| 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 | 24.3 | Very low | 63.7 | Low | 246 Ų | 246 | 89 Ų | 89 | 100% | 1.212 | 55% | 0.546 | S | S | * | . | 0 | 106.8 | 0 | -71.8 | 176.3 | -176.8 | 0 | 0 | 105.8 | |||||
| 2 | A | 27.4 | Very low | 66.4 | Low | 89 Ų | 89 | 82.5 Ų | 82.5 | 74% | 0.736 | 50% | 0.504 | S | S | * | . | trans | -74.4 | 140 | 176.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | T4 | A2-T4 PolarHBondContact O-N 3.5Š| ||
| 3 | E | 31.1 | Very low | 68.3 | Low | 167 Ų | 167 | 76.5 Ų | 76.5 | 78% | 0.78 | 47% | 0.468 | S | S | * | . | trans | -51.1 | 130.8 | 172.8 | -71.4 | 178.1 | 151.3 | 0 | 0 | 109.8 | G5 A6 | E3-G5 PolarHBondContact O-N 3.47Å; E3-A6 PolarHBondContact O-N 2.98Å; E3-A6 VanDerWaalsContact O-N 3.11Å | ||
| 4 | T | 38.6 | Very low | 70.1 | Confident | 154 Ų | 154 | 72.4 Ų | 72.4 | 95% | 0.945 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 105.1 | 173.4 | 37.7 | 0 | 0 | 0 | 0 | 109.5 | A2 | A2-T4 PolarHBondContact O-N 3.5Š|
| 5 | G | 55.3 | Low | 71.8 | Confident | 70 Ų | 70 | 67.6 Ų | 67.6 | 72% | 0.722 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 124.7 | -11.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | E3 | E3-G5 PolarHBondContact O-N 3.47Š|
| 6 | A | 76.4 | Confident | 73.2 | Confident | 67 Ų | 67 | 63.6 Ų | 63.6 | 55% | 0.554 | 39% | 0.386 | S | S | * | . | trans | -82.2 | 126.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | E3 | E3-A6 PolarHBondContact O-N 2.98Å; E3-A6 VanDerWaalsContact O-N 3.11Å | ||
| 7 | I | 87.8 | Confident | 74.3 | Confident | 36 Ų | 36 | 61.5 Ų | 61.5 | 19% | 0.185 | 37% | 0.37 | C | S | . | . | trans | -72.4 | 131.9 | 174.7 | -62 | 165.5 | 0 | 0 | 0 | 109.2 | E9 Y12 L16 H21 M24 R25 | I7-E9 PolarHBondContact O-N 3.28Å; I7-Y12 HydrophobicContact CG2-CD2 3.94Å; I7-L16 HydrophobicContact CD1-CD2 4.39Å; I7-L16 HydrophobicContact CG2-CD1 4.17Å; I7-L16 HydrophobicContact CG2-CD2 4.22Å; I7-H21 HydrophobicContact CD1-CB 4.09Å; I7-H21 WeakPolarHBondContact CD1-O 3.46Å; I7-M24 HydrophobicContact CD1-CB 3.59Å; I7-M24 HydrophobicContact CG1-CB 4.39Å; I7-M24 HydrophobicContact CG2-CE 4.36Å; I7-R25 HydrophobicContact CD1-CG 3.98Å | ||
| 8 | D | 91.2 | Very high | 75.4 | Confident | 30 Ų | 30 | 58.8 Ų | 58.8 | 16% | 0.16 | 35% | 0.353 | C | S | . | . | trans | -72.7 | 85.9 | 173.2 | -175.7 | -13.2 | 0 | 0 | 0 | 110.6 | G10 F11 Y12 H98 R464 | D8-G10 PolarHBondContact O-N 2.85Å; D8-G10 PolarHBondContact OD1-N 3.14Å; D8-F11 HydrophobicContact CB-CB 4.18Å; D8-F11 PolarHBondContact O-N 2.78Å; D8-F11 VanDerWaalsContact O-N 3.14Å; D8-F11 PolarHBondContact OD1-N 3.46Å; D8-Y12 HydrophobicContact CB-CD2 4.23Å; D8-Y12 HydrophobicContact CB-CE2 4.41Å; D8-Y12 WeakPolarHBondContact O-CD2 3.22Å; D8-Y12 PolarHBondContact O-N 3.42Å; D8-H98 IonicContact OD2-CE1 2.71Å; D8-H98 IonicContact OD2-NE2 3.26Å; D8-H98 PolarHBondContact OD2-NE2 3.2Å; D8-R464 IonicContact OD1-CZ 2.98Å; D8-R464 IonicContact OD1-NE 2.78Å; D8-R464 IonicContact OD1-NH2 2.64Å; D8-R464 PolarHBondContact OD1-NH2 3.49Å; D8-R464 IonicContact OD2-CZ 3.97Å; D8-R464 IonicContact OD2-NE 3.54Å; D8-R464 IonicContact OD2-NH2 3.49Å; D8-R464 PolarHBondContact OD2-NH2 3.25Å | ||
| 9 | E | 88.5 | Confident | 76.4 | Confident | 86 Ų | 86 | 55.8 Ų | 55.8 | 40% | 0.402 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.3 | -27.2 | -179.7 | -60.7 | -164.9 | 171.4 | 0 | 0 | 112.9 | I7 S13 L16 H21 H842 | I7-E9 PolarHBondContact O-N 3.28Å; E9-S13 WeakPolarHBondContact O-CA 3.33Å; E9-S13 WeakPolarHBondContact O-CB 3.46Å; E9-S13 PolarHBondContact O-N 3.14Å; E9-L16 HydrophobicContact CB-CD1 4.12Å; E9-L16 HydrophobicContact CG-CD1 3.87Å; E9-H21 IonicContact OE1-CD2 2.99Å; E9-H21 IonicContact OE1-CE1 3.92Å; E9-H21 IonicContact OE1-NE2 3.69Å; E9-H21 PolarHBondContact OE1-NE2 3.19Å; E9-H842 IonicContact OE2-CD2 3.1Å |
| 10 | G | 87.8 | Confident | 77.2 | Confident | 28 Ų | 28 | 54.2 Ų | 54.2 | 29% | 0.289 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.4 | -36.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D8 S465 | D8-G10 PolarHBondContact O-N 2.85Å; D8-G10 PolarHBondContact OD1-N 3.14Å; G10-S465 VanDerWaalsContact O-CA 3.3Å; G10-S465 WeakPolarHBondContact O-CA 3.2Å; G10-S465 PolarHBondContact O-N 2.9Å |
| 11 | F | 92.8 | Very high | 77.9 | Confident | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.026 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -81.7 | -47.4 | 175 | -173.5 | -92.8 | 0 | 0 | 0 | 112 | D8 N96 L467 N468 | D8-F11 HydrophobicContact CB-CB 4.18Å; D8-F11 PolarHBondContact O-N 2.78Å; D8-F11 VanDerWaalsContact O-N 3.14Å; D8-F11 PolarHBondContact OD1-N 3.46Å; F11-N96 HydrophobicContact CZ-CB 4.37Å; F11-L467 HydrophobicContact CD2-CB 4.09Å; F11-L467 HydrophobicContact CE2-CB 3.55Å; F11-L467 HydrophobicContact CE2-CD1 4.42Å; F11-L467 HydrophobicContact CZ-CB 4.36Å; F11-N468 HydrophobicContact CD1-CB 4.06Å; F11-N468 HydrophobicContact CE1-CB 3.83Å; F11-N468 HydrophobicContact CZ-CB 4.25Å; F11-N468 VanDerWaalsContact O-CB 3.23Å; F11-N468 WeakPolarHBondContact O-CB 3.46Å |
| 12 | Y | 95.4 | Very high | 81.1 | Confident | 11 Ų | 11 | 47.4 Ų | 47.4 | 4% | 0.043 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -91 | 5 | -173 | -64.1 | -70.6 | 0 | 0 | 0 | 114.8 | I7 D8 R14 Q15 L16 M24 G52 N96 H98 | I7-Y12 HydrophobicContact CG2-CD2 3.94Å; D8-Y12 HydrophobicContact CB-CD2 4.23Å; D8-Y12 HydrophobicContact CB-CE2 4.41Å; D8-Y12 WeakPolarHBondContact O-CD2 3.22Å; D8-Y12 PolarHBondContact O-N 3.42Å; Y12-R14 VanDerWaalsContact C-N 3.33Å; Y12-R14 PolarHBondContact O-N 3.35Å; Y12-R14 VanDerWaalsContact O-N 3.07Å; Y12-Q15 CarbonylContact O-C 3.59Å; Y12-Q15 PolarHBondContact O-N 2.85Å; Y12-L16 PolarHBondContact O-N 3.06Å; Y12-M24 HydrophobicContact CD1-CE 3.5Å; Y12-M24 VanDerWaalsContact CD1-CE 3.5Å; Y12-M24 HydrophobicContact CD2-CE 3.83Å; Y12-M24 HydrophobicContact CE1-CE 3.81Å; Y12-M24 HydrophobicContact CE2-CE 4.12Å; Y12-M24 HydrophobicContact CG-CE 3.51Å; Y12-G52 VanDerWaalsContact OH-CA 3.25Å; Y12-G52 WeakPolarHBondContact OH-CA 3.46Å; Y12-N96 PolarHBondContact OH-ND2 3.4Å; Y12-N96 PolarHBondContact OH-OD1 3.25Å; Y12-H98 AromaticContact CE2-CD2 3.97Å |
| 13 | S | 91.6 | Very high | 84.3 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 3% | 0.028 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -40.6 | -53.9 | -172 | -178.4 | 0 | 0 | 0 | 0 | 114.3 | E9 L16 Y17 | E9-S13 WeakPolarHBondContact O-CA 3.33Å; E9-S13 WeakPolarHBondContact O-CB 3.46Å; E9-S13 PolarHBondContact O-N 3.14Å; S13-L16 PolarHBondContact O-N 2.58Å; S13-Y17 WeakPolarHBondContact O-CD2 3.47Å; S13-Y17 VanDerWaalsContact O-CE2 3.29Å; S13-Y17 WeakPolarHBondContact O-CE2 3.32Å |
| 14 | R | 92.8 | Very high | 87.4 | Confident | 20 Ų | 20 | 35.8 Ų | 35.8 | 8% | 0.075 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -74.9 | -30 | -173.9 | -49.7 | -50.2 | 174.6 | 125.9 | -2.3 | 113.1 | Y12 D813 I851 A854 | Y12-R14 VanDerWaalsContact C-N 3.33Å; Y12-R14 PolarHBondContact O-N 3.35Å; Y12-R14 VanDerWaalsContact O-N 3.07Å; R14-D813 IonicContact CZ-OD2 2.74Å; R14-D813 IonicContact NH2-OD1 3.28Å; R14-D813 IonicContact NH2-OD2 3.34Å; R14-D813 PolarHBondContact NH2-OD2 3.44Å; R14-I851 VanDerWaalsContact NH1-CG1 3.32Å; R14-A854 CarbonylContact C-O 3.48Å; R14-A854 VanDerWaalsContact C-O 3.32Å; R14-A854 HydrophobicContact CB-CB 4.38Å; R14-A854 PolarHBondContact O-N 2.87Å |
| 15 | Q | 95.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -76.1 | -32.6 | 175.8 | -176.5 | 176.4 | -72.3 | 0 | 0 | 111.8 | Y12 Y17 V18 L19 M24 S51 N468 A854 I855 | Y12-Q15 CarbonylContact O-C 3.59Å; Y12-Q15 PolarHBondContact O-N 2.85Å; Q15-Y17 PolarHBondContact O-N 2.82Å; Q15-V18 WeakPolarHBondContact O-CA 3.47Å; Q15-V18 WeakPolarHBondContact O-CB 3.38Å; Q15-V18 PolarHBondContact O-N 3.22Å; Q15-L19 HydrophobicContact CG-CD1 3.71Å; Q15-L19 HydrophobicContact CG-CG 4.12Å; Q15-L19 PolarHBondContact O-N 3.07Å; Q15-M24 HydrophobicContact CG-SD 4.42Å; Q15-M24 PolarHBondContact NE2-SD 3.1Å; Q15-S51 PolarHBondContact NE2-O 3.35Å; Q15-N468 WeakPolarHBondContact CB-OD1 3.42Å; Q15-N468 PolarHBondContact OE1-ND2 2.96Å; Q15-A854 PolarHBondContact N-O 3.36Å; Q15-I855 HydrophobicContact CG-CD1 3.98Å; Q15-I855 HydrophobicContact CG-CG1 4.14Å |
| 16 | L | 94.5 | Very high | 92 | Very high | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60 | -35.9 | 174.9 | -82 | 167.2 | 0 | 0 | 0 | 112 | I7 E9 Y12 S13 V18 G20 M24 | I7-L16 HydrophobicContact CD1-CD2 4.39Å; I7-L16 HydrophobicContact CG2-CD1 4.17Å; I7-L16 HydrophobicContact CG2-CD2 4.22Å; E9-L16 HydrophobicContact CB-CD1 4.12Å; E9-L16 HydrophobicContact CG-CD1 3.87Å; Y12-L16 PolarHBondContact O-N 3.06Å; S13-L16 PolarHBondContact O-N 2.58Å; L16-V18 PolarHBondContact O-N 3.45Å; L16-G20 VanDerWaalsContact O-CA 3.23Å; L16-G20 WeakPolarHBondContact O-CA 3.36Å; L16-G20 PolarHBondContact O-N 2.97Å; L16-M24 HydrophobicContact CD2-CB 4.39Å; L16-M24 HydrophobicContact CD2-CG 3.81Å |
| 17 | Y | 92.4 | Very high | 93 | Very high | 29 Ų | 29 | 32 Ų | 32 | 11% | 0.114 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -72.1 | -8.1 | 173.7 | -57.7 | -56.7 | 0 | 0 | 0 | 114.5 | S13 Q15 H842 R846 I851 | S13-Y17 WeakPolarHBondContact O-CD2 3.47Å; S13-Y17 VanDerWaalsContact O-CE2 3.29Å; S13-Y17 WeakPolarHBondContact O-CE2 3.32Å; Q15-Y17 PolarHBondContact O-N 2.82Å; Y17-H842 AromaticContact CD1-CE1 3.45Å; Y17-H842 VanDerWaalsContact CD1-CE1 3.45Å; Y17-H842 WeakPolarHBondContact CD1-CE1 3.32Å; Y17-H842 AromaticContact CD1-NE2 3.8Å; Y17-H842 AromaticContact CE1-CD2 3.85Å; Y17-H842 AromaticContact CE1-CE1 3.1Å; Y17-H842 WeakPolarHBondContact CE1-CE1 3.44Å; Y17-H842 AromaticContact CE1-CG 3.98Å; Y17-H842 AromaticContact CE1-ND1 3.54Å; Y17-H842 AromaticContact CE1-NE2 3.29Å; Y17-H842 VanDerWaalsContact CE1-NE2 3.29Å; Y17-H842 WeakPolarHBondContact CE1-NE2 3.28Å; Y17-H842 AromaticContact CZ-CD2 3.95Å; Y17-H842 AromaticContact CZ-CE1 3.92Å; Y17-H842 AromaticContact CZ-NE2 3.63Å; Y17-H842 PolarHBondContact OH-O 3.22Å; Y17-R846 HydrophobicContact CD1-CB 4.06Å; Y17-R846 HydrophobicContact CD1-CG 3.74Å; Y17-R846 HydrophobicContact CD2-CG 4.34Å; Y17-R846 HydrophobicContact CE1-CB 3.43Å; Y17-R846 VanDerWaalsContact CE1-CB 3.43Å; Y17-R846 HydrophobicContact CE1-CG 3.65Å; Y17-R846 HydrophobicContact CE2-CB 4.37Å; Y17-R846 HydrophobicContact CE2-CG 4.31Å; Y17-R846 HydrophobicContact CG-CG 4.08Å; Y17-R846 PolarHBondContact OH-N 3.28Å; Y17-I851 HydrophobicContact CD2-CB 4.49Å; Y17-I851 HydrophobicContact CD2-CG2 3.47Å; Y17-I851 VanDerWaalsContact CD2-CG2 3.47Å; Y17-I851 HydrophobicContact CE2-CB 4.15Å; Y17-I851 HydrophobicContact CE2-CD1 3.88Å; Y17-I851 HydrophobicContact CE2-CG2 3.43Å; Y17-I851 VanDerWaalsContact CE2-CG2 3.43Å |
| 18 | V | 94.3 | Very high | 93.3 | Very high | 12 Ų | 12 | 32.9 Ų | 32.9 | 7% | 0.073 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -98.6 | -47.3 | 175.1 | -176 | 0 | 0 | 0 | 0 | 110.7 | Q15 L16 F371 P853 I855 | Q15-V18 WeakPolarHBondContact O-CA 3.47Å; Q15-V18 WeakPolarHBondContact O-CB 3.38Å; Q15-V18 PolarHBondContact O-N 3.22Å; L16-V18 PolarHBondContact O-N 3.45Å; V18-F371 HydrophobicContact CG1-CE2 4.4Å; V18-F371 HydrophobicContact CG1-CZ 3.95Å; V18-P853 HydrophobicContact CG2-CB 3.69Å; V18-I855 HydrophobicContact CG1-CG2 4.38Å |
| 19 | L | 94.5 | Very high | 93.5 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -97.1 | -36.5 | -172 | -58 | -178.5 | 0 | 0 | 0 | 112.8 | Q15 A23 M24 M27 I364 K370 F371 I855 | Q15-L19 HydrophobicContact CG-CD1 3.71Å; Q15-L19 HydrophobicContact CG-CG 4.12Å; Q15-L19 PolarHBondContact O-N 3.07Å; L19-A23 HydrophobicContact CB-CB 4.05Å; L19-A23 WeakPolarHBondContact O-CB 3.15Å; L19-M24 HydrophobicContact CB-CG 4.41Å; L19-M24 HydrophobicContact CD1-SD 3.94Å; L19-M27 HydrophobicContact CD1-CE 4.05Å; L19-M27 HydrophobicContact CD1-SD 3.75Å; L19-I364 HydrophobicContact CD1-CG2 4.07Å; L19-I364 HydrophobicContact CD2-CG2 3.89Å; L19-K370 WeakPolarHBondContact O-CD 3.31Å; L19-K370 WeakPolarHBondContact O-CE 3.41Å; L19-K370 PolarHBondContact O-NZ 2.96Å; L19-F371 HydrophobicContact CD2-CD2 4.43Å; L19-F371 HydrophobicContact CD2-CE2 3.52Å; L19-F371 HydrophobicContact CD2-CZ 4.11Å; L19-I855 HydrophobicContact CD1-CD1 4.13Å; L19-I855 HydrophobicContact CD2-CD1 4.3Å; L19-I855 HydrophobicContact CG-CD1 4.31Å |
| 20 | G | 91.6 | Very high | 94 | Very high | 24 Ų | 24 | 32.1 Ų | 32.1 | 25% | 0.247 | 17% | 0.172 | C | C | . | . | trans | 81.7 | 159.5 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L16 E22 A23 M24 | L16-G20 VanDerWaalsContact O-CA 3.23Å; L16-G20 WeakPolarHBondContact O-CA 3.36Å; L16-G20 PolarHBondContact O-N 2.97Å; G20-E22 VanDerWaalsContact C-N 3.3Å; G20-E22 PolarHBondContact O-N 2.78Å; G20-A23 PolarHBondContact O-N 2.82Å; G20-M24 WeakPolarHBondContact O-CG 3.24Å; G20-M24 PolarHBondContact O-N 3.22Å | ||
| 21 | H | 91.6 | Very high | 94.5 | Very high | 50 Ų | 50 | 33.3 Ų | 33.3 | 23% | 0.231 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.3 | -38.2 | -178.2 | -67.1 | 69.1 | 0 | 0 | 0 | 113 | I7 E9 M24 R25 H842 | I7-H21 HydrophobicContact CD1-CB 4.09Å; I7-H21 WeakPolarHBondContact CD1-O 3.46Å; E9-H21 IonicContact OE1-CD2 2.99Å; E9-H21 IonicContact OE1-CE1 3.92Å; E9-H21 IonicContact OE1-NE2 3.69Å; E9-H21 PolarHBondContact OE1-NE2 3.19Å; H21-M24 WeakPolarHBondContact O-CB 3.4Å; H21-M24 PolarHBondContact O-N 3.27Å; H21-R25 WeakPolarHBondContact O-CG 3.45Å; H21-R25 PolarHBondContact O-N 3.24Å; H21-H842 AromaticContact CE1-CE1 3.74Å; H21-H842 AromaticContact CE1-ND1 3.94Å; H21-H842 AromaticContact CE1-NE2 3.83Å |
| 22 | E | 91.2 | Very high | 94.8 | Very high | 108 Ų | 108 | 33 Ų | 33 | 51% | 0.505 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -67.6 | -44.6 | -175.8 | -170.8 | 57.5 | -160.2 | 0 | 0 | 112.5 | G20 M24 R25 R26 | G20-E22 VanDerWaalsContact C-N 3.3Å; G20-E22 PolarHBondContact O-N 2.78Å; E22-M24 VanDerWaalsContact C-N 3.3Å; E22-M24 PolarHBondContact O-N 3.27Å; E22-R25 PolarHBondContact O-N 2.98Å; E22-R25 IonicContact OE2-NH1 3.98Å; E22-R25 PolarHBondContact OE2-NH1 3.26Å; E22-R26 PolarHBondContact O-N 3.26Å; E22-R26 VanDerWaalsContact O-N 3.14Å |
| 23 | A | 94.7 | Very high | 94.9 | Very high | 7 Ų | 7 | 32.5 Ų | 32.5 | 6% | 0.058 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.9 | -43 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L19 G20 R25 R26 M27 K370 | L19-A23 HydrophobicContact CB-CB 4.05Å; L19-A23 WeakPolarHBondContact O-CB 3.15Å; G20-A23 PolarHBondContact O-N 2.82Å; A23-R25 PolarHBondContact O-N 3.17Å; A23-R26 PolarHBondContact O-N 2.81Å; A23-M27 VanDerWaalsContact O-CG 3.26Å; A23-M27 WeakPolarHBondContact O-CG 3.41Å; A23-M27 PolarHBondContact O-N 2.98Å; A23-K370 HydrophobicContact CB-CB 4.01Å; A23-K370 HydrophobicContact CB-CD 4.3Å; A23-K370 HydrophobicContact CB-CG 4.35Å |
| 24 | M | 95.9 | Very high | 95.3 | Very high | 5 Ų | 5 | 32.3 Ų | 32.3 | 3% | 0.025 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.1 | -40.3 | 176.5 | -74.8 | -68.7 | -63.3 | 0 | 0 | 112.9 | I7 Y12 Q15 L16 L19 G20 H21 E22 M27 A28 | I7-M24 HydrophobicContact CD1-CB 3.59Å; I7-M24 HydrophobicContact CG1-CB 4.39Å; I7-M24 HydrophobicContact CG2-CE 4.36Å; Y12-M24 HydrophobicContact CD1-CE 3.5Å; Y12-M24 VanDerWaalsContact CD1-CE 3.5Å; Y12-M24 HydrophobicContact CD2-CE 3.83Å; Y12-M24 HydrophobicContact CE1-CE 3.81Å; Y12-M24 HydrophobicContact CE2-CE 4.12Å; Y12-M24 HydrophobicContact CG-CE 3.51Å; Q15-M24 HydrophobicContact CG-SD 4.42Å; Q15-M24 PolarHBondContact NE2-SD 3.1Å; L16-M24 HydrophobicContact CD2-CB 4.39Å; L16-M24 HydrophobicContact CD2-CG 3.81Å; L19-M24 HydrophobicContact CB-CG 4.41Å; L19-M24 HydrophobicContact CD1-SD 3.94Å; G20-M24 WeakPolarHBondContact O-CG 3.24Å; G20-M24 PolarHBondContact O-N 3.22Å; H21-M24 WeakPolarHBondContact O-CB 3.4Å; H21-M24 PolarHBondContact O-N 3.27Å; E22-M24 VanDerWaalsContact C-N 3.3Å; E22-M24 PolarHBondContact O-N 3.27Å; M24-M27 PolarHBondContact O-N 2.97Å; M24-M27 HydrophobicContact SD-CE 4.42Å; M24-M27 HydrophobicContact SD-SD 4.4Å; M24-A28 WeakPolarHBondContact O-CB 3.32Å; M24-A28 PolarHBondContact O-N 3.15Å |
| 25 | R | 95.5 | Very high | 95.6 | Very high | 130 Ų | 130 | 31.5 Ų | 31.5 | 49% | 0.491 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -63 | -42.4 | 175.7 | -73.1 | -179.9 | -165.5 | 131.4 | -0.4 | 111.9 | I7 H21 E22 A23 A28 | I7-R25 HydrophobicContact CD1-CG 3.98Å; H21-R25 WeakPolarHBondContact O-CG 3.45Å; H21-R25 PolarHBondContact O-N 3.24Å; E22-R25 PolarHBondContact O-N 2.98Å; E22-R25 IonicContact OE2-NH1 3.98Å; E22-R25 PolarHBondContact OE2-NH1 3.26Å; A23-R25 PolarHBondContact O-N 3.17Å; R25-A28 PolarHBondContact O-N 3.33Å |
| 26 | R | 95.4 | Very high | 95.7 | Very high | 81 Ų | 81 | 32 Ų | 32 | 31% | 0.306 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -61.9 | -47.6 | 175.5 | -67.3 | -178.6 | 68.2 | 175.5 | 11.1 | 110.9 | E22 A23 A28 T29 S368 | E22-R26 PolarHBondContact O-N 3.26Å; E22-R26 VanDerWaalsContact O-N 3.14Å; A23-R26 PolarHBondContact O-N 2.81Å; R26-A28 VanDerWaalsContact C-N 3.31Å; R26-A28 PolarHBondContact O-N 3.22Å; R26-T29 PolarHBondContact O-N 3.26Å; R26-T29 VanDerWaalsContact O-N 3.12Å; R26-T29 PolarHBondContact O-OG1 2.92Å; R26-S368 WeakPolarHBondContact CD-O 3.34Å; R26-S368 VanDerWaalsContact CZ-O 3.24Å; R26-S368 PolarHBondContact NE-O 3.38Å; R26-S368 PolarHBondContact NH1-O 2.84Å |
| 27 | M | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.1 | -40.2 | 177.4 | -69.8 | 165.5 | 60.1 | 0 | 0 | 112.9 | L19 A23 M24 T29 A30 S51 V53 K54 I364 | L19-M27 HydrophobicContact CD1-CE 4.05Å; L19-M27 HydrophobicContact CD1-SD 3.75Å; A23-M27 VanDerWaalsContact O-CG 3.26Å; A23-M27 WeakPolarHBondContact O-CG 3.41Å; A23-M27 PolarHBondContact O-N 2.98Å; M24-M27 PolarHBondContact O-N 2.97Å; M24-M27 HydrophobicContact SD-CE 4.42Å; M24-M27 HydrophobicContact SD-SD 4.4Å; M27-T29 PolarHBondContact O-N 3.1Å; M27-A30 WeakPolarHBondContact O-CB 3.46Å; M27-A30 PolarHBondContact O-N 2.89Å; M27-S51 WeakPolarHBondContact CE-O 3.27Å; M27-V53 VanDerWaalsContact O-CA 3.28Å; M27-V53 WeakPolarHBondContact O-CA 3.45Å; M27-K54 PolarHBondContact O-N 3.48Å; M27-I364 HydrophobicContact CE-CB 4.49Å; M27-I364 HydrophobicContact CE-CG1 3.99Å; M27-I364 HydrophobicContact CE-CG2 4.07Å; M27-I364 HydrophobicContact SD-CG2 3.8Å |
| 28 | A | 95.1 | Very high | 96.1 | Very high | 55 Ų | 55 | 33.3 Ų | 33.3 | 46% | 0.455 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -10.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | M24 R25 R26 K54 | M24-A28 WeakPolarHBondContact O-CB 3.32Å; M24-A28 PolarHBondContact O-N 3.15Å; R25-A28 PolarHBondContact O-N 3.33Å; R26-A28 VanDerWaalsContact C-N 3.31Å; R26-A28 PolarHBondContact O-N 3.22Å; A28-K54 VanDerWaalsContact O-CB 3.27Å; A28-K54 WeakPolarHBondContact O-CB 3.42Å |
| 29 | T | 96.1 | Very high | 96.3 | Very high | 95 Ų | 95 | 32.8 Ų | 32.8 | 58% | 0.583 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | -9.4 | 173.2 | 68 | 0 | 0 | 0 | 0 | 114 | R26 M27 K54 | R26-T29 PolarHBondContact O-N 3.26Å; R26-T29 VanDerWaalsContact O-N 3.12Å; R26-T29 PolarHBondContact O-OG1 2.92Å; M27-T29 PolarHBondContact O-N 3.1Å; T29-K54 WeakPolarHBondContact O-CD 3.13Å |
| 30 | A | 97.4 | Very high | 96.5 | Very high | 5 Ų | 5 | 32.8 Ų | 32.8 | 4% | 0.041 | 17% | 0.171 | C | C | . | . | trans | -84 | 130.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | M27 K54 S55 | M27-A30 WeakPolarHBondContact O-CB 3.46Å; M27-A30 PolarHBondContact O-N 2.89Å; A30-K54 WeakPolarHBondContact O-CA 3.42Å; A30-K54 WeakPolarHBondContact O-CB 3.48Å; A30-K54 PolarHBondContact O-N 2.85Å; A30-S55 PolarHBondContact O-N 3.29Å | ||
| 31 | E | 98.6 | Very high | 96.8 | Very high | 52 Ų | 52 | 31.6 Ų | 31.6 | 24% | 0.243 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 120.1 | 174.4 | -59.1 | 177.4 | 131.3 | 0 | 0 | 108.6 | K54 Y116 Q117 V118 | E31-K54 VanDerWaalsContact CD-NZ 3.34Å; E31-K54 HydrophobicContact CG-CB 4.48Å; E31-K54 HydrophobicContact CG-CD 3.8Å; E31-K54 IonicContact OE1-NZ 2.84Å; E31-K54 PolarHBondContact OE1-NZ 3.02Å; E31-K54 IonicContact OE2-NZ 3.75Å; E31-Y116 HydrophobicContact CB-CD1 4.08Å; E31-Q117 PolarHBondContact O-N 3.21Å; E31-Q117 PolarHBondContact OE2-NE2 3.32Å; E31-V118 PolarHBondContact O-N 3.38Å |
| 32 | V | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 132.5 | -173.5 | -175.3 | 0 | 0 | 0 | 0 | 110 | I34 V48 V53 S55 V56 T57 V118 V363 | V32-I34 HydrophobicContact CG1-CG1 4.15Å; V32-V48 HydrophobicContact CB-CG1 4.41Å; V32-V48 HydrophobicContact CG1-CG1 4.34Å; V32-V48 HydrophobicContact CG2-CG1 4.21Å; V32-V53 HydrophobicContact CG2-CB 4.29Å; V32-V53 HydrophobicContact CG2-CG1 4.14Å; V32-V53 HydrophobicContact CG2-CG2 4.18Å; V32-S55 PolarHBondContact N-O 2.83Å; V32-V56 HydrophobicContact CB-CG2 4.49Å; V32-V56 CarbonylContact O-C 3.46Å; V32-V56 WeakPolarHBondContact O-CA 3.43Å; V32-T57 PolarHBondContact O-N 3.12Å; V32-V118 WeakPolarHBondContact CA-O 3.49Å; V32-V118 HydrophobicContact CG1-CB 4.33Å; V32-V118 HydrophobicContact CG2-CB 4.3Å; V32-V363 HydrophobicContact CG1-CG1 3.94Å; V32-V363 HydrophobicContact CG2-CG1 3.88Å |
| 33 | L | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 130.8 | 168.9 | 178.5 | 66.8 | 0 | 0 | 0 | 109.8 | T57 Q59 L108 L113 Y116 V118 V119 V120 | L33-T57 WeakPolarHBondContact CA-O 3.28Å; L33-T57 HydrophobicContact CD1-CG2 3.9Å; L33-Q59 HydrophobicContact CD1-CB 3.97Å; L33-L108 HydrophobicContact CD2-CD2 3.93Å; L33-L113 HydrophobicContact CD2-CD2 3.46Å; L33-L113 VanDerWaalsContact CD2-CD2 3.46Å; L33-Y116 HydrophobicContact CB-CD1 3.84Å; L33-Y116 HydrophobicContact CB-CD2 3.71Å; L33-Y116 HydrophobicContact CB-CE1 4.09Å; L33-Y116 HydrophobicContact CB-CE2 3.97Å; L33-Y116 HydrophobicContact CB-CG 3.64Å; L33-Y116 HydrophobicContact CD1-CE2 4.1Å; L33-Y116 HydrophobicContact CD2-CD2 3.97Å; L33-Y116 HydrophobicContact CD2-CE2 3.98Å; L33-Y116 HydrophobicContact CG-CD2 4.33Å; L33-Y116 HydrophobicContact CG-CE2 4.25Å; L33-V118 PolarHBondContact N-O 3.46Å; L33-V119 HydrophobicContact CB-CG2 4.33Å; L33-V119 HydrophobicContact CD2-CG1 4.33Å; L33-V119 HydrophobicContact CD2-CG2 4.4Å; L33-V120 PolarHBondContact O-N 3.21Å |
| 34 | I | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 114.2 | 172.9 | -57.7 | 170.9 | 0 | 0 | 0 | 107.8 | V32 M37 I44 A45 V56 T57 V58 Q59 V120 | V32-I34 HydrophobicContact CG1-CG1 4.15Å; I34-M37 HydrophobicContact CG2-SD 4.47Å; I34-I44 HydrophobicContact CD1-CB 4.44Å; I34-I44 HydrophobicContact CD1-CG2 3.86Å; I34-I44 HydrophobicContact CG1-CG2 4.38Å; I34-A45 VanDerWaalsContact CD1-CA 3.42Å; I34-A45 HydrophobicContact CD1-CB 3.71Å; I34-V56 HydrophobicContact CD1-CG1 3.83Å; I34-V56 HydrophobicContact CG1-CG1 4.39Å; I34-T57 PolarHBondContact N-O 3.27Å; I34-V58 CarbonylContact O-C 3.49Å; I34-V58 WeakPolarHBondContact O-CA 3.26Å; I34-Q59 PolarHBondContact O-N 3.41Å; I34-V120 HydrophobicContact CG1-CB 4.33Å; I34-V120 HydrophobicContact CG1-CG2 4.37Å |
| 35 | A | 98.5 | Very high | 97.9 | Very high | 3 Ų | 3 | 23.7 Ų | 23.7 | 3% | 0.025 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 129.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q59 L108 V120 L121 T122 | A35-Q59 CarbonylContact C-O 3.53Å; A35-Q59 WeakPolarHBondContact CA-O 3.39Å; A35-Q59 HydrophobicContact CB-CB 4.35Å; A35-L108 HydrophobicContact CB-CD1 3.78Å; A35-L108 HydrophobicContact CB-CD2 4.2Å; A35-L108 HydrophobicContact CB-CG 4.42Å; A35-V120 PolarHBondContact N-O 3.4Å; A35-L121 HydrophobicContact CB-CD2 3.89Å; A35-T122 PolarHBondContact O-N 3.29Å; A35-T122 PolarHBondContact O-OG1 2.87Å |
| 36 | G | 97.9 | Very high | 98.1 | Very high | 11 Ų | 11 | 17.5 Ų | 17.5 | 11% | 0.113 | 10% | 0.098 | C | C | . | . | trans | 90.5 | 125.4 | -166.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | G41 Q59 T122 | G36-G41 WeakPolarHBondContact O-CA 3.3Å; G36-Q59 PolarHBondContact N-O 2.89Å; G36-T122 WeakPolarHBondContact CA-OG1 3.37Å; G36-T122 PolarHBondContact O-OG1 3.21Å | ||
| 37 | M | 98 | Very high | 98.2 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.083 | C | C | . | . | trans | -125.1 | 38.1 | -175.4 | -73 | -52.6 | -47.5 | 0 | 0 | 114.2 | I34 V42 V58 D60 R84 A85 L92 | I34-M37 HydrophobicContact CG2-SD 4.47Å; M37-V42 VanDerWaalsContact CE-CA 3.47Å; M37-V42 HydrophobicContact CE-CB 3.63Å; M37-V42 HydrophobicContact CE-CG2 4.08Å; M37-V58 HydrophobicContact CE-CG1 4.2Å; M37-V58 HydrophobicContact CG-CB 3.78Å; M37-V58 HydrophobicContact CG-CG1 4.38Å; M37-V58 HydrophobicContact CG-CG2 4.44Å; M37-V58 HydrophobicContact SD-CB 3.55Å; M37-V58 VanDerWaalsContact SD-CB 3.55Å; M37-V58 HydrophobicContact SD-CG1 3.48Å; M37-V58 WeakPolarHBondContact SD-CG1 3.39Å; M37-D60 WeakPolarHBondContact CA-OD2 3.42Å; M37-D60 HydrophobicContact CB-CB 3.94Å; M37-D60 WeakPolarHBondContact CB-OD2 3.47Å; M37-D60 HydrophobicContact CG-CB 4.19Å; M37-D60 PolarHBondContact N-OD2 3.18Å; M37-R84 HydrophobicContact CB-CB 4.06Å; M37-A85 HydrophobicContact CG-CB 4.15Å; M37-L92 HydrophobicContact CE-CD1 4.37Å | ||
| 38 | K | 98.3 | Very high | 98.3 | Very high | 60 Ų | 60 | 13.7 Ų | 13.7 | 26% | 0.261 | 8% | 0.083 | S | C | . | . | S | Bend | trans | -76 | -167.7 | 160.7 | -61.6 | -161.4 | -176.6 | 174.7 | 0 | 111.3 | L40 G41 V42 D68 D123 | K38-L40 VanDerWaalsContact C-N 3.33Å; K38-L40 PolarHBondContact O-N 3.33Å; K38-G41 PolarHBondContact O-N 3.04Å; K38-V42 PolarHBondContact O-N 3.38Å; K38-D68 VanDerWaalsContact CD-OD1 3.26Å; K38-D68 WeakPolarHBondContact CD-OD1 3.43Å; K38-D68 VanDerWaalsContact CE-OD1 3.28Å; K38-D68 WeakPolarHBondContact CE-OD1 3.49Å; K38-D68 WeakPolarHBondContact CG-OD1 3.38Å; K38-D123 WeakPolarHBondContact CD-OD2 3.06Å |
| 39 | G | 98.4 | Very high | 98.5 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -53.4 | -44.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | V42 E43 S71 | G39-V42 VanDerWaalsContact O-CG1 3.26Å; G39-V42 WeakPolarHBondContact O-CG1 3.44Å; G39-E43 WeakPolarHBondContact O-CB 3.36Å; G39-E43 PolarHBondContact O-N 3.04Å; G39-S71 WeakPolarHBondContact CA-OG 3.48Å; G39-S71 PolarHBondContact N-OG 3.4Å |
| 40 | L | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 6.5 Ų | 6.5 | 1% | 0.01 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -63.3 | -48.3 | 179.1 | -177.6 | 58.8 | 0 | 0 | 0 | 111.7 | K38 V42 E43 I44 T122 V146 T148 N352 F355 | K38-L40 VanDerWaalsContact C-N 3.33Å; K38-L40 PolarHBondContact O-N 3.33Å; L40-V42 PolarHBondContact O-N 3.25Å; L40-E43 PolarHBondContact O-N 3.3Å; L40-I44 HydrophobicContact CD1-CD1 4.21Å; L40-I44 HydrophobicContact CG-CD1 4.08Å; L40-I44 WeakPolarHBondContact O-CD1 3.49Å; L40-I44 VanDerWaalsContact O-CG1 3.26Å; L40-I44 WeakPolarHBondContact O-CG1 3.3Å; L40-I44 PolarHBondContact O-N 3.07Å; L40-T122 HydrophobicContact CD2-CG2 4.24Å; L40-T122 HydrophobicContact CG-CG2 4.23Å; L40-V146 HydrophobicContact CD1-CG2 4.33Å; L40-V146 HydrophobicContact CD2-CB 4.49Å; L40-V146 HydrophobicContact CD2-CG1 4.1Å; L40-V146 HydrophobicContact CD2-CG2 4.11Å; L40-V146 WeakPolarHBondContact CD2-O 3.26Å; L40-V146 HydrophobicContact CG-CG1 4.36Å; L40-T148 HydrophobicContact CD1-CG2 4.33Å; L40-T148 HydrophobicContact CD2-CG2 4.13Å; L40-N352 HydrophobicContact CB-CB 4.44Å; L40-N352 PolarHBondContact N-ND2 3.49Å; L40-F355 HydrophobicContact CD1-CB 3.78Å |
| 41 | G | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -60 | -44.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | G36 K38 E43 I44 A45 | G36-G41 WeakPolarHBondContact O-CA 3.3Å; K38-G41 PolarHBondContact O-N 3.04Å; G41-E43 VanDerWaalsContact C-N 3.34Å; G41-E43 PolarHBondContact O-N 3.02Å; G41-I44 PolarHBondContact O-N 3.14Å; G41-A45 WeakPolarHBondContact O-CB 3.25Å; G41-A45 PolarHBondContact O-N 2.82Å |
| 42 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 4 Ų | 4 | 0% | 0 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -68.2 | -33 | 178.4 | 73.2 | 0 | 0 | 0 | 0 | 112.6 | M37 K38 G39 L40 A45 K46 Q72 F73 F74 L92 | M37-V42 VanDerWaalsContact CE-CA 3.47Å; M37-V42 HydrophobicContact CE-CB 3.63Å; M37-V42 HydrophobicContact CE-CG2 4.08Å; K38-V42 PolarHBondContact O-N 3.38Å; G39-V42 VanDerWaalsContact O-CG1 3.26Å; G39-V42 WeakPolarHBondContact O-CG1 3.44Å; L40-V42 PolarHBondContact O-N 3.25Å; V42-A45 PolarHBondContact O-N 2.93Å; V42-K46 VanDerWaalsContact O-CB 3.29Å; V42-K46 WeakPolarHBondContact O-CB 3.36Å; V42-K46 PolarHBondContact O-N 2.86Å; V42-Q72 HydrophobicContact CB-CG 4.22Å; V42-Q72 HydrophobicContact CG1-CB 4.44Å; V42-Q72 HydrophobicContact CG1-CG 3.7Å; V42-F73 HydrophobicContact CB-CZ 4.42Å; V42-F73 HydrophobicContact CG1-CD1 4.12Å; V42-F73 HydrophobicContact CG1-CE1 3.61Å; V42-F73 HydrophobicContact CG1-CZ 3.87Å; V42-F73 HydrophobicContact CG2-CE2 4.1Å; V42-F73 HydrophobicContact CG2-CZ 3.97Å; V42-F74 HydrophobicContact CG2-CB 4.47Å; V42-F74 HydrophobicContact CG2-CD2 3.47Å; V42-F74 VanDerWaalsContact CG2-CD2 3.47Å; V42-F74 HydrophobicContact CG2-CE2 4.06Å; V42-F74 HydrophobicContact CG2-CG 4.25Å; V42-L92 HydrophobicContact CG2-CD2 4.32Å |
| 43 | E | 98.9 | Very high | 98.5 | Very high | 4 Ų | 4 | 4.2 Ų | 4.2 | 2% | 0.019 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -65.9 | -43.7 | 174.7 | -170.9 | 68.4 | -154.8 | 0 | 0 | 111.5 | G39 L40 G41 K46 N47 F73 N352 K439 A860 | G39-E43 WeakPolarHBondContact O-CB 3.36Å; G39-E43 PolarHBondContact O-N 3.04Å; L40-E43 PolarHBondContact O-N 3.3Å; G41-E43 VanDerWaalsContact C-N 3.34Å; G41-E43 PolarHBondContact O-N 3.02Å; E43-K46 WeakPolarHBondContact OE1-CE 3.31Å; E43-K46 IonicContact OE1-NZ 2.8Å; E43-K46 PolarHBondContact OE1-NZ 2.97Å; E43-N47 PolarHBondContact O-N 2.81Å; E43-N47 PolarHBondContact O-ND2 3.35Å; E43-N47 PolarHBondContact OE1-ND2 3.17Å; E43-F73 WeakPolarHBondContact OE2-CE1 3.35Å; E43-N352 WeakPolarHBondContact CG-O 3.34Å; E43-K439 IonicContact OE1-NZ 2.69Å; E43-K439 PolarHBondContact OE1-NZ 2.93Å; E43-K439 IonicContact OE2-NZ 3.72Å; E43-K439 PolarHBondContact OE2-NZ 3.08Å; E43-A860 WeakPolarHBondContact OE1-CB 3.44Å |
| 44 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -62.4 | -49.9 | 175.8 | -61.6 | 162.8 | 0 | 0 | 0 | 109.3 | I34 L40 G41 K46 N47 V48 V120 T122 V146 A359 A360 | I34-I44 HydrophobicContact CD1-CB 4.44Å; I34-I44 HydrophobicContact CD1-CG2 3.86Å; I34-I44 HydrophobicContact CG1-CG2 4.38Å; L40-I44 HydrophobicContact CD1-CD1 4.21Å; L40-I44 HydrophobicContact CG-CD1 4.08Å; L40-I44 WeakPolarHBondContact O-CD1 3.49Å; L40-I44 VanDerWaalsContact O-CG1 3.26Å; L40-I44 WeakPolarHBondContact O-CG1 3.3Å; L40-I44 PolarHBondContact O-N 3.07Å; G41-I44 PolarHBondContact O-N 3.14Å; I44-K46 PolarHBondContact O-N 3.37Å; I44-N47 PolarHBondContact O-N 3.08Å; I44-V48 HydrophobicContact CG2-CG2 4.1Å; I44-V48 VanDerWaalsContact O-CG2 3.32Å; I44-V48 WeakPolarHBondContact O-CG2 3.3Å; I44-V48 PolarHBondContact O-N 3.05Å; I44-V120 HydrophobicContact CD1-CG1 4.13Å; I44-T122 HydrophobicContact CD1-CG2 3.8Å; I44-V146 HydrophobicContact CD1-CG1 3.42Å; I44-V146 VanDerWaalsContact CD1-CG1 3.42Å; I44-A359 HydrophobicContact CD1-CB 3.97Å; I44-A359 HydrophobicContact CG1-CB 4.01Å; I44-A360 HydrophobicContact CG2-CB 4.37Å |
| 45 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -58.8 | -46.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I34 G41 V42 N47 V48 I49 V58 L92 | I34-A45 VanDerWaalsContact CD1-CA 3.42Å; I34-A45 HydrophobicContact CD1-CB 3.71Å; G41-A45 WeakPolarHBondContact O-CB 3.25Å; G41-A45 PolarHBondContact O-N 2.82Å; V42-A45 PolarHBondContact O-N 2.93Å; A45-N47 VanDerWaalsContact C-N 3.34Å; A45-N47 PolarHBondContact O-N 3.46Å; A45-V48 PolarHBondContact O-N 2.85Å; A45-I49 HydrophobicContact CB-CD1 4.46Å; A45-I49 VanDerWaalsContact O-CB 3.3Å; A45-I49 WeakPolarHBondContact O-CB 3.48Å; A45-I49 WeakPolarHBondContact O-CD1 3.25Å; A45-I49 WeakPolarHBondContact O-CG1 3.3Å; A45-I49 PolarHBondContact O-N 2.87Å; A45-V58 HydrophobicContact CB-CG1 4.06Å; A45-L92 HydrophobicContact CB-CD1 4.46Å; A45-L92 HydrophobicContact CB-CD2 3.81Å |
| 46 | K | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -52.2 | -52.9 | 175 | 174.9 | -157.3 | 68.8 | 95.8 | 0 | 111.1 | V42 E43 I44 L50 F73 L95 E436 F471 | V42-K46 VanDerWaalsContact O-CB 3.29Å; V42-K46 WeakPolarHBondContact O-CB 3.36Å; V42-K46 PolarHBondContact O-N 2.86Å; E43-K46 WeakPolarHBondContact OE1-CE 3.31Å; E43-K46 IonicContact OE1-NZ 2.8Å; E43-K46 PolarHBondContact OE1-NZ 2.97Å; I44-K46 PolarHBondContact O-N 3.37Å; K46-L50 HydrophobicContact CG-CD1 3.95Å; K46-L50 WeakPolarHBondContact O-CB 3.44Å; K46-L50 WeakPolarHBondContact O-CD1 3.47Å; K46-L50 WeakPolarHBondContact O-CG 3.43Å; K46-L50 PolarHBondContact O-N 2.79Å; K46-F73 HydrophobicContact CB-CE2 4.48Å; K46-F73 HydrophobicContact CB-CZ 4.12Å; K46-F73 HydrophobicContact CD-CE2 4.18Å; K46-F73 HydrophobicContact CD-CZ 3.91Å; K46-F73 HydrophobicContact CG-CZ 4.47Å; K46-L95 HydrophobicContact CB-CD1 4.06Å; K46-L95 HydrophobicContact CG-CD1 3.89Å; K46-E436 IonicContact NZ-OE1 3.04Å; K46-E436 PolarHBondContact NZ-OE1 2.72Å; K46-F471 HydrophobicContact CD-CB 4.3Å; K46-F471 HydrophobicContact CD-CD1 3.93Å; K46-F471 HydrophobicContact CD-CD2 3.83Å; K46-F471 HydrophobicContact CD-CE1 4.22Å; K46-F471 HydrophobicContact CD-CE2 4.11Å; K46-F471 HydrophobicContact CD-CG 3.74Å; K46-F471 HydrophobicContact CD-CZ 4.31Å; K46-F471 HydrophobicContact CG-CB 4.38Å; K46-F471 HydrophobicContact CG-CD2 4.25Å; K46-F471 HydrophobicContact CG-CG 4.25Å |
| 47 | N | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -67.5 | -43.4 | -176.1 | -72.5 | -54.3 | 0 | 0 | 0 | 112 | E43 I44 A45 L50 S51 A360 A856 T857 | E43-N47 PolarHBondContact O-N 2.81Å; E43-N47 PolarHBondContact O-ND2 3.35Å; E43-N47 PolarHBondContact OE1-ND2 3.17Å; I44-N47 PolarHBondContact O-N 3.08Å; A45-N47 VanDerWaalsContact C-N 3.34Å; A45-N47 PolarHBondContact O-N 3.46Å; N47-L50 PolarHBondContact O-N 3.07Å; N47-S51 WeakPolarHBondContact O-CB 3.44Å; N47-S51 PolarHBondContact O-N 3.25Å; N47-S51 PolarHBondContact O-OG 2.76Å; N47-S51 VanDerWaalsContact O-OG 3.05Å; N47-A360 HydrophobicContact CB-CB 3.36Å; N47-A856 WeakPolarHBondContact OD1-CB 3.27Å; N47-A856 PolarHBondContact OD1-O 3.37Å; N47-T857 HydrophobicContact CB-CG2 4.16Å |
| 48 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -64.1 | -42.4 | 178.4 | 174.7 | 0 | 0 | 0 | 0 | 111.8 | V32 I44 A45 S51 G52 V53 V56 A360 V363 | V32-V48 HydrophobicContact CB-CG1 4.41Å; V32-V48 HydrophobicContact CG1-CG1 4.34Å; V32-V48 HydrophobicContact CG2-CG1 4.21Å; I44-V48 HydrophobicContact CG2-CG2 4.1Å; I44-V48 VanDerWaalsContact O-CG2 3.32Å; I44-V48 WeakPolarHBondContact O-CG2 3.3Å; I44-V48 PolarHBondContact O-N 3.05Å; A45-V48 PolarHBondContact O-N 2.85Å; V48-S51 PolarHBondContact O-N 3.41Å; V48-G52 PolarHBondContact O-N 3.38Å; V48-V53 HydrophobicContact CG1-CG1 3.9Å; V48-V53 HydrophobicContact CG1-CG2 3.8Å; V48-V56 HydrophobicContact CG1-CG2 3.76Å; V48-A360 HydrophobicContact CG2-CB 3.85Å; V48-V363 HydrophobicContact CG1-CG1 3.97Å; V48-V363 HydrophobicContact CG2-CB 3.9Å; V48-V363 HydrophobicContact CG2-CG1 3.8Å; V48-V363 HydrophobicContact CG2-CG2 4.1Å |
| 49 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -63.7 | -47.2 | 177.1 | -68.8 | 165.4 | 0 | 0 | 0 | 110.3 | A45 S51 G52 V56 L92 L95 N96 V99 V101 | A45-I49 HydrophobicContact CB-CD1 4.46Å; A45-I49 VanDerWaalsContact O-CB 3.3Å; A45-I49 WeakPolarHBondContact O-CB 3.48Å; A45-I49 WeakPolarHBondContact O-CD1 3.25Å; A45-I49 WeakPolarHBondContact O-CG1 3.3Å; A45-I49 PolarHBondContact O-N 2.87Å; I49-S51 PolarHBondContact O-N 3.18Å; I49-G52 PolarHBondContact O-N 3.46Å; I49-G52 VanDerWaalsContact O-N 3.13Å; I49-V56 HydrophobicContact CD1-CB 4.45Å; I49-V56 HydrophobicContact CG1-CB 3.97Å; I49-V56 HydrophobicContact CG1-CG1 4.34Å; I49-V56 HydrophobicContact CG1-CG2 3.69Å; I49-L92 HydrophobicContact CD1-CB 3.77Å; I49-L92 HydrophobicContact CD1-CD2 3.62Å; I49-L92 HydrophobicContact CD1-CG 4.21Å; I49-L95 HydrophobicContact CG2-CB 3.87Å; I49-L95 HydrophobicContact CG2-CD1 4.49Å; I49-N96 HydrophobicContact CG2-CB 3.68Å; I49-N96 WeakPolarHBondContact O-CB 3.44Å; I49-N96 PolarHBondContact O-ND2 2.99Å; I49-V99 HydrophobicContact CG1-CG1 4.37Å; I49-V99 HydrophobicContact CG2-CB 4.21Å; I49-V99 HydrophobicContact CG2-CG1 4.44Å; I49-V99 HydrophobicContact CG2-CG2 4.42Å; I49-V99 VanDerWaalsContact O-CG2 3.31Å; I49-V99 WeakPolarHBondContact O-CG2 3.43Å; I49-V101 HydrophobicContact CD1-CG1 4.26Å; I49-V101 HydrophobicContact CD1-CG2 3.79Å; I49-V101 HydrophobicContact CG1-CG2 4.12Å |
| 50 | L | 98.5 | Very high | 98.5 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -60.4 | -31.6 | 177.1 | -74.4 | 171 | 0 | 0 | 0 | 112.3 | K46 N47 G52 L95 L467 N468 F471 A856 | K46-L50 HydrophobicContact CG-CD1 3.95Å; K46-L50 WeakPolarHBondContact O-CB 3.44Å; K46-L50 WeakPolarHBondContact O-CD1 3.47Å; K46-L50 WeakPolarHBondContact O-CG 3.43Å; K46-L50 PolarHBondContact O-N 2.79Å; N47-L50 PolarHBondContact O-N 3.07Å; L50-G52 VanDerWaalsContact C-N 3.31Å; L50-G52 PolarHBondContact O-N 3.04Å; L50-L95 HydrophobicContact CD2-CB 4.13Å; L50-L95 HydrophobicContact CG-CB 4.48Å; L50-L467 WeakPolarHBondContact CD2-O 3.47Å; L50-N468 WeakPolarHBondContact CB-O 3.31Å; L50-N468 PolarHBondContact O-ND2 2.85Å; L50-F471 HydrophobicContact CD1-CB 3.79Å; L50-A856 HydrophobicContact CB-CB 4.46Å; L50-A856 HydrophobicContact CD1-CB 4.06Å |
| 51 | S | 97.1 | Very high | 98.4 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -73 | -16.3 | 178.3 | -67.8 | 0 | 0 | 0 | 0 | 115.1 | Q15 M27 N47 V48 I49 I364 | Q15-S51 PolarHBondContact NE2-O 3.35Å; M27-S51 WeakPolarHBondContact CE-O 3.27Å; N47-S51 WeakPolarHBondContact O-CB 3.44Å; N47-S51 PolarHBondContact O-N 3.25Å; N47-S51 PolarHBondContact O-OG 2.76Å; N47-S51 VanDerWaalsContact O-OG 3.05Å; V48-S51 PolarHBondContact O-N 3.41Å; I49-S51 PolarHBondContact O-N 3.18Å; S51-I364 VanDerWaalsContact OG-CD1 3.25Å; S51-I364 WeakPolarHBondContact OG-CD1 3.4Å |
| 52 | G | 97.1 | Very high | 98.3 | Very high | 5 Ų | 5 | 14 Ų | 14 | 5% | 0.052 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | 54.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y12 V48 I49 L50 | Y12-G52 VanDerWaalsContact OH-CA 3.25Å; Y12-G52 WeakPolarHBondContact OH-CA 3.46Å; V48-G52 PolarHBondContact O-N 3.38Å; I49-G52 PolarHBondContact O-N 3.46Å; I49-G52 VanDerWaalsContact O-N 3.13Å; L50-G52 VanDerWaalsContact C-N 3.31Å; L50-G52 PolarHBondContact O-N 3.04Å |
| 53 | V | 98.1 | Very high | 98.3 | Very high | 3 Ų | 3 | 20.2 Ų | 20.2 | 2% | 0.018 | 10% | 0.102 | C | C | . | . | trans | -79.9 | 171.2 | 167.1 | -59.8 | 0 | 0 | 0 | 0 | 111.6 | M27 V32 V48 V56 V99 | M27-V53 VanDerWaalsContact O-CA 3.28Å; M27-V53 WeakPolarHBondContact O-CA 3.45Å; V32-V53 HydrophobicContact CG2-CB 4.29Å; V32-V53 HydrophobicContact CG2-CG1 4.14Å; V32-V53 HydrophobicContact CG2-CG2 4.18Å; V48-V53 HydrophobicContact CG1-CG1 3.9Å; V48-V53 HydrophobicContact CG1-CG2 3.8Å; V53-V56 HydrophobicContact CG2-CG2 3.47Å; V53-V56 VanDerWaalsContact CG2-CG2 3.47Å; V53-V99 HydrophobicContact CG2-CG1 4.05Å; V53-V99 WeakPolarHBondContact O-CG2 3.44Å | ||
| 54 | K | 98 | Very high | 98.2 | Very high | 97 Ų | 97 | 20.2 Ų | 20.2 | 42% | 0.422 | 10% | 0.103 | S | C | . | . | S | Bend | trans | -61.8 | -52.3 | 176.7 | -173.4 | -175.6 | 168.3 | -156.8 | 0 | 111.6 | M27 A28 T29 A30 E31 F100 | M27-K54 PolarHBondContact O-N 3.48Å; A28-K54 VanDerWaalsContact O-CB 3.27Å; A28-K54 WeakPolarHBondContact O-CB 3.42Å; T29-K54 WeakPolarHBondContact O-CD 3.13Å; A30-K54 WeakPolarHBondContact O-CA 3.42Å; A30-K54 WeakPolarHBondContact O-CB 3.48Å; A30-K54 PolarHBondContact O-N 2.85Å; E31-K54 VanDerWaalsContact CD-NZ 3.34Å; E31-K54 HydrophobicContact CG-CB 4.48Å; E31-K54 HydrophobicContact CG-CD 3.8Å; E31-K54 IonicContact OE1-NZ 2.84Å; E31-K54 PolarHBondContact OE1-NZ 3.02Å; E31-K54 IonicContact OE2-NZ 3.75Å; K54-F100 PolarHBondContact O-N 3.08Å |
| 55 | S | 98.6 | Very high | 98.1 | Very high | 11 Ų | 11 | 24.5 Ų | 24.5 | 8% | 0.077 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 149.6 | -179.9 | 63.9 | 0 | 0 | 0 | 0 | 112.6 | A30 V32 F100 | A30-S55 PolarHBondContact O-N 3.29Å; V32-S55 PolarHBondContact N-O 2.83Å; S55-F100 CarbonylContact C-O 3.59Å; S55-F100 WeakPolarHBondContact CA-O 3.27Å; S55-F100 WeakPolarHBondContact CB-O 3.41Å |
| 56 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 119.6 | 171.1 | 178.5 | 0 | 0 | 0 | 0 | 108.7 | V32 I34 V48 I49 V53 V58 V99 F100 V101 S102 | V32-V56 HydrophobicContact CB-CG2 4.49Å; V32-V56 CarbonylContact O-C 3.46Å; V32-V56 WeakPolarHBondContact O-CA 3.43Å; I34-V56 HydrophobicContact CD1-CG1 3.83Å; I34-V56 HydrophobicContact CG1-CG1 4.39Å; V48-V56 HydrophobicContact CG1-CG2 3.76Å; I49-V56 HydrophobicContact CD1-CB 4.45Å; I49-V56 HydrophobicContact CG1-CB 3.97Å; I49-V56 HydrophobicContact CG1-CG1 4.34Å; I49-V56 HydrophobicContact CG1-CG2 3.69Å; V53-V56 HydrophobicContact CG2-CG2 3.47Å; V53-V56 VanDerWaalsContact CG2-CG2 3.47Å; V56-V58 HydrophobicContact CG1-CG1 4.19Å; V56-V99 HydrophobicContact CG2-CG1 4.09Å; V56-F100 PolarHBondContact N-O 3.1Å; V56-V101 VanDerWaalsContact O-CA 3.31Å; V56-V101 WeakPolarHBondContact O-CA 3.28Å; V56-S102 PolarHBondContact O-N 3.4Å; V56-S102 VanDerWaalsContact O-N 3.1Å |
| 57 | T | 98.9 | Very high | 97.8 | Very high | 9 Ų | 9 | 30.1 Ų | 30.1 | 6% | 0.055 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 125.5 | 165.1 | -65.5 | 0 | 0 | 0 | 0 | 109.2 | V32 L33 I34 S102 H104 Y116 | V32-T57 PolarHBondContact O-N 3.12Å; L33-T57 WeakPolarHBondContact CA-O 3.28Å; L33-T57 HydrophobicContact CD1-CG2 3.9Å; I34-T57 PolarHBondContact N-O 3.27Å; T57-S102 CarbonylContact C-O 3.58Å; T57-S102 VanDerWaalsContact CA-O 3.31Å; T57-S102 WeakPolarHBondContact CA-O 3.09Å; T57-S102 PolarHBondContact OG1-OG 3.28Å; T57-H104 HydrophobicContact CG2-CB 4.07Å; T57-Y116 VanDerWaalsContact CB-OH 3.25Å; T57-Y116 WeakPolarHBondContact CB-OH 3.44Å; T57-Y116 WeakPolarHBondContact CG2-OH 3.24Å; T57-Y116 PolarHBondContact OG1-OH 3.43Å; T57-Y116 VanDerWaalsContact OG1-OH 3.14Å |
| 58 | V | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 130.2 | 171.6 | -67.5 | 0 | 0 | 0 | 0 | 109.6 | I34 M37 A45 V56 A85 I89 L92 S102 A103 H104 | I34-V58 CarbonylContact O-C 3.49Å; I34-V58 WeakPolarHBondContact O-CA 3.26Å; M37-V58 HydrophobicContact CE-CG1 4.2Å; M37-V58 HydrophobicContact CG-CB 3.78Å; M37-V58 HydrophobicContact CG-CG1 4.38Å; M37-V58 HydrophobicContact CG-CG2 4.44Å; M37-V58 HydrophobicContact SD-CB 3.55Å; M37-V58 VanDerWaalsContact SD-CB 3.55Å; M37-V58 HydrophobicContact SD-CG1 3.48Å; M37-V58 WeakPolarHBondContact SD-CG1 3.39Å; A45-V58 HydrophobicContact CB-CG1 4.06Å; V56-V58 HydrophobicContact CG1-CG1 4.19Å; V58-A85 HydrophobicContact CG2-CB 4.2Å; V58-I89 HydrophobicContact CG2-CD1 3.63Å; V58-L92 HydrophobicContact CG1-CD1 4Å; V58-L92 HydrophobicContact CG2-CD1 4.3Å; V58-S102 WeakPolarHBondContact CG2-O 3.36Å; V58-S102 PolarHBondContact N-O 3.24Å; V58-A103 HydrophobicContact CG2-CB 4.44Å; V58-A103 CarbonylContact O-C 3.52Å; V58-A103 VanDerWaalsContact O-CA 3.3Å; V58-A103 WeakPolarHBondContact O-CA 3.13Å; V58-H104 PolarHBondContact O-N 2.98Å |
| 59 | Q | 98.2 | Very high | 97.7 | Very high | 12 Ų | 12 | 30.3 Ų | 30.3 | 6% | 0.056 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 129.8 | -177.3 | -175.3 | -80.5 | -33.4 | 0 | 0 | 110.5 | L33 I34 A35 G36 H104 G106 L108 | L33-Q59 HydrophobicContact CD1-CB 3.97Å; I34-Q59 PolarHBondContact O-N 3.41Å; A35-Q59 CarbonylContact C-O 3.53Å; A35-Q59 WeakPolarHBondContact CA-O 3.39Å; A35-Q59 HydrophobicContact CB-CB 4.35Å; G36-Q59 PolarHBondContact N-O 2.89Å; Q59-H104 VanDerWaalsContact CA-O 3.25Å; Q59-H104 WeakPolarHBondContact CA-O 3.48Å; Q59-H104 HydrophobicContact CB-CB 4.23Å; Q59-H104 HydrophobicContact CG-CB 4.07Å; Q59-G106 PolarHBondContact NE2-O 3.02Å; Q59-L108 HydrophobicContact CB-CD2 4.37Å; Q59-L108 HydrophobicContact CG-CD2 3.8Å; Q59-L108 HydrophobicContact CG-CG 4.43Å |
| 60 | D | 97.9 | Very high | 97.6 | Very high | 10 Ų | 10 | 30.3 Ų | 30.3 | 5% | 0.053 | 16% | 0.155 | C | C | . | . | trans | -160.5 | 134.5 | 172.5 | -157.8 | -24.8 | 0 | 0 | 0 | 110.3 | M37 G62 N83 R84 A85 H104 | M37-D60 WeakPolarHBondContact CA-OD2 3.42Å; M37-D60 HydrophobicContact CB-CB 3.94Å; M37-D60 WeakPolarHBondContact CB-OD2 3.47Å; M37-D60 HydrophobicContact CG-CB 4.19Å; M37-D60 PolarHBondContact N-OD2 3.18Å; D60-G62 PolarHBondContact OD1-N 3.16Å; D60-N83 PolarHBondContact O-ND2 3.14Å; D60-R84 VanDerWaalsContact CG-NH2 3.34Å; D60-R84 IonicContact OD1-CZ 3.73Å; D60-R84 IonicContact OD1-NE 3.64Å; D60-R84 IonicContact OD1-NH2 2.75Å; D60-R84 PolarHBondContact OD1-NH2 2.87Å; D60-R84 IonicContact OD2-CZ 3.14Å; D60-R84 VanDerWaalsContact OD2-CZ 3.26Å; D60-R84 IonicContact OD2-NE 2.82Å; D60-R84 PolarHBondContact OD2-NE 3.37Å; D60-R84 IonicContact OD2-NH2 3.54Å; D60-R84 PolarHBondContact OD2-NH2 2.83Å; D60-A85 HydrophobicContact CB-CB 3.83Å; D60-H104 PolarHBondContact N-O 3.23Å; D60-H104 VanDerWaalsContact N-O 3.16Å | ||
| 61 | E | 96.9 | Very high | 97.6 | Very high | 121 Ų | 121 | 30.4 Ų | 30.4 | 57% | 0.565 | 16% | 0.155 | S | C | * | . | trans | -90.8 | -18.5 | 173.5 | -64 | -178.7 | -99.1 | 0 | 0 | 111.7 | P107 | E61-P107 WeakPolarHBondContact OE1-CA 3.23Š| ||
| 62 | G | 96.3 | Very high | 97.7 | Very high | 21 Ų | 21 | 30.4 Ų | 30.4 | 22% | 0.216 | 16% | 0.155 | C | C | . | . | P | Polyproline II helix | trans | -77.6 | 154.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | D60 N83 R84 | D60-G62 PolarHBondContact OD1-N 3.16Å; G62-N83 PolarHBondContact O-ND2 3.32Å; G62-R84 PolarHBondContact O-N 2.92Å |
| 63 | Q | 97.8 | Very high | 97.7 | Very high | 132 Ų | 132 | 30.3 Ų | 30.3 | 62% | 0.617 | 15% | 0.154 | S | C | * | . | B | Isolated β-bridge | trans | -93.6 | 151.2 | 171.9 | -66.2 | 176.9 | -15 | 0 | 0 | 110.4 | G81 Q82 | Q63-G81 VanDerWaalsContact CD-O 3.24Å; Q63-G81 WeakPolarHBondContact CG-O 3.49Å; Q63-G81 PolarHBondContact NE2-O 2.75Å; Q63-Q82 CarbonylContact C-O 3.46Å; Q63-Q82 VanDerWaalsContact CA-O 3.22Å; Q63-Q82 WeakPolarHBondContact CA-O 3.35Å |
| 64 | A | 97.8 | Very high | 97.7 | Very high | 4 Ų | 4 | 30.5 Ų | 30.5 | 3% | 0.033 | 15% | 0.154 | C | C | . | . | P | Polyproline II helix | trans | -68.2 | 130.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | L75 D79 G81 Q82 R84 | A64-L75 HydrophobicContact CB-CD1 3.84Å; A64-L75 HydrophobicContact CB-CD2 4.13Å; A64-D79 WeakPolarHBondContact CB-O 3.48Å; A64-G81 PolarHBondContact O-N 3.34Å; A64-Q82 PolarHBondContact N-O 3.45Å; A64-R84 HydrophobicContact CB-CG 4.04Å |
| 65 | D | 96.3 | Very high | 97.8 | Very high | 90 Ų | 90 | 26 Ų | 26 | 48% | 0.481 | 13% | 0.134 | S | C | . | . | trans | -127.9 | 168.9 | 174 | -171.6 | 23 | 0 | 0 | 0 | 110.8 | S67 D68 L69 L80 | D65-S67 PolarHBondContact O-N 2.91Å; D65-S67 VanDerWaalsContact O-N 3.15Å; D65-D68 PolarHBondContact N-OD2 3.36Å; D65-D68 WeakPolarHBondContact O-CB 3.11Å; D65-D68 PolarHBondContact O-N 3.4Å; D65-L69 VanDerWaalsContact O-CD1 3.24Å; D65-L69 WeakPolarHBondContact O-CD1 3.45Å; D65-L80 VanDerWaalsContact C-CD2 3.42Å | ||
| 66 | W | 96 | Very high | 97.6 | Very high | 76 Ų | 76 | 28.1 Ų | 28.1 | 29% | 0.288 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -38.4 | -177.6 | -77.1 | 106.2 | 0 | 0 | 0 | 113.9 | D68 L69 E77 L80 R404 | W66-D68 VanDerWaalsContact C-N 3.27Å; W66-D68 PolarHBondContact O-N 3.31Å; W66-L69 PolarHBondContact O-N 2.84Å; W66-E77 HydrophobicContact CH2-CG 4.17Å; W66-E77 HydrophobicContact CZ3-CG 3.98Å; W66-L80 HydrophobicContact CD2-CD1 3.98Å; W66-L80 HydrophobicContact CD2-CD2 4.5Å; W66-L80 HydrophobicContact CE3-CD1 4.34Å; W66-L80 HydrophobicContact CG-CD2 4.49Å; W66-L80 HydrophobicContact CH2-CD1 3.98Å; W66-L80 HydrophobicContact CZ2-CD1 3.55Å; W66-L80 HydrophobicContact CZ3-CD1 4.34Å; W66-R404 HydrophobicContact CE3-CB 4.4Å; W66-R404 HydrophobicContact CZ3-CB 4.5Å |
| 67 | S | 95.4 | Very high | 97.5 | Very high | 42 Ų | 42 | 32.4 Ų | 32.4 | 29% | 0.294 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -29.4 | 179.1 | 58.9 | 0 | 0 | 0 | 0 | 113.1 | D65 L69 S70 | D65-S67 PolarHBondContact O-N 2.91Å; D65-S67 VanDerWaalsContact O-N 3.15Å; S67-L69 VanDerWaalsContact C-N 3.32Å; S67-L69 PolarHBondContact O-N 2.76Å; S67-S70 WeakPolarHBondContact O-CB 3.42Å; S67-S70 PolarHBondContact O-N 3.07Å; S67-S70 PolarHBondContact O-OG 3.35Å |
| 68 | D | 97.6 | Very high | 97.4 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -70 | -31.3 | 179.6 | -59.9 | -45.3 | 0 | 0 | 0 | 111.3 | K38 D65 W66 S70 S71 Q72 L75 R84 | K38-D68 VanDerWaalsContact CD-OD1 3.26Å; K38-D68 WeakPolarHBondContact CD-OD1 3.43Å; K38-D68 VanDerWaalsContact CE-OD1 3.28Å; K38-D68 WeakPolarHBondContact CE-OD1 3.49Å; K38-D68 WeakPolarHBondContact CG-OD1 3.38Å; D65-D68 PolarHBondContact N-OD2 3.36Å; D65-D68 WeakPolarHBondContact O-CB 3.11Å; D65-D68 PolarHBondContact O-N 3.4Å; W66-D68 VanDerWaalsContact C-N 3.27Å; W66-D68 PolarHBondContact O-N 3.31Å; D68-S70 PolarHBondContact O-N 3.45Å; D68-S70 VanDerWaalsContact O-N 3.13Å; D68-S71 PolarHBondContact O-N 2.73Å; D68-Q72 WeakPolarHBondContact O-CB 3.34Å; D68-Q72 PolarHBondContact O-N 2.89Å; D68-L75 HydrophobicContact CB-CD1 4.01Å; D68-R84 IonicContact OD1-NH1 3.26Å; D68-R84 PolarHBondContact OD1-NH1 2.56Å; D68-R84 WeakPolarHBondContact OD2-CD 3.49Å; D68-R84 IonicContact OD2-NH1 3.26Å; D68-R84 PolarHBondContact OD2-NH1 3.27Å |
| 69 | L | 98.2 | Very high | 97.3 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -68.7 | -9.5 | 179.7 | -76.4 | 73 | 0 | 0 | 0 | 113.5 | D65 W66 S67 S71 L75 E77 L80 R404 | D65-L69 VanDerWaalsContact O-CD1 3.24Å; D65-L69 WeakPolarHBondContact O-CD1 3.45Å; W66-L69 PolarHBondContact O-N 2.84Å; S67-L69 VanDerWaalsContact C-N 3.32Å; S67-L69 PolarHBondContact O-N 2.76Å; L69-S71 PolarHBondContact O-N 2.81Å; L69-L75 HydrophobicContact CD1-CB 4.47Å; L69-E77 HydrophobicContact CD2-CG 3.77Å; L69-L80 HydrophobicContact CD1-CD2 3.79Å; L69-R404 CarbonylContact C-O 3.59Å; L69-R404 HydrophobicContact CB-CB 3.71Å; L69-R404 HydrophobicContact CD2-CB 4.11Å |
| 70 | S | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -67.5 | -20.9 | 175.2 | -67 | 0 | 0 | 0 | 0 | 112.5 | S67 D68 R404 A407 | S67-S70 WeakPolarHBondContact O-CB 3.42Å; S67-S70 PolarHBondContact O-N 3.07Å; S67-S70 PolarHBondContact O-OG 3.35Å; D68-S70 PolarHBondContact O-N 3.45Å; D68-S70 VanDerWaalsContact O-N 3.13Å; S70-R404 WeakPolarHBondContact CA-O 3.34Å; S70-R404 WeakPolarHBondContact CB-O 3.27Å; S70-R404 PolarHBondContact N-O 3.28Å; S70-R404 PolarHBondContact OG-O 2.87Å; S70-A407 PolarHBondContact OG-N 3.36Å |
| 71 | S | 98.3 | Very high | 97.3 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.014 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -145.3 | -18.6 | -175.1 | 72.7 | 0 | 0 | 0 | 0 | 114.3 | G39 D68 L69 F73 D347 N352 L443 | G39-S71 WeakPolarHBondContact CA-OG 3.48Å; G39-S71 PolarHBondContact N-OG 3.4Å; D68-S71 PolarHBondContact O-N 2.73Å; L69-S71 PolarHBondContact O-N 2.81Å; S71-F73 PolarHBondContact O-N 2.71Å; S71-D347 PolarHBondContact OG-OD1 2.86Å; S71-D347 PolarHBondContact OG-OD2 2.83Å; S71-N352 WeakPolarHBondContact CB-ND2 3.5Å; S71-N352 PolarHBondContact OG-ND2 3.39Å; S71-N352 VanDerWaalsContact OG-ND2 3.16Å; S71-L443 WeakPolarHBondContact O-CD1 3.48Å |
| 72 | Q | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -87.3 | 102.4 | 179.4 | -143.4 | -67.1 | 21.7 | 0 | 0 | 110.1 | V42 D68 F74 L75 S88 | V42-Q72 HydrophobicContact CB-CG 4.22Å; V42-Q72 HydrophobicContact CG1-CB 4.44Å; V42-Q72 HydrophobicContact CG1-CG 3.7Å; D68-Q72 WeakPolarHBondContact O-CB 3.34Å; D68-Q72 PolarHBondContact O-N 2.89Å; Q72-F74 PolarHBondContact O-N 2.85Å; Q72-L75 HydrophobicContact CB-CD1 3.94Å; Q72-L75 HydrophobicContact CB-CG 4.27Å; Q72-L75 HydrophobicContact CG-CD1 3.78Å; Q72-L75 HydrophobicContact CG-CG 3.99Å; Q72-S88 PolarHBondContact NE2-OG 3.42Å | ||
| 73 | F | 98.4 | Very high | 97.4 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 1% | 0.013 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -0.1 | -172.6 | 48.9 | -91.8 | 0 | 0 | 0 | 116.1 | V42 E43 K46 S71 K439 L443 F471 M493 | V42-F73 HydrophobicContact CB-CZ 4.42Å; V42-F73 HydrophobicContact CG1-CD1 4.12Å; V42-F73 HydrophobicContact CG1-CE1 3.61Å; V42-F73 HydrophobicContact CG1-CZ 3.87Å; V42-F73 HydrophobicContact CG2-CE2 4.1Å; V42-F73 HydrophobicContact CG2-CZ 3.97Å; E43-F73 WeakPolarHBondContact OE2-CE1 3.35Å; K46-F73 HydrophobicContact CB-CE2 4.48Å; K46-F73 HydrophobicContact CB-CZ 4.12Å; K46-F73 HydrophobicContact CD-CE2 4.18Å; K46-F73 HydrophobicContact CD-CZ 3.91Å; K46-F73 HydrophobicContact CG-CZ 4.47Å; S71-F73 PolarHBondContact O-N 2.71Å; F73-K439 HydrophobicContact CB-CG 3.91Å; F73-K439 HydrophobicContact CD1-CD 3.73Å; F73-K439 HydrophobicContact CD1-CG 4.04Å; F73-K439 HydrophobicContact CE1-CD 4.2Å; F73-K439 HydrophobicContact CG-CD 4.15Å; F73-K439 HydrophobicContact CG-CG 3.93Å; F73-L443 HydrophobicContact CB-CD1 4.14Å; F73-L443 HydrophobicContact CB-CD2 4.14Å; F73-L443 HydrophobicContact CB-CG 4.45Å; F73-L443 HydrophobicContact CD1-CD1 4.18Å; F73-F471 AromaticContact CD2-CE2 4Å; F73-F471 HydrophobicContact CD2-CE2 4Å; F73-F471 HydrophobicContact CD2-CZ 4.5Å; F73-F471 AromaticContact CE2-CE2 3.96Å; F73-F471 HydrophobicContact CE2-CE2 3.96Å; F73-M493 HydrophobicContact CB-CE 4.46Å; F73-M493 HydrophobicContact CB-SD 4.02Å; F73-M493 HydrophobicContact CD2-CE 4.46Å; F73-M493 WeakPolarHBondContact O-CG 3.16Å |
| 74 | F | 98.3 | Very high | 97.5 | Very high | 7 Ų | 7 | 34.9 Ų | 34.9 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -10.1 | 173.6 | -68.4 | -27.2 | 0 | 0 | 0 | 113.9 | V42 Q72 Q91 L92 L95 F471 | V42-F74 HydrophobicContact CG2-CB 4.47Å; V42-F74 HydrophobicContact CG2-CD2 3.47Å; V42-F74 VanDerWaalsContact CG2-CD2 3.47Å; V42-F74 HydrophobicContact CG2-CE2 4.06Å; V42-F74 HydrophobicContact CG2-CG 4.25Å; Q72-F74 PolarHBondContact O-N 2.85Å; F74-Q91 HydrophobicContact CB-CB 4.06Å; F74-Q91 HydrophobicContact CB-CG 4.1Å; F74-Q91 HydrophobicContact CD1-CB 3.45Å; F74-Q91 VanDerWaalsContact CD1-CB 3.45Å; F74-Q91 HydrophobicContact CD1-CG 3.77Å; F74-Q91 HydrophobicContact CD2-CB 3.68Å; F74-Q91 HydrophobicContact CE1-CB 3.68Å; F74-Q91 HydrophobicContact CE1-CG 4.33Å; F74-Q91 HydrophobicContact CE2-CB 3.89Å; F74-Q91 HydrophobicContact CG-CB 3.47Å; F74-Q91 VanDerWaalsContact CG-CB 3.47Å; F74-Q91 HydrophobicContact CG-CG 3.94Å; F74-Q91 HydrophobicContact CZ-CB 3.89Å; F74-L92 HydrophobicContact CD2-CD2 4.1Å; F74-L92 HydrophobicContact CD2-CG 4.07Å; F74-L92 HydrophobicContact CE2-CD2 3.72Å; F74-L92 HydrophobicContact CE2-CG 4.02Å; F74-L95 HydrophobicContact CE2-CD1 4.23Å; F74-L95 HydrophobicContact CZ-CD1 4.2Å; F74-L95 HydrophobicContact CZ-CD2 4.21Å; F74-L95 HydrophobicContact CZ-CG 4.39Å; F74-F471 HydrophobicContact CE1-CE2 4.49Å; F74-F471 HydrophobicContact CZ-CD2 4.5Å |
| 75 | L | 98.1 | Very high | 97.5 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | trans | -82.2 | 133.4 | 168.5 | -66.4 | 175.3 | 0 | 0 | 0 | 110.3 | A64 D68 L69 Q72 D79 R84 | A64-L75 HydrophobicContact CB-CD1 3.84Å; A64-L75 HydrophobicContact CB-CD2 4.13Å; D68-L75 HydrophobicContact CB-CD1 4.01Å; L69-L75 HydrophobicContact CD1-CB 4.47Å; Q72-L75 HydrophobicContact CB-CD1 3.94Å; Q72-L75 HydrophobicContact CB-CG 4.27Å; Q72-L75 HydrophobicContact CG-CD1 3.78Å; Q72-L75 HydrophobicContact CG-CG 3.99Å; L75-D79 HydrophobicContact CD2-CB 4.02Å; L75-R84 HydrophobicContact CD1-CG 4.12Å | ||
| 76 | H | 96.4 | Very high | 97.6 | Very high | 56 Ų | 56 | 34 Ų | 34 | 26% | 0.259 | 19% | 0.189 | S | C | . | . | trans | -104.6 | 164.6 | 170.5 | -56.5 | -78.5 | 0 | 0 | 0 | 110 | S78 D79 E492 | H76-S78 PolarHBondContact O-N 3.04Å; H76-S78 VanDerWaalsContact O-N 3.14Å; H76-D79 IonicContact CD2-OD2 2.82Å; H76-D79 IonicContact CG-OD2 2.9Å; H76-D79 PolarHBondContact N-OD2 3.08Å; H76-D79 WeakPolarHBondContact O-CB 3.48Å; H76-D79 PolarHBondContact O-N 2.84Å; H76-E492 PolarHBondContact CE1-O 2.99Å; H76-E492 VanDerWaalsContact CE1-O 3.26Å; H76-E492 PolarHBondContact ND1-O 2.79Å; H76-E492 VanDerWaalsContact ND1-O 3.1Å | ||
| 77 | E | 95.8 | Very high | 97.7 | Very high | 91 Ų | 91 | 30.9 Ų | 30.9 | 43% | 0.425 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -59.9 | -25.2 | 175.2 | -66.6 | -179.4 | -161.9 | 0 | 0 | 112.3 | W66 L69 D79 L80 | W66-E77 HydrophobicContact CH2-CG 4.17Å; W66-E77 HydrophobicContact CZ3-CG 3.98Å; L69-E77 HydrophobicContact CD2-CG 3.77Å; E77-D79 PolarHBondContact O-N 2.79Å; E77-L80 WeakPolarHBondContact O-CD1 3.38Å; E77-L80 WeakPolarHBondContact O-CG 3.49Å; E77-L80 PolarHBondContact O-N 3.04Å |
| 78 | S | 96.5 | Very high | 97.8 | Very high | 89 Ų | 89 | 28.9 Ų | 28.9 | 62% | 0.622 | 17% | 0.165 | S | C | * | . | G | 310 helix | trans | -69 | -16 | 173.1 | 53.5 | 0 | 0 | 0 | 0 | 114.3 | H76 Q82 | H76-S78 PolarHBondContact O-N 3.04Å; H76-S78 VanDerWaalsContact O-N 3.14Å; S78-Q82 PolarHBondContact O-NE2 3.41Å |
| 79 | D | 97.6 | Very high | 97.8 | Very high | 18 Ų | 18 | 30.4 Ų | 30.4 | 10% | 0.096 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -89.7 | -6.6 | -179.1 | -59.6 | -48.8 | 0 | 0 | 0 | 112.8 | A64 L75 H76 E77 G81 Q82 | A64-D79 WeakPolarHBondContact CB-O 3.48Å; L75-D79 HydrophobicContact CD2-CB 4.02Å; H76-D79 IonicContact CD2-OD2 2.82Å; H76-D79 IonicContact CG-OD2 2.9Å; H76-D79 PolarHBondContact N-OD2 3.08Å; H76-D79 WeakPolarHBondContact O-CB 3.48Å; H76-D79 PolarHBondContact O-N 2.84Å; E77-D79 PolarHBondContact O-N 2.79Å; D79-G81 PolarHBondContact O-N 3.39Å; D79-Q82 WeakPolarHBondContact O-CA 3.5Å; D79-Q82 WeakPolarHBondContact O-CB 3.37Å; D79-Q82 WeakPolarHBondContact O-CG 3.48Å; D79-Q82 PolarHBondContact O-N 3.38Å |
| 80 | L | 97.4 | Very high | 97.8 | Very high | 52 Ų | 52 | 34.4 Ų | 34.4 | 27% | 0.272 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 128.6 | 178.5 | -68.3 | 172.7 | 0 | 0 | 0 | 111.3 | D65 W66 L69 E77 Q82 | D65-L80 VanDerWaalsContact C-CD2 3.42Å; W66-L80 HydrophobicContact CD2-CD1 3.98Å; W66-L80 HydrophobicContact CD2-CD2 4.5Å; W66-L80 HydrophobicContact CE3-CD1 4.34Å; W66-L80 HydrophobicContact CG-CD2 4.49Å; W66-L80 HydrophobicContact CH2-CD1 3.98Å; W66-L80 HydrophobicContact CZ2-CD1 3.55Å; W66-L80 HydrophobicContact CZ3-CD1 4.34Å; L69-L80 HydrophobicContact CD1-CD2 3.79Å; E77-L80 WeakPolarHBondContact O-CD1 3.38Å; E77-L80 WeakPolarHBondContact O-CG 3.49Å; E77-L80 PolarHBondContact O-N 3.04Å; L80-Q82 VanDerWaalsContact C-N 3.28Å; L80-Q82 PolarHBondContact O-N 2.96Å |
| 81 | G | 97.5 | Very high | 97.8 | Very high | 43 Ų | 43 | 36.4 Ų | 36.4 | 44% | 0.443 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | -7.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q63 A64 D79 | Q63-G81 VanDerWaalsContact CD-O 3.24Å; Q63-G81 WeakPolarHBondContact CG-O 3.49Å; Q63-G81 PolarHBondContact NE2-O 2.75Å; A64-G81 PolarHBondContact O-N 3.34Å; D79-G81 PolarHBondContact O-N 3.39Å |
| 82 | Q | 98.1 | Very high | 97.8 | Very high | 96 Ų | 96 | 36.3 Ų | 36.3 | 45% | 0.449 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -88.2 | 158.7 | 173.2 | -53.8 | -172.5 | 45.7 | 0 | 0 | 111.1 | Q63 A64 S78 D79 L80 R84 | Q63-Q82 CarbonylContact C-O 3.46Å; Q63-Q82 VanDerWaalsContact CA-O 3.22Å; Q63-Q82 WeakPolarHBondContact CA-O 3.35Å; A64-Q82 PolarHBondContact N-O 3.45Å; S78-Q82 PolarHBondContact O-NE2 3.41Å; D79-Q82 WeakPolarHBondContact O-CA 3.5Å; D79-Q82 WeakPolarHBondContact O-CB 3.37Å; D79-Q82 WeakPolarHBondContact O-CG 3.48Å; D79-Q82 PolarHBondContact O-N 3.38Å; L80-Q82 VanDerWaalsContact C-N 3.28Å; L80-Q82 PolarHBondContact O-N 2.96Å; Q82-R84 PolarHBondContact O-N 2.8Å |
| 83 | N | 98.4 | Very high | 97.8 | Very high | 29 Ų | 29 | 39.3 Ų | 39.3 | 16% | 0.155 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | -68.6 | 128.2 | 179.3 | 172.9 | -93.6 | 0 | 0 | 0 | 111.6 | D60 G62 A85 T86 S87 T105 | D60-N83 PolarHBondContact O-ND2 3.14Å; G62-N83 PolarHBondContact O-ND2 3.32Å; N83-A85 PolarHBondContact O-N 3.13Å; N83-A85 WeakPolarHBondContact OD1-CB 3.44Å; N83-A85 PolarHBondContact OD1-N 3.42Å; N83-T86 PolarHBondContact O-N 3.03Å; N83-T86 PolarHBondContact OD1-N 3.43Å; N83-T86 PolarHBondContact OD1-OG1 2.81Å; N83-T86 VanDerWaalsContact OD1-OG1 3.07Å; N83-S87 PolarHBondContact O-N 3.49Å; N83-S87 PolarHBondContact O-OG 2.68Å; N83-T105 WeakPolarHBondContact OD1-CG2 3.4Å |
| 84 | R | 98.5 | Very high | 97.7 | Very high | 30 Ų | 30 | 41.5 Ų | 41.5 | 11% | 0.113 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.9 | -41.7 | -173.9 | -65.3 | -176.6 | -66.3 | -135 | -4 | 113.7 | M37 D60 G62 A64 D68 L75 Q82 S88 | M37-R84 HydrophobicContact CB-CB 4.06Å; D60-R84 VanDerWaalsContact CG-NH2 3.34Å; D60-R84 IonicContact OD1-CZ 3.73Å; D60-R84 IonicContact OD1-NE 3.64Å; D60-R84 IonicContact OD1-NH2 2.75Å; D60-R84 PolarHBondContact OD1-NH2 2.87Å; D60-R84 IonicContact OD2-CZ 3.14Å; D60-R84 VanDerWaalsContact OD2-CZ 3.26Å; D60-R84 IonicContact OD2-NE 2.82Å; D60-R84 PolarHBondContact OD2-NE 3.37Å; D60-R84 IonicContact OD2-NH2 3.54Å; D60-R84 PolarHBondContact OD2-NH2 2.83Å; G62-R84 PolarHBondContact O-N 2.92Å; A64-R84 HydrophobicContact CB-CG 4.04Å; D68-R84 IonicContact OD1-NH1 3.26Å; D68-R84 PolarHBondContact OD1-NH1 2.56Å; D68-R84 WeakPolarHBondContact OD2-CD 3.49Å; D68-R84 IonicContact OD2-NH1 3.26Å; D68-R84 PolarHBondContact OD2-NH1 3.27Å; L75-R84 HydrophobicContact CD1-CG 4.12Å; Q82-R84 PolarHBondContact O-N 2.8Å; R84-S88 WeakPolarHBondContact O-CB 3.49Å; R84-S88 PolarHBondContact O-N 3.04Å; R84-S88 PolarHBondContact O-OG 2.93Å |
| 85 | A | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.2 | -48 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | M37 V58 D60 N83 S88 I89 A103 | M37-A85 HydrophobicContact CG-CB 4.15Å; V58-A85 HydrophobicContact CG2-CB 4.2Å; D60-A85 HydrophobicContact CB-CB 3.83Å; N83-A85 PolarHBondContact O-N 3.13Å; N83-A85 WeakPolarHBondContact OD1-CB 3.44Å; N83-A85 PolarHBondContact OD1-N 3.42Å; A85-S88 PolarHBondContact O-N 3.36Å; A85-I89 WeakPolarHBondContact O-CG1 3.32Å; A85-A103 HydrophobicContact CB-CB 4.16Å |
| 86 | T | 98.2 | Very high | 97.7 | Very high | 75 Ų | 75 | 41.5 Ų | 41.5 | 46% | 0.46 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.2 | -45.9 | -179.6 | -53.6 | 0 | 0 | 0 | 0 | 111.9 | N83 S88 I89 T105 | N83-T86 PolarHBondContact O-N 3.03Å; N83-T86 PolarHBondContact OD1-N 3.43Å; N83-T86 PolarHBondContact OD1-OG1 2.81Å; N83-T86 VanDerWaalsContact OD1-OG1 3.07Å; T86-S88 PolarHBondContact O-N 2.81Å; T86-I89 PolarHBondContact O-N 3.09Å; T86-T105 WeakPolarHBondContact OG1-CG2 3.25Å |
| 87 | S | 98.3 | Very high | 97.6 | Very high | 11 Ų | 11 | 43.4 Ų | 43.4 | 8% | 0.077 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.5 | -24.8 | 179.4 | -66.5 | 0 | 0 | 0 | 0 | 113.4 | N83 Q91 | N83-S87 PolarHBondContact O-N 3.49Å; N83-S87 PolarHBondContact O-OG 2.68Å; S87-Q91 PolarHBondContact O-OE1 2.78Å; S87-Q91 VanDerWaalsContact O-OE1 3.1Å |
| 88 | S | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -86.7 | -15.8 | -178.4 | -55.8 | 0 | 0 | 0 | 0 | 114.3 | Q72 R84 A85 T86 Q91 L92 | Q72-S88 PolarHBondContact NE2-OG 3.42Å; R84-S88 WeakPolarHBondContact O-CB 3.49Å; R84-S88 PolarHBondContact O-N 3.04Å; R84-S88 PolarHBondContact O-OG 2.93Å; A85-S88 PolarHBondContact O-N 3.36Å; T86-S88 PolarHBondContact O-N 2.81Å; S88-Q91 PolarHBondContact O-N 3.14Å; S88-Q91 PolarHBondContact O-OE1 3.41Å; S88-L92 WeakPolarHBondContact O-CB 3.33Å; S88-L92 VanDerWaalsContact O-CG 3.27Å; S88-L92 WeakPolarHBondContact O-CG 3.28Å; S88-L92 PolarHBondContact O-N 3.1Å |
| 89 | I | 98.3 | Very high | 97.6 | Very high | 35 Ų | 35 | 39.7 Ų | 39.7 | 18% | 0.179 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.8 | -45.8 | -173.3 | -68 | -59.9 | 0 | 0 | 0 | 113.7 | V58 A85 T86 Q91 L92 T93 V101 S102 A103 | V58-I89 HydrophobicContact CG2-CD1 3.63Å; A85-I89 WeakPolarHBondContact O-CG1 3.32Å; T86-I89 PolarHBondContact O-N 3.09Å; I89-Q91 VanDerWaalsContact C-N 3.32Å; I89-Q91 PolarHBondContact O-N 3.4Å; I89-L92 PolarHBondContact O-N 3.18Å; I89-T93 VanDerWaalsContact O-CB 3.31Å; I89-T93 WeakPolarHBondContact O-CB 3.46Å; I89-T93 PolarHBondContact O-N 3.29Å; I89-T93 PolarHBondContact O-OG1 3.02Å; I89-V101 HydrophobicContact CD1-CG1 3.87Å; I89-S102 VanDerWaalsContact CD1-C 3.43Å; I89-A103 HydrophobicContact CD1-CB 3.79Å; I89-A103 HydrophobicContact CG1-CB 3.71Å |
| 90 | P | 97.5 | Very high | 97.7 | Very high | 84 Ų | 84 | 45.4 Ų | 45.4 | 55% | 0.545 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -58.5 | -44 | -176.9 | -25.5 | 35.6 | 0 | 0 | 0 | 112.6 | A94 | P90-A94 WeakPolarHBondContact O-CB 3.16Å; P90-A94 PolarHBondContact O-N 3.26Å |
| 91 | Q | 97.8 | Very high | 97.7 | Very high | 42 Ų | 42 | 43.5 Ų | 43.5 | 20% | 0.196 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -74 | -41.7 | -177.6 | -59.2 | 81.1 | -4.7 | 0 | 0 | 111.2 | F74 S87 S88 I89 A94 | F74-Q91 HydrophobicContact CB-CB 4.06Å; F74-Q91 HydrophobicContact CB-CG 4.1Å; F74-Q91 HydrophobicContact CD1-CB 3.45Å; F74-Q91 VanDerWaalsContact CD1-CB 3.45Å; F74-Q91 HydrophobicContact CD1-CG 3.77Å; F74-Q91 HydrophobicContact CD2-CB 3.68Å; F74-Q91 HydrophobicContact CE1-CB 3.68Å; F74-Q91 HydrophobicContact CE1-CG 4.33Å; F74-Q91 HydrophobicContact CE2-CB 3.89Å; F74-Q91 HydrophobicContact CG-CB 3.47Å; F74-Q91 VanDerWaalsContact CG-CB 3.47Å; F74-Q91 HydrophobicContact CG-CG 3.94Å; F74-Q91 HydrophobicContact CZ-CB 3.89Å; S87-Q91 PolarHBondContact O-OE1 2.78Å; S87-Q91 VanDerWaalsContact O-OE1 3.1Å; S88-Q91 PolarHBondContact O-N 3.14Å; S88-Q91 PolarHBondContact O-OE1 3.41Å; I89-Q91 VanDerWaalsContact C-N 3.32Å; I89-Q91 PolarHBondContact O-N 3.4Å; Q91-A94 PolarHBondContact O-N 3.47Å |
| 92 | L | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63 | -45.6 | 177.2 | -73.3 | 169.4 | 0 | 0 | 0 | 111.8 | M37 V42 A45 I49 V58 F74 S88 I89 A94 L95 V101 | M37-L92 HydrophobicContact CE-CD1 4.37Å; V42-L92 HydrophobicContact CG2-CD2 4.32Å; A45-L92 HydrophobicContact CB-CD1 4.46Å; A45-L92 HydrophobicContact CB-CD2 3.81Å; I49-L92 HydrophobicContact CD1-CB 3.77Å; I49-L92 HydrophobicContact CD1-CD2 3.62Å; I49-L92 HydrophobicContact CD1-CG 4.21Å; V58-L92 HydrophobicContact CG1-CD1 4Å; V58-L92 HydrophobicContact CG2-CD1 4.3Å; F74-L92 HydrophobicContact CD2-CD2 4.1Å; F74-L92 HydrophobicContact CD2-CG 4.07Å; F74-L92 HydrophobicContact CE2-CD2 3.72Å; F74-L92 HydrophobicContact CE2-CG 4.02Å; S88-L92 WeakPolarHBondContact O-CB 3.33Å; S88-L92 VanDerWaalsContact O-CG 3.27Å; S88-L92 WeakPolarHBondContact O-CG 3.28Å; S88-L92 PolarHBondContact O-N 3.1Å; I89-L92 PolarHBondContact O-N 3.18Å; L92-A94 PolarHBondContact O-N 3.24Å; L92-L95 HydrophobicContact CD2-CD1 4.27Å; L92-L95 WeakPolarHBondContact O-CB 3.35Å; L92-L95 PolarHBondContact O-N 3.37Å; L92-V101 HydrophobicContact CB-CG1 3.97Å |
| 93 | T | 98.1 | Very high | 97.8 | Very high | 63 Ų | 63 | 40.3 Ų | 40.3 | 39% | 0.387 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.3 | -35 | 178 | -54.2 | 0 | 0 | 0 | 0 | 111.5 | I89 L95 | I89-T93 VanDerWaalsContact O-CB 3.31Å; I89-T93 WeakPolarHBondContact O-CB 3.46Å; I89-T93 PolarHBondContact O-N 3.29Å; I89-T93 PolarHBondContact O-OG1 3.02Å; T93-L95 PolarHBondContact O-N 3.49Å |
| 94 | A | 97.3 | Very high | 97.8 | Very high | 49 Ų | 49 | 41.6 Ų | 41.6 | 41% | 0.405 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -10.6 | -179 | 0 | 0 | 0 | 0 | 0 | 114.3 | P90 Q91 L92 R474 | P90-A94 WeakPolarHBondContact O-CB 3.16Å; P90-A94 PolarHBondContact O-N 3.26Å; Q91-A94 PolarHBondContact O-N 3.47Å; L92-A94 PolarHBondContact O-N 3.24Å; A94-R474 VanDerWaalsContact O-CD 3.27Å; A94-R474 WeakPolarHBondContact O-CD 3.32Å; A94-R474 PolarHBondContact O-NE 3.09Å |
| 95 | L | 97.9 | Very high | 97.7 | Very high | 9 Ų | 9 | 43.9 Ų | 43.9 | 5% | 0.047 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -40.9 | -179 | -68.4 | 178.2 | 0 | 0 | 0 | 112.7 | K46 I49 L50 F74 L92 T93 F471 | K46-L95 HydrophobicContact CB-CD1 4.06Å; K46-L95 HydrophobicContact CG-CD1 3.89Å; I49-L95 HydrophobicContact CG2-CB 3.87Å; I49-L95 HydrophobicContact CG2-CD1 4.49Å; L50-L95 HydrophobicContact CD2-CB 4.13Å; L50-L95 HydrophobicContact CG-CB 4.48Å; F74-L95 HydrophobicContact CE2-CD1 4.23Å; F74-L95 HydrophobicContact CZ-CD1 4.2Å; F74-L95 HydrophobicContact CZ-CD2 4.21Å; F74-L95 HydrophobicContact CZ-CG 4.39Å; L92-L95 HydrophobicContact CD2-CD1 4.27Å; L92-L95 WeakPolarHBondContact O-CB 3.35Å; L92-L95 PolarHBondContact O-N 3.37Å; T93-L95 PolarHBondContact O-N 3.49Å; L95-F471 HydrophobicContact CD2-CB 3.99Å; L95-F471 HydrophobicContact CD2-CD2 4.27Å |
| 96 | N | 97.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -147 | 111.6 | -175.1 | -168.8 | -17.3 | 0 | 0 | 0 | 110.8 | F11 Y12 I49 H98 V99 | F11-N96 HydrophobicContact CZ-CB 4.37Å; Y12-N96 PolarHBondContact OH-ND2 3.4Å; Y12-N96 PolarHBondContact OH-OD1 3.25Å; I49-N96 HydrophobicContact CG2-CB 3.68Å; I49-N96 WeakPolarHBondContact O-CB 3.44Å; I49-N96 PolarHBondContact O-ND2 2.99Å; N96-H98 PolarHBondContact O-N 3.32Å; N96-H98 VanDerWaalsContact O-N 3.11Å; N96-H98 WeakPolarHBondContact OD1-CB 3.41Å; N96-H98 PolarHBondContact OD1-CD2 2.86Å; N96-H98 PolarHBondContact OD1-N 3.02Å; N96-V99 HydrophobicContact CB-CG2 4.07Å; N96-V99 PolarHBondContact O-N 3.22Å | ||
| 97 | P | 94.1 | Very high | 97.5 | Very high | 96 Ų | 96 | 44.9 Ų | 44.9 | 62% | 0.623 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -11 | -178 | 30 | -36.4 | 0 | 0 | 0 | 113.6 | ||
| 98 | H | 95.6 | Very high | 97.3 | Very high | 95 Ų | 95 | 45.6 Ų | 45.6 | 44% | 0.44 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -5.6 | -179 | -57.7 | -67.7 | 0 | 0 | 0 | 113.6 | D8 Y12 N96 | D8-H98 IonicContact OD2-CE1 2.71Å; D8-H98 IonicContact OD2-NE2 3.26Å; D8-H98 PolarHBondContact OD2-NE2 3.2Å; Y12-H98 AromaticContact CE2-CD2 3.97Å; N96-H98 PolarHBondContact O-N 3.32Å; N96-H98 VanDerWaalsContact O-N 3.11Å; N96-H98 WeakPolarHBondContact OD1-CB 3.41Å; N96-H98 PolarHBondContact OD1-CD2 2.86Å; N96-H98 PolarHBondContact OD1-N 3.02Å |
| 99 | V | 97.9 | Very high | 97.2 | Very high | 7 Ų | 7 | 48.5 Ų | 48.5 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -114.1 | 127.3 | -176.8 | -176 | 0 | 0 | 0 | 0 | 110 | I49 V53 V56 N96 V101 | I49-V99 HydrophobicContact CG1-CG1 4.37Å; I49-V99 HydrophobicContact CG2-CB 4.21Å; I49-V99 HydrophobicContact CG2-CG1 4.44Å; I49-V99 HydrophobicContact CG2-CG2 4.42Å; I49-V99 VanDerWaalsContact O-CG2 3.31Å; I49-V99 WeakPolarHBondContact O-CG2 3.43Å; V53-V99 HydrophobicContact CG2-CG1 4.05Å; V53-V99 WeakPolarHBondContact O-CG2 3.44Å; V56-V99 HydrophobicContact CG2-CG1 4.09Å; N96-V99 HydrophobicContact CB-CG2 4.07Å; N96-V99 PolarHBondContact O-N 3.22Å; V99-V101 HydrophobicContact CG1-CG2 4.37Å |
| 100 | F | 98.3 | Very high | 97.1 | Very high | 137 Ų | 137 | 49.9 Ų | 49.9 | 60% | 0.601 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 126.8 | 172.5 | -178.7 | -99.5 | 0 | 0 | 0 | 110.4 | K54 S55 V56 | K54-F100 PolarHBondContact O-N 3.08Å; S55-F100 CarbonylContact C-O 3.59Å; S55-F100 WeakPolarHBondContact CA-O 3.27Å; S55-F100 WeakPolarHBondContact CB-O 3.41Å; V56-F100 PolarHBondContact N-O 3.1Å |
| 101 | V | 98.7 | Very high | 97.1 | Very high | 12 Ų | 12 | 52 Ų | 52 | 7% | 0.073 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 129.2 | -179.2 | -171.3 | 0 | 0 | 0 | 0 | 110.1 | I49 V56 I89 L92 V99 | I49-V101 HydrophobicContact CD1-CG1 4.26Å; I49-V101 HydrophobicContact CD1-CG2 3.79Å; I49-V101 HydrophobicContact CG1-CG2 4.12Å; V56-V101 VanDerWaalsContact O-CA 3.31Å; V56-V101 WeakPolarHBondContact O-CA 3.28Å; I89-V101 HydrophobicContact CD1-CG1 3.87Å; L92-V101 HydrophobicContact CB-CG1 3.97Å; V99-V101 HydrophobicContact CG1-CG2 4.37Å |
| 102 | S | 98.6 | Very high | 97 | Very high | 32 Ų | 32 | 51 Ų | 51 | 22% | 0.224 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 156.4 | 178.7 | 43.6 | 0 | 0 | 0 | 0 | 112.5 | V56 T57 V58 I89 | V56-S102 PolarHBondContact O-N 3.4Å; V56-S102 VanDerWaalsContact O-N 3.1Å; T57-S102 CarbonylContact C-O 3.58Å; T57-S102 VanDerWaalsContact CA-O 3.31Å; T57-S102 WeakPolarHBondContact CA-O 3.09Å; T57-S102 PolarHBondContact OG1-OG 3.28Å; V58-S102 WeakPolarHBondContact CG2-O 3.36Å; V58-S102 PolarHBondContact N-O 3.24Å; I89-S102 VanDerWaalsContact CD1-C 3.43Å |
| 103 | A | 98.3 | Very high | 97 | Very high | 40 Ų | 40 | 51 Ų | 51 | 33% | 0.331 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 142.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | V58 A85 I89 | V58-A103 HydrophobicContact CG2-CB 4.44Å; V58-A103 CarbonylContact O-C 3.52Å; V58-A103 VanDerWaalsContact O-CA 3.3Å; V58-A103 WeakPolarHBondContact O-CA 3.13Å; A85-A103 HydrophobicContact CB-CB 4.16Å; I89-A103 HydrophobicContact CD1-CB 3.79Å; I89-A103 HydrophobicContact CG1-CB 3.71Å |
| 104 | H | 98.1 | Very high | 97 | Very high | 57 Ų | 57 | 52.3 Ų | 52.3 | 26% | 0.264 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 122.2 | 163.8 | -176.2 | 67.8 | 0 | 0 | 0 | 109.3 | T57 V58 Q59 D60 G106 P107 | T57-H104 HydrophobicContact CG2-CB 4.07Å; V58-H104 PolarHBondContact O-N 2.98Å; Q59-H104 VanDerWaalsContact CA-O 3.25Å; Q59-H104 WeakPolarHBondContact CA-O 3.48Å; Q59-H104 HydrophobicContact CB-CB 4.23Å; Q59-H104 HydrophobicContact CG-CB 4.07Å; D60-H104 PolarHBondContact N-O 3.23Å; D60-H104 VanDerWaalsContact N-O 3.16Å; H104-G106 PolarHBondContact CD2-O 3.02Å; H104-G106 PolarHBondContact NE2-O 3.37Å; H104-P107 PolarHBondContact NE2-O 3.36Å |
| 105 | T | 97.1 | Very high | 97 | Very high | 77 Ų | 77 | 54.3 Ų | 54.3 | 47% | 0.472 | 30% | 0.302 | S | S | . | . | trans | -104.2 | -3.5 | -176.2 | 57.9 | 0 | 0 | 0 | 0 | 113.6 | N83 T86 | N83-T105 WeakPolarHBondContact OD1-CG2 3.4Å; T86-T105 WeakPolarHBondContact OG1-CG2 3.25Å | ||
| 106 | G | 95.4 | Very high | 97 | Very high | 21 Ų | 21 | 55 Ų | 55 | 22% | 0.216 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -87 | 174.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q59 H104 | Q59-G106 PolarHBondContact NE2-O 3.02Å; H104-G106 PolarHBondContact CD2-O 3.02Å; H104-G106 PolarHBondContact NE2-O 3.37Å |
| 107 | P | 95.6 | Very high | 97.1 | Very high | 75 Ų | 75 | 58.9 Ų | 58.9 | 49% | 0.487 | 32% | 0.322 | S | S | . | . | trans | -66.8 | 153.8 | 177.3 | 28.9 | -35.8 | 0 | 0 | 0 | 111.6 | E61 H104 | E61-P107 WeakPolarHBondContact OE1-CA 3.23Å; H104-P107 PolarHBondContact NE2-O 3.36Å | ||
| 108 | L | 95.5 | Very high | 97.3 | Very high | 27 Ų | 27 | 54.3 Ų | 54.3 | 14% | 0.141 | 29% | 0.292 | C | S | . | . | trans | -65.9 | 139.7 | 168.2 | -67.2 | 177.9 | 0 | 0 | 0 | 110.5 | L33 A35 Q59 L112 L121 F132 | L33-L108 HydrophobicContact CD2-CD2 3.93Å; A35-L108 HydrophobicContact CB-CD1 3.78Å; A35-L108 HydrophobicContact CB-CD2 4.2Å; A35-L108 HydrophobicContact CB-CG 4.42Å; Q59-L108 HydrophobicContact CB-CD2 4.37Å; Q59-L108 HydrophobicContact CG-CD2 3.8Å; Q59-L108 HydrophobicContact CG-CG 4.43Å; L108-L112 HydrophobicContact CD2-CD2 3.99Å; L108-L121 HydrophobicContact CD1-CD2 3.46Å; L108-L121 VanDerWaalsContact CD1-CD2 3.46Å; L108-F132 HydrophobicContact CB-CD2 4.49Å; L108-F132 HydrophobicContact CB-CE1 4.33Å; L108-F132 HydrophobicContact CB-CE2 3.66Å; L108-F132 HydrophobicContact CB-CZ 3.56Å; L108-F132 HydrophobicContact CD1-CD2 4.26Å; L108-F132 HydrophobicContact CD1-CE2 4.01Å | ||
| 109 | N | 95.4 | Very high | 97.5 | Very high | 60 Ų | 60 | 49.8 Ų | 49.8 | 32% | 0.321 | 27% | 0.272 | S | S | . | . | trans | -149.3 | 164.1 | 172.1 | 63.7 | 68.3 | 0 | 0 | 0 | 109.8 | D111 L112 L113 | N109-D111 VanDerWaalsContact C-N 3.33Å; N109-D111 PolarHBondContact O-N 3.29Å; N109-D111 WeakPolarHBondContact OD1-CB 3.5Å; N109-D111 PolarHBondContact OD1-N 2.85Å; N109-L112 WeakPolarHBondContact O-CB 3.41Å; N109-L112 PolarHBondContact O-N 3.11Å; N109-L112 PolarHBondContact OD1-N 3.24Å; N109-L113 WeakPolarHBondContact O-CG 3.28Å; N109-L113 PolarHBondContact O-N 3.3Å | ||
| 110 | E | 96.4 | Very high | 97.5 | Very high | 65 Ų | 65 | 49.5 Ų | 49.5 | 30% | 0.304 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.1 | -37.3 | -173.9 | -71.4 | 165 | -139.5 | 0 | 0 | 112.7 | L112 L113 L114 R131 F135 | E110-L112 VanDerWaalsContact C-N 3.32Å; E110-L112 PolarHBondContact O-N 2.84Å; E110-L113 PolarHBondContact O-N 3.37Å; E110-L114 PolarHBondContact O-N 2.9Å; E110-R131 IonicContact OE1-CZ 2.62Å; E110-R131 IonicContact OE1-NE 3.13Å; E110-R131 PolarHBondContact OE1-NE 3.49Å; E110-R131 IonicContact OE1-NH2 3.42Å; E110-R131 PolarHBondContact OE1-NH2 3.25Å; E110-F135 HydrophobicContact CB-CD1 4.42Å; E110-F135 HydrophobicContact CB-CD2 3.9Å; E110-F135 HydrophobicContact CB-CE1 4.09Å; E110-F135 HydrophobicContact CB-CE2 3.52Å; E110-F135 HydrophobicContact CB-CG 4.33Å; E110-F135 HydrophobicContact CB-CZ 3.63Å; E110-F135 HydrophobicContact CG-CB 4.43Å; E110-F135 HydrophobicContact CG-CD1 4.26Å; E110-F135 HydrophobicContact CG-CD2 3.51Å; E110-F135 HydrophobicContact CG-CE1 4.43Å; E110-F135 HydrophobicContact CG-CE2 3.71Å; E110-F135 HydrophobicContact CG-CG 3.81Å; E110-F135 HydrophobicContact CG-CZ 4.17Å; E110-F135 WeakPolarHBondContact O-CE1 3.29Å |
| 111 | D | 96.5 | Very high | 97.5 | Very high | 128 Ų | 128 | 43 Ų | 43 | 68% | 0.684 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -64.7 | -36.6 | 177.3 | -63.3 | -32.6 | 0 | 0 | 0 | 112 | N109 N115 | N109-D111 VanDerWaalsContact C-N 3.33Å; N109-D111 PolarHBondContact O-N 3.29Å; N109-D111 WeakPolarHBondContact OD1-CB 3.5Å; N109-D111 PolarHBondContact OD1-N 2.85Å; D111-N115 PolarHBondContact O-ND2 2.81Å |
| 112 | L | 96.4 | Very high | 97.5 | Very high | 22 Ų | 22 | 42.7 Ų | 42.7 | 12% | 0.115 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.2 | -45.9 | 173.9 | 178.1 | 65.6 | 0 | 0 | 0 | 110.8 | L108 N109 E110 L114 N115 Y116 | L108-L112 HydrophobicContact CD2-CD2 3.99Å; N109-L112 WeakPolarHBondContact O-CB 3.41Å; N109-L112 PolarHBondContact O-N 3.11Å; N109-L112 PolarHBondContact OD1-N 3.24Å; E110-L112 VanDerWaalsContact C-N 3.32Å; E110-L112 PolarHBondContact O-N 2.84Å; L112-L114 VanDerWaalsContact C-N 3.27Å; L112-L114 PolarHBondContact O-N 3.05Å; L112-N115 WeakPolarHBondContact O-CB 3.45Å; L112-N115 PolarHBondContact O-N 3.05Å; L112-N115 PolarHBondContact O-ND2 2.83Å; L112-Y116 HydrophobicContact CD1-CE2 3.89Å; L112-Y116 HydrophobicContact CG-CE2 4.06Å; L112-Y116 VanDerWaalsContact O-CD2 3.28Å; L112-Y116 WeakPolarHBondContact O-CD2 3.31Å; L112-Y116 VanDerWaalsContact O-CE2 3.23Å; L112-Y116 WeakPolarHBondContact O-CE2 3.12Å |
| 113 | L | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.6 | -32.4 | -175.8 | -63.1 | -175.3 | 0 | 0 | 0 | 112.9 | L33 N109 E110 N115 Y116 V119 F132 F135 I141 | L33-L113 HydrophobicContact CD2-CD2 3.46Å; L33-L113 VanDerWaalsContact CD2-CD2 3.46Å; N109-L113 WeakPolarHBondContact O-CG 3.28Å; N109-L113 PolarHBondContact O-N 3.3Å; E110-L113 PolarHBondContact O-N 3.37Å; L113-N115 PolarHBondContact O-N 2.76Å; L113-Y116 PolarHBondContact O-N 3.29Å; L113-Y116 VanDerWaalsContact O-N 3.09Å; L113-V119 HydrophobicContact CD2-CG1 3.91Å; L113-V119 HydrophobicContact CD2-CG2 3.9Å; L113-F132 HydrophobicContact CD1-CB 3.83Å; L113-F132 HydrophobicContact CD1-CD1 3.43Å; L113-F132 VanDerWaalsContact CD1-CD1 3.43Å; L113-F132 HydrophobicContact CD1-CE1 4.22Å; L113-F132 HydrophobicContact CD1-CG 3.84Å; L113-F135 HydrophobicContact CB-CD1 4.29Å; L113-F135 HydrophobicContact CB-CE1 4.1Å; L113-F135 HydrophobicContact CD1-CD1 4.12Å; L113-I141 HydrophobicContact CB-CD1 4.44Å; L113-I141 WeakPolarHBondContact O-CD1 3.34Å |
| 114 | L | 98.2 | Very high | 97 | Very high | 90 Ų | 90 | 43 Ų | 43 | 47% | 0.471 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -16.6 | 178.2 | -71.7 | 172.3 | 0 | 0 | 0 | 114.2 | E110 L112 Y116 F135 H139 | E110-L114 PolarHBondContact O-N 2.9Å; L112-L114 VanDerWaalsContact C-N 3.27Å; L112-L114 PolarHBondContact O-N 3.05Å; L114-Y116 VanDerWaalsContact C-N 3.3Å; L114-F135 HydrophobicContact CD1-CZ 4.24Å; L114-F135 HydrophobicContact CD2-CE1 3.97Å; L114-F135 HydrophobicContact CD2-CZ 3.79Å; L114-F135 HydrophobicContact CG-CE1 4.03Å; L114-F135 HydrophobicContact CG-CZ 3.8Å; L114-H139 HydrophobicContact CD2-CB 4.33Å |
| 115 | N | 97.7 | Very high | 96.9 | Very high | 90 Ų | 90 | 42.6 Ų | 42.6 | 48% | 0.481 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -1.1 | 179 | -54.1 | -65.4 | 0 | 0 | 0 | 113.6 | D111 L112 L113 | D111-N115 PolarHBondContact O-ND2 2.81Å; L112-N115 WeakPolarHBondContact O-CB 3.45Å; L112-N115 PolarHBondContact O-N 3.05Å; L112-N115 PolarHBondContact O-ND2 2.83Å; L113-N115 PolarHBondContact O-N 2.76Å |
| 116 | Y | 98.5 | Very high | 96.9 | Very high | 25 Ų | 25 | 39.9 Ų | 39.9 | 10% | 0.098 | 22% | 0.221 | C | C | . | . | trans | -125.6 | 147.9 | -172.8 | -56.6 | -78.7 | 0 | 0 | 0 | 111.7 | E31 L33 T57 L112 L113 L114 | E31-Y116 HydrophobicContact CB-CD1 4.08Å; L33-Y116 HydrophobicContact CB-CD1 3.84Å; L33-Y116 HydrophobicContact CB-CD2 3.71Å; L33-Y116 HydrophobicContact CB-CE1 4.09Å; L33-Y116 HydrophobicContact CB-CE2 3.97Å; L33-Y116 HydrophobicContact CB-CG 3.64Å; L33-Y116 HydrophobicContact CD1-CE2 4.1Å; L33-Y116 HydrophobicContact CD2-CD2 3.97Å; L33-Y116 HydrophobicContact CD2-CE2 3.98Å; L33-Y116 HydrophobicContact CG-CD2 4.33Å; L33-Y116 HydrophobicContact CG-CE2 4.25Å; T57-Y116 VanDerWaalsContact CB-OH 3.25Å; T57-Y116 WeakPolarHBondContact CB-OH 3.44Å; T57-Y116 WeakPolarHBondContact CG2-OH 3.24Å; T57-Y116 PolarHBondContact OG1-OH 3.43Å; T57-Y116 VanDerWaalsContact OG1-OH 3.14Å; L112-Y116 HydrophobicContact CD1-CE2 3.89Å; L112-Y116 HydrophobicContact CG-CE2 4.06Å; L112-Y116 VanDerWaalsContact O-CD2 3.28Å; L112-Y116 WeakPolarHBondContact O-CD2 3.31Å; L112-Y116 VanDerWaalsContact O-CE2 3.23Å; L112-Y116 WeakPolarHBondContact O-CE2 3.12Å; L113-Y116 PolarHBondContact O-N 3.29Å; L113-Y116 VanDerWaalsContact O-N 3.09Å; L114-Y116 VanDerWaalsContact C-N 3.3Å | ||
| 117 | Q | 98.4 | Very high | 96.9 | Very high | 80 Ų | 80 | 42.7 Ų | 42.7 | 37% | 0.374 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -90.9 | -27.9 | 173.7 | -66.9 | 82.8 | 57 | 0 | 0 | 111.8 | E31 K142 | E31-Q117 PolarHBondContact O-N 3.21Å; E31-Q117 PolarHBondContact OE2-NE2 3.32Å; Q117-K142 PolarHBondContact O-N 3.31Å |
| 118 | V | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 130.9 | 176.5 | -169.7 | 0 | 0 | 0 | 0 | 109.7 | E31 V32 L33 K142 I144 V363 A366 | E31-V118 PolarHBondContact O-N 3.38Å; V32-V118 WeakPolarHBondContact CA-O 3.49Å; V32-V118 HydrophobicContact CG1-CB 4.33Å; V32-V118 HydrophobicContact CG2-CB 4.3Å; L33-V118 PolarHBondContact N-O 3.46Å; V118-K142 CarbonylContact C-O 3.59Å; V118-K142 WeakPolarHBondContact CA-O 3.36Å; V118-K142 HydrophobicContact CG1-CB 4.33Å; V118-K142 HydrophobicContact CG2-CB 4.2Å; V118-K142 HydrophobicContact CG2-CG 4.48Å; V118-I144 HydrophobicContact CG1-CD1 4.17Å; V118-V363 HydrophobicContact CG1-CB 4.49Å; V118-V363 HydrophobicContact CG1-CG1 4.23Å; V118-V363 HydrophobicContact CG1-CG2 4.12Å; V118-A366 HydrophobicContact CG1-CB 4.25Å; V118-A366 HydrophobicContact CG2-CB 3.92Å |
| 119 | V | 98.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 124.3 | 177.7 | 173.9 | 0 | 0 | 0 | 0 | 108.8 | L33 L113 I141 K142 F143 I144 | L33-V119 HydrophobicContact CB-CG2 4.33Å; L33-V119 HydrophobicContact CD2-CG1 4.33Å; L33-V119 HydrophobicContact CD2-CG2 4.4Å; L113-V119 HydrophobicContact CD2-CG1 3.91Å; L113-V119 HydrophobicContact CD2-CG2 3.9Å; V119-I141 HydrophobicContact CB-CG2 4.33Å; V119-I141 HydrophobicContact CG2-CG2 3.65Å; V119-K142 PolarHBondContact N-O 3.35Å; V119-F143 HydrophobicContact CB-CD2 4.37Å; V119-F143 HydrophobicContact CG1-CD2 4.23Å; V119-F143 HydrophobicContact CG1-CE2 4.41Å; V119-F143 WeakPolarHBondContact O-CA 3.44Å; V119-I144 PolarHBondContact O-N 2.96Å |
| 120 | V | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 124.2 | 175.8 | -170.4 | 0 | 0 | 0 | 0 | 109 | L33 I34 A35 I44 T122 I144 V146 V363 | L33-V120 PolarHBondContact O-N 3.21Å; I34-V120 HydrophobicContact CG1-CB 4.33Å; I34-V120 HydrophobicContact CG1-CG2 4.37Å; A35-V120 PolarHBondContact N-O 3.4Å; I44-V120 HydrophobicContact CD1-CG1 4.13Å; V120-T122 HydrophobicContact CG1-CG2 4.45Å; V120-I144 CarbonylContact C-O 3.48Å; V120-I144 WeakPolarHBondContact CA-O 3.48Å; V120-I144 HydrophobicContact CG1-CB 4.36Å; V120-I144 HydrophobicContact CG1-CG2 4.24Å; V120-I144 HydrophobicContact CG2-CB 4.3Å; V120-I144 HydrophobicContact CG2-CD1 4.42Å; V120-V146 HydrophobicContact CG1-CG1 4.17Å; V120-V363 HydrophobicContact CG2-CG2 3.51Å |
| 121 | L | 98.7 | Very high | 97.3 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 133.7 | 171.4 | -75 | 170.6 | 0 | 0 | 0 | 110.4 | A35 L108 Q129 F132 F143 I144 V145 V146 | A35-L121 HydrophobicContact CB-CD2 3.89Å; L108-L121 HydrophobicContact CD1-CD2 3.46Å; L108-L121 VanDerWaalsContact CD1-CD2 3.46Å; L121-Q129 HydrophobicContact CD1-CG 4.27Å; L121-F132 HydrophobicContact CD1-CB 4.42Å; L121-F143 HydrophobicContact CD1-CE2 3.43Å; L121-F143 VanDerWaalsContact CD1-CE2 3.43Å; L121-F143 HydrophobicContact CD1-CZ 3.36Å; L121-F143 HydrophobicContact CG-CE2 4.07Å; L121-F143 HydrophobicContact CG-CZ 4.35Å; L121-I144 PolarHBondContact N-O 3.22Å; L121-V145 HydrophobicContact CB-CG2 4.35Å; L121-V145 HydrophobicContact CD1-CG2 4.49Å; L121-V145 WeakPolarHBondContact O-CA 3.49Å; L121-V146 PolarHBondContact O-N 2.93Å |
| 122 | T | 98.1 | Very high | 97.3 | Very high | 5 Ų | 5 | 38.1 Ų | 38.1 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | trans | -128 | 148.4 | 169.1 | 70.4 | 0 | 0 | 0 | 0 | 109.5 | A35 G36 L40 I44 V120 S124 V146 | A35-T122 PolarHBondContact O-N 3.29Å; A35-T122 PolarHBondContact O-OG1 2.87Å; G36-T122 WeakPolarHBondContact CA-OG1 3.37Å; G36-T122 PolarHBondContact O-OG1 3.21Å; L40-T122 HydrophobicContact CD2-CG2 4.24Å; L40-T122 HydrophobicContact CG-CG2 4.23Å; I44-T122 HydrophobicContact CD1-CG2 3.8Å; V120-T122 HydrophobicContact CG1-CG2 4.45Å; T122-S124 PolarHBondContact O-N 3.28Å; T122-V146 WeakPolarHBondContact CA-O 3.47Å; T122-V146 HydrophobicContact CG2-CG1 3.73Å | ||
| 123 | D | 91 | Very high | 97.4 | Very high | 58 Ų | 58 | 37 Ų | 37 | 31% | 0.31 | 19% | 0.186 | S | C | . | . | S | Bend | trans | 51.4 | 33.7 | 175 | -77.6 | -36.3 | 0 | 0 | 0 | 114.4 | K38 D147 K149 | K38-D123 WeakPolarHBondContact CD-OD2 3.06Å; D123-D147 WeakPolarHBondContact CA-OD1 3.33Å; D123-D147 PolarHBondContact N-OD1 3.37Å; D123-K149 IonicContact OD1-NZ 2.83Å; D123-K149 PolarHBondContact OD1-NZ 2.95Å |
| 124 | S | 95.2 | Very high | 97.4 | Very high | 19 Ų | 19 | 41.9 Ų | 41.9 | 13% | 0.133 | 21% | 0.209 | C | C | . | . | trans | -98.5 | 158.4 | -175.7 | 54.2 | 0 | 0 | 0 | 0 | 112.6 | T122 Q129 H295 | T122-S124 PolarHBondContact O-N 3.28Å; S124-Q129 PolarHBondContact O-NE2 3.16Å; S124-Q129 WeakPolarHBondContact OG-CG 3.38Å; S124-Q129 PolarHBondContact OG-NE2 3.12Å; S124-Q129 VanDerWaalsContact OG-NE2 3.13Å; S124-H295 PolarHBondContact O-CE1 3.35Å | ||
| 125 | S | 96.1 | Very high | 97.4 | Very high | 49 Ų | 49 | 38.8 Ų | 38.8 | 34% | 0.343 | 19% | 0.192 | S | C | . | . | trans | -72.1 | 148.9 | 174.6 | 82.5 | 0 | 0 | 0 | 0 | 111 | D127 D128 Q129 | S125-D127 PolarHBondContact O-N 3.03Å; S125-D128 PolarHBondContact O-N 3.06Å; S125-D128 VanDerWaalsContact O-N 3.11Å; S125-D128 PolarHBondContact OG-N 3.43Å; S125-D128 VanDerWaalsContact OG-N 3.11Å; S125-D128 PolarHBondContact OG-OD2 3.21Å; S125-Q129 WeakPolarHBondContact O-CG 3.35Å; S125-Q129 PolarHBondContact O-N 2.92Å | ||
| 126 | L | 96.6 | Very high | 97.5 | Very high | 20 Ų | 20 | 34.5 Ų | 34.5 | 11% | 0.105 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.8 | -29.1 | 176.7 | -173 | 60.8 | 0 | 0 | 0 | 112.8 | K130 L267 H295 | L126-K130 HydrophobicContact CG-CD 4.42Å; L126-K130 WeakPolarHBondContact O-CB 3.38Å; L126-K130 VanDerWaalsContact O-CG 3.28Å; L126-K130 WeakPolarHBondContact O-CG 3.39Å; L126-K130 PolarHBondContact O-N 3.21Å; L126-L267 HydrophobicContact CD1-CD1 3.86Å; L126-H295 HydrophobicContact CB-CB 3.73Å; L126-H295 HydrophobicContact CD2-CB 4.18Å |
| 127 | D | 96.8 | Very high | 97.5 | Very high | 81 Ų | 81 | 34.5 Ų | 34.5 | 43% | 0.433 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -68.5 | -42.3 | 176.7 | -69.2 | -24.3 | 0 | 0 | 0 | 110.5 | S125 K130 R131 K299 | S125-D127 PolarHBondContact O-N 3.03Å; D127-K130 PolarHBondContact O-N 3.4Å; D127-R131 WeakPolarHBondContact O-CB 3.43Å; D127-R131 PolarHBondContact O-N 3.21Å; D127-K299 IonicContact OD1-NZ 3.97Å; D127-K299 PolarHBondContact OD1-NZ 2.94Å; D127-K299 IonicContact OD2-NZ 3.7Å; D127-K299 PolarHBondContact OD2-NZ 2.93Å |
| 128 | D | 96.4 | Very high | 97.4 | Very high | 63 Ų | 63 | 38.9 Ų | 38.9 | 34% | 0.337 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -67.9 | -42.3 | 174.1 | -65.6 | -42.8 | 0 | 0 | 0 | 111.7 | S125 K130 R131 F132 | S125-D128 PolarHBondContact O-N 3.06Å; S125-D128 VanDerWaalsContact O-N 3.11Å; S125-D128 PolarHBondContact OG-N 3.43Å; S125-D128 VanDerWaalsContact OG-N 3.11Å; S125-D128 PolarHBondContact OG-OD2 3.21Å; D128-K130 VanDerWaalsContact C-N 3.28Å; D128-K130 PolarHBondContact O-N 3.14Å; D128-R131 PolarHBondContact O-N 2.91Å; D128-F132 HydrophobicContact CB-CD2 3.95Å; D128-F132 HydrophobicContact CB-CE2 3.89Å; D128-F132 WeakPolarHBondContact O-CB 3.35Å; D128-F132 VanDerWaalsContact O-CD2 3.24Å; D128-F132 WeakPolarHBondContact O-CD2 3.45Å; D128-F132 PolarHBondContact O-N 2.84Å |
| 129 | Q | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.2 | -42.9 | 175.5 | -69.7 | 176.2 | 9.5 | 0 | 0 | 111.5 | L121 S124 S125 G133 F143 V145 D147 L263 | L121-Q129 HydrophobicContact CD1-CG 4.27Å; S124-Q129 PolarHBondContact O-NE2 3.16Å; S124-Q129 WeakPolarHBondContact OG-CG 3.38Å; S124-Q129 PolarHBondContact OG-NE2 3.12Å; S124-Q129 VanDerWaalsContact OG-NE2 3.13Å; S125-Q129 WeakPolarHBondContact O-CG 3.35Å; S125-Q129 PolarHBondContact O-N 2.92Å; Q129-G133 WeakPolarHBondContact O-CA 3.27Å; Q129-G133 PolarHBondContact O-N 2.9Å; Q129-F143 WeakPolarHBondContact O-CZ 3.37Å; Q129-V145 HydrophobicContact CG-CG1 4.16Å; Q129-V145 HydrophobicContact CG-CG2 4.19Å; Q129-D147 PolarHBondContact NE2-OD2 3.27Å; Q129-L263 HydrophobicContact CB-CD1 4Å |
| 130 | K | 97.8 | Very high | 97.3 | Very high | 69 Ų | 69 | 45 Ų | 45 | 30% | 0.3 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66.9 | -50.2 | 175.3 | -75.3 | 172.6 | 178.5 | 174 | 0 | 111.9 | L126 D127 D128 G133 E134 L263 L267 | L126-K130 HydrophobicContact CG-CD 4.42Å; L126-K130 WeakPolarHBondContact O-CB 3.38Å; L126-K130 VanDerWaalsContact O-CG 3.28Å; L126-K130 WeakPolarHBondContact O-CG 3.39Å; L126-K130 PolarHBondContact O-N 3.21Å; D127-K130 PolarHBondContact O-N 3.4Å; D128-K130 VanDerWaalsContact C-N 3.28Å; D128-K130 PolarHBondContact O-N 3.14Å; K130-G133 PolarHBondContact O-N 2.88Å; K130-E134 WeakPolarHBondContact O-CB 3.39Å; K130-E134 VanDerWaalsContact O-CG 3.29Å; K130-E134 WeakPolarHBondContact O-CG 3.47Å; K130-E134 PolarHBondContact O-N 2.87Å; K130-L263 HydrophobicContact CB-CD2 4.37Å; K130-L263 HydrophobicContact CG-CD2 3.5Å; K130-L263 VanDerWaalsContact CG-CD2 3.5Å; K130-L267 HydrophobicContact CG-CD1 4.39Å |
| 131 | R | 97.6 | Very high | 97.3 | Very high | 122 Ų | 122 | 45.5 Ų | 45.5 | 46% | 0.46 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -58.2 | -55.3 | -178.4 | 179.3 | -175.6 | 175.1 | -169.7 | -1.4 | 111.3 | E110 D127 D128 F135 | E110-R131 IonicContact OE1-CZ 2.62Å; E110-R131 IonicContact OE1-NE 3.13Å; E110-R131 PolarHBondContact OE1-NE 3.49Å; E110-R131 IonicContact OE1-NH2 3.42Å; E110-R131 PolarHBondContact OE1-NH2 3.25Å; D127-R131 WeakPolarHBondContact O-CB 3.43Å; D127-R131 PolarHBondContact O-N 3.21Å; D128-R131 PolarHBondContact O-N 2.91Å; R131-F135 WeakPolarHBondContact O-CB 3.26Å; R131-F135 PolarHBondContact O-N 3.1Å; R131-F135 VanDerWaalsContact O-N 3.09Å |
| 132 | F | 98.3 | Very high | 97.3 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -73.7 | -32.3 | -177.3 | -62.1 | -48.6 | 0 | 0 | 0 | 112 | L108 L113 L121 D128 F135 C136 F143 | L108-F132 HydrophobicContact CB-CD2 4.49Å; L108-F132 HydrophobicContact CB-CE1 4.33Å; L108-F132 HydrophobicContact CB-CE2 3.66Å; L108-F132 HydrophobicContact CB-CZ 3.56Å; L108-F132 HydrophobicContact CD1-CD2 4.26Å; L108-F132 HydrophobicContact CD1-CE2 4.01Å; L113-F132 HydrophobicContact CD1-CB 3.83Å; L113-F132 HydrophobicContact CD1-CD1 3.43Å; L113-F132 VanDerWaalsContact CD1-CD1 3.43Å; L113-F132 HydrophobicContact CD1-CE1 4.22Å; L113-F132 HydrophobicContact CD1-CG 3.84Å; L121-F132 HydrophobicContact CD1-CB 4.42Å; D128-F132 HydrophobicContact CB-CD2 3.95Å; D128-F132 HydrophobicContact CB-CE2 3.89Å; D128-F132 WeakPolarHBondContact O-CB 3.35Å; D128-F132 VanDerWaalsContact O-CD2 3.24Å; D128-F132 WeakPolarHBondContact O-CD2 3.45Å; D128-F132 PolarHBondContact O-N 2.84Å; F132-F135 PolarHBondContact O-N 3.11Å; F132-C136 VanDerWaalsContact O-CB 3.31Å; F132-C136 WeakPolarHBondContact O-CB 3.15Å; F132-C136 PolarHBondContact O-N 3.3Å; F132-C136 PolarHBondContact O-SG 2.89Å; F132-F143 HydrophobicContact CB-CE2 4.18Å |
| 133 | G | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.2 | -47.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q129 K130 F135 C136 H137 F143 | Q129-G133 WeakPolarHBondContact O-CA 3.27Å; Q129-G133 PolarHBondContact O-N 2.9Å; K130-G133 PolarHBondContact O-N 2.88Å; G133-F135 VanDerWaalsContact C-N 3.33Å; G133-F135 PolarHBondContact O-N 2.69Å; G133-C136 PolarHBondContact O-N 2.82Å; G133-H137 VanDerWaalsContact O-CB 3.29Å; G133-H137 WeakPolarHBondContact O-CB 3.35Å; G133-H137 PolarHBondContact O-N 3.2Å; G133-F143 VanDerWaalsContact CA-CE1 3.43Å; G133-F143 VanDerWaalsContact CA-CZ 3.46Å |
| 134 | E | 98 | Very high | 97.7 | Very high | 102 Ų | 102 | 44.1 Ų | 44.1 | 48% | 0.477 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.8 | -41.5 | 174.9 | -74.4 | 176.8 | -171.9 | 0 | 0 | 112 | K130 K138 S264 | K130-E134 WeakPolarHBondContact O-CB 3.39Å; K130-E134 VanDerWaalsContact O-CG 3.29Å; K130-E134 WeakPolarHBondContact O-CG 3.47Å; K130-E134 PolarHBondContact O-N 2.87Å; E134-K138 WeakPolarHBondContact O-CB 3.45Å; E134-K138 PolarHBondContact O-N 2.7Å; E134-K138 VanDerWaalsContact O-N 3.12Å; E134-S264 VanDerWaalsContact OE1-CB 3.25Å; E134-S264 WeakPolarHBondContact OE1-CB 3.08Å; E134-S264 PolarHBondContact OE1-OG 3.11Å |
| 135 | F | 98.4 | Very high | 97.9 | Very high | 25 Ų | 25 | 43.2 Ų | 43.2 | 11% | 0.11 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.6 | -48.9 | 176.2 | -176.9 | -92.3 | 0 | 0 | 0 | 111.9 | E110 L113 L114 R131 F132 G133 K138 H139 I141 | E110-F135 HydrophobicContact CB-CD1 4.42Å; E110-F135 HydrophobicContact CB-CD2 3.9Å; E110-F135 HydrophobicContact CB-CE1 4.09Å; E110-F135 HydrophobicContact CB-CE2 3.52Å; E110-F135 HydrophobicContact CB-CG 4.33Å; E110-F135 HydrophobicContact CB-CZ 3.63Å; E110-F135 HydrophobicContact CG-CB 4.43Å; E110-F135 HydrophobicContact CG-CD1 4.26Å; E110-F135 HydrophobicContact CG-CD2 3.51Å; E110-F135 HydrophobicContact CG-CE1 4.43Å; E110-F135 HydrophobicContact CG-CE2 3.71Å; E110-F135 HydrophobicContact CG-CG 3.81Å; E110-F135 HydrophobicContact CG-CZ 4.17Å; E110-F135 WeakPolarHBondContact O-CE1 3.29Å; L113-F135 HydrophobicContact CB-CD1 4.29Å; L113-F135 HydrophobicContact CB-CE1 4.1Å; L113-F135 HydrophobicContact CD1-CD1 4.12Å; L114-F135 HydrophobicContact CD1-CZ 4.24Å; L114-F135 HydrophobicContact CD2-CE1 3.97Å; L114-F135 HydrophobicContact CD2-CZ 3.79Å; L114-F135 HydrophobicContact CG-CE1 4.03Å; L114-F135 HydrophobicContact CG-CZ 3.8Å; R131-F135 WeakPolarHBondContact O-CB 3.26Å; R131-F135 PolarHBondContact O-N 3.1Å; R131-F135 VanDerWaalsContact O-N 3.09Å; F132-F135 PolarHBondContact O-N 3.11Å; G133-F135 VanDerWaalsContact C-N 3.33Å; G133-F135 PolarHBondContact O-N 2.69Å; F135-K138 PolarHBondContact O-N 3.49Å; F135-H139 AromaticContact CD1-ND1 3.98Å; F135-H139 AromaticContact CD2-CE1 3.57Å; F135-H139 AromaticContact CD2-ND1 3.73Å; F135-H139 AromaticContact CE1-ND1 3.85Å; F135-H139 AromaticContact CE2-CE1 3.21Å; F135-H139 WeakPolarHBondContact CE2-CE1 3.37Å; F135-H139 AromaticContact CE2-ND1 3.6Å; F135-H139 AromaticContact CG-ND1 3.92Å; F135-H139 AromaticContact CZ-CE1 3.59Å; F135-H139 AromaticContact CZ-ND1 3.66Å; F135-H139 PolarHBondContact O-N 3.17Å; F135-H139 PolarHBondContact O-ND1 2.99Å; F135-I141 HydrophobicContact CE1-CD1 4.3Å |
| 136 | C | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.8 | -47.9 | -179.4 | -71.1 | 0 | 0 | 0 | 0 | 111.3 | F132 G133 K138 H139 G140 I141 F143 | F132-C136 VanDerWaalsContact O-CB 3.31Å; F132-C136 WeakPolarHBondContact O-CB 3.15Å; F132-C136 PolarHBondContact O-N 3.3Å; F132-C136 PolarHBondContact O-SG 2.89Å; G133-C136 PolarHBondContact O-N 2.82Å; C136-K138 VanDerWaalsContact C-N 3.32Å; C136-K138 PolarHBondContact O-N 2.81Å; C136-H139 CarbonylContact O-C 3.48Å; C136-H139 PolarHBondContact O-N 3.31Å; C136-H139 VanDerWaalsContact O-N 3.11Å; C136-G140 PolarHBondContact O-N 2.89Å; C136-I141 CarbonylContact C-O 3.56Å; C136-I141 HydrophobicContact CB-CB 3.84Å; C136-I141 HydrophobicContact CB-CG2 4.16Å; C136-I141 PolarHBondContact O-N 2.85Å; C136-F143 HydrophobicContact CB-CB 3.88Å; C136-F143 HydrophobicContact CB-CD2 4.02Å; C136-F143 HydrophobicContact CB-CG 4.21Å |
| 137 | H | 98.3 | Very high | 98.1 | Very high | 25 Ų | 25 | 40.1 Ų | 40.1 | 12% | 0.116 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -55.5 | -46.7 | 178.1 | -171.3 | 93.5 | 0 | 0 | 0 | 111.8 | G133 H139 G140 D158 D161 F260 P262 | G133-H137 VanDerWaalsContact O-CB 3.29Å; G133-H137 WeakPolarHBondContact O-CB 3.35Å; G133-H137 PolarHBondContact O-N 3.2Å; H137-H139 VanDerWaalsContact C-N 3.3Å; H137-H139 PolarHBondContact O-N 3.32Å; H137-G140 PolarHBondContact O-N 2.92Å; H137-D158 WeakPolarHBondContact CB-OD2 3.31Å; H137-D158 IonicContact CE1-OD1 3.36Å; H137-D158 IonicContact CE1-OD2 2.7Å; H137-D158 IonicContact CG-OD2 2.67Å; H137-D158 IonicContact ND1-OD1 2.98Å; H137-D158 PolarHBondContact ND1-OD1 2.87Å; H137-D158 IonicContact ND1-OD2 2.64Å; H137-D158 PolarHBondContact ND1-OD2 2.69Å; H137-D161 IonicContact CE1-OD1 2.9Å; H137-D161 IonicContact NE2-OD1 3.43Å; H137-D161 PolarHBondContact NE2-OD1 3.01Å; H137-D161 IonicContact NE2-OD2 2.7Å; H137-F260 PolarHBondContact CE1-O 3.46Å; H137-F260 VanDerWaalsContact CE1-O 3.3Å; H137-P262 HydrophobicContact CB-CB 4.3Å |
| 138 | K | 97.9 | Very high | 98.1 | Very high | 171 Ų | 171 | 36.5 Ų | 36.5 | 74% | 0.743 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -63.7 | -32.2 | 179.2 | -177.5 | -179.7 | 174.8 | -172.3 | 0 | 113.4 | E134 F135 C136 | E134-K138 WeakPolarHBondContact O-CB 3.45Å; E134-K138 PolarHBondContact O-N 2.7Å; E134-K138 VanDerWaalsContact O-N 3.12Å; F135-K138 PolarHBondContact O-N 3.49Å; C136-K138 VanDerWaalsContact C-N 3.32Å; C136-K138 PolarHBondContact O-N 2.81Å |
| 139 | H | 97.9 | Very high | 98.2 | Very high | 88 Ų | 88 | 34.8 Ų | 34.8 | 41% | 0.407 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -99.5 | 7.4 | -177.6 | -63.2 | 88.9 | 0 | 0 | 0 | 113.2 | L114 F135 C136 H137 I141 | L114-H139 HydrophobicContact CD2-CB 4.33Å; F135-H139 AromaticContact CD1-ND1 3.98Å; F135-H139 AromaticContact CD2-CE1 3.57Å; F135-H139 AromaticContact CD2-ND1 3.73Å; F135-H139 AromaticContact CE1-ND1 3.85Å; F135-H139 AromaticContact CE2-CE1 3.21Å; F135-H139 WeakPolarHBondContact CE2-CE1 3.37Å; F135-H139 AromaticContact CE2-ND1 3.6Å; F135-H139 AromaticContact CG-ND1 3.92Å; F135-H139 AromaticContact CZ-CE1 3.59Å; F135-H139 AromaticContact CZ-ND1 3.66Å; F135-H139 PolarHBondContact O-N 3.17Å; F135-H139 PolarHBondContact O-ND1 2.99Å; C136-H139 CarbonylContact O-C 3.48Å; C136-H139 PolarHBondContact O-N 3.31Å; C136-H139 VanDerWaalsContact O-N 3.11Å; H137-H139 VanDerWaalsContact C-N 3.3Å; H137-H139 PolarHBondContact O-N 3.32Å; H139-I141 HydrophobicContact CB-CD1 4.17Å; H139-I141 HydrophobicContact CB-CG1 4.29Å; H139-I141 PolarHBondContact O-N 3.47Å |
| 140 | G | 97.1 | Very high | 98.1 | Very high | 41 Ų | 41 | 34.9 Ų | 34.9 | 42% | 0.423 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.9 | 10.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115 | C136 H137 K142 | C136-G140 PolarHBondContact O-N 2.89Å; H137-G140 PolarHBondContact O-N 2.92Å; G140-K142 PolarHBondContact O-NZ 3.47Å |
| 141 | I | 98.6 | Very high | 98.1 | Very high | 11 Ų | 11 | 31.6 Ų | 31.6 | 6% | 0.056 | 15% | 0.15 | C | C | . | . | trans | -75.5 | 131.6 | 176.6 | -57.7 | 166.5 | 0 | 0 | 0 | 108.4 | L113 V119 F135 C136 H139 | L113-I141 HydrophobicContact CB-CD1 4.44Å; L113-I141 WeakPolarHBondContact O-CD1 3.34Å; V119-I141 HydrophobicContact CB-CG2 4.33Å; V119-I141 HydrophobicContact CG2-CG2 3.65Å; F135-I141 HydrophobicContact CE1-CD1 4.3Å; C136-I141 CarbonylContact C-O 3.56Å; C136-I141 HydrophobicContact CB-CB 3.84Å; C136-I141 HydrophobicContact CB-CG2 4.16Å; C136-I141 PolarHBondContact O-N 2.85Å; H139-I141 HydrophobicContact CB-CD1 4.17Å; H139-I141 HydrophobicContact CB-CG1 4.29Å; H139-I141 PolarHBondContact O-N 3.47Å | ||
| 142 | K | 98.7 | Very high | 98.1 | Very high | 37 Ų | 37 | 25.8 Ų | 25.8 | 16% | 0.161 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 128.2 | -179 | -46.8 | -51 | 174.4 | -159.6 | 0 | 109 | Q117 V118 V119 G140 F159 F163 A366 | Q117-K142 PolarHBondContact O-N 3.31Å; V118-K142 CarbonylContact C-O 3.59Å; V118-K142 WeakPolarHBondContact CA-O 3.36Å; V118-K142 HydrophobicContact CG1-CB 4.33Å; V118-K142 HydrophobicContact CG2-CB 4.2Å; V118-K142 HydrophobicContact CG2-CG 4.48Å; V119-K142 PolarHBondContact N-O 3.35Å; G140-K142 PolarHBondContact O-NZ 3.47Å; K142-F159 HydrophobicContact CB-CD1 3.9Å; K142-F159 HydrophobicContact CB-CE1 4.41Å; K142-F159 HydrophobicContact CD-CB 3.9Å; K142-F159 HydrophobicContact CD-CG 4.37Å; K142-F159 WeakPolarHBondContact CD-O 3.38Å; K142-F159 PolarHBondContact NZ-O 3.33Å; K142-F163 HydrophobicContact CD-CD2 4.46Å; K142-A366 HydrophobicContact CB-CB 3.84Å; K142-A366 HydrophobicContact CG-CB 4.04Å |
| 143 | F | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 130.5 | -168.9 | -175.5 | -106.2 | 0 | 0 | 0 | 111.1 | V119 L121 Q129 F132 G133 C136 V145 F156 D158 L263 | V119-F143 HydrophobicContact CB-CD2 4.37Å; V119-F143 HydrophobicContact CG1-CD2 4.23Å; V119-F143 HydrophobicContact CG1-CE2 4.41Å; V119-F143 WeakPolarHBondContact O-CA 3.44Å; L121-F143 HydrophobicContact CD1-CE2 3.43Å; L121-F143 VanDerWaalsContact CD1-CE2 3.43Å; L121-F143 HydrophobicContact CD1-CZ 3.36Å; L121-F143 HydrophobicContact CG-CE2 4.07Å; L121-F143 HydrophobicContact CG-CZ 4.35Å; Q129-F143 WeakPolarHBondContact O-CZ 3.37Å; F132-F143 HydrophobicContact CB-CE2 4.18Å; G133-F143 VanDerWaalsContact CA-CE1 3.43Å; G133-F143 VanDerWaalsContact CA-CZ 3.46Å; C136-F143 HydrophobicContact CB-CB 3.88Å; C136-F143 HydrophobicContact CB-CD2 4.02Å; C136-F143 HydrophobicContact CB-CG 4.21Å; F143-V145 HydrophobicContact CD1-CG2 4.22Å; F143-V145 HydrophobicContact CE1-CG2 3.4Å; F143-V145 HydrophobicContact CZ-CG2 3.7Å; F143-F156 HydrophobicContact CD1-CE1 4.32Å; F143-D158 HydrophobicContact CB-CB 4.39Å; F143-D158 PolarHBondContact N-O 3.25Å; F143-D158 PolarHBondContact O-N 3.27Å; F143-L263 HydrophobicContact CE1-CD1 3.89Å |
| 144 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 133.3 | -179.2 | -59.8 | 170.7 | 0 | 0 | 0 | 108.4 | V118 V119 V120 L121 L155 F156 F159 E362 V363 | V118-I144 HydrophobicContact CG1-CD1 4.17Å; V119-I144 PolarHBondContact O-N 2.96Å; V120-I144 CarbonylContact C-O 3.48Å; V120-I144 WeakPolarHBondContact CA-O 3.48Å; V120-I144 HydrophobicContact CG1-CB 4.36Å; V120-I144 HydrophobicContact CG1-CG2 4.24Å; V120-I144 HydrophobicContact CG2-CB 4.3Å; V120-I144 HydrophobicContact CG2-CD1 4.42Å; L121-I144 PolarHBondContact N-O 3.22Å; I144-L155 HydrophobicContact CG2-CD1 3.68Å; I144-F156 WeakPolarHBondContact CA-O 3.29Å; I144-F159 HydrophobicContact CD1-CE1 4.15Å; I144-F159 HydrophobicContact CD1-CZ 4.41Å; I144-F159 HydrophobicContact CG1-CE1 3.89Å; I144-E362 HydrophobicContact CD1-CB 3.85Å; I144-V363 HydrophobicContact CD1-CB 4.5Å; I144-V363 HydrophobicContact CD1-CG2 3.72Å |
| 145 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 132.4 | 170.1 | 178.3 | 0 | 0 | 0 | 0 | 108 | L121 Q129 F143 L155 F156 L263 | L121-V145 HydrophobicContact CB-CG2 4.35Å; L121-V145 HydrophobicContact CD1-CG2 4.49Å; L121-V145 WeakPolarHBondContact O-CA 3.49Å; Q129-V145 HydrophobicContact CG-CG1 4.16Å; Q129-V145 HydrophobicContact CG-CG2 4.19Å; F143-V145 HydrophobicContact CD1-CG2 4.22Å; F143-V145 HydrophobicContact CE1-CG2 3.4Å; F143-V145 HydrophobicContact CZ-CG2 3.7Å; V145-L155 CarbonylContact O-C 3.58Å; V145-L155 WeakPolarHBondContact O-CA 3.24Å; V145-F156 HydrophobicContact CB-CB 4.24Å; V145-F156 HydrophobicContact CG2-CD1 4.43Å; V145-F156 PolarHBondContact N-O 3.21Å; V145-F156 PolarHBondContact O-N 3.1Å; V145-L263 HydrophobicContact CG2-CD1 3.99Å |
| 146 | V | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 129.3 | 176.8 | 62.2 | 0 | 0 | 0 | 0 | 110.3 | L40 I44 V120 L121 T122 Q154 L155 F355 A359 | L40-V146 HydrophobicContact CD1-CG2 4.33Å; L40-V146 HydrophobicContact CD2-CB 4.49Å; L40-V146 HydrophobicContact CD2-CG1 4.1Å; L40-V146 HydrophobicContact CD2-CG2 4.11Å; L40-V146 WeakPolarHBondContact CD2-O 3.26Å; L40-V146 HydrophobicContact CG-CG1 4.36Å; I44-V146 HydrophobicContact CD1-CG1 3.42Å; I44-V146 VanDerWaalsContact CD1-CG1 3.42Å; V120-V146 HydrophobicContact CG1-CG1 4.17Å; L121-V146 PolarHBondContact O-N 2.93Å; T122-V146 WeakPolarHBondContact CA-O 3.47Å; T122-V146 HydrophobicContact CG2-CG1 3.73Å; V146-Q154 WeakPolarHBondContact CA-O 3.29Å; V146-Q154 WeakPolarHBondContact CG2-O 3.44Å; V146-L155 HydrophobicContact CB-CD1 3.8Å; V146-L155 HydrophobicContact CG2-CB 4.31Å; V146-L155 HydrophobicContact CG2-CD1 4.01Å; V146-F355 HydrophobicContact CG2-CB 3.96Å; V146-F355 HydrophobicContact CG2-CD1 3.73Å; V146-F355 HydrophobicContact CG2-CG 4.24Å; V146-A359 HydrophobicContact CB-CB 4.2Å; V146-A359 HydrophobicContact CG1-CB 3.9Å; V146-A359 HydrophobicContact CG2-CB 4.19Å |
| 147 | D | 98.2 | Very high | 97.9 | Very high | 3 Ų | 3 | 19.9 Ų | 19.9 | 2% | 0.016 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 142.1 | -178.9 | -62.2 | -58.9 | 0 | 0 | 0 | 110.7 | D123 Q129 G153 Q154 F291 | D123-D147 WeakPolarHBondContact CA-OD1 3.33Å; D123-D147 PolarHBondContact N-OD1 3.37Å; Q129-D147 PolarHBondContact NE2-OD2 3.27Å; D147-G153 CarbonylContact O-C 3.51Å; D147-G153 WeakPolarHBondContact O-CA 3.5Å; D147-Q154 HydrophobicContact CB-CG 3.97Å; D147-Q154 PolarHBondContact N-O 2.79Å; D147-Q154 PolarHBondContact O-N 3.03Å; D147-Q154 PolarHBondContact OD2-NE2 2.87Å; D147-F291 HydrophobicContact CB-CE1 4.25Å |
| 148 | T | 98.3 | Very high | 97.9 | Very high | 5 Ų | 5 | 18.7 Ų | 18.7 | 3% | 0.031 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 139 | 169.5 | 53.7 | 0 | 0 | 0 | 0 | 109.5 | L40 M351 N352 F355 | L40-T148 HydrophobicContact CD1-CG2 4.33Å; L40-T148 HydrophobicContact CD2-CG2 4.13Å; T148-M351 HydrophobicContact CG2-CB 4.26Å; T148-N352 WeakPolarHBondContact CB-OD1 3.33Å; T148-N352 PolarHBondContact OG1-OD1 3.38Å; T148-F355 HydrophobicContact CG2-CB 3.99Å; T148-F355 HydrophobicContact CG2-CD2 3.79Å; T148-F355 HydrophobicContact CG2-CG 4.03Å |
| 149 | K | 97.8 | Very high | 97.9 | Very high | 28 Ų | 28 | 10.6 Ų | 10.6 | 12% | 0.122 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 100.4 | 178.2 | -62.7 | -66.1 | 160.1 | -128 | 0 | 108.3 | D123 L151 C152 F291 L294 F340 A344 | D123-K149 IonicContact OD1-NZ 2.83Å; D123-K149 PolarHBondContact OD1-NZ 2.95Å; K149-L151 PolarHBondContact O-N 3.12Å; K149-L151 VanDerWaalsContact O-N 3.12Å; K149-C152 PolarHBondContact N-O 3.49Å; K149-C152 PolarHBondContact O-N 3.35Å; K149-F291 HydrophobicContact CB-CE1 4.44Å; K149-F291 HydrophobicContact CG-CE1 3.87Å; K149-F291 HydrophobicContact CG-CZ 4.47Å; K149-L294 HydrophobicContact CD-CD2 3.98Å; K149-L294 HydrophobicContact CG-CD2 3.84Å; K149-F340 HydrophobicContact CB-CD2 4.49Å; K149-F340 HydrophobicContact CB-CE2 3.73Å; K149-F340 HydrophobicContact CB-CZ 4.28Å; K149-F340 HydrophobicContact CG-CE2 4.31Å; K149-F340 HydrophobicContact CG-CZ 4.42Å; K149-A344 WeakPolarHBondContact CD-O 3.46Å |
| 150 | G | 96.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 6.5 Ų | 6.5 | 1% | 0.01 | 4% | 0.042 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | -116.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | T343 G346 L348 M351 | G150-T343 VanDerWaalsContact CA-O 3.29Å; G150-T343 WeakPolarHBondContact CA-O 3.43Å; G150-T343 PolarHBondContact N-O 2.82Å; G150-G346 PolarHBondContact N-O 2.87Å; G150-L348 WeakPolarHBondContact O-CD1 3.25Å; G150-M351 WeakPolarHBondContact O-CG 3.21Å |
| 151 | L | 97.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 5% | 0.05 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 8.8 | -178.5 | -69.7 | 168.1 | 0 | 0 | 0 | 114 | K149 L348 D381 A382 L383 C385 L386 V411 F412 | K149-L151 PolarHBondContact O-N 3.12Å; K149-L151 VanDerWaalsContact O-N 3.12Å; L151-L348 HydrophobicContact CD2-CD1 3.5Å; L151-L348 HydrophobicContact CG-CD1 3.99Å; L151-D381 CarbonylContact O-C 3.55Å; L151-D381 VanDerWaalsContact O-CA 3.27Å; L151-D381 WeakPolarHBondContact O-CA 3.4Å; L151-A382 HydrophobicContact CD2-CB 4.18Å; L151-A382 PolarHBondContact O-N 3.46Å; L151-L383 HydrophobicContact CB-CD2 3.9Å; L151-C385 HydrophobicContact CD1-CB 4.18Å; L151-C385 HydrophobicContact CD2-CB 3.84Å; L151-L386 HydrophobicContact CD1-CD1 4.3Å; L151-L386 HydrophobicContact CD1-CD2 3.78Å; L151-L386 HydrophobicContact CD1-CG 3.66Å; L151-V411 HydrophobicContact CD1-CG1 3.97Å; L151-V411 HydrophobicContact CG-CG1 4.03Å; L151-F412 HydrophobicContact CD1-CE1 4.44Å; L151-F412 HydrophobicContact CD2-CZ 4.07Å |
| 152 | C | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 151.2 | 177.9 | -60.3 | 0 | 0 | 0 | 0 | 110.9 | K149 L287 F291 F340 M351 F380 | K149-C152 PolarHBondContact N-O 3.49Å; K149-C152 PolarHBondContact O-N 3.35Å; C152-L287 HydrophobicContact CB-CD2 4.32Å; C152-F291 HydrophobicContact CB-CE2 4.29Å; C152-F291 HydrophobicContact CB-CZ 4.34Å; C152-F340 HydrophobicContact CB-CD2 3.64Å; C152-F340 HydrophobicContact CB-CE2 3.87Å; C152-M351 VanDerWaalsContact C-CE 3.47Å; C152-F380 CarbonylContact C-O 3.51Å; C152-F380 WeakPolarHBondContact CA-O 3.42Å |
| 153 | G | 97.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 162.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D147 F355 Y379 F380 | D147-G153 CarbonylContact O-C 3.51Å; D147-G153 WeakPolarHBondContact O-CA 3.5Å; G153-F355 VanDerWaalsContact CA-CZ 3.44Å; G153-F355 WeakPolarHBondContact O-CZ 3.36Å; G153-Y379 WeakPolarHBondContact O-CA 3.29Å; G153-F380 PolarHBondContact N-O 3.11Å; G153-F380 PolarHBondContact O-N 3.47Å; G153-F380 VanDerWaalsContact O-N 3.13Å |
| 154 | Q | 96.6 | Very high | 97.4 | Very high | 5 Ų | 5 | 20 Ų | 20 | 2% | 0.023 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 148.5 | 175.7 | 66.5 | 174.7 | 8.9 | 0 | 0 | 111 | V146 D147 F291 F378 Y379 | V146-Q154 WeakPolarHBondContact CA-O 3.29Å; V146-Q154 WeakPolarHBondContact CG2-O 3.44Å; D147-Q154 HydrophobicContact CB-CG 3.97Å; D147-Q154 PolarHBondContact N-O 2.79Å; D147-Q154 PolarHBondContact O-N 3.03Å; D147-Q154 PolarHBondContact OD2-NE2 2.87Å; Q154-F291 HydrophobicContact CB-CD2 4.29Å; Q154-F291 HydrophobicContact CB-CE1 4.39Å; Q154-F291 HydrophobicContact CB-CE2 4.15Å; Q154-F291 HydrophobicContact CB-CG 4.48Å; Q154-F291 HydrophobicContact CB-CZ 4.21Å; Q154-F291 VanDerWaalsContact CD-CD1 3.42Å; Q154-F291 HydrophobicContact CG-CD1 3.85Å; Q154-F291 HydrophobicContact CG-CD2 4.48Å; Q154-F291 HydrophobicContact CG-CE1 3.81Å; Q154-F291 HydrophobicContact CG-CE2 4.44Å; Q154-F291 HydrophobicContact CG-CG 4.21Å; Q154-F291 HydrophobicContact CG-CZ 4.12Å; Q154-F291 VanDerWaalsContact OE1-CB 3.26Å; Q154-F291 VanDerWaalsContact OE1-CG 3.25Å; Q154-F378 CarbonylContact C-O 3.59Å; Q154-F378 VanDerWaalsContact CA-O 3.29Å; Q154-F378 WeakPolarHBondContact CA-O 3.24Å; Q154-Y379 HydrophobicContact CB-CD1 3.7Å; Q154-Y379 HydrophobicContact CB-CE1 3.45Å; Q154-Y379 VanDerWaalsContact CB-CE1 3.45Å |
| 155 | L | 97.5 | Very high | 97.2 | Very high | 3 Ų | 3 | 20 Ų | 20 | 2% | 0.016 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 133.1 | 172.3 | 172.7 | 64.7 | 0 | 0 | 0 | 109.1 | I144 V145 V146 F355 L358 A359 E362 L374 W377 F378 | I144-L155 HydrophobicContact CG2-CD1 3.68Å; V145-L155 CarbonylContact O-C 3.58Å; V145-L155 WeakPolarHBondContact O-CA 3.24Å; V146-L155 HydrophobicContact CB-CD1 3.8Å; V146-L155 HydrophobicContact CG2-CB 4.31Å; V146-L155 HydrophobicContact CG2-CD1 4.01Å; L155-F355 HydrophobicContact CB-CD1 4.15Å; L155-F355 HydrophobicContact CB-CE1 4.02Å; L155-L358 HydrophobicContact CD2-CB 4.06Å; L155-A359 HydrophobicContact CD1-CB 4Å; L155-E362 HydrophobicContact CD2-CG 4.17Å; L155-L374 HydrophobicContact CB-CD2 4.28Å; L155-L374 HydrophobicContact CD2-CD2 3.86Å; L155-L374 HydrophobicContact CG-CD2 3.73Å; L155-W377 CarbonylContact O-C 3.52Å; L155-W377 WeakPolarHBondContact O-CA 3.42Å; L155-F378 HydrophobicContact CB-CB 4.26Å; L155-F378 HydrophobicContact CB-CD1 4.24Å; L155-F378 PolarHBondContact N-O 2.78Å; L155-F378 PolarHBondContact O-N 3.27Å |
| 156 | F | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 139.7 | 177.4 | 174 | -103.2 | 0 | 0 | 0 | 111.2 | F143 I144 V145 D158 L263 A266 Q376 W377 | F143-F156 HydrophobicContact CD1-CE1 4.32Å; I144-F156 WeakPolarHBondContact CA-O 3.29Å; V145-F156 HydrophobicContact CB-CB 4.24Å; V145-F156 HydrophobicContact CG2-CD1 4.43Å; V145-F156 PolarHBondContact N-O 3.21Å; V145-F156 PolarHBondContact O-N 3.1Å; F156-D158 HydrophobicContact CE1-CB 3.68Å; F156-D158 HydrophobicContact CZ-CB 3.87Å; F156-L263 HydrophobicContact CD1-CD1 3.96Å; F156-L263 HydrophobicContact CD1-CG 4.48Å; F156-L263 HydrophobicContact CE1-CB 3.8Å; F156-L263 HydrophobicContact CE1-CD1 3.98Å; F156-L263 HydrophobicContact CE1-CG 4.13Å; F156-L263 HydrophobicContact CZ-CB 4.06Å; F156-L263 HydrophobicContact CZ-CG 4.5Å; F156-A266 HydrophobicContact CE2-CB 3.56Å; F156-A266 HydrophobicContact CZ-CB 3.96Å; F156-Q376 VanDerWaalsContact CA-O 3.27Å; F156-Q376 WeakPolarHBondContact CA-O 3.4Å; F156-Q376 HydrophobicContact CD2-CB 4.01Å; F156-Q376 HydrophobicContact CE2-CB 3.72Å; F156-W377 HydrophobicContact CB-CD2 4.03Å; F156-W377 HydrophobicContact CB-CE3 3.67Å; F156-W377 HydrophobicContact CB-CH2 3.73Å; F156-W377 HydrophobicContact CB-CZ2 4.09Å; F156-W377 HydrophobicContact CB-CZ3 3.53Å; F156-W377 AromaticContact CD2-CD2 3.63Å; F156-W377 HydrophobicContact CD2-CD2 3.63Å; F156-W377 AromaticContact CD2-CE2 3.32Å; F156-W377 HydrophobicContact CD2-CE3 4.18Å; F156-W377 HydrophobicContact CD2-CG 4.04Å; F156-W377 HydrophobicContact CD2-CH2 4.15Å; F156-W377 AromaticContact CD2-CZ2 3.6Å; F156-W377 HydrophobicContact CD2-CZ2 3.6Å; F156-W377 HydrophobicContact CD2-CZ3 4.43Å; F156-W377 AromaticContact CD2-NE1 3.62Å; F156-W377 AromaticContact CE2-CE2 3.93Å; F156-W377 HydrophobicContact CE2-CZ2 4.18Å; F156-W377 AromaticContact CE2-NE1 3.84Å; F156-W377 HydrophobicContact CG-CD2 4.21Å; F156-W377 AromaticContact CG-CE2 3.99Å; F156-W377 HydrophobicContact CG-CE3 4.31Å; F156-W377 AromaticContact CG-CH2 3.96Å; F156-W377 HydrophobicContact CG-CH2 3.96Å; F156-W377 AromaticContact CG-CZ2 3.85Å; F156-W377 HydrophobicContact CG-CZ2 3.85Å; F156-W377 HydrophobicContact CG-CZ3 4.21Å |
| 157 | C | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 135.7 | 175.1 | -67.5 | 0 | 0 | 0 | 0 | 112.1 | F159 F260 L374 Q376 | C157-F159 HydrophobicContact CB-CD1 4.48Å; C157-F159 HydrophobicContact CB-CE1 3.92Å; C157-F159 HydrophobicContact CB-CZ 4.15Å; C157-F260 HydrophobicContact CB-CE1 4.5Å; C157-F260 WeakPolarHBondContact O-CD1 3.36Å; C157-L374 WeakPolarHBondContact CB-O 3.42Å; C157-Q376 PolarHBondContact N-O 3.46Å; C157-Q376 VanDerWaalsContact N-O 3.12Å; C157-Q376 PolarHBondContact O-NE2 3.02Å |
| 158 | D | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 103.1 | 171 | 177.5 | 8.5 | 0 | 0 | 0 | 110.3 | H137 F143 F156 G160 F260 P262 | H137-D158 WeakPolarHBondContact CB-OD2 3.31Å; H137-D158 IonicContact CE1-OD1 3.36Å; H137-D158 IonicContact CE1-OD2 2.7Å; H137-D158 IonicContact CG-OD2 2.67Å; H137-D158 IonicContact ND1-OD1 2.98Å; H137-D158 PolarHBondContact ND1-OD1 2.87Å; H137-D158 IonicContact ND1-OD2 2.64Å; H137-D158 PolarHBondContact ND1-OD2 2.69Å; F143-D158 HydrophobicContact CB-CB 4.39Å; F143-D158 PolarHBondContact N-O 3.25Å; F143-D158 PolarHBondContact O-N 3.27Å; F156-D158 HydrophobicContact CE1-CB 3.68Å; F156-D158 HydrophobicContact CZ-CB 3.87Å; D158-G160 PolarHBondContact OD1-N 3.11Å; D158-F260 WeakPolarHBondContact OD1-CB 3.37Å; D158-P262 WeakPolarHBondContact OD2-CA 3.36Å |
| 159 | F | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -100.8 | 13.8 | -178.3 | -62.2 | -7.4 | 0 | 0 | 0 | 113.1 | K142 I144 C157 F163 F260 E362 K365 A366 P373 | K142-F159 HydrophobicContact CB-CD1 3.9Å; K142-F159 HydrophobicContact CB-CE1 4.41Å; K142-F159 HydrophobicContact CD-CB 3.9Å; K142-F159 HydrophobicContact CD-CG 4.37Å; K142-F159 WeakPolarHBondContact CD-O 3.38Å; K142-F159 PolarHBondContact NZ-O 3.33Å; I144-F159 HydrophobicContact CD1-CE1 4.15Å; I144-F159 HydrophobicContact CD1-CZ 4.41Å; I144-F159 HydrophobicContact CG1-CE1 3.89Å; C157-F159 HydrophobicContact CB-CD1 4.48Å; C157-F159 HydrophobicContact CB-CE1 3.92Å; C157-F159 HydrophobicContact CB-CZ 4.15Å; F159-F163 HydrophobicContact CB-CB 3.98Å; F159-F163 HydrophobicContact CB-CD2 3.71Å; F159-F163 HydrophobicContact CB-CE2 4.35Å; F159-F163 HydrophobicContact CB-CG 3.8Å; F159-F163 HydrophobicContact CD2-CD1 4.07Å; F159-F163 HydrophobicContact CD2-CD2 4.08Å; F159-F163 AromaticContact CD2-CE1 3.97Å; F159-F163 HydrophobicContact CD2-CE1 3.97Å; F159-F163 AromaticContact CD2-CE2 3.98Å; F159-F163 HydrophobicContact CD2-CE2 3.98Å; F159-F163 HydrophobicContact CD2-CG 4.12Å; F159-F163 AromaticContact CD2-CZ 3.93Å; F159-F163 HydrophobicContact CD2-CZ 3.93Å; F159-F163 HydrophobicContact CE2-CZ 4.45Å; F159-F163 HydrophobicContact CG-CD2 4.3Å; F159-F163 HydrophobicContact CG-CE2 4.47Å; F159-F163 HydrophobicContact CG-CG 4.48Å; F159-F260 HydrophobicContact CB-CD2 3.78Å; F159-F260 HydrophobicContact CB-CE2 3.78Å; F159-F260 HydrophobicContact CB-CG 4.22Å; F159-F260 HydrophobicContact CB-CZ 4.19Å; F159-F260 HydrophobicContact CD2-CE2 4.35Å; F159-F260 HydrophobicContact CD2-CZ 4.09Å; F159-F260 HydrophobicContact CG-CE2 4.36Å; F159-F260 HydrophobicContact CG-CZ 4.29Å; F159-F260 VanDerWaalsContact N-CG 3.35Å; F159-E362 HydrophobicContact CZ-CB 4.38Å; F159-K365 HydrophobicContact CE2-CB 4.39Å; F159-A366 HydrophobicContact CD1-CB 4.29Å; F159-A366 HydrophobicContact CD2-CB 4.41Å; F159-A366 HydrophobicContact CE1-CB 3.85Å; F159-A366 HydrophobicContact CE2-CB 3.92Å; F159-A366 HydrophobicContact CZ-CB 3.67Å; F159-P373 HydrophobicContact CD2-CB 3.82Å; F159-P373 HydrophobicContact CD2-CG 3.71Å; F159-P373 HydrophobicContact CE2-CB 3.43Å; F159-P373 VanDerWaalsContact CE2-CB 3.43Å; F159-P373 HydrophobicContact CE2-CG 3.58Å; F159-P373 HydrophobicContact CZ-CB 4.32Å | ||
| 160 | G | 96.8 | Very high | 95.4 | Very high | 3 Ų | 3 | 32.5 Ų | 32.5 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | trans | 88.9 | -178.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | D158 Q162 F260 | D158-G160 PolarHBondContact OD1-N 3.11Å; G160-Q162 VanDerWaalsContact C-N 3.28Å; G160-Q162 PolarHBondContact O-N 3.28Å; G160-F260 WeakPolarHBondContact O-CB 3.47Å; G160-F260 PolarHBondContact O-N 3.45Å | ||
| 161 | D | 94.3 | Very high | 94.9 | Very high | 109 Ų | 109 | 36.4 Ų | 36.4 | 58% | 0.583 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -68.1 | -22.7 | -174.1 | -74.9 | -40.1 | 0 | 0 | 0 | 114.2 | H137 N259 | H137-D161 IonicContact CE1-OD1 2.9Å; H137-D161 IonicContact NE2-OD1 3.43Å; H137-D161 PolarHBondContact NE2-OD1 3.01Å; H137-D161 IonicContact NE2-OD2 2.7Å; D161-N259 WeakPolarHBondContact O-CB 3.32Å; D161-N259 VanDerWaalsContact O-CG 3.29Å; D161-N259 PolarHBondContact O-OD1 3.1Å |
| 162 | Q | 94.6 | Very high | 94.2 | Very high | 159 Ų | 159 | 41.8 Ų | 41.8 | 74% | 0.743 | 21% | 0.206 | S | C | * | . | trans | -144.7 | 102 | 179.4 | -67.2 | -174 | -14.5 | 0 | 0 | 109.9 | G160 T257 | G160-Q162 VanDerWaalsContact C-N 3.28Å; G160-Q162 PolarHBondContact O-N 3.28Å; Q162-T257 HydrophobicContact CB-CG2 4.3Å | ||
| 163 | F | 97.3 | Very high | 93.5 | Very high | 10 Ų | 10 | 44.7 Ų | 44.7 | 4% | 0.044 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 120.7 | 175.8 | -177.2 | -99.1 | 0 | 0 | 0 | 110.5 | K142 F159 V165 T257 L258 F260 K365 P373 | K142-F163 HydrophobicContact CD-CD2 4.46Å; F159-F163 HydrophobicContact CB-CB 3.98Å; F159-F163 HydrophobicContact CB-CD2 3.71Å; F159-F163 HydrophobicContact CB-CE2 4.35Å; F159-F163 HydrophobicContact CB-CG 3.8Å; F159-F163 HydrophobicContact CD2-CD1 4.07Å; F159-F163 HydrophobicContact CD2-CD2 4.08Å; F159-F163 AromaticContact CD2-CE1 3.97Å; F159-F163 HydrophobicContact CD2-CE1 3.97Å; F159-F163 AromaticContact CD2-CE2 3.98Å; F159-F163 HydrophobicContact CD2-CE2 3.98Å; F159-F163 HydrophobicContact CD2-CG 4.12Å; F159-F163 AromaticContact CD2-CZ 3.93Å; F159-F163 HydrophobicContact CD2-CZ 3.93Å; F159-F163 HydrophobicContact CE2-CZ 4.45Å; F159-F163 HydrophobicContact CG-CD2 4.3Å; F159-F163 HydrophobicContact CG-CE2 4.47Å; F159-F163 HydrophobicContact CG-CG 4.48Å; F163-V165 HydrophobicContact CD1-CG2 3.92Å; F163-V165 HydrophobicContact CE1-CG2 3.83Å; F163-T257 CarbonylContact O-C 3.52Å; F163-T257 WeakPolarHBondContact O-CA 3.44Å; F163-L258 PolarHBondContact N-O 3.32Å; F163-L258 PolarHBondContact O-N 3.35Å; F163-F260 HydrophobicContact CB-CD2 4.29Å; F163-F260 HydrophobicContact CB-CE2 3.96Å; F163-F260 HydrophobicContact CD1-CE2 4.43Å; F163-F260 HydrophobicContact CG-CE2 4.41Å; F163-K365 WeakPolarHBondContact CZ-O 3.32Å; F163-P373 HydrophobicContact CD1-CG 3.94Å; F163-P373 HydrophobicContact CE1-CG 3.54Å; F163-P373 HydrophobicContact CZ-CG 4.42Å |
| 164 | E | 96.1 | Very high | 92.9 | Very high | 95 Ų | 95 | 46.1 Ų | 46.1 | 44% | 0.444 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 118.9 | -180 | -169.8 | -178 | -155 | 0 | 0 | 111.5 | L166 P255 | E164-L166 HydrophobicContact CG-CD2 3.9Å; E164-P255 HydrophobicContact CG-CB 4.16Å |
| 165 | V | 96 | Very high | 92.4 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 113.1 | 169.5 | 179.9 | 0 | 0 | 0 | 0 | 108.1 | F163 D167 R168 P255 L256 L258 G369 F371 P373 | F163-V165 HydrophobicContact CD1-CG2 3.92Å; F163-V165 HydrophobicContact CE1-CG2 3.83Å; V165-D167 WeakPolarHBondContact CG1-O 3.47Å; V165-R168 HydrophobicContact CG1-CG 4.05Å; V165-P255 CarbonylContact O-C 3.57Å; V165-P255 WeakPolarHBondContact O-CA 3.47Å; V165-L256 HydrophobicContact CB-CB 4.29Å; V165-L256 WeakPolarHBondContact CB-O 3.49Å; V165-L256 PolarHBondContact N-O 3.38Å; V165-L256 PolarHBondContact O-N 2.94Å; V165-L258 HydrophobicContact CG2-CD1 3.82Å; V165-L258 HydrophobicContact CG2-CG 4.25Å; V165-G369 CarbonylContact C-O 3.54Å; V165-G369 WeakPolarHBondContact CA-O 3.44Å; V165-F371 WeakPolarHBondContact CG1-O 3.45Å; V165-P373 HydrophobicContact CG2-CG 4.4Å |
| 166 | L | 93 | Very high | 91.8 | Very high | 69 Ų | 69 | 50.1 Ų | 50.1 | 36% | 0.361 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -81.3 | -28.1 | -178.5 | -61.1 | -176.8 | 0 | 0 | 0 | 112.8 | E164 P255 G369 | E164-L166 HydrophobicContact CG-CD2 3.9Å; L166-P255 HydrophobicContact CD2-CB 4.45Å; L166-G369 PolarHBondContact N-O 3.45Å |
| 167 | D | 92.1 | Very high | 91.2 | Very high | 22 Ų | 22 | 52 Ų | 52 | 12% | 0.118 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -146.5 | 124.2 | 177.4 | -179 | -16.3 | 0 | 0 | 0 | 108.3 | V165 D169 G170 K370 F371 | V165-D167 WeakPolarHBondContact CG1-O 3.47Å; D167-D169 PolarHBondContact OD1-N 3Å; D167-G170 WeakPolarHBondContact OD1-CA 3.32Å; D167-G170 PolarHBondContact OD1-N 3Å; D167-G170 WeakPolarHBondContact OD2-CA 3.47Å; D167-K370 HydrophobicContact CB-CD 3.95Å; D167-K370 VanDerWaalsContact OD2-CE 3.27Å; D167-K370 WeakPolarHBondContact OD2-CE 3.38Å; D167-K370 IonicContact OD2-NZ 3.48Å; D167-K370 PolarHBondContact OD2-NZ 3.33Å; D167-F371 WeakPolarHBondContact O-CA 3.12Å; D167-F371 PolarHBondContact O-N 3.38Å |
| 168 | R | 91.7 | Very high | 90.7 | Very high | 134 Ų | 134 | 52.2 Ų | 52.2 | 51% | 0.506 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -85.6 | -30.3 | -167.4 | -63.9 | 174.8 | 62.5 | -172.4 | -0.4 | 113.2 | V165 L256 T372 A891 | V165-R168 HydrophobicContact CG1-CG 4.05Å; R168-L256 HydrophobicContact CG-CB 4.32Å; R168-L256 HydrophobicContact CG-CD2 4.46Å; R168-T372 PolarHBondContact O-N 3.09Å; R168-T372 VanDerWaalsContact O-N 3.15Å; R168-T372 PolarHBondContact O-OG1 2.64Å; R168-A891 VanDerWaalsContact O-O 3.13Å |
| 169 | D | 89.2 | Confident | 90 | Very high | 45 Ų | 45 | 56.5 Ų | 56.5 | 24% | 0.241 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -128.9 | -19.1 | -166.4 | 56 | 28.9 | 0 | 0 | 0 | 113 | D167 E171 K253 A891 V892 | D167-D169 PolarHBondContact OD1-N 3Å; D169-E171 HydrophobicContact CB-CG 4.2Å; D169-E171 PolarHBondContact O-N 2.68Å; D169-E171 WeakPolarHBondContact OD1-CB 3.3Å; D169-E171 PolarHBondContact OD1-N 3.16Å; D169-K253 IonicContact OD1-NZ 3.96Å; D169-K253 PolarHBondContact OD1-NZ 3.36Å; D169-K253 IonicContact OD2-NZ 2.84Å; D169-K253 PolarHBondContact OD2-NZ 3.01Å; D169-A891 VanDerWaalsContact O-CB 3.3Å; D169-A891 WeakPolarHBondContact O-CB 3.24Å; D169-V892 HydrophobicContact CB-CG1 3.73Å |
| 170 | G | 88 | Confident | 89.5 | Confident | 27 Ų | 27 | 63 Ų | 63 | 28% | 0.278 | 32% | 0.322 | S | S | . | . | trans | 62.6 | 14.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | D167 | D167-G170 WeakPolarHBondContact OD1-CA 3.32Å; D167-G170 PolarHBondContact OD1-N 3Å; D167-G170 WeakPolarHBondContact OD2-CA 3.47Å | ||
| 171 | E | 86.2 | Confident | 89.4 | Confident | 84 Ų | 84 | 63.1 Ų | 63.1 | 39% | 0.393 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -71 | 143.2 | 166.9 | -61.9 | -61.7 | 155.4 | 0 | 0 | 108.5 | D169 K558 | D169-E171 HydrophobicContact CB-CG 4.2Å; D169-E171 PolarHBondContact O-N 2.68Å; D169-E171 WeakPolarHBondContact OD1-CB 3.3Å; D169-E171 PolarHBondContact OD1-N 3.16Å; E171-K558 WeakPolarHBondContact OE1-CE 3.13Å; E171-K558 IonicContact OE1-NZ 3.84Å; E171-K558 PolarHBondContact OE1-NZ 3.03Å; E171-K558 IonicContact OE2-NZ 4Å |
| 172 | M | 81 | Confident | 89.4 | Confident | 113 Ų | 113 | 59.6 Ų | 59.6 | 56% | 0.557 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 140.2 | 174 | -70 | -169.2 | 70.3 | 0 | 0 | 109.6 | A174 R846 | M172-A174 PolarHBondContact O-N 3.36Å; M172-R846 VanDerWaalsContact SD-CZ 3.57Å; M172-R846 PolarHBondContact SD-NH1 3.49Å; M172-R846 PolarHBondContact SD-NH2 3.35Å |
| 173 | P | 84.3 | Confident | 89.5 | Confident | 60 Ų | 60 | 57.1 Ų | 57.1 | 39% | 0.39 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -53.7 | 128.8 | 173.6 | -22.5 | 31.3 | 0 | 0 | 0 | 110.6 | S175 E251 K253 | P173-S175 PolarHBondContact O-N 3.11Å; P173-E251 WeakPolarHBondContact CA-OE2 3.27Å; P173-E251 HydrophobicContact CB-CB 4.08Å; P173-E251 VanDerWaalsContact CB-O 3.31Å; P173-E251 WeakPolarHBondContact CB-O 3.25Å; P173-K253 HydrophobicContact CG-CG 4.31Å |
| 174 | A | 84.6 | Confident | 89.3 | Confident | 30 Ų | 30 | 61.3 Ų | 61.3 | 25% | 0.248 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 134.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | M172 L199 T250 E251 | M172-A174 PolarHBondContact O-N 3.36Å; A174-L199 HydrophobicContact CB-CD2 3.78Å; A174-T250 CarbonylContact O-C 3.39Å; A174-T250 WeakPolarHBondContact O-CA 3.24Å; A174-E251 HydrophobicContact CB-CB 4.27Å; A174-E251 PolarHBondContact N-OE2 3.34Å; A174-E251 PolarHBondContact O-N 3.21Å |
| 175 | S | 85.6 | Confident | 89.2 | Confident | 74 Ų | 74 | 61.7 Ų | 61.7 | 52% | 0.517 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 124 | 177.1 | -177.8 | 0 | 0 | 0 | 0 | 109.4 | P173 V248 V249 | P173-S175 PolarHBondContact O-N 3.11Å; S175-V248 WeakPolarHBondContact OG-CG1 3.35Å; S175-V249 CarbonylContact C-O 3.55Å; S175-V249 VanDerWaalsContact CA-O 3.3Å; S175-V249 WeakPolarHBondContact CA-O 3.47Å |
| 176 | L | 86.1 | Confident | 89.1 | Confident | 19 Ų | 19 | 64.6 Ų | 64.6 | 10% | 0.099 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 139.7 | -166.8 | -57.1 | 166.1 | 0 | 0 | 0 | 110.9 | H197 L199 V248 V249 | L176-H197 HydrophobicContact CD1-CB 3.33Å; L176-H197 HydrophobicContact CD2-CB 4.25Å; L176-H197 HydrophobicContact CG-CB 4.4Å; L176-L199 HydrophobicContact CD1-CD1 3.84Å; L176-L199 HydrophobicContact CD1-CG 4.12Å; L176-V248 CarbonylContact O-C 3.48Å; L176-V248 VanDerWaalsContact O-CA 3.31Å; L176-V248 WeakPolarHBondContact O-CA 3.26Å; L176-V249 HydrophobicContact CB-CB 4.5Å; L176-V249 PolarHBondContact N-O 3.09Å; L176-V249 PolarHBondContact O-N 3.32Å |
| 177 | M | 83.8 | Confident | 89.2 | Confident | 38 Ų | 38 | 61.3 Ų | 61.3 | 19% | 0.187 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 138.3 | 174.2 | -63.8 | -60 | -59.7 | 0 | 0 | 110.6 | C191 A192 V248 | M177-C191 WeakPolarHBondContact O-CA 3.5Å; M177-A192 HydrophobicContact CB-CB 4.08Å; M177-A192 PolarHBondContact O-N 2.95Å; M177-V248 HydrophobicContact CE-CG2 4.25Å; M177-V248 HydrophobicContact SD-CG2 3.75Å |
| 178 | I | 87.3 | Confident | 89.4 | Confident | 5 Ų | 5 | 62 Ų | 62 | 3% | 0.026 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 129.3 | 176.5 | -58.2 | 177.9 | 0 | 0 | 0 | 109.3 | I181 V189 F207 V210 G247 V249 | I178-I181 HydrophobicContact CD1-CD1 3.96Å; I178-I181 HydrophobicContact CD1-CG1 4.5Å; I178-I181 HydrophobicContact CG2-CD1 4.13Å; I178-I181 HydrophobicContact CG2-CG1 3.61Å; I178-V189 HydrophobicContact CD1-CG1 4.31Å; I178-V189 HydrophobicContact CG1-CG1 4.09Å; I178-V189 HydrophobicContact CG2-CG1 4.14Å; I178-F207 HydrophobicContact CD1-CD1 3.6Å; I178-F207 HydrophobicContact CD1-CE1 3.81Å; I178-V210 HydrophobicContact CD1-CG2 4.01Å; I178-G247 PolarHBondContact N-O 3.02Å; I178-V249 HydrophobicContact CD1-CG2 3.44Å; I178-V249 VanDerWaalsContact CD1-CG2 3.44Å; I178-V249 HydrophobicContact CG1-CG2 3.54Å |
| 179 | D | 84.4 | Confident | 89.5 | Confident | 91 Ų | 91 | 55.6 Ų | 55.6 | 49% | 0.487 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | -56 | 166.8 | 178.8 | 56.1 | 0 | 0 | 0 | 110.3 | I190 H243 | D179-I190 HydrophobicContact CB-CG2 4.45Å; D179-I190 PolarHBondContact N-O 3.33Å; D179-H243 PolarHBondContact O-CE1 3.26Å |
| 180 | R | 88.1 | Confident | 89.6 | Confident | 135 Ų | 135 | 55.3 Ų | 55.3 | 51% | 0.509 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 148.1 | -178.1 | -169.6 | 178.8 | 67.9 | -177 | -2 | 112.9 | I190 | R180-I190 PolarHBondContact N-O 3.42Å; R180-I190 PolarHBondContact O-N 3.26Å |
| 181 | I | 93.7 | Very high | 89.6 | Confident | 7 Ų | 7 | 54.1 Ų | 54.1 | 4% | 0.036 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 126.3 | 169.4 | -45.7 | -179.7 | 0 | 0 | 0 | 109.6 | I178 V188 V189 V210 M213 L216 H243 | I178-I181 HydrophobicContact CD1-CD1 3.96Å; I178-I181 HydrophobicContact CD1-CG1 4.5Å; I178-I181 HydrophobicContact CG2-CD1 4.13Å; I178-I181 HydrophobicContact CG2-CG1 3.61Å; I181-V188 WeakPolarHBondContact CA-O 3.49Å; I181-V189 HydrophobicContact CG1-CG2 4.46Å; I181-V189 HydrophobicContact CG2-CG2 4.26Å; I181-V210 HydrophobicContact CD1-CG1 3.8Å; I181-V210 HydrophobicContact CD1-CG2 4.35Å; I181-M213 HydrophobicContact CB-CE 4.37Å; I181-M213 HydrophobicContact CB-SD 4.23Å; I181-M213 HydrophobicContact CD1-SD 4.48Å; I181-M213 HydrophobicContact CG2-CE 4.13Å; I181-M213 HydrophobicContact CG2-SD 3.76Å; I181-L216 HydrophobicContact CD1-CD1 3.47Å; I181-L216 VanDerWaalsContact CD1-CD1 3.47Å; I181-L216 HydrophobicContact CG2-CD1 4.3Å; I181-H243 HydrophobicContact CB-CB 3.99Å; I181-H243 HydrophobicContact CG1-CB 4.48Å; I181-H243 PolarHBondContact N-ND1 3.32Å |
| 182 | T | 94.9 | Very high | 89.4 | Confident | 35 Ų | 35 | 50.8 Ų | 50.8 | 22% | 0.215 | 27% | 0.274 | C | S | . | . | trans | -76.9 | 147.1 | 175 | 67.3 | 0 | 0 | 0 | 0 | 110.8 | D184 V188 T237 | T182-D184 PolarHBondContact O-N 2.99Å; T182-V188 HydrophobicContact CG2-CB 4.16Å; T182-V188 PolarHBondContact N-O 2.92Å; T182-V188 WeakPolarHBondContact OG1-CB 3.48Å; T182-V188 PolarHBondContact OG1-N 3.43Å; T182-T237 PolarHBondContact O-OG1 3.22Å | ||
| 183 | K | 95.3 | Very high | 88.6 | Confident | 106 Ų | 106 | 52 Ų | 52 | 46% | 0.461 | 28% | 0.282 | S | S | . | . | trans | -95.6 | 81.4 | 171.8 | -175.4 | 173 | 174.6 | 164.5 | 0 | 109 | M213 T237 S238 F240 | K183-M213 HydrophobicContact CB-CE 4.5Å; K183-T237 WeakPolarHBondContact CG-O 3.21Å; K183-S238 WeakPolarHBondContact CE-O 3.3Å; K183-F240 WeakPolarHBondContact CD-O 3.32Å; K183-F240 WeakPolarHBondContact CE-O 3.49Å; K183-F240 PolarHBondContact NZ-O 3.04Å | ||
| 184 | D | 93.9 | Very high | 87.7 | Confident | 98 Ų | 98 | 53.4 Ų | 53.4 | 52% | 0.524 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -148 | 177.1 | -171.2 | -153 | -11.8 | 0 | 0 | 0 | 111.8 | T182 P186 G187 T237 | T182-D184 PolarHBondContact O-N 2.99Å; D184-P186 CarbonylContact O-C 3.31Å; D184-G187 PolarHBondContact O-N 3.47Å; D184-T237 PolarHBondContact N-OG1 3.4Å; D184-T237 PolarHBondContact O-N 3.24Å; D184-T237 PolarHBondContact O-OG1 3.44Å |
| 185 | N | 93.6 | Very high | 86.8 | Confident | 104 Ų | 104 | 57 Ų | 57 | 56% | 0.556 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -125.2 | 103.6 | 172.9 | -172.6 | -11.9 | 0 | 0 | 0 | 111.3 | D236 | N185-D236 HydrophobicContact CB-CB 4.34Å; N185-D236 VanDerWaalsContact ND2-CG 3.31Å; N185-D236 PolarHBondContact ND2-OD2 3.11Å |
| 186 | P | 94.7 | Very high | 86.5 | Confident | 60 Ų | 60 | 60.3 Ų | 60.3 | 39% | 0.39 | 30% | 0.304 | S | S | . | . | S | Bend | cis | -75.8 | 152.7 | -1.3 | 32.4 | -35.9 | 0 | 0 | 0 | 112.3 | D184 I234 | D184-P186 CarbonylContact O-C 3.31Å; P186-I234 VanDerWaalsContact CB-O 3.24Å; P186-I234 WeakPolarHBondContact CB-O 3.41Å |
| 187 | G | 95.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.301 | C | S | . | . | trans | -65.2 | 143.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | D184 S233 I234 C235 T237 | D184-G187 PolarHBondContact O-N 3.47Å; G187-S233 CarbonylContact O-C 3.32Å; G187-S233 WeakPolarHBondContact O-CA 3.15Å; G187-I234 WeakPolarHBondContact O-CG1 3.43Å; G187-I234 PolarHBondContact O-N 3.23Å; G187-C235 PolarHBondContact N-O 2.85Å; G187-T237 VanDerWaalsContact CA-OG1 3.23Å; G187-T237 WeakPolarHBondContact CA-OG1 3.48Å | ||
| 188 | V | 96 | Very high | 86.4 | Confident | 36 Ų | 36 | 60.6 Ų | 60.6 | 22% | 0.218 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 122.9 | -179.2 | -179.4 | 0 | 0 | 0 | 0 | 109.3 | I181 T182 I190 | I181-V188 WeakPolarHBondContact CA-O 3.49Å; T182-V188 HydrophobicContact CG2-CB 4.16Å; T182-V188 PolarHBondContact N-O 2.92Å; T182-V188 WeakPolarHBondContact OG1-CB 3.48Å; T182-V188 PolarHBondContact OG1-N 3.43Å; V188-I190 HydrophobicContact CG1-CG1 4.43Å |
| 189 | V | 93.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 127.7 | 172.6 | -177.2 | 0 | 0 | 0 | 0 | 108.2 | I178 I181 F207 S231 F232 I234 V249 | I178-V189 HydrophobicContact CD1-CG1 4.31Å; I178-V189 HydrophobicContact CG1-CG1 4.09Å; I178-V189 HydrophobicContact CG2-CG1 4.14Å; I181-V189 HydrophobicContact CG1-CG2 4.46Å; I181-V189 HydrophobicContact CG2-CG2 4.26Å; V189-F207 HydrophobicContact CG2-CE1 3.85Å; V189-F207 HydrophobicContact CG2-CZ 3.97Å; V189-S231 WeakPolarHBondContact O-CA 3.45Å; V189-S231 VanDerWaalsContact O-CB 3.32Å; V189-S231 WeakPolarHBondContact O-CB 3.4Å; V189-F232 HydrophobicContact CB-CD2 4.15Å; V189-F232 HydrophobicContact CB-CE1 4.42Å; V189-F232 HydrophobicContact CB-CE2 3.68Å; V189-F232 HydrophobicContact CB-CZ 3.82Å; V189-F232 HydrophobicContact CG1-CE1 4.34Å; V189-F232 HydrophobicContact CG1-CE2 4.15Å; V189-F232 HydrophobicContact CG1-CZ 3.79Å; V189-F232 HydrophobicContact CG2-CD2 4.42Å; V189-F232 HydrophobicContact CG2-CE2 3.82Å; V189-F232 HydrophobicContact CG2-CZ 4.31Å; V189-F232 PolarHBondContact N-O 3.35Å; V189-F232 PolarHBondContact O-N 2.65Å; V189-F232 VanDerWaalsContact O-N 3.11Å; V189-I234 HydrophobicContact CG2-CD1 3.88Å; V189-I234 HydrophobicContact CG2-CG1 4.21Å; V189-I234 HydrophobicContact CG2-CG2 4Å; V189-V249 HydrophobicContact CG1-CG2 4.3Å |
| 190 | I | 91.1 | Very high | 86.7 | Confident | 39 Ų | 39 | 64.1 Ų | 64.1 | 20% | 0.2 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 119.8 | 173.4 | -58.4 | 166.7 | 0 | 0 | 0 | 106.4 | D179 R180 V188 | D179-I190 HydrophobicContact CB-CG2 4.45Å; D179-I190 PolarHBondContact N-O 3.33Å; R180-I190 PolarHBondContact N-O 3.42Å; R180-I190 PolarHBondContact O-N 3.26Å; V188-I190 HydrophobicContact CG1-CG1 4.43Å |
| 191 | C | 88.2 | Confident | 86.9 | Confident | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.014 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 156.8 | 177.9 | -58.6 | 0 | 0 | 0 | 0 | 110.3 | M177 Y230 | M177-C191 WeakPolarHBondContact O-CA 3.5Å; C191-Y230 PolarHBondContact N-O 2.99Å |
| 192 | A | 80.9 | Confident | 86.7 | Confident | 14 Ų | 14 | 64 Ų | 64 | 12% | 0.116 | 35% | 0.348 | C | S | . | . | trans | -59.4 | 144.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | M177 D194 | M177-A192 HydrophobicContact CB-CB 4.08Å; M177-A192 PolarHBondContact O-N 2.95Å; A192-D194 PolarHBondContact O-N 3.39Å | ||
| 193 | D | 65.3 | Low | 86.5 | Confident | 138 Ų | 138 | 63.4 Ų | 63.4 | 74% | 0.738 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -1.8 | -170.5 | -78.4 | -25.6 | 0 | 0 | 0 | 115.3 | ||
| 194 | D | 65.1 | Low | 86.4 | Confident | 91 Ų | 91 | 61.4 Ų | 61.4 | 49% | 0.487 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -24.2 | -173.3 | 64 | -33.9 | 0 | 0 | 0 | 113.6 | A192 | A192-D194 PolarHBondContact O-N 3.39Š|
| 195 | Q | 64.4 | Low | 86.4 | Confident | 104 Ų | 104 | 56.8 Ų | 56.8 | 49% | 0.486 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -147.4 | 143.2 | 178 | -62.7 | -170.5 | -5 | 0 | 0 | 113.2 | Y230 | Q195-Y230 WeakPolarHBondContact O-CD1 3.47Š|
| 196 | K | 81.2 | Confident | 86.5 | Confident | 145 Ų | 145 | 53.9 Ų | 53.9 | 63% | 0.63 | 30% | 0.297 | S | S | * | . | trans | -64.5 | 140.3 | 167.8 | -63 | -177.7 | -178.8 | 175.4 | 0 | 109.2 | G198 P229 Y230 | K196-G198 VanDerWaalsContact C-N 3.3Å; K196-G198 PolarHBondContact O-N 3.4Å; K196-P229 WeakPolarHBondContact CA-O 3.27Å; K196-P229 HydrophobicContact CD-CB 4.21Å; K196-P229 HydrophobicContact CG-CB 4.14Å; K196-Y230 HydrophobicContact CB-CE1 4.45Å; K196-Y230 HydrophobicContact CG-CE1 3.92Å | ||
| 197 | H | 83.3 | Confident | 86.5 | Confident | 11 Ų | 11 | 51.5 Ų | 51.5 | 5% | 0.051 | 28% | 0.28 | C | S | . | . | trans | -68.6 | -25.3 | -174.9 | 55.8 | 62.6 | 0 | 0 | 0 | 114.6 | L176 L199 G228 P229 S231 F232 | L176-H197 HydrophobicContact CD1-CB 3.33Å; L176-H197 HydrophobicContact CD2-CB 4.25Å; L176-H197 HydrophobicContact CG-CB 4.4Å; H197-L199 HydrophobicContact CB-CG 4.31Å; H197-L199 PolarHBondContact ND1-N 3.04Å; H197-L199 PolarHBondContact O-N 3.47Å; H197-G228 PolarHBondContact CE1-O 3.5Å; H197-G228 PolarHBondContact NE2-O 2.91Å; H197-P229 PolarHBondContact CD2-O 3.31Å; H197-P229 VanDerWaalsContact CD2-O 3.25Å; H197-P229 PolarHBondContact N-O 2.98Å; H197-P229 VanDerWaalsContact N-O 3.09Å; H197-S231 PolarHBondContact CD2-N 2.95Å; H197-S231 PolarHBondContact NE2-O 3.31Å; H197-F232 AromaticContact CD2-CD1 3.97Å | ||
| 198 | G | 83.4 | Confident | 86.2 | Confident | 52 Ų | 52 | 53.7 Ų | 53.7 | 54% | 0.536 | 30% | 0.296 | S | S | . | . | trans | 68.2 | -5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | K196 F200 | K196-G198 VanDerWaalsContact C-N 3.3Å; K196-G198 PolarHBondContact O-N 3.4Å; G198-F200 WeakPolarHBondContact O-CE2 3.28Å | ||
| 199 | L | 88.8 | Confident | 85.8 | Confident | 12 Ų | 12 | 55.3 Ų | 55.3 | 6% | 0.063 | 30% | 0.301 | C | S | . | . | trans | -70.2 | 159.9 | 175.3 | -48.2 | 177.6 | 0 | 0 | 0 | 113.1 | A174 L176 H197 T203 V205 I224 V226 F232 E251 | A174-L199 HydrophobicContact CB-CD2 3.78Å; L176-L199 HydrophobicContact CD1-CD1 3.84Å; L176-L199 HydrophobicContact CD1-CG 4.12Å; H197-L199 HydrophobicContact CB-CG 4.31Å; H197-L199 PolarHBondContact ND1-N 3.04Å; H197-L199 PolarHBondContact O-N 3.47Å; L199-T203 HydrophobicContact CD2-CG2 4.25Å; L199-V205 HydrophobicContact CD1-CG1 4.04Å; L199-I224 HydrophobicContact CB-CD1 3.62Å; L199-I224 HydrophobicContact CD1-CD1 3.49Å; L199-I224 VanDerWaalsContact CD1-CD1 3.49Å; L199-I224 HydrophobicContact CG-CD1 4.18Å; L199-V226 WeakPolarHBondContact O-CG2 3.44Å; L199-F232 HydrophobicContact CD1-CD1 4.35Å; L199-F232 HydrophobicContact CD1-CE1 4.02Å; L199-F232 HydrophobicContact CD1-CZ 4.47Å; L199-E251 HydrophobicContact CD2-CB 4.38Å | ||
| 200 | F | 88.7 | Confident | 85.6 | Confident | 157 Ų | 157 | 55.4 Ų | 55.4 | 69% | 0.689 | 30% | 0.301 | S | S | * | . | trans | -122.5 | 162.4 | 178.6 | -51.8 | -85.9 | 0 | 0 | 0 | 111.8 | G198 G202 T203 | G198-F200 WeakPolarHBondContact O-CE2 3.28Å; F200-G202 PolarHBondContact O-N 2.92Å; F200-T203 PolarHBondContact N-OG1 2.98Å; F200-T203 VanDerWaalsContact O-CB 3.26Å; F200-T203 WeakPolarHBondContact O-CB 3.35Å; F200-T203 PolarHBondContact O-N 3.37Å; F200-T203 VanDerWaalsContact O-N 3.12Å; F200-T203 PolarHBondContact O-OG1 3.36Å | ||
| 201 | D | 92.3 | Very high | 85.4 | Confident | 104 Ų | 104 | 57.7 Ų | 57.7 | 56% | 0.556 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 135.4 | 175.1 | -75.3 | -12.3 | 0 | 0 | 0 | 111.8 | T203 K225 V226 | D201-T203 VanDerWaalsContact C-N 3.3Å; D201-K225 WeakPolarHBondContact OD1-CA 3.47Å; D201-V226 WeakPolarHBondContact OD1-CB 3.36Å; D201-V226 PolarHBondContact OD1-N 2.8Å |
| 202 | G | 89.1 | Confident | 85.4 | Confident | 37 Ų | 37 | 58.5 Ų | 58.5 | 38% | 0.381 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | -1.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | F200 I224 | F200-G202 PolarHBondContact O-N 2.92Å; G202-I224 PolarHBondContact N-O 2.82Å |
| 203 | T | 91 | Very high | 86.1 | Confident | 21 Ų | 21 | 57.8 Ų | 57.8 | 13% | 0.129 | 31% | 0.314 | C | S | . | . | trans | -63.4 | 138.4 | 172.1 | -56.1 | 0 | 0 | 0 | 0 | 109.8 | L199 F200 D201 V205 E223 I224 E251 | L199-T203 HydrophobicContact CD2-CG2 4.25Å; F200-T203 PolarHBondContact N-OG1 2.98Å; F200-T203 VanDerWaalsContact O-CB 3.26Å; F200-T203 WeakPolarHBondContact O-CB 3.35Å; F200-T203 PolarHBondContact O-N 3.37Å; F200-T203 VanDerWaalsContact O-N 3.12Å; F200-T203 PolarHBondContact O-OG1 3.36Å; D201-T203 VanDerWaalsContact C-N 3.3Å; T203-V205 HydrophobicContact CG2-CG1 4.32Å; T203-E223 WeakPolarHBondContact O-CA 3.46Å; T203-I224 WeakPolarHBondContact O-CG1 3.45Å; T203-I224 PolarHBondContact O-N 3.26Å; T203-E251 HydrophobicContact CG2-CG 3.81Å | ||
| 204 | K | 93.9 | Very high | 87.4 | Confident | 65 Ų | 65 | 55.1 Ų | 55.1 | 28% | 0.283 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 139.9 | 172.5 | -65.6 | -165.3 | -170.1 | 161.8 | 0 | 111.2 | P221 V222 E223 V252 Q254 | K204-P221 HydrophobicContact CB-CB 4Å; K204-P221 HydrophobicContact CD-CB 4.27Å; K204-V222 CarbonylContact C-O 3.54Å; K204-V222 VanDerWaalsContact CA-O 3.28Å; K204-V222 WeakPolarHBondContact CA-O 3.37Å; K204-E223 HydrophobicContact CG-CB 4.37Å; K204-V252 PolarHBondContact O-N 2.92Å; K204-Q254 HydrophobicContact CD-CG 4.41Å |
| 205 | V | 94.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 154 | -177.9 | -56.4 | 0 | 0 | 0 | 0 | 112.4 | L199 T203 F207 P221 V222 I224 V249 T250 | L199-V205 HydrophobicContact CD1-CG1 4.04Å; T203-V205 HydrophobicContact CG2-CG1 4.32Å; V205-F207 HydrophobicContact CG2-CE2 3.78Å; V205-F207 HydrophobicContact CG2-CZ 3.98Å; V205-P221 CarbonylContact O-C 3.48Å; V205-P221 WeakPolarHBondContact O-CA 3.41Å; V205-V222 PolarHBondContact N-O 3.43Å; V205-V222 PolarHBondContact O-N 2.72Å; V205-I224 HydrophobicContact CB-CG2 4.36Å; V205-I224 HydrophobicContact CG1-CD1 4.47Å; V205-I224 HydrophobicContact CG1-CG2 3.93Å; V205-I224 HydrophobicContact CG2-CG2 3.53Å; V205-V249 HydrophobicContact CB-CG1 3.44Å; V205-V249 VanDerWaalsContact CB-CG1 3.44Å; V205-V249 HydrophobicContact CG1-CG1 3.71Å; V205-V249 HydrophobicContact CG2-CG1 3.65Å; V205-T250 CarbonylContact C-O 3.54Å; V205-T250 WeakPolarHBondContact CA-O 3Å |
| 206 | T | 95.2 | Very high | 90.1 | Very high | 44 Ų | 44 | 48.7 Ų | 48.7 | 27% | 0.27 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 153.3 | 169.6 | 49.6 | 0 | 0 | 0 | 0 | 110.7 | P221 V249 T250 V252 | T206-P221 HydrophobicContact CG2-CB 4.18Å; T206-P221 HydrophobicContact CG2-CG 3.82Å; T206-V249 WeakPolarHBondContact O-CA 3.18Å; T206-T250 PolarHBondContact N-O 3.09Å; T206-T250 PolarHBondContact O-N 3.35Å; T206-V252 HydrophobicContact CG2-CG2 3.73Å |
| 207 | F | 93.9 | Very high | 90.6 | Very high | 9 Ų | 9 | 44.4 Ų | 44.4 | 4% | 0.039 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 142.4 | -179.5 | -65.7 | -95.2 | 0 | 0 | 0 | 110.6 | I178 V189 V205 V210 L216 N217 V222 I234 V248 V249 | I178-F207 HydrophobicContact CD1-CD1 3.6Å; I178-F207 HydrophobicContact CD1-CE1 3.81Å; V189-F207 HydrophobicContact CG2-CE1 3.85Å; V189-F207 HydrophobicContact CG2-CZ 3.97Å; V205-F207 HydrophobicContact CG2-CE2 3.78Å; V205-F207 HydrophobicContact CG2-CZ 3.98Å; F207-V210 HydrophobicContact CB-CG2 4Å; F207-V210 HydrophobicContact CD1-CG2 4.16Å; F207-L216 HydrophobicContact CB-CB 3.97Å; F207-L216 HydrophobicContact CD1-CD1 4.36Å; F207-L216 HydrophobicContact CD2-CB 4.36Å; F207-L216 HydrophobicContact CD2-CD2 4.22Å; F207-L216 HydrophobicContact CE2-CD2 4.35Å; F207-L216 HydrophobicContact CG-CB 4.04Å; F207-N217 WeakPolarHBondContact O-CA 3.46Å; F207-V222 HydrophobicContact CE2-CB 4.45Å; F207-V222 HydrophobicContact CE2-CG2 4.42Å; F207-I234 HydrophobicContact CE2-CD1 4.5Å; F207-I234 HydrophobicContact CE2-CG2 4.48Å; F207-I234 HydrophobicContact CZ-CD1 4.1Å; F207-I234 HydrophobicContact CZ-CG2 4Å; F207-V248 WeakPolarHBondContact CA-O 3.38Å; F207-V249 HydrophobicContact CD1-CG2 3.75Å; F207-V249 HydrophobicContact CE1-CG2 3.41Å; F207-V249 VanDerWaalsContact CE1-CG2 3.41Å; F207-V249 HydrophobicContact CZ-CG2 4.14Å |
| 208 | S | 90.7 | Very high | 91 | Very high | 46 Ų | 46 | 49.2 Ų | 49.2 | 32% | 0.322 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 160.3 | 170.4 | 57.6 | 0 | 0 | 0 | 0 | 110.1 | V210 N217 G247 V248 | S208-V210 PolarHBondContact O-N 2.75Å; S208-N217 VanDerWaalsContact CA-OD1 3.3Å; S208-N217 WeakPolarHBondContact CA-OD1 3.43Å; S208-G247 CarbonylContact O-C 3.56Å; S208-G247 VanDerWaalsContact O-CA 3.28Å; S208-G247 WeakPolarHBondContact O-CA 3.33Å; S208-V248 PolarHBondContact N-O 2.72Å; S208-V248 PolarHBondContact O-N 3.22Å |
| 209 | E | 86.9 | Confident | 91.4 | Very high | 70 Ų | 70 | 49.9 Ų | 49.9 | 33% | 0.327 | 28% | 0.279 | S | S | . | . | S | Bend | trans | 60.1 | 13.6 | 177.1 | -55 | 178.5 | -158.3 | 0 | 0 | 115.5 | Q211 N217 G247 R706 | E209-Q211 PolarHBondContact O-N 3.06Å; E209-N217 PolarHBondContact N-OD1 2.98Å; E209-G247 PolarHBondContact O-N 3.45Å; E209-G247 VanDerWaalsContact O-N 3.15Å; E209-R706 IonicContact OE1-NH2 3.82Å; E209-R706 IonicContact OE2-CZ 2.77Å; E209-R706 IonicContact OE2-NH1 3.68Å; E209-R706 PolarHBondContact OE2-NH1 3.42Å; E209-R706 VanDerWaalsContact OE2-NH1 3.14Å; E209-R706 IonicContact OE2-NH2 3.88Å; E209-R706 PolarHBondContact OE2-NH2 3.39Å |
| 210 | V | 89.7 | Confident | 91.5 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.012 | 31% | 0.306 | C | S | . | . | trans | -73.3 | 112.6 | 177.8 | -175.2 | 0 | 0 | 0 | 0 | 109 | I178 I181 F207 S208 M213 N217 | I178-V210 HydrophobicContact CD1-CG2 4.01Å; I181-V210 HydrophobicContact CD1-CG1 3.8Å; I181-V210 HydrophobicContact CD1-CG2 4.35Å; F207-V210 HydrophobicContact CB-CG2 4Å; F207-V210 HydrophobicContact CD1-CG2 4.16Å; S208-V210 PolarHBondContact O-N 2.75Å; V210-M213 HydrophobicContact CG1-CB 3.97Å; V210-M213 WeakPolarHBondContact CG1-O 3.46Å; V210-N217 VanDerWaalsContact CB-OD1 3.31Å; V210-N217 WeakPolarHBondContact CB-OD1 3.45Å; V210-N217 WeakPolarHBondContact CG2-OD1 3.35Å; V210-N217 PolarHBondContact N-OD1 3.46Å; V210-N217 PolarHBondContact O-ND2 2.66Å | ||
| 211 | Q | 85.9 | Confident | 91.8 | Very high | 88 Ų | 88 | 48.3 Ų | 48.3 | 41% | 0.411 | 29% | 0.291 | S | S | . | . | B | Isolated β-bridge | trans | -94.2 | 144.8 | 176.4 | -56.1 | -177.8 | 7.9 | 0 | 0 | 110.5 | E209 M213 H243 E244 R245 | E209-Q211 PolarHBondContact O-N 3.06Å; Q211-M213 PolarHBondContact O-N 2.85Å; Q211-M213 VanDerWaalsContact O-N 3.13Å; Q211-H243 PolarHBondContact O-CD2 2.98Å; Q211-E244 PolarHBondContact O-N 3.21Å; Q211-R245 HydrophobicContact CB-CG 4.21Å; Q211-R245 WeakPolarHBondContact CB-O 3.42Å; Q211-R245 PolarHBondContact N-O 2.82Å; Q211-R245 VanDerWaalsContact N-O 3.1Å |
| 212 | G | 90.1 | Very high | 91.9 | Very high | 18 Ų | 18 | 43.9 Ų | 43.9 | 19% | 0.186 | 27% | 0.268 | C | S | . | . | S | Bend | trans | 82.3 | -41.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | S241 S242 | G212-S241 WeakPolarHBondContact O-CB 3.41Å; G212-S242 CarbonylContact C-O 3.34Å; G212-S242 WeakPolarHBondContact CA-O 3.35Å |
| 213 | M | 93.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -111.8 | 60.3 | 177.6 | -167.8 | -179.3 | -72.5 | 0 | 0 | 111.1 | I181 K183 V210 Q211 E215 L216 T237 F240 S241 H243 | I181-M213 HydrophobicContact CB-CE 4.37Å; I181-M213 HydrophobicContact CB-SD 4.23Å; I181-M213 HydrophobicContact CD1-SD 4.48Å; I181-M213 HydrophobicContact CG2-CE 4.13Å; I181-M213 HydrophobicContact CG2-SD 3.76Å; K183-M213 HydrophobicContact CB-CE 4.5Å; V210-M213 HydrophobicContact CG1-CB 3.97Å; V210-M213 WeakPolarHBondContact CG1-O 3.46Å; Q211-M213 PolarHBondContact O-N 2.85Å; Q211-M213 VanDerWaalsContact O-N 3.13Å; M213-E215 PolarHBondContact O-N 2.94Å; M213-L216 HydrophobicContact CG-CD1 3.97Å; M213-L216 HydrophobicContact CG-CG 4.24Å; M213-L216 PolarHBondContact O-N 3.15Å; M213-L216 HydrophobicContact SD-CD1 3.45Å; M213-L216 WeakPolarHBondContact SD-CD1 3.21Å; M213-L216 HydrophobicContact SD-CG 4.14Å; M213-T237 HydrophobicContact SD-CG2 4.21Å; M213-F240 HydrophobicContact CE-CB 4.47Å; M213-F240 HydrophobicContact CG-CB 3.85Å; M213-F240 HydrophobicContact CG-CD2 3.99Å; M213-F240 HydrophobicContact CG-CG 4.44Å; M213-F240 HydrophobicContact SD-CB 4.27Å; M213-F240 HydrophobicContact SD-CD2 4.04Å; M213-S241 WeakPolarHBondContact CB-O 2.95Å; M213-S241 WeakPolarHBondContact CE-O 3.39Å; M213-S241 VanDerWaalsContact CG-O 3.32Å; M213-S241 WeakPolarHBondContact CG-O 3.44Å; M213-H243 HydrophobicContact CB-CB 4.22Å; M213-H243 HydrophobicContact CE-CB 4.23Å | ||
| 214 | T | 92.6 | Very high | 92.3 | Very high | 81 Ų | 81 | 47.3 Ų | 47.3 | 50% | 0.497 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -68.7 | -18.2 | -168.5 | 56.3 | 0 | 0 | 0 | 0 | 114.9 | L216 N217 | T214-L216 PolarHBondContact O-N 3.44Å; T214-N217 WeakPolarHBondContact O-CB 3.45Å; T214-N217 PolarHBondContact O-N 3.07Å |
| 215 | E | 94.4 | Very high | 92.4 | Very high | 61 Ų | 61 | 50.5 Ų | 50.5 | 29% | 0.285 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -55.8 | -39.1 | 178.4 | -59 | 88.4 | 157.4 | 0 | 0 | 110.7 | M213 N217 S218 M219 F240 S241 | M213-E215 PolarHBondContact O-N 2.94Å; E215-N217 VanDerWaalsContact C-N 3.29Å; E215-N217 PolarHBondContact O-N 2.76Å; E215-S218 PolarHBondContact O-N 3.18Å; E215-M219 WeakPolarHBondContact O-CG 3.44Å; E215-F240 HydrophobicContact CB-CD1 4.3Å; E215-F240 HydrophobicContact CB-CD2 4.11Å; E215-F240 HydrophobicContact CB-CE1 4.42Å; E215-F240 HydrophobicContact CB-CE2 4.21Å; E215-F240 HydrophobicContact CB-CG 4.17Å; E215-F240 HydrophobicContact CB-CZ 4.37Å; E215-F240 HydrophobicContact CG-CD1 4.37Å; E215-F240 HydrophobicContact CG-CG 4.37Å; E215-S241 WeakPolarHBondContact OE1-CB 3.33Å; E215-S241 PolarHBondContact OE1-N 3.44Å; E215-S241 PolarHBondContact OE1-OG 2.97Å |
| 216 | L | 93.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -60.8 | -34.5 | 178.2 | -73.8 | 174.3 | 0 | 0 | 0 | 113.1 | I181 F207 M213 T214 S218 M219 I234 F240 | I181-L216 HydrophobicContact CD1-CD1 3.47Å; I181-L216 VanDerWaalsContact CD1-CD1 3.47Å; I181-L216 HydrophobicContact CG2-CD1 4.3Å; F207-L216 HydrophobicContact CB-CB 3.97Å; F207-L216 HydrophobicContact CD1-CD1 4.36Å; F207-L216 HydrophobicContact CD2-CB 4.36Å; F207-L216 HydrophobicContact CD2-CD2 4.22Å; F207-L216 HydrophobicContact CE2-CD2 4.35Å; F207-L216 HydrophobicContact CG-CB 4.04Å; M213-L216 HydrophobicContact CG-CD1 3.97Å; M213-L216 HydrophobicContact CG-CG 4.24Å; M213-L216 PolarHBondContact O-N 3.15Å; M213-L216 HydrophobicContact SD-CD1 3.45Å; M213-L216 WeakPolarHBondContact SD-CD1 3.21Å; M213-L216 HydrophobicContact SD-CG 4.14Å; T214-L216 PolarHBondContact O-N 3.44Å; L216-S218 PolarHBondContact O-N 2.9Å; L216-S218 VanDerWaalsContact O-N 3.16Å; L216-M219 HydrophobicContact CD2-SD 3.88Å; L216-M219 PolarHBondContact O-N 3.27Å; L216-I234 HydrophobicContact CD1-CD1 4.28Å; L216-I234 HydrophobicContact CD2-CD1 3.88Å; L216-F240 HydrophobicContact CD2-CD2 4.35Å; L216-F240 HydrophobicContact CD2-CE2 3.78Å; L216-F240 HydrophobicContact CG-CD2 4.15Å; L216-F240 HydrophobicContact CG-CE2 4.01Å |
| 217 | N | 92.1 | Very high | 92.3 | Very high | 54 Ų | 54 | 54.2 Ų | 54.2 | 29% | 0.289 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -65.5 | -20.4 | -177.1 | -63.9 | -41.6 | 0 | 0 | 0 | 113.3 | F207 S208 E209 V210 T214 E215 | F207-N217 WeakPolarHBondContact O-CA 3.46Å; S208-N217 VanDerWaalsContact CA-OD1 3.3Å; S208-N217 WeakPolarHBondContact CA-OD1 3.43Å; E209-N217 PolarHBondContact N-OD1 2.98Å; V210-N217 VanDerWaalsContact CB-OD1 3.31Å; V210-N217 WeakPolarHBondContact CB-OD1 3.45Å; V210-N217 WeakPolarHBondContact CG2-OD1 3.35Å; V210-N217 PolarHBondContact N-OD1 3.46Å; V210-N217 PolarHBondContact O-ND2 2.66Å; T214-N217 WeakPolarHBondContact O-CB 3.45Å; T214-N217 PolarHBondContact O-N 3.07Å; E215-N217 VanDerWaalsContact C-N 3.29Å; E215-N217 PolarHBondContact O-N 2.76Å |
| 218 | S | 90.6 | Very high | 92.2 | Very high | 113 Ų | 113 | 54.8 Ų | 54.8 | 79% | 0.79 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -108.7 | 2.2 | -177.6 | -57.2 | 0 | 0 | 0 | 0 | 113 | E215 L216 | E215-S218 PolarHBondContact O-N 3.18Å; L216-S218 PolarHBondContact O-N 2.9Å; L216-S218 VanDerWaalsContact O-N 3.16Å |
| 219 | M | 91.5 | Very high | 92.1 | Very high | 66 Ų | 66 | 56 Ų | 56 | 33% | 0.325 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -76.7 | 147.9 | -178.5 | -78.1 | -175.7 | 69.2 | 0 | 0 | 112.1 | E215 L216 V222 F240 | E215-M219 WeakPolarHBondContact O-CG 3.44Å; L216-M219 HydrophobicContact CD2-SD 3.88Å; L216-M219 PolarHBondContact O-N 3.27Å; M219-V222 HydrophobicContact CB-CG2 4.42Å; M219-V222 HydrophobicContact CE-CG2 3.85Å; M219-F240 HydrophobicContact SD-CE2 3.82Å; M219-F240 HydrophobicContact SD-CZ 3.71Å |
| 220 | A | 91.8 | Very high | 92.3 | Very high | 76 Ų | 76 | 56.6 Ų | 56.6 | 63% | 0.628 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 160.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | V222 | A220-V222 WeakPolarHBondContact O-CG2 3.37Å; A220-V222 PolarHBondContact O-N 2.75Å |
| 221 | P | 94 | Very high | 92.4 | Very high | 59 Ų | 59 | 57.8 Ų | 57.8 | 38% | 0.383 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -50.8 | 125.7 | -177.7 | -27.1 | 33.4 | 0 | 0 | 0 | 112.8 | K204 V205 T206 V252 | K204-P221 HydrophobicContact CB-CB 4Å; K204-P221 HydrophobicContact CD-CB 4.27Å; V205-P221 CarbonylContact O-C 3.48Å; V205-P221 WeakPolarHBondContact O-CA 3.41Å; T206-P221 HydrophobicContact CG2-CB 4.18Å; T206-P221 HydrophobicContact CG2-CG 3.82Å; P221-V252 HydrophobicContact CB-CB 4.33Å; P221-V252 HydrophobicContact CB-CG2 4.1Å; P221-V252 HydrophobicContact CG-CB 4.45Å; P221-V252 HydrophobicContact CG-CG1 4.26Å; P221-V252 HydrophobicContact CG-CG2 4.06Å |
| 222 | V | 94.3 | Very high | 92.9 | Very high | 12 Ų | 12 | 53.6 Ų | 53.6 | 7% | 0.073 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 130.6 | -174.9 | -175.3 | 0 | 0 | 0 | 0 | 109.4 | K204 V205 F207 M219 A220 I234 C235 | K204-V222 CarbonylContact C-O 3.54Å; K204-V222 VanDerWaalsContact CA-O 3.28Å; K204-V222 WeakPolarHBondContact CA-O 3.37Å; V205-V222 PolarHBondContact N-O 3.43Å; V205-V222 PolarHBondContact O-N 2.72Å; F207-V222 HydrophobicContact CE2-CB 4.45Å; F207-V222 HydrophobicContact CE2-CG2 4.42Å; M219-V222 HydrophobicContact CB-CG2 4.42Å; M219-V222 HydrophobicContact CE-CG2 3.85Å; A220-V222 WeakPolarHBondContact O-CG2 3.37Å; A220-V222 PolarHBondContact O-N 2.75Å; V222-I234 HydrophobicContact CG1-CB 4Å; V222-I234 HydrophobicContact CG1-CG2 4.37Å; V222-C235 HydrophobicContact CG1-CB 4.27Å |
| 223 | E | 95.1 | Very high | 93.2 | Very high | 124 Ų | 124 | 53.4 Ų | 53.4 | 58% | 0.579 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74 | 136.6 | 173.8 | -170.1 | 175.3 | 125.2 | 0 | 0 | 110.8 | T203 K204 | T203-E223 WeakPolarHBondContact O-CA 3.46Å; K204-E223 HydrophobicContact CG-CB 4.37Å |
| 224 | I | 94.9 | Very high | 93.3 | Very high | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | trans | -109.4 | 158.3 | -177.2 | 80.9 | 179.6 | 0 | 0 | 0 | 112.4 | L199 G202 T203 V205 F232 S233 I234 | L199-I224 HydrophobicContact CB-CD1 3.62Å; L199-I224 HydrophobicContact CD1-CD1 3.49Å; L199-I224 VanDerWaalsContact CD1-CD1 3.49Å; L199-I224 HydrophobicContact CG-CD1 4.18Å; G202-I224 PolarHBondContact N-O 2.82Å; T203-I224 WeakPolarHBondContact O-CG1 3.45Å; T203-I224 PolarHBondContact O-N 3.26Å; V205-I224 HydrophobicContact CB-CG2 4.36Å; V205-I224 HydrophobicContact CG1-CD1 4.47Å; V205-I224 HydrophobicContact CG1-CG2 3.93Å; V205-I224 HydrophobicContact CG2-CG2 3.53Å; I224-F232 HydrophobicContact CB-CB 4.34Å; I224-F232 HydrophobicContact CB-CD2 3.73Å; I224-F232 HydrophobicContact CB-CE2 4.4Å; I224-F232 HydrophobicContact CB-CG 4.24Å; I224-F232 HydrophobicContact CD1-CB 4.24Å; I224-F232 HydrophobicContact CD1-CD1 4.34Å; I224-F232 HydrophobicContact CD1-CD2 4.14Å; I224-F232 HydrophobicContact CD1-CG 3.98Å; I224-F232 HydrophobicContact CG1-CD2 4.48Å; I224-F232 HydrophobicContact CG2-CD2 3.67Å; I224-F232 HydrophobicContact CG2-CE2 3.83Å; I224-S233 WeakPolarHBondContact CA-O 3.4Å; I224-I234 HydrophobicContact CG2-CG2 4.2Å | ||
| 225 | K | 96.1 | Very high | 93.4 | Very high | 132 Ų | 132 | 52 Ų | 52 | 57% | 0.574 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 123.5 | 164.7 | -178.4 | -178.4 | -177.3 | 178.1 | 0 | 110.3 | D201 C227 F232 S233 | D201-K225 WeakPolarHBondContact OD1-CA 3.47Å; K225-C227 PolarHBondContact O-N 2.9Å; K225-F232 CarbonylContact O-C 3.03Å; K225-F232 VanDerWaalsContact O-CA 3.25Å; K225-F232 WeakPolarHBondContact O-CA 3.14Å; K225-F232 WeakPolarHBondContact O-CB 3.36Å; K225-S233 PolarHBondContact N-O 2.78Å; K225-S233 PolarHBondContact O-N 3.45Å; K225-S233 PolarHBondContact O-OG 3.41Å |
| 226 | V | 95.1 | Very high | 93.4 | Very high | 46 Ų | 46 | 52 Ų | 52 | 28% | 0.279 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 127.2 | -176.4 | 178.2 | 0 | 0 | 0 | 0 | 110.1 | L199 D201 G228 | L199-V226 WeakPolarHBondContact O-CG2 3.44Å; D201-V226 WeakPolarHBondContact OD1-CB 3.36Å; D201-V226 PolarHBondContact OD1-N 2.8Å; V226-G228 VanDerWaalsContact CG1-O 3.3Å; V226-G228 WeakPolarHBondContact CG1-O 3.34Å |
| 227 | C | 92.3 | Very high | 93.5 | Very high | 76 Ų | 76 | 52 Ų | 52 | 51% | 0.514 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | -26.7 | 176.9 | -60.7 | 0 | 0 | 0 | 0 | 112 | K225 S231 S233 | K225-C227 PolarHBondContact O-N 2.9Å; C227-S231 WeakPolarHBondContact CA-O 3.31Å; C227-S231 PolarHBondContact N-O 2.83Å; C227-S233 PolarHBondContact SG-N 2.96Å; C227-S233 VanDerWaalsContact SG-N 3.45Å |
| 228 | G | 90.7 | Very high | 93.6 | Very high | 21 Ų | 21 | 52.2 Ų | 52.2 | 22% | 0.216 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.6 | -171.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | H197 V226 Y230 S231 | H197-G228 PolarHBondContact CE1-O 3.5Å; H197-G228 PolarHBondContact NE2-O 2.91Å; V226-G228 VanDerWaalsContact CG1-O 3.3Å; V226-G228 WeakPolarHBondContact CG1-O 3.34Å; G228-Y230 PolarHBondContact O-N 2.93Å; G228-S231 PolarHBondContact N-O 2.74Å |
| 229 | P | 88.8 | Confident | 93.7 | Very high | 70 Ų | 70 | 51.4 Ų | 51.4 | 46% | 0.455 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -15.8 | -180 | 24.8 | -31.8 | 0 | 0 | 0 | 114.9 | K196 H197 | K196-P229 WeakPolarHBondContact CA-O 3.27Å; K196-P229 HydrophobicContact CD-CB 4.21Å; K196-P229 HydrophobicContact CG-CB 4.14Å; H197-P229 PolarHBondContact CD2-O 3.31Å; H197-P229 VanDerWaalsContact CD2-O 3.25Å; H197-P229 PolarHBondContact N-O 2.98Å; H197-P229 VanDerWaalsContact N-O 3.09Å |
| 230 | Y | 90.6 | Very high | 93.9 | Very high | 83 Ų | 83 | 49.8 Ų | 49.8 | 33% | 0.325 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.2 | 7.5 | -175.9 | -55.5 | -73.8 | 0 | 0 | 0 | 112.8 | C191 Q195 K196 G228 | C191-Y230 PolarHBondContact N-O 2.99Å; Q195-Y230 WeakPolarHBondContact O-CD1 3.47Å; K196-Y230 HydrophobicContact CB-CE1 4.45Å; K196-Y230 HydrophobicContact CG-CE1 3.92Å; G228-Y230 PolarHBondContact O-N 2.93Å |
| 231 | S | 93.3 | Very high | 94 | Very high | 28 Ų | 28 | 48.8 Ų | 48.8 | 20% | 0.196 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 146.9 | -177.5 | 62.1 | 0 | 0 | 0 | 0 | 113.1 | V189 H197 C227 G228 | V189-S231 WeakPolarHBondContact O-CA 3.45Å; V189-S231 VanDerWaalsContact O-CB 3.32Å; V189-S231 WeakPolarHBondContact O-CB 3.4Å; H197-S231 PolarHBondContact CD2-N 2.95Å; H197-S231 PolarHBondContact NE2-O 3.31Å; C227-S231 WeakPolarHBondContact CA-O 3.31Å; C227-S231 PolarHBondContact N-O 2.83Å; G228-S231 PolarHBondContact N-O 2.74Å |
| 232 | F | 95.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 151.8 | 175.8 | 55.1 | -95.4 | 0 | 0 | 0 | 110.2 | V189 H197 L199 I224 K225 I234 V249 | V189-F232 HydrophobicContact CB-CD2 4.15Å; V189-F232 HydrophobicContact CB-CE1 4.42Å; V189-F232 HydrophobicContact CB-CE2 3.68Å; V189-F232 HydrophobicContact CB-CZ 3.82Å; V189-F232 HydrophobicContact CG1-CE1 4.34Å; V189-F232 HydrophobicContact CG1-CE2 4.15Å; V189-F232 HydrophobicContact CG1-CZ 3.79Å; V189-F232 HydrophobicContact CG2-CD2 4.42Å; V189-F232 HydrophobicContact CG2-CE2 3.82Å; V189-F232 HydrophobicContact CG2-CZ 4.31Å; V189-F232 PolarHBondContact N-O 3.35Å; V189-F232 PolarHBondContact O-N 2.65Å; V189-F232 VanDerWaalsContact O-N 3.11Å; H197-F232 AromaticContact CD2-CD1 3.97Å; L199-F232 HydrophobicContact CD1-CD1 4.35Å; L199-F232 HydrophobicContact CD1-CE1 4.02Å; L199-F232 HydrophobicContact CD1-CZ 4.47Å; I224-F232 HydrophobicContact CB-CB 4.34Å; I224-F232 HydrophobicContact CB-CD2 3.73Å; I224-F232 HydrophobicContact CB-CE2 4.4Å; I224-F232 HydrophobicContact CB-CG 4.24Å; I224-F232 HydrophobicContact CD1-CB 4.24Å; I224-F232 HydrophobicContact CD1-CD1 4.34Å; I224-F232 HydrophobicContact CD1-CD2 4.14Å; I224-F232 HydrophobicContact CD1-CG 3.98Å; I224-F232 HydrophobicContact CG1-CD2 4.48Å; I224-F232 HydrophobicContact CG2-CD2 3.67Å; I224-F232 HydrophobicContact CG2-CE2 3.83Å; K225-F232 CarbonylContact O-C 3.03Å; K225-F232 VanDerWaalsContact O-CA 3.25Å; K225-F232 WeakPolarHBondContact O-CA 3.14Å; K225-F232 WeakPolarHBondContact O-CB 3.36Å; F232-I234 HydrophobicContact CD2-CG2 3.9Å; F232-I234 HydrophobicContact CE2-CG2 3.84Å; F232-V249 HydrophobicContact CZ-CB 4.41Å; F232-V249 HydrophobicContact CZ-CG1 3.92Å; F232-V249 HydrophobicContact CZ-CG2 4.1Å |
| 233 | S | 96.5 | Very high | 93.7 | Very high | 14 Ų | 14 | 50.5 Ų | 50.5 | 10% | 0.098 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 149.1 | 175.5 | 66.6 | 0 | 0 | 0 | 0 | 111.6 | G187 I224 K225 C227 | G187-S233 CarbonylContact O-C 3.32Å; G187-S233 WeakPolarHBondContact O-CA 3.15Å; I224-S233 WeakPolarHBondContact CA-O 3.4Å; K225-S233 PolarHBondContact N-O 2.78Å; K225-S233 PolarHBondContact O-N 3.45Å; K225-S233 PolarHBondContact O-OG 3.41Å; C227-S233 PolarHBondContact SG-N 2.96Å; C227-S233 VanDerWaalsContact SG-N 3.45Å |
| 234 | I | 96 | Very high | 93.2 | Very high | 12 Ų | 12 | 51.4 Ų | 51.4 | 6% | 0.062 | 30% | 0.3 | C | S | . | . | trans | -123.5 | -156.6 | 179.8 | 57.6 | 167.8 | 0 | 0 | 0 | 110.5 | P186 G187 V189 F207 L216 V222 I224 F232 T237 | P186-I234 VanDerWaalsContact CB-O 3.24Å; P186-I234 WeakPolarHBondContact CB-O 3.41Å; G187-I234 WeakPolarHBondContact O-CG1 3.43Å; G187-I234 PolarHBondContact O-N 3.23Å; V189-I234 HydrophobicContact CG2-CD1 3.88Å; V189-I234 HydrophobicContact CG2-CG1 4.21Å; V189-I234 HydrophobicContact CG2-CG2 4Å; F207-I234 HydrophobicContact CE2-CD1 4.5Å; F207-I234 HydrophobicContact CE2-CG2 4.48Å; F207-I234 HydrophobicContact CZ-CD1 4.1Å; F207-I234 HydrophobicContact CZ-CG2 4Å; L216-I234 HydrophobicContact CD1-CD1 4.28Å; L216-I234 HydrophobicContact CD2-CD1 3.88Å; V222-I234 HydrophobicContact CG1-CB 4Å; V222-I234 HydrophobicContact CG1-CG2 4.37Å; I224-I234 HydrophobicContact CG2-CG2 4.2Å; F232-I234 HydrophobicContact CD2-CG2 3.9Å; F232-I234 HydrophobicContact CE2-CG2 3.84Å; I234-T237 HydrophobicContact CD1-CG2 3.89Å; I234-T237 HydrophobicContact CG1-CG2 4.26Å | ||
| 235 | C | 93.8 | Very high | 92.4 | Very high | 39 Ų | 39 | 58.3 Ų | 58.3 | 26% | 0.264 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -64.1 | 175.5 | 174.2 | 62.3 | 0 | 0 | 0 | 0 | 113 | G187 V222 T237 | G187-C235 PolarHBondContact N-O 2.85Å; V222-C235 HydrophobicContact CG1-CB 4.27Å; C235-T237 PolarHBondContact O-N 3.12Å |
| 236 | D | 95.5 | Very high | 91.6 | Very high | 60 Ų | 60 | 53.4 Ų | 53.4 | 32% | 0.321 | 31% | 0.312 | S | S | . | . | trans | -63.3 | 121.8 | 171.9 | -174.5 | -6.2 | 0 | 0 | 0 | 110.2 | N185 S238 | N185-D236 HydrophobicContact CB-CB 4.34Å; N185-D236 VanDerWaalsContact ND2-CG 3.31Å; N185-D236 PolarHBondContact ND2-OD2 3.11Å; D236-S238 WeakPolarHBondContact OD1-CB 3.4Å; D236-S238 PolarHBondContact OD1-N 3.03Å; D236-S238 PolarHBondContact OD1-OG 3.33Å; D236-S238 PolarHBondContact OD2-OG 3.49Å | ||
| 237 | T | 95.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | trans | -109.9 | 1.1 | 179.4 | 55.7 | 0 | 0 | 0 | 0 | 112.2 | T182 K183 D184 G187 M213 I234 C235 S239 F240 | T182-T237 PolarHBondContact O-OG1 3.22Å; K183-T237 WeakPolarHBondContact CG-O 3.21Å; D184-T237 PolarHBondContact N-OG1 3.4Å; D184-T237 PolarHBondContact O-N 3.24Å; D184-T237 PolarHBondContact O-OG1 3.44Å; G187-T237 VanDerWaalsContact CA-OG1 3.23Å; G187-T237 WeakPolarHBondContact CA-OG1 3.48Å; M213-T237 HydrophobicContact SD-CG2 4.21Å; I234-T237 HydrophobicContact CD1-CG2 3.89Å; I234-T237 HydrophobicContact CG1-CG2 4.26Å; C235-T237 PolarHBondContact O-N 3.12Å; T237-S239 PolarHBondContact O-N 2.82Å; T237-S239 VanDerWaalsContact O-N 3.12Å; T237-F240 HydrophobicContact CG2-CD2 4.07Å; T237-F240 HydrophobicContact CG2-CE2 4.32Å; T237-F240 WeakPolarHBondContact O-CB 3.49Å; T237-F240 PolarHBondContact O-N 3.08Å | ||
| 238 | S | 93.6 | Very high | 90.9 | Very high | 59 Ų | 59 | 48.2 Ų | 48.2 | 41% | 0.413 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -28.3 | -175.7 | 63.7 | 0 | 0 | 0 | 0 | 113.7 | K183 D236 | K183-S238 WeakPolarHBondContact CE-O 3.3Å; D236-S238 WeakPolarHBondContact OD1-CB 3.4Å; D236-S238 PolarHBondContact OD1-N 3.03Å; D236-S238 PolarHBondContact OD1-OG 3.33Å; D236-S238 PolarHBondContact OD2-OG 3.49Å |
| 239 | S | 93.4 | Very high | 90.9 | Very high | 97 Ų | 97 | 47.2 Ų | 47.2 | 68% | 0.678 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -9.3 | 176.8 | 62.7 | 0 | 0 | 0 | 0 | 114.3 | T237 | T237-S239 PolarHBondContact O-N 2.82Å; T237-S239 VanDerWaalsContact O-N 3.12Å |
| 240 | F | 94.8 | Very high | 91 | Very high | 31 Ų | 31 | 46 Ų | 46 | 14% | 0.136 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -84.4 | 165.5 | -175 | -65.2 | 1.5 | 0 | 0 | 0 | 111.9 | K183 M213 E215 L216 M219 T237 | K183-F240 WeakPolarHBondContact CD-O 3.32Å; K183-F240 WeakPolarHBondContact CE-O 3.49Å; K183-F240 PolarHBondContact NZ-O 3.04Å; M213-F240 HydrophobicContact CE-CB 4.47Å; M213-F240 HydrophobicContact CG-CB 3.85Å; M213-F240 HydrophobicContact CG-CD2 3.99Å; M213-F240 HydrophobicContact CG-CG 4.44Å; M213-F240 HydrophobicContact SD-CB 4.27Å; M213-F240 HydrophobicContact SD-CD2 4.04Å; E215-F240 HydrophobicContact CB-CD1 4.3Å; E215-F240 HydrophobicContact CB-CD2 4.11Å; E215-F240 HydrophobicContact CB-CE1 4.42Å; E215-F240 HydrophobicContact CB-CE2 4.21Å; E215-F240 HydrophobicContact CB-CG 4.17Å; E215-F240 HydrophobicContact CB-CZ 4.37Å; E215-F240 HydrophobicContact CG-CD1 4.37Å; E215-F240 HydrophobicContact CG-CG 4.37Å; L216-F240 HydrophobicContact CD2-CD2 4.35Å; L216-F240 HydrophobicContact CD2-CE2 3.78Å; L216-F240 HydrophobicContact CG-CD2 4.15Å; L216-F240 HydrophobicContact CG-CE2 4.01Å; M219-F240 HydrophobicContact SD-CE2 3.82Å; M219-F240 HydrophobicContact SD-CZ 3.71Å; T237-F240 HydrophobicContact CG2-CD2 4.07Å; T237-F240 HydrophobicContact CG2-CE2 4.32Å; T237-F240 WeakPolarHBondContact O-CB 3.49Å; T237-F240 PolarHBondContact O-N 3.08Å |
| 241 | S | 93.9 | Very high | 91 | Very high | 55 Ų | 55 | 43.8 Ų | 43.8 | 39% | 0.385 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 154.9 | 170.7 | -57.8 | 0 | 0 | 0 | 0 | 111.2 | G212 M213 E215 | G212-S241 WeakPolarHBondContact O-CB 3.41Å; M213-S241 WeakPolarHBondContact CB-O 2.95Å; M213-S241 WeakPolarHBondContact CE-O 3.39Å; M213-S241 VanDerWaalsContact CG-O 3.32Å; M213-S241 WeakPolarHBondContact CG-O 3.44Å; E215-S241 WeakPolarHBondContact OE1-CB 3.33Å; E215-S241 PolarHBondContact OE1-N 3.44Å; E215-S241 PolarHBondContact OE1-OG 2.97Å |
| 242 | S | 91.3 | Very high | 90.9 | Very high | 78 Ų | 78 | 44.4 Ų | 44.4 | 55% | 0.545 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 134.2 | -177.8 | -64.6 | 0 | 0 | 0 | 0 | 110.7 | G212 E244 | G212-S242 CarbonylContact C-O 3.34Å; G212-S242 WeakPolarHBondContact CA-O 3.35Å; S242-E244 PolarHBondContact O-N 3.21Å |
| 243 | H | 90.6 | Very high | 90.4 | Very high | 29 Ų | 29 | 46.8 Ų | 46.8 | 13% | 0.134 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 130.5 | 173.8 | 177.9 | -114.8 | 0 | 0 | 0 | 110.5 | D179 I181 Q211 M213 R245 G246 | D179-H243 PolarHBondContact O-CE1 3.26Å; I181-H243 HydrophobicContact CB-CB 3.99Å; I181-H243 HydrophobicContact CG1-CB 4.48Å; I181-H243 PolarHBondContact N-ND1 3.32Å; Q211-H243 PolarHBondContact O-CD2 2.98Å; M213-H243 HydrophobicContact CB-CB 4.22Å; M213-H243 HydrophobicContact CE-CB 4.23Å; H243-R245 PolarHBondContact NE2-O 3.21Å; H243-G246 PolarHBondContact NE2-O 2.85Å |
| 244 | E | 84.2 | Confident | 89.8 | Confident | 144 Ų | 144 | 49.8 Ų | 49.8 | 67% | 0.673 | 28% | 0.278 | S | S | * | . | trans | -100 | -55.6 | 178.7 | -74.6 | 178.8 | -172.6 | 0 | 0 | 111.1 | Q211 S242 | Q211-E244 PolarHBondContact O-N 3.21Å; S242-E244 PolarHBondContact O-N 3.21Å | ||
| 245 | R | 78.6 | Confident | 89.4 | Confident | 150 Ų | 150 | 52.7 Ų | 52.7 | 57% | 0.566 | 30% | 0.297 | S | S | * | . | B | Isolated β-bridge | trans | -170.2 | 169.1 | -177.9 | 59.7 | -176.6 | 174.9 | -151.3 | -4.2 | 111.5 | Q211 H243 | Q211-R245 HydrophobicContact CB-CG 4.21Å; Q211-R245 WeakPolarHBondContact CB-O 3.42Å; Q211-R245 PolarHBondContact N-O 2.82Å; Q211-R245 VanDerWaalsContact N-O 3.1Å; H243-R245 PolarHBondContact NE2-O 3.21Å |
| 246 | G | 78.7 | Confident | 89.2 | Confident | 29 Ų | 29 | 53.4 Ų | 53.4 | 30% | 0.299 | 30% | 0.298 | S | S | . | . | trans | 66.5 | -176 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | H243 | H243-G246 PolarHBondContact NE2-O 2.85Š| ||
| 247 | G | 85.6 | Confident | 89.2 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | 122.6 | 142.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I178 S208 E209 | I178-G247 PolarHBondContact N-O 3.02Å; S208-G247 CarbonylContact O-C 3.56Å; S208-G247 VanDerWaalsContact O-CA 3.28Å; S208-G247 WeakPolarHBondContact O-CA 3.33Å; E209-G247 PolarHBondContact O-N 3.45Å; E209-G247 VanDerWaalsContact O-N 3.15Å | ||
| 248 | V | 87.5 | Confident | 89.2 | Confident | 13 Ų | 13 | 55.3 Ų | 55.3 | 8% | 0.079 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 135.6 | 174.1 | -175.4 | 0 | 0 | 0 | 0 | 107.9 | S175 L176 M177 F207 S208 | S175-V248 WeakPolarHBondContact OG-CG1 3.35Å; L176-V248 CarbonylContact O-C 3.48Å; L176-V248 VanDerWaalsContact O-CA 3.31Å; L176-V248 WeakPolarHBondContact O-CA 3.26Å; M177-V248 HydrophobicContact CE-CG2 4.25Å; M177-V248 HydrophobicContact SD-CG2 3.75Å; F207-V248 WeakPolarHBondContact CA-O 3.38Å; S208-V248 PolarHBondContact N-O 2.72Å; S208-V248 PolarHBondContact O-N 3.22Å |
| 249 | V | 91.1 | Very high | 89.3 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 127.5 | 171.4 | -178 | 0 | 0 | 0 | 0 | 108.5 | S175 L176 I178 V189 V205 T206 F207 F232 | S175-V249 CarbonylContact C-O 3.55Å; S175-V249 VanDerWaalsContact CA-O 3.3Å; S175-V249 WeakPolarHBondContact CA-O 3.47Å; L176-V249 HydrophobicContact CB-CB 4.5Å; L176-V249 PolarHBondContact N-O 3.09Å; L176-V249 PolarHBondContact O-N 3.32Å; I178-V249 HydrophobicContact CD1-CG2 3.44Å; I178-V249 VanDerWaalsContact CD1-CG2 3.44Å; I178-V249 HydrophobicContact CG1-CG2 3.54Å; V189-V249 HydrophobicContact CG1-CG2 4.3Å; V205-V249 HydrophobicContact CB-CG1 3.44Å; V205-V249 VanDerWaalsContact CB-CG1 3.44Å; V205-V249 HydrophobicContact CG1-CG1 3.71Å; V205-V249 HydrophobicContact CG2-CG1 3.65Å; T206-V249 WeakPolarHBondContact O-CA 3.18Å; F207-V249 HydrophobicContact CD1-CG2 3.75Å; F207-V249 HydrophobicContact CE1-CG2 3.41Å; F207-V249 VanDerWaalsContact CE1-CG2 3.41Å; F207-V249 HydrophobicContact CZ-CG2 4.14Å; F232-V249 HydrophobicContact CZ-CB 4.41Å; F232-V249 HydrophobicContact CZ-CG1 3.92Å; F232-V249 HydrophobicContact CZ-CG2 4.1Å |
| 250 | T | 90.6 | Very high | 89.4 | Confident | 44 Ų | 44 | 52.8 Ų | 52.8 | 27% | 0.27 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 128.6 | 176.6 | -53 | 0 | 0 | 0 | 0 | 110.3 | A174 V205 T206 | A174-T250 CarbonylContact O-C 3.39Å; A174-T250 WeakPolarHBondContact O-CA 3.24Å; V205-T250 CarbonylContact C-O 3.54Å; V205-T250 WeakPolarHBondContact CA-O 3Å; T206-T250 PolarHBondContact N-O 3.09Å; T206-T250 PolarHBondContact O-N 3.35Å |
| 251 | E | 91.7 | Very high | 89.5 | Confident | 36 Ų | 36 | 55.9 Ų | 55.9 | 17% | 0.168 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 141.2 | 172.3 | -178.1 | -169.7 | -178.9 | 0 | 0 | 111 | P173 A174 L199 T203 K253 | P173-E251 WeakPolarHBondContact CA-OE2 3.27Å; P173-E251 HydrophobicContact CB-CB 4.08Å; P173-E251 VanDerWaalsContact CB-O 3.31Å; P173-E251 WeakPolarHBondContact CB-O 3.25Å; A174-E251 HydrophobicContact CB-CB 4.27Å; A174-E251 PolarHBondContact N-OE2 3.34Å; A174-E251 PolarHBondContact O-N 3.21Å; L199-E251 HydrophobicContact CD2-CB 4.38Å; T203-E251 HydrophobicContact CG2-CG 3.81Å; E251-K253 WeakPolarHBondContact OE1-CD 3.43Å; E251-K253 WeakPolarHBondContact OE1-CE 3.17Å; E251-K253 IonicContact OE1-NZ 2.79Å; E251-K253 PolarHBondContact OE1-NZ 3.39Å; E251-K253 IonicContact OE2-NZ 3.3Å; E251-K253 PolarHBondContact OE2-NZ 2.92Å |
| 252 | V | 90.1 | Very high | 89.6 | Confident | 42 Ų | 42 | 54.1 Ų | 54.1 | 26% | 0.255 | 29% | 0.286 | S | S | . | . | trans | -115 | 104.5 | 171.8 | -175.8 | 0 | 0 | 0 | 0 | 109.2 | K204 T206 P221 Q254 | K204-V252 PolarHBondContact O-N 2.92Å; T206-V252 HydrophobicContact CG2-CG2 3.73Å; P221-V252 HydrophobicContact CB-CB 4.33Å; P221-V252 HydrophobicContact CB-CG2 4.1Å; P221-V252 HydrophobicContact CG-CB 4.45Å; P221-V252 HydrophobicContact CG-CG1 4.26Å; P221-V252 HydrophobicContact CG-CG2 4.06Å; V252-Q254 PolarHBondContact O-N 2.83Å; V252-Q254 PolarHBondContact O-NE2 3.27Å | ||
| 253 | K | 85.8 | Confident | 89.7 | Confident | 49 Ų | 49 | 50.4 Ų | 50.4 | 21% | 0.213 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 124.4 | 174.4 | -63.9 | -66.7 | -174.7 | -170.7 | 0 | 109.5 | D169 P173 E251 | D169-K253 IonicContact OD1-NZ 3.96Å; D169-K253 PolarHBondContact OD1-NZ 3.36Å; D169-K253 IonicContact OD2-NZ 2.84Å; D169-K253 PolarHBondContact OD2-NZ 3.01Å; P173-K253 HydrophobicContact CG-CG 4.31Å; E251-K253 WeakPolarHBondContact OE1-CD 3.43Å; E251-K253 WeakPolarHBondContact OE1-CE 3.17Å; E251-K253 IonicContact OE1-NZ 2.79Å; E251-K253 PolarHBondContact OE1-NZ 3.39Å; E251-K253 IonicContact OE2-NZ 3.3Å; E251-K253 PolarHBondContact OE2-NZ 2.92Å |
| 254 | Q | 83.9 | Confident | 89.8 | Confident | 78 Ų | 78 | 50.4 Ų | 50.4 | 36% | 0.364 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -93.1 | 137.1 | 178 | -60.8 | -64.2 | -79.2 | 0 | 0 | 109.7 | K204 V252 | K204-Q254 HydrophobicContact CD-CG 4.41Å; V252-Q254 PolarHBondContact O-N 2.83Å; V252-Q254 PolarHBondContact O-NE2 3.27Å |
| 255 | P | 87.6 | Confident | 90.3 | Very high | 73 Ų | 73 | 50.4 Ų | 50.4 | 47% | 0.474 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 147.8 | 173.2 | 28.3 | -33.2 | 0 | 0 | 0 | 110.5 | E164 V165 L166 | E164-P255 HydrophobicContact CG-CB 4.16Å; V165-P255 CarbonylContact O-C 3.57Å; V165-P255 WeakPolarHBondContact O-CA 3.47Å; L166-P255 HydrophobicContact CD2-CB 4.45Å |
| 256 | L | 90.3 | Very high | 91 | Very high | 53 Ų | 53 | 43.3 Ų | 43.3 | 28% | 0.277 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 124.7 | 177.8 | 172.5 | 66.2 | 0 | 0 | 0 | 109.1 | V165 R168 L258 | V165-L256 HydrophobicContact CB-CB 4.29Å; V165-L256 WeakPolarHBondContact CB-O 3.49Å; V165-L256 PolarHBondContact N-O 3.38Å; V165-L256 PolarHBondContact O-N 2.94Å; R168-L256 HydrophobicContact CG-CB 4.32Å; R168-L256 HydrophobicContact CG-CD2 4.46Å; L256-L258 HydrophobicContact CD1-CD2 4.41Å; L256-L258 HydrophobicContact CD2-CD2 3.75Å; L256-L258 HydrophobicContact CD2-CG 4.27Å; L256-L258 HydrophobicContact CG-CD2 3.89Å; L256-L258 HydrophobicContact CG-CG 4.23Å |
| 257 | T | 95 | Very high | 91.6 | Very high | 80 Ų | 80 | 42.4 Ų | 42.4 | 49% | 0.491 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 126.5 | 171 | -52.6 | 0 | 0 | 0 | 0 | 110.2 | Q162 F163 | Q162-T257 HydrophobicContact CB-CG2 4.3Å; F163-T257 CarbonylContact O-C 3.52Å; F163-T257 WeakPolarHBondContact O-CA 3.44Å |
| 258 | L | 95 | Very high | 91.6 | Very high | 21 Ų | 21 | 50.2 Ų | 50.2 | 11% | 0.11 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 147.3 | 176.4 | -62.9 | 179.6 | 0 | 0 | 0 | 110.6 | F163 V165 L256 F260 P373 | F163-L258 PolarHBondContact N-O 3.32Å; F163-L258 PolarHBondContact O-N 3.35Å; V165-L258 HydrophobicContact CG2-CD1 3.82Å; V165-L258 HydrophobicContact CG2-CG 4.25Å; L256-L258 HydrophobicContact CD1-CD2 4.41Å; L256-L258 HydrophobicContact CD2-CD2 3.75Å; L256-L258 HydrophobicContact CD2-CG 4.27Å; L256-L258 HydrophobicContact CG-CD2 3.89Å; L256-L258 HydrophobicContact CG-CG 4.23Å; L258-F260 HydrophobicContact CB-CD2 4.48Å; L258-F260 HydrophobicContact CB-CE2 3.72Å; L258-F260 HydrophobicContact CB-CZ 4.37Å; L258-F260 HydrophobicContact CD1-CE2 4.44Å; L258-F260 HydrophobicContact CD1-CZ 4.35Å; L258-P373 HydrophobicContact CD1-CG 4.36Å |
| 259 | N | 95.9 | Very high | 91.3 | Very high | 99 Ų | 99 | 52 Ų | 52 | 53% | 0.529 | 27% | 0.266 | S | S | . | . | trans | -118.8 | 126.3 | 178.2 | -46 | -43.4 | 0 | 0 | 0 | 109.3 | D161 Q375 | D161-N259 WeakPolarHBondContact O-CB 3.32Å; D161-N259 VanDerWaalsContact O-CG 3.29Å; D161-N259 PolarHBondContact O-OD1 3.1Å; N259-Q375 PolarHBondContact O-NE2 3.01Å | ||
| 260 | F | 96.1 | Very high | 90.3 | Very high | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -103.6 | 142.6 | -178.3 | -70.2 | -100.3 | 0 | 0 | 0 | 110.4 | H137 C157 D158 F159 G160 F163 L258 P373 L374 Q375 Q376 | H137-F260 PolarHBondContact CE1-O 3.46Å; H137-F260 VanDerWaalsContact CE1-O 3.3Å; C157-F260 HydrophobicContact CB-CE1 4.5Å; C157-F260 WeakPolarHBondContact O-CD1 3.36Å; D158-F260 WeakPolarHBondContact OD1-CB 3.37Å; F159-F260 HydrophobicContact CB-CD2 3.78Å; F159-F260 HydrophobicContact CB-CE2 3.78Å; F159-F260 HydrophobicContact CB-CG 4.22Å; F159-F260 HydrophobicContact CB-CZ 4.19Å; F159-F260 HydrophobicContact CD2-CE2 4.35Å; F159-F260 HydrophobicContact CD2-CZ 4.09Å; F159-F260 HydrophobicContact CG-CE2 4.36Å; F159-F260 HydrophobicContact CG-CZ 4.29Å; F159-F260 VanDerWaalsContact N-CG 3.35Å; G160-F260 WeakPolarHBondContact O-CB 3.47Å; G160-F260 PolarHBondContact O-N 3.45Å; F163-F260 HydrophobicContact CB-CD2 4.29Å; F163-F260 HydrophobicContact CB-CE2 3.96Å; F163-F260 HydrophobicContact CD1-CE2 4.43Å; F163-F260 HydrophobicContact CG-CE2 4.41Å; L258-F260 HydrophobicContact CB-CD2 4.48Å; L258-F260 HydrophobicContact CB-CE2 3.72Å; L258-F260 HydrophobicContact CB-CZ 4.37Å; L258-F260 HydrophobicContact CD1-CE2 4.44Å; L258-F260 HydrophobicContact CD1-CZ 4.35Å; F260-P373 HydrophobicContact CE1-CB 4.44Å; F260-P373 HydrophobicContact CZ-CB 3.89Å; F260-P373 HydrophobicContact CZ-CG 4.24Å; F260-L374 WeakPolarHBondContact CE1-O 3.48Å; F260-Q375 HydrophobicContact CD1-CG 4.34Å; F260-Q375 HydrophobicContact CE1-CB 4.19Å; F260-Q375 HydrophobicContact CE1-CG 4.04Å; F260-Q375 HydrophobicContact CZ-CG 4.49Å; F260-Q376 HydrophobicContact CD1-CG 3.97Å; F260-Q376 HydrophobicContact CE1-CG 4.5Å |
| 261 | K | 95.6 | Very high | 89.2 | Confident | 95 Ų | 95 | 60.3 Ų | 60.3 | 41% | 0.413 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -83.7 | 141.6 | 171.4 | -56.3 | 172.7 | -175.9 | 172.7 | 0 | 108.9 | K265 A266 D269 Q376 | K261-K265 HydrophobicContact CB-CB 4.32Å; K261-A266 HydrophobicContact CB-CB 4.23Å; K261-D269 IonicContact NZ-OD2 3.78Å; K261-D269 PolarHBondContact NZ-OD2 3.04Å; K261-Q376 VanDerWaalsContact CB-OE1 3.25Å; K261-Q376 PolarHBondContact O-NE2 2.89Å |
| 262 | P | 96.1 | Very high | 88.3 | Confident | 19 Ų | 19 | 59.1 Ų | 59.1 | 12% | 0.123 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 148.5 | 169.6 | 26.2 | -33.7 | 0 | 0 | 0 | 110.6 | H137 D158 S264 K265 A266 | H137-P262 HydrophobicContact CB-CB 4.3Å; D158-P262 WeakPolarHBondContact OD2-CA 3.36Å; P262-S264 VanDerWaalsContact C-N 3.28Å; P262-S264 PolarHBondContact O-N 3.39Å; P262-S264 VanDerWaalsContact O-N 3.12Å; P262-K265 HydrophobicContact CG-CB 4.25Å; P262-K265 HydrophobicContact CG-CD 3.85Å; P262-K265 HydrophobicContact CG-CG 4.02Å; P262-K265 WeakPolarHBondContact O-CA 3.49Å; P262-K265 WeakPolarHBondContact O-CB 3.46Å; P262-K265 PolarHBondContact O-N 3.06Å; P262-A266 PolarHBondContact O-N 2.98Å |
| 263 | L | 94.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -49 | -44.8 | -173.1 | -175.1 | 149 | 0 | 0 | 0 | 113.3 | Q129 K130 F143 V145 F156 K265 A266 L267 | Q129-L263 HydrophobicContact CB-CD1 4Å; K130-L263 HydrophobicContact CB-CD2 4.37Å; K130-L263 HydrophobicContact CG-CD2 3.5Å; K130-L263 VanDerWaalsContact CG-CD2 3.5Å; F143-L263 HydrophobicContact CE1-CD1 3.89Å; V145-L263 HydrophobicContact CG2-CD1 3.99Å; F156-L263 HydrophobicContact CD1-CD1 3.96Å; F156-L263 HydrophobicContact CD1-CG 4.48Å; F156-L263 HydrophobicContact CE1-CB 3.8Å; F156-L263 HydrophobicContact CE1-CD1 3.98Å; F156-L263 HydrophobicContact CE1-CG 4.13Å; F156-L263 HydrophobicContact CZ-CB 4.06Å; F156-L263 HydrophobicContact CZ-CG 4.5Å; L263-K265 PolarHBondContact O-N 3.11Å; L263-A266 PolarHBondContact O-N 3.28Å; L263-A266 VanDerWaalsContact O-N 3.16Å; L263-L267 HydrophobicContact CD2-CD1 3.43Å; L263-L267 VanDerWaalsContact CD2-CD1 3.43Å; L263-L267 HydrophobicContact CD2-CG 3.94Å; L263-L267 HydrophobicContact CG-CD1 4.38Å; L263-L267 HydrophobicContact CG-CG 4.39Å; L263-L267 WeakPolarHBondContact O-CB 3.44Å; L263-L267 WeakPolarHBondContact O-CG 3.45Å; L263-L267 PolarHBondContact O-N 2.87Å |
| 264 | S | 92.9 | Very high | 86.3 | Confident | 28 Ų | 28 | 61.9 Ų | 61.9 | 20% | 0.196 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61 | -28.1 | 178.9 | -66.5 | 0 | 0 | 0 | 0 | 114.4 | E134 P262 | E134-S264 VanDerWaalsContact OE1-CB 3.25Å; E134-S264 WeakPolarHBondContact OE1-CB 3.08Å; E134-S264 PolarHBondContact OE1-OG 3.11Å; P262-S264 VanDerWaalsContact C-N 3.28Å; P262-S264 PolarHBondContact O-N 3.39Å; P262-S264 VanDerWaalsContact O-N 3.12Å |
| 265 | K | 93.4 | Very high | 85.5 | Confident | 144 Ų | 144 | 59 Ų | 59 | 63% | 0.626 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -85.4 | -42.5 | 172.6 | -68 | -176.3 | -173.6 | 170.8 | 0 | 110.9 | K261 P262 L263 L267 K268 | K261-K265 HydrophobicContact CB-CB 4.32Å; P262-K265 HydrophobicContact CG-CB 4.25Å; P262-K265 HydrophobicContact CG-CD 3.85Å; P262-K265 HydrophobicContact CG-CG 4.02Å; P262-K265 WeakPolarHBondContact O-CA 3.49Å; P262-K265 WeakPolarHBondContact O-CB 3.46Å; P262-K265 PolarHBondContact O-N 3.06Å; L263-K265 PolarHBondContact O-N 3.11Å; K265-L267 VanDerWaalsContact C-N 3.29Å; K265-L267 PolarHBondContact O-N 3.13Å; K265-K268 PolarHBondContact O-N 3.42Å; K265-K268 VanDerWaalsContact O-N 3.15Å |
| 266 | A | 92.9 | Very high | 84.4 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.008 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.1 | -29.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | F156 K261 P262 L263 K268 D269 W377 | F156-A266 HydrophobicContact CE2-CB 3.56Å; F156-A266 HydrophobicContact CZ-CB 3.96Å; K261-A266 HydrophobicContact CB-CB 4.23Å; P262-A266 PolarHBondContact O-N 2.98Å; L263-A266 PolarHBondContact O-N 3.28Å; L263-A266 VanDerWaalsContact O-N 3.16Å; A266-K268 PolarHBondContact O-N 2.82Å; A266-D269 VanDerWaalsContact O-CB 3.27Å; A266-D269 WeakPolarHBondContact O-CB 3.38Å; A266-D269 PolarHBondContact O-N 2.83Å; A266-D269 VanDerWaalsContact O-N 3.09Å; A266-W377 PolarHBondContact O-NE1 2.83Å |
| 267 | L | 91.1 | Very high | 83.3 | Confident | 10 Ų | 10 | 58.8 Ų | 58.8 | 5% | 0.052 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -20.9 | 174.4 | -80.1 | 173.2 | 0 | 0 | 0 | 114.3 | L126 K130 L263 K265 D269 H288 Q292 W377 | L126-L267 HydrophobicContact CD1-CD1 3.86Å; K130-L267 HydrophobicContact CG-CD1 4.39Å; L263-L267 HydrophobicContact CD2-CD1 3.43Å; L263-L267 VanDerWaalsContact CD2-CD1 3.43Å; L263-L267 HydrophobicContact CD2-CG 3.94Å; L263-L267 HydrophobicContact CG-CD1 4.38Å; L263-L267 HydrophobicContact CG-CG 4.39Å; L263-L267 WeakPolarHBondContact O-CB 3.44Å; L263-L267 WeakPolarHBondContact O-CG 3.45Å; L263-L267 PolarHBondContact O-N 2.87Å; K265-L267 VanDerWaalsContact C-N 3.29Å; K265-L267 PolarHBondContact O-N 3.13Å; L267-D269 VanDerWaalsContact C-N 3.31Å; L267-H288 PolarHBondContact O-NE2 2.85Å; L267-Q292 HydrophobicContact CD2-CG 4.17Å; L267-W377 HydrophobicContact CD2-CH2 4.06Å; L267-W377 HydrophobicContact CD2-CZ2 3.62Å; L267-W377 HydrophobicContact CG-CZ2 4.14Å |
| 268 | K | 87.4 | Confident | 82 | Confident | 164 Ų | 164 | 63 Ų | 63 | 71% | 0.713 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -3.6 | 175.7 | -57.7 | -178.8 | -176.5 | -178.8 | 0 | 111.7 | K265 A266 H270 | K265-K268 PolarHBondContact O-N 3.42Å; K265-K268 VanDerWaalsContact O-N 3.15Å; A266-K268 PolarHBondContact O-N 2.82Å; K268-H270 PolarHBondContact O-N 3.39Å |
| 269 | D | 80 | Confident | 80.9 | Confident | 51 Ų | 51 | 65.4 Ų | 65.4 | 27% | 0.273 | 33% | 0.331 | S | S | . | . | trans | -87.8 | 104.9 | 177.2 | -162 | -14.7 | 0 | 0 | 0 | 108.5 | K261 A266 L267 Q271 | K261-D269 IonicContact NZ-OD2 3.78Å; K261-D269 PolarHBondContact NZ-OD2 3.04Å; A266-D269 VanDerWaalsContact O-CB 3.27Å; A266-D269 WeakPolarHBondContact O-CB 3.38Å; A266-D269 PolarHBondContact O-N 2.83Å; A266-D269 VanDerWaalsContact O-N 3.09Å; L267-D269 VanDerWaalsContact C-N 3.31Å; D269-Q271 PolarHBondContact O-N 3.24Å; D269-Q271 PolarHBondContact OD1-N 2.89Å | ||
| 270 | H | 70.1 | Confident | 80.4 | Confident | 54 Ų | 54 | 60.9 Ų | 60.9 | 25% | 0.25 | 31% | 0.307 | C | S | . | . | trans | -87.5 | 11.8 | -176 | -57 | -50.6 | 0 | 0 | 0 | 113.1 | K268 P272 H288 L329 | K268-H270 PolarHBondContact O-N 3.39Å; H270-P272 VanDerWaalsContact C-CD 3.45Å; H270-P272 VanDerWaalsContact O-CD 3.24Å; H270-P272 WeakPolarHBondContact O-CD 3.4Å; H270-H288 AromaticContact ND1-CD2 3.98Å; H270-H288 AromaticContact ND1-NE2 3.96Å; H270-L329 HydrophobicContact CB-CD2 4.41Å | ||
| 271 | Q | 68.1 | Low | 79.7 | Confident | 165 Ų | 165 | 64.2 Ų | 64.2 | 77% | 0.771 | 32% | 0.324 | S | S | * | . | trans | -111.1 | 78.5 | 171.2 | -63.9 | -162.7 | -14.9 | 0 | 0 | 110.1 | D269 | D269-Q271 PolarHBondContact O-N 3.24Å; D269-Q271 PolarHBondContact OD1-N 2.89Å | ||
| 272 | P | 72.3 | Confident | 79.2 | Confident | 12 Ų | 12 | 61.5 Ų | 61.5 | 8% | 0.078 | 32% | 0.317 | C | S | . | . | trans | -61.5 | 165.2 | 172.3 | 29.7 | -35.2 | 0 | 0 | 0 | 110.5 | H270 I274 N285 W377 Y379 | H270-P272 VanDerWaalsContact C-CD 3.45Å; H270-P272 VanDerWaalsContact O-CD 3.24Å; H270-P272 WeakPolarHBondContact O-CD 3.4Å; P272-I274 PolarHBondContact O-N 3.18Å; P272-N285 WeakPolarHBondContact CD-OD1 3.4Å; P272-N285 WeakPolarHBondContact CG-OD1 3.35Å; P272-W377 HydrophobicContact CB-CB 4.1Å; P272-Y379 HydrophobicContact CB-CD2 4.22Å; P272-Y379 HydrophobicContact CB-CE2 4.27Å | ||
| 273 | L | 69.5 | Low | 78.9 | Confident | 50 Ų | 50 | 63 Ų | 63 | 26% | 0.262 | 32% | 0.321 | S | S | . | . | trans | -62 | 117.2 | 174.8 | -170.8 | 95.9 | 0 | 0 | 0 | 109 | L275 L374 W377 Q893 | L273-L275 HydrophobicContact CD2-CD1 3.99Å; L273-L275 HydrophobicContact CD2-CD2 3.66Å; L273-L275 HydrophobicContact CD2-CG 3.67Å; L273-L275 HydrophobicContact CG-CG 4.5Å; L273-L275 PolarHBondContact O-N 3.38Å; L273-L374 HydrophobicContact CD2-CD1 3.78Å; L273-W377 WeakPolarHBondContact CB-O 3.42Å; L273-W377 PolarHBondContact N-O 2.91Å; L273-Q893 VanDerWaalsContact CD1-OE1 3.24Å; L273-Q893 HydrophobicContact CD2-CB 4.19Å | ||
| 274 | I | 64.6 | Low | 78.7 | Confident | 99 Ų | 99 | 63.8 Ų | 63.8 | 51% | 0.508 | 32% | 0.324 | S | S | . | . | trans | -87 | 104.4 | 176.9 | -57.5 | 175.3 | 0 | 0 | 0 | 108 | P272 I281 | P272-I274 PolarHBondContact O-N 3.18Å; I274-I281 HydrophobicContact CD1-CG2 3.83Å; I274-I281 HydrophobicContact CG1-CG2 4.16Å; I274-I281 HydrophobicContact CG2-CB 4.33Å; I274-I281 HydrophobicContact CG2-CD1 3.69Å; I274-I281 HydrophobicContact CG2-CG1 3.69Å; I274-I281 HydrophobicContact CG2-CG2 3.78Å | ||
| 275 | L | 66.2 | Low | 78.6 | Confident | 18 Ų | 18 | 64 Ų | 64 | 9% | 0.094 | 32% | 0.323 | C | S | . | . | trans | -86.6 | 155.3 | 167.7 | -67 | 165.5 | 0 | 0 | 0 | 109.6 | L273 D277 F378 Q893 F895 | L273-L275 HydrophobicContact CD2-CD1 3.99Å; L273-L275 HydrophobicContact CD2-CD2 3.66Å; L273-L275 HydrophobicContact CD2-CG 3.67Å; L273-L275 HydrophobicContact CG-CG 4.5Å; L273-L275 PolarHBondContact O-N 3.38Å; L275-D277 PolarHBondContact O-N 3.2Å; L275-F378 HydrophobicContact CD1-CD2 3.36Å; L275-F378 HydrophobicContact CD1-CE2 3.34Å; L275-F378 HydrophobicContact CD1-CZ 4.49Å; L275-Q893 VanDerWaalsContact CD2-O 3.23Å; L275-Q893 WeakPolarHBondContact CD2-O 3.21Å; L275-F895 HydrophobicContact CB-CB 4.29Å; L275-F895 HydrophobicContact CD1-CB 3.91Å; L275-F895 HydrophobicContact CD2-CB 4.44Å; L275-F895 HydrophobicContact CG-CB 4.44Å | ||
| 276 | N | 64.5 | Low | 78.6 | Confident | 116 Ų | 116 | 57.2 Ų | 57.2 | 62% | 0.62 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 79.1 | -178.2 | -89 | -23.6 | 0 | 0 | 0 | 110.6 | F895 V896 L897 | N276-F895 PolarHBondContact N-O 3.15Å; N276-V896 HydrophobicContact CB-CG2 3.97Å; N276-V896 WeakPolarHBondContact O-CA 3.48Å; N276-L897 PolarHBondContact O-N 3.32Å |
| 277 | D | 67.4 | Low | 78.6 | Confident | 5 Ų | 5 | 57.2 Ų | 57.2 | 3% | 0.027 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 108.4 | 174 | -163.1 | -22.7 | 0 | 0 | 0 | 108.9 | L275 G279 K280 H284 L897 | L275-D277 PolarHBondContact O-N 3.2Å; D277-G279 PolarHBondContact O-N 2.87Å; D277-K280 HydrophobicContact CB-CB 4.11Å; D277-K280 PolarHBondContact O-N 3.41Å; D277-K280 VanDerWaalsContact O-N 3.08Å; D277-K280 WeakPolarHBondContact OD1-CD 3.03Å; D277-K280 WeakPolarHBondContact OD1-CG 3.49Å; D277-H284 IonicContact OD2-CE1 3.5Å; D277-H284 PolarHBondContact OD2-CE1 3.24Å; D277-H284 IonicContact OD2-NE2 2.73Å; D277-L897 WeakPolarHBondContact OD2-CD1 3.41Å |
| 278 | Y | 68.4 | Low | 78.8 | Confident | 167 Ų | 167 | 56.9 Ų | 56.9 | 66% | 0.655 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 105.2 | -169.6 | -172.9 | -90.9 | 0 | 0 | 0 | 111.7 | L897 | Y278-L897 WeakPolarHBondContact CB-O 3.3Š|
| 279 | G | 72.3 | Confident | 79.2 | Confident | 72 Ų | 72 | 49.1 Ų | 49.1 | 74% | 0.742 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | 9.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | D277 | D277-G279 PolarHBondContact O-N 2.87Š|
| 280 | K | 84.3 | Confident | 80 | Confident | 5 Ų | 5 | 46.7 Ų | 46.7 | 2% | 0.022 | 25% | 0.245 | C | C | . | . | trans | -108.2 | 2.7 | -175 | -59.1 | -158 | -172.4 | -166.1 | 0 | 116.3 | D277 S282 R283 H284 D381 E384 | D277-K280 HydrophobicContact CB-CB 4.11Å; D277-K280 PolarHBondContact O-N 3.41Å; D277-K280 VanDerWaalsContact O-N 3.08Å; D277-K280 WeakPolarHBondContact OD1-CD 3.03Å; D277-K280 WeakPolarHBondContact OD1-CG 3.49Å; K280-S282 PolarHBondContact O-N 3Å; K280-R283 WeakPolarHBondContact O-CB 3.37Å; K280-R283 PolarHBondContact O-N 3.09Å; K280-R283 VanDerWaalsContact O-N 3.1Å; K280-H284 PolarHBondContact O-N 3.11Å; K280-H284 VanDerWaalsContact O-N 3.08Å; K280-D381 WeakPolarHBondContact CD-OD2 3.43Å; K280-D381 PolarHBondContact NZ-O 2.83Å; K280-D381 IonicContact NZ-OD1 3.74Å; K280-D381 PolarHBondContact NZ-OD1 3.27Å; K280-D381 IonicContact NZ-OD2 2.6Å; K280-E384 WeakPolarHBondContact CE-OE1 3.42Å; K280-E384 VanDerWaalsContact NZ-CD 3.26Å; K280-E384 IonicContact NZ-OE1 3.68Å; K280-E384 PolarHBondContact NZ-OE1 3.38Å; K280-E384 IonicContact NZ-OE2 3.81Å; K280-E384 PolarHBondContact NZ-OE2 3.48Å | ||
| 281 | I | 81.9 | Confident | 81.3 | Confident | 73 Ų | 73 | 44.3 Ų | 44.3 | 37% | 0.374 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -56.7 | -48.8 | -172.8 | -60.1 | 175.5 | 0 | 0 | 0 | 112.1 | I274 R283 H284 N285 | I274-I281 HydrophobicContact CD1-CG2 3.83Å; I274-I281 HydrophobicContact CG1-CG2 4.16Å; I274-I281 HydrophobicContact CG2-CB 4.33Å; I274-I281 HydrophobicContact CG2-CD1 3.69Å; I274-I281 HydrophobicContact CG2-CG1 3.69Å; I274-I281 HydrophobicContact CG2-CG2 3.78Å; I281-R283 VanDerWaalsContact C-N 3.29Å; I281-R283 PolarHBondContact O-N 2.91Å; I281-H284 PolarHBondContact O-N 3.32Å; I281-N285 PolarHBondContact O-N 3.27Å |
| 282 | S | 85.9 | Confident | 82.7 | Confident | 39 Ų | 39 | 37.6 Ų | 37.6 | 27% | 0.273 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63.9 | -34.2 | 179.1 | 52 | 0 | 0 | 0 | 0 | 112.7 | K280 N285 T286 | K280-S282 PolarHBondContact O-N 3Å; S282-N285 PolarHBondContact O-N 3.39Å; S282-T286 PolarHBondContact O-N 2.9Å; S282-T286 PolarHBondContact O-OG1 3.37Å; S282-T286 VanDerWaalsContact O-OG1 3.08Å |
| 283 | R | 89.9 | Confident | 83.9 | Confident | 50 Ų | 50 | 37 Ų | 37 | 19% | 0.189 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.5 | -40.6 | 175.4 | -171.6 | -174.7 | -67.3 | 157.5 | 8.3 | 112.1 | K280 I281 N285 T286 L287 D333 A336 D381 E384 | K280-R283 WeakPolarHBondContact O-CB 3.37Å; K280-R283 PolarHBondContact O-N 3.09Å; K280-R283 VanDerWaalsContact O-N 3.1Å; I281-R283 VanDerWaalsContact C-N 3.29Å; I281-R283 PolarHBondContact O-N 2.91Å; R283-N285 VanDerWaalsContact C-N 3.32Å; R283-N285 PolarHBondContact O-N 2.87Å; R283-T286 CarbonylContact O-C 3.59Å; R283-T286 WeakPolarHBondContact O-CA 3.36Å; R283-T286 VanDerWaalsContact O-CB 3.29Å; R283-T286 WeakPolarHBondContact O-CB 3.5Å; R283-T286 PolarHBondContact O-N 3.48Å; R283-T286 VanDerWaalsContact O-N 3.09Å; R283-L287 WeakPolarHBondContact O-CG 3.2Å; R283-L287 PolarHBondContact O-N 3.06Å; R283-D333 HydrophobicContact CB-CB 4.48Å; R283-D333 HydrophobicContact CG-CB 4.4Å; R283-D333 IonicContact CZ-OD2 2.73Å; R283-D333 IonicContact NE-OD2 3.27Å; R283-D333 PolarHBondContact NE-OD2 2.9Å; R283-D333 IonicContact NH2-OD2 3.33Å; R283-A336 HydrophobicContact CG-CB 3.86Å; R283-D381 WeakPolarHBondContact CD-OD2 3.46Å; R283-D381 IonicContact NH1-OD1 3.95Å; R283-D381 PolarHBondContact NH1-OD1 3.14Å; R283-D381 IonicContact NH1-OD2 2.81Å; R283-D381 PolarHBondContact NH1-OD2 2.9Å; R283-E384 IonicContact NH1-OE1 2.69Å |
| 284 | H | 89.2 | Confident | 85.3 | Confident | 16 Ų | 16 | 35 Ų | 35 | 7% | 0.074 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.9 | -37.3 | 177.5 | -65.4 | 166.1 | 0 | 0 | 0 | 112.4 | D277 K280 I281 T286 L287 H288 D381 | D277-H284 IonicContact OD2-CE1 3.5Å; D277-H284 PolarHBondContact OD2-CE1 3.24Å; D277-H284 IonicContact OD2-NE2 2.73Å; K280-H284 PolarHBondContact O-N 3.11Å; K280-H284 VanDerWaalsContact O-N 3.08Å; I281-H284 PolarHBondContact O-N 3.32Å; H284-T286 VanDerWaalsContact C-N 3.33Å; H284-L287 PolarHBondContact O-N 2.74Å; H284-H288 PolarHBondContact O-N 3.03Å; H284-H288 VanDerWaalsContact O-N 3.15Å; H284-D381 IonicContact NE2-OD2 3.72Å |
| 285 | N | 90.1 | Very high | 86.9 | Confident | 34 Ų | 34 | 31.9 Ų | 31.9 | 18% | 0.182 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.9 | -40.3 | 171.3 | -64.6 | -20.7 | 0 | 0 | 0 | 111.5 | P272 I281 S282 R283 L287 H288 L329 | P272-N285 WeakPolarHBondContact CD-OD1 3.4Å; P272-N285 WeakPolarHBondContact CG-OD1 3.35Å; I281-N285 PolarHBondContact O-N 3.27Å; S282-N285 PolarHBondContact O-N 3.39Å; R283-N285 VanDerWaalsContact C-N 3.32Å; R283-N285 PolarHBondContact O-N 2.87Å; N285-L287 PolarHBondContact O-N 2.68Å; N285-H288 WeakPolarHBondContact O-CB 3.49Å; N285-H288 PolarHBondContact O-N 3.27Å; N285-L329 HydrophobicContact CB-CD1 3.99Å; N285-L329 HydrophobicContact CB-CD2 4.21Å |
| 286 | T | 93.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.2 | -42.7 | 174 | -61 | 0 | 0 | 0 | 0 | 111.7 | S282 R283 H284 H288 L289 A290 L332 D333 V337 | S282-T286 PolarHBondContact O-N 2.9Å; S282-T286 PolarHBondContact O-OG1 3.37Å; S282-T286 VanDerWaalsContact O-OG1 3.08Å; R283-T286 CarbonylContact O-C 3.59Å; R283-T286 WeakPolarHBondContact O-CA 3.36Å; R283-T286 VanDerWaalsContact O-CB 3.29Å; R283-T286 WeakPolarHBondContact O-CB 3.5Å; R283-T286 PolarHBondContact O-N 3.48Å; R283-T286 VanDerWaalsContact O-N 3.09Å; H284-T286 VanDerWaalsContact C-N 3.33Å; T286-H288 VanDerWaalsContact C-N 3.3Å; T286-H288 PolarHBondContact O-N 3.24Å; T286-L289 PolarHBondContact O-N 3.27Å; T286-L289 VanDerWaalsContact O-N 3.11Å; T286-A290 PolarHBondContact O-N 2.82Å; T286-L332 HydrophobicContact CG2-CD1 3.71Å; T286-L332 HydrophobicContact CG2-CG 4.17Å; T286-D333 HydrophobicContact CG2-CB 4.3Å; T286-D333 PolarHBondContact OG1-N 3.48Å; T286-V337 HydrophobicContact CG2-CG2 3.47Å; T286-V337 VanDerWaalsContact CG2-CG2 3.47Å |
| 287 | L | 94.8 | Very high | 90 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.2 | -34.4 | 178.8 | -71.1 | 176.1 | 0 | 0 | 0 | 112.5 | C152 R283 H284 N285 L289 A290 F291 Y379 D381 | C152-L287 HydrophobicContact CB-CD2 4.32Å; R283-L287 WeakPolarHBondContact O-CG 3.2Å; R283-L287 PolarHBondContact O-N 3.06Å; H284-L287 PolarHBondContact O-N 2.74Å; N285-L287 PolarHBondContact O-N 2.68Å; L287-L289 PolarHBondContact O-N 2.69Å; L287-A290 HydrophobicContact CD2-CB 4.48Å; L287-A290 PolarHBondContact O-N 2.89Å; L287-A290 VanDerWaalsContact O-N 3.09Å; L287-F291 WeakPolarHBondContact O-CD2 3.39Å; L287-F291 PolarHBondContact O-N 3Å; L287-Y379 HydrophobicContact CB-CD1 3.94Å; L287-Y379 HydrophobicContact CB-CG 4.26Å; L287-D381 HydrophobicContact CD1-CB 4.17Å |
| 288 | H | 94.5 | Very high | 91.5 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 1% | 0.014 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56 | -40 | 173 | -179.6 | 71 | 0 | 0 | 0 | 112.5 | L267 H270 H284 N285 T286 Q292 Y379 | L267-H288 PolarHBondContact O-NE2 2.85Å; H270-H288 AromaticContact ND1-CD2 3.98Å; H270-H288 AromaticContact ND1-NE2 3.96Å; H284-H288 PolarHBondContact O-N 3.03Å; H284-H288 VanDerWaalsContact O-N 3.15Å; N285-H288 WeakPolarHBondContact O-CB 3.49Å; N285-H288 PolarHBondContact O-N 3.27Å; T286-H288 VanDerWaalsContact C-N 3.3Å; T286-H288 PolarHBondContact O-N 3.24Å; H288-Q292 PolarHBondContact CD2-NE2 2.85Å; H288-Q292 PolarHBondContact NE2-NE2 3.05Å; H288-Q292 WeakPolarHBondContact O-CG 3.4Å; H288-Q292 PolarHBondContact O-NE2 3.29Å; H288-Y379 VanDerWaalsContact CA-CZ 3.47Å; H288-Y379 HydrophobicContact CB-CD2 4.34Å; H288-Y379 HydrophobicContact CB-CE1 4.47Å; H288-Y379 HydrophobicContact CB-CE2 3.61Å; H288-Y379 AromaticContact CG-CE2 4Å; H288-Y379 AromaticContact ND1-CE2 3.61Å; H288-Y379 AromaticContact ND1-CZ 3.51Å; H288-Y379 PolarHBondContact ND1-OH 3.48Å |
| 289 | L | 95.6 | Very high | 92.8 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -77.3 | -37 | 173.8 | -56.1 | -171.4 | 0 | 0 | 0 | 111.9 | T286 L287 F291 Q292 A293 V320 L323 N324 A327 L329 | T286-L289 PolarHBondContact O-N 3.27Å; T286-L289 VanDerWaalsContact O-N 3.11Å; L287-L289 PolarHBondContact O-N 2.69Å; L289-F291 PolarHBondContact O-N 3.35Å; L289-Q292 PolarHBondContact O-N 3.18Å; L289-A293 WeakPolarHBondContact O-CB 3.37Å; L289-A293 PolarHBondContact O-N 3.46Å; L289-V320 HydrophobicContact CB-CG1 4.09Å; L289-L323 HydrophobicContact CB-CB 4.5Å; L289-L323 HydrophobicContact CD1-CB 4.46Å; L289-L323 HydrophobicContact CD2-CB 4.29Å; L289-L323 WeakPolarHBondContact O-CD1 3.44Å; L289-N324 HydrophobicContact CD1-CB 3.82Å; L289-A327 HydrophobicContact CD1-CB 4.17Å; L289-A327 HydrophobicContact CD2-CB 4.02Å; L289-L329 HydrophobicContact CD1-CD1 3.57Å; L289-L329 HydrophobicContact CD1-CG 4.22Å; L289-L329 HydrophobicContact CG-CD1 3.97Å |
| 290 | A | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.5 | -42.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | T286 L287 A293 L294 V320 V337 F340 | T286-A290 PolarHBondContact O-N 2.82Å; L287-A290 HydrophobicContact CD2-CB 4.48Å; L287-A290 PolarHBondContact O-N 2.89Å; L287-A290 VanDerWaalsContact O-N 3.09Å; A290-A293 WeakPolarHBondContact O-CB 3.35Å; A290-A293 PolarHBondContact O-N 3.18Å; A290-L294 WeakPolarHBondContact O-CB 3.46Å; A290-L294 PolarHBondContact O-N 2.98Å; A290-V320 HydrophobicContact CB-CG2 4.48Å; A290-V337 HydrophobicContact CB-CG2 4.45Å; A290-F340 HydrophobicContact CB-CD1 3.85Å; A290-F340 HydrophobicContact CB-CE1 3.96Å; A290-F340 WeakPolarHBondContact O-CE1 3.28Å |
| 291 | F | 97.5 | Very high | 94.6 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 1% | 0.013 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.3 | -41.2 | 175 | -86.9 | -86.9 | 0 | 0 | 0 | 111.8 | D147 K149 C152 Q154 L287 L289 A293 L294 H295 F340 Y379 | D147-F291 HydrophobicContact CB-CE1 4.25Å; K149-F291 HydrophobicContact CB-CE1 4.44Å; K149-F291 HydrophobicContact CG-CE1 3.87Å; K149-F291 HydrophobicContact CG-CZ 4.47Å; C152-F291 HydrophobicContact CB-CE2 4.29Å; C152-F291 HydrophobicContact CB-CZ 4.34Å; Q154-F291 HydrophobicContact CB-CD2 4.29Å; Q154-F291 HydrophobicContact CB-CE1 4.39Å; Q154-F291 HydrophobicContact CB-CE2 4.15Å; Q154-F291 HydrophobicContact CB-CG 4.48Å; Q154-F291 HydrophobicContact CB-CZ 4.21Å; Q154-F291 VanDerWaalsContact CD-CD1 3.42Å; Q154-F291 HydrophobicContact CG-CD1 3.85Å; Q154-F291 HydrophobicContact CG-CD2 4.48Å; Q154-F291 HydrophobicContact CG-CE1 3.81Å; Q154-F291 HydrophobicContact CG-CE2 4.44Å; Q154-F291 HydrophobicContact CG-CG 4.21Å; Q154-F291 HydrophobicContact CG-CZ 4.12Å; Q154-F291 VanDerWaalsContact OE1-CB 3.26Å; Q154-F291 VanDerWaalsContact OE1-CG 3.25Å; L287-F291 WeakPolarHBondContact O-CD2 3.39Å; L287-F291 PolarHBondContact O-N 3Å; L289-F291 PolarHBondContact O-N 3.35Å; F291-A293 VanDerWaalsContact C-N 3.34Å; F291-A293 PolarHBondContact O-N 3.42Å; F291-L294 WeakPolarHBondContact O-CB 3.21Å; F291-L294 PolarHBondContact O-N 3.13Å; F291-H295 PolarHBondContact O-CD2 2.67Å; F291-H295 PolarHBondContact O-N 2.86Å; F291-H295 VanDerWaalsContact O-N 3.12Å; F291-F340 HydrophobicContact CD1-CE2 4.47Å; F291-F340 AromaticContact CD1-CZ 3.98Å; F291-F340 HydrophobicContact CD1-CZ 3.98Å; F291-F340 HydrophobicContact CD2-CE2 4.19Å; F291-F340 HydrophobicContact CD2-CZ 4.02Å; F291-F340 HydrophobicContact CE1-CE2 4.07Å; F291-F340 HydrophobicContact CE1-CZ 4.01Å; F291-F340 AromaticContact CE2-CE2 3.76Å; F291-F340 HydrophobicContact CE2-CE2 3.76Å; F291-F340 HydrophobicContact CE2-CZ 4.04Å; F291-F340 AromaticContact CG-CZ 3.99Å; F291-F340 HydrophobicContact CG-CZ 3.99Å; F291-F340 AromaticContact CZ-CE2 3.68Å; F291-F340 HydrophobicContact CZ-CE2 3.68Å; F291-F340 HydrophobicContact CZ-CZ 4.03Å; F291-Y379 HydrophobicContact CD2-CD1 4.06Å; F291-Y379 AromaticContact CD2-CE1 3.82Å; F291-Y379 HydrophobicContact CD2-CE1 3.82Å; F291-Y379 HydrophobicContact CE2-CD1 4.23Å; F291-Y379 HydrophobicContact CE2-CE1 4.38Å; F291-Y379 HydrophobicContact CG-CE1 4.44Å |
| 292 | Q | 96.9 | Very high | 95.4 | Very high | 25 Ų | 25 | 41.8 Ų | 41.8 | 12% | 0.117 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.7 | -41.8 | 173.4 | -70.2 | -176.8 | 69.3 | 0 | 0 | 112 | L267 H288 L289 L294 H295 R296 L323 | L267-Q292 HydrophobicContact CD2-CG 4.17Å; H288-Q292 PolarHBondContact CD2-NE2 2.85Å; H288-Q292 PolarHBondContact NE2-NE2 3.05Å; H288-Q292 WeakPolarHBondContact O-CG 3.4Å; H288-Q292 PolarHBondContact O-NE2 3.29Å; L289-Q292 PolarHBondContact O-N 3.18Å; Q292-L294 VanDerWaalsContact C-N 3.31Å; Q292-L294 PolarHBondContact O-N 3.05Å; Q292-H295 PolarHBondContact O-N 3.29Å; Q292-R296 PolarHBondContact O-N 3.05Å; Q292-R296 VanDerWaalsContact O-N 3.1Å; Q292-L323 HydrophobicContact CB-CD1 3.78Å |
| 293 | A | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.8 | -38.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L289 A290 F291 H295 R296 F297 L316 I319 V320 L323 | L289-A293 WeakPolarHBondContact O-CB 3.37Å; L289-A293 PolarHBondContact O-N 3.46Å; A290-A293 WeakPolarHBondContact O-CB 3.35Å; A290-A293 PolarHBondContact O-N 3.18Å; F291-A293 VanDerWaalsContact C-N 3.34Å; F291-A293 PolarHBondContact O-N 3.42Å; A293-H295 PolarHBondContact O-N 2.63Å; A293-R296 PolarHBondContact O-N 3.47Å; A293-F297 WeakPolarHBondContact O-CB 3.3Å; A293-F297 PolarHBondContact O-N 3.29Å; A293-L316 HydrophobicContact CB-CD1 3.92Å; A293-L316 HydrophobicContact CB-CG 4.4Å; A293-I319 HydrophobicContact CB-CB 3.99Å; A293-I319 HydrophobicContact CB-CG2 3.66Å; A293-V320 HydrophobicContact CB-CG2 3.44Å; A293-V320 VanDerWaalsContact CB-CG2 3.44Å; A293-L323 HydrophobicContact CB-CD1 4.01Å |
| 294 | L | 98.6 | Very high | 96.1 | Very high | 6 Ų | 6 | 43.2 Ų | 43.2 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.8 | -43.3 | 176.8 | -175.1 | 64.9 | 0 | 0 | 0 | 111.5 | K149 A290 F291 Q292 R296 F297 V298 L304 P305 L316 F340 A344 | K149-L294 HydrophobicContact CD-CD2 3.98Å; K149-L294 HydrophobicContact CG-CD2 3.84Å; A290-L294 WeakPolarHBondContact O-CB 3.46Å; A290-L294 PolarHBondContact O-N 2.98Å; F291-L294 WeakPolarHBondContact O-CB 3.21Å; F291-L294 PolarHBondContact O-N 3.13Å; Q292-L294 VanDerWaalsContact C-N 3.31Å; Q292-L294 PolarHBondContact O-N 3.05Å; L294-R296 VanDerWaalsContact C-N 3.34Å; L294-R296 PolarHBondContact O-N 2.82Å; L294-F297 WeakPolarHBondContact O-CB 3.35Å; L294-F297 PolarHBondContact O-N 2.93Å; L294-V298 VanDerWaalsContact O-CG2 3.31Å; L294-V298 WeakPolarHBondContact O-CG2 3.46Å; L294-V298 PolarHBondContact O-N 3.34Å; L294-L304 HydrophobicContact CD1-CD2 3.87Å; L294-L304 HydrophobicContact CD2-CD2 4.17Å; L294-L304 HydrophobicContact CG-CD2 4.16Å; L294-P305 VanDerWaalsContact CD1-CD 3.47Å; L294-P305 HydrophobicContact CD1-CG 3.81Å; L294-L316 HydrophobicContact CB-CD1 4.36Å; L294-L316 HydrophobicContact CD1-CD1 4.45Å; L294-F340 HydrophobicContact CB-CE1 3.92Å; L294-F340 HydrophobicContact CB-CZ 4.33Å; L294-F340 HydrophobicContact CD2-CE1 3.97Å; L294-F340 HydrophobicContact CD2-CZ 3.72Å; L294-F340 HydrophobicContact CG-CE1 4.4Å; L294-A344 HydrophobicContact CD1-CB 4.2Å |
| 295 | H | 98.1 | Very high | 96.5 | Very high | 35 Ų | 35 | 42.4 Ų | 42.4 | 16% | 0.162 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.7 | -40.6 | 174.5 | -68.6 | -65.7 | 0 | 0 | 0 | 112.4 | S124 L126 F291 Q292 A293 V298 K299 | S124-H295 PolarHBondContact O-CE1 3.35Å; L126-H295 HydrophobicContact CB-CB 3.73Å; L126-H295 HydrophobicContact CD2-CB 4.18Å; F291-H295 PolarHBondContact O-CD2 2.67Å; F291-H295 PolarHBondContact O-N 2.86Å; F291-H295 VanDerWaalsContact O-N 3.12Å; Q292-H295 PolarHBondContact O-N 3.29Å; A293-H295 PolarHBondContact O-N 2.63Å; H295-V298 PolarHBondContact O-N 3.02Å; H295-K299 WeakPolarHBondContact O-CB 3.48Å; H295-K299 PolarHBondContact O-N 3.44Å |
| 296 | R | 97.9 | Very high | 96.7 | Very high | 115 Ų | 115 | 44.5 Ų | 44.5 | 43% | 0.434 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.2 | -41.5 | 174.3 | -72.3 | -176 | -178 | -164.6 | 2.8 | 111.9 | Q292 A293 L294 K299 K300 I319 | Q292-R296 PolarHBondContact O-N 3.05Å; Q292-R296 VanDerWaalsContact O-N 3.1Å; A293-R296 PolarHBondContact O-N 3.47Å; L294-R296 VanDerWaalsContact C-N 3.34Å; L294-R296 PolarHBondContact O-N 2.82Å; R296-K299 PolarHBondContact O-N 3.43Å; R296-K300 WeakPolarHBondContact O-CB 3.32Å; R296-K300 PolarHBondContact O-N 3.03Å; R296-I319 HydrophobicContact CB-CD1 4.45Å; R296-I319 HydrophobicContact CB-CG2 3.9Å; R296-I319 HydrophobicContact CG-CG2 4.37Å |
| 297 | F | 98.5 | Very high | 96.7 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.009 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.1 | -52.7 | 175.2 | -177.8 | -78.9 | 0 | 0 | 0 | 110.3 | A293 L294 K299 K300 E301 R303 P305 D312 L315 L316 I319 | A293-F297 WeakPolarHBondContact O-CB 3.3Å; A293-F297 PolarHBondContact O-N 3.29Å; L294-F297 WeakPolarHBondContact O-CB 3.35Å; L294-F297 PolarHBondContact O-N 2.93Å; F297-K299 VanDerWaalsContact C-N 3.29Å; F297-K299 PolarHBondContact O-N 2.84Å; F297-K300 PolarHBondContact O-N 3.12Å; F297-K300 VanDerWaalsContact O-N 3.08Å; F297-E301 HydrophobicContact CD1-CB 4.16Å; F297-E301 HydrophobicContact CD1-CG 4.13Å; F297-E301 HydrophobicContact CD2-CG 4.18Å; F297-E301 HydrophobicContact CE1-CB 3.8Å; F297-E301 HydrophobicContact CE1-CG 3.83Å; F297-E301 HydrophobicContact CE2-CG 3.91Å; F297-E301 HydrophobicContact CG-CG 4.28Å; F297-E301 HydrophobicContact CZ-CB 4.13Å; F297-E301 HydrophobicContact CZ-CG 3.72Å; F297-E301 WeakPolarHBondContact O-CB 3.49Å; F297-E301 PolarHBondContact O-N 3.32Å; F297-R303 WeakPolarHBondContact CD1-O 3.35Å; F297-R303 WeakPolarHBondContact CE1-O 3.33Å; F297-P305 HydrophobicContact CD1-CG 3.98Å; F297-P305 HydrophobicContact CE1-CB 4.4Å; F297-P305 HydrophobicContact CE1-CG 3.85Å; F297-P305 HydrophobicContact CG-CG 4.4Å; F297-P305 HydrophobicContact CZ-CB 4.41Å; F297-P305 HydrophobicContact CZ-CG 4.13Å; F297-D312 HydrophobicContact CE2-CB 4.25Å; F297-D312 HydrophobicContact CZ-CB 4.07Å; F297-L315 HydrophobicContact CD2-CB 4.41Å; F297-L315 HydrophobicContact CE2-CB 4.05Å; F297-L315 HydrophobicContact CE2-CD1 4.33Å; F297-L316 HydrophobicContact CB-CD1 3.93Å; F297-L316 HydrophobicContact CD2-CD1 4.43Å; F297-L316 HydrophobicContact CG-CD1 4.38Å; F297-I319 HydrophobicContact CB-CD1 4.02Å; F297-I319 HydrophobicContact CD2-CD1 4.42Å |
| 298 | V | 98.1 | Very high | 96.6 | Very high | 51 Ų | 51 | 48.5 Ų | 48.5 | 31% | 0.309 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59.9 | -40.9 | 179.3 | 173 | 0 | 0 | 0 | 0 | 111.2 | L294 H295 K300 Q302 L304 | L294-V298 VanDerWaalsContact O-CG2 3.31Å; L294-V298 WeakPolarHBondContact O-CG2 3.46Å; L294-V298 PolarHBondContact O-N 3.34Å; H295-V298 PolarHBondContact O-N 3.02Å; V298-K300 VanDerWaalsContact C-N 3.3Å; V298-K300 PolarHBondContact O-N 3.43Å; V298-Q302 WeakPolarHBondContact O-CA 3.37Å; V298-Q302 PolarHBondContact O-N 3Å; V298-L304 HydrophobicContact CG2-CD2 3.66Å; V298-L304 HydrophobicContact CG2-CG 4.28Å |
| 299 | K | 96.8 | Very high | 96.6 | Very high | 127 Ų | 127 | 49.3 Ų | 49.3 | 55% | 0.552 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -63.2 | -34.8 | 177 | -174.4 | 168.2 | -177 | 161.4 | 0 | 112.9 | D127 H295 R296 F297 Q302 | D127-K299 IonicContact OD1-NZ 3.97Å; D127-K299 PolarHBondContact OD1-NZ 2.94Å; D127-K299 IonicContact OD2-NZ 3.7Å; D127-K299 PolarHBondContact OD2-NZ 2.93Å; H295-K299 WeakPolarHBondContact O-CB 3.48Å; H295-K299 PolarHBondContact O-N 3.44Å; R296-K299 PolarHBondContact O-N 3.43Å; F297-K299 VanDerWaalsContact C-N 3.29Å; F297-K299 PolarHBondContact O-N 2.84Å; K299-Q302 PolarHBondContact O-NE2 3.19Å |
| 300 | K | 97.1 | Very high | 96.5 | Very high | 146 Ų | 146 | 53.6 Ų | 53.6 | 64% | 0.635 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -83.1 | -50.5 | -179.9 | -175.9 | -175.4 | 172.6 | -170.7 | 0 | 112.4 | R296 F297 V298 | R296-K300 WeakPolarHBondContact O-CB 3.32Å; R296-K300 PolarHBondContact O-N 3.03Å; F297-K300 PolarHBondContact O-N 3.12Å; F297-K300 VanDerWaalsContact O-N 3.08Å; V298-K300 VanDerWaalsContact C-N 3.3Å; V298-K300 PolarHBondContact O-N 3.43Å |
| 301 | E | 97.4 | Very high | 96.5 | Very high | 66 Ų | 66 | 57 Ų | 57 | 31% | 0.308 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -89.4 | -10.1 | -171.9 | -57.8 | -58.9 | 138.9 | 0 | 0 | 112.8 | F297 R303 | F297-E301 HydrophobicContact CD1-CB 4.16Å; F297-E301 HydrophobicContact CD1-CG 4.13Å; F297-E301 HydrophobicContact CD2-CG 4.18Å; F297-E301 HydrophobicContact CE1-CB 3.8Å; F297-E301 HydrophobicContact CE1-CG 3.83Å; F297-E301 HydrophobicContact CE2-CG 3.91Å; F297-E301 HydrophobicContact CG-CG 4.28Å; F297-E301 HydrophobicContact CZ-CB 4.13Å; F297-E301 HydrophobicContact CZ-CG 3.72Å; F297-E301 WeakPolarHBondContact O-CB 3.49Å; F297-E301 PolarHBondContact O-N 3.32Å; E301-R303 HydrophobicContact CB-CG 4.12Å; E301-R303 PolarHBondContact O-N 3.47Å |
| 302 | Q | 96.8 | Very high | 96.5 | Very high | 156 Ų | 156 | 57.1 Ų | 57.1 | 73% | 0.729 | 27% | 0.27 | S | S | * | . | S | Bend | trans | 59.2 | 26.2 | -179.3 | -60.1 | -66.9 | -49.1 | 0 | 0 | 113.7 | V298 K299 | V298-Q302 WeakPolarHBondContact O-CA 3.37Å; V298-Q302 PolarHBondContact O-N 3Å; K299-Q302 PolarHBondContact O-NE2 3.19Å |
| 303 | R | 95.9 | Very high | 96.5 | Very high | 68 Ų | 68 | 56 Ų | 56 | 26% | 0.257 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -159.7 | 163.8 | 178.4 | 62.6 | 177.1 | 179.5 | 78.1 | -3.9 | 110.6 | F297 E301 H306 D312 | F297-R303 WeakPolarHBondContact CD1-O 3.35Å; F297-R303 WeakPolarHBondContact CE1-O 3.33Å; E301-R303 HydrophobicContact CB-CG 4.12Å; E301-R303 PolarHBondContact O-N 3.47Å; R303-H306 PolarHBondContact NE-CE1 3.31Å; R303-H306 VanDerWaalsContact NE-CE1 3.33Å; R303-H306 PolarHBondContact NH1-CE1 2.83Å; R303-H306 VanDerWaalsContact NH1-CE1 3.33Å; R303-H306 PolarHBondContact NH1-ND1 3.49Å; R303-H306 PolarHBondContact NH2-ND1 2.83Å; R303-D312 IonicContact CZ-OD1 3.64Å; R303-D312 IonicContact CZ-OD2 3.04Å; R303-D312 IonicContact NH1-OD1 2.68Å; R303-D312 IonicContact NH1-OD2 3.54Å; R303-D312 PolarHBondContact NH1-OD2 3.23Å; R303-D312 IonicContact NH2-OD1 3.74Å; R303-D312 PolarHBondContact NH2-OD1 3.42Å; R303-D312 IonicContact NH2-OD2 3.34Å; R303-D312 PolarHBondContact NH2-OD2 2.9Å; R303-D312 VanDerWaalsContact NH2-OD2 3.14Å |
| 304 | L | 96.6 | Very high | 96.5 | Very high | 51 Ų | 51 | 59.3 Ų | 59.3 | 27% | 0.267 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 157.2 | 163.1 | -71.4 | 168.2 | 0 | 0 | 0 | 111 | L294 V298 R345 | L294-L304 HydrophobicContact CD1-CD2 3.87Å; L294-L304 HydrophobicContact CD2-CD2 4.17Å; L294-L304 HydrophobicContact CG-CD2 4.16Å; V298-L304 HydrophobicContact CG2-CD2 3.66Å; V298-L304 HydrophobicContact CG2-CG 4.28Å; L304-R345 HydrophobicContact CB-CG 3.72Å; L304-R345 HydrophobicContact CD1-CG 4.07Å; L304-R345 PolarHBondContact O-NE 3.12Å; L304-R345 PolarHBondContact O-NH2 2.91Å |
| 305 | P | 96.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -48.7 | 143.4 | 169.1 | -28.8 | 36.7 | 0 | 0 | 0 | 111.9 | L294 F297 D312 S341 A344 R345 | L294-P305 VanDerWaalsContact CD1-CD 3.47Å; L294-P305 HydrophobicContact CD1-CG 3.81Å; F297-P305 HydrophobicContact CD1-CG 3.98Å; F297-P305 HydrophobicContact CE1-CB 4.4Å; F297-P305 HydrophobicContact CE1-CG 3.85Å; F297-P305 HydrophobicContact CG-CG 4.4Å; F297-P305 HydrophobicContact CZ-CB 4.41Å; F297-P305 HydrophobicContact CZ-CG 4.13Å; P305-D312 HydrophobicContact CB-CB 4.02Å; P305-S341 WeakPolarHBondContact CB-OG 3.49Å; P305-A344 HydrophobicContact CB-CB 4.45Å; P305-A344 HydrophobicContact CG-CB 4.2Å; P305-R345 WeakPolarHBondContact O-CD 3.49Å; P305-R345 WeakPolarHBondContact O-CG 3.45Å; P305-R345 PolarHBondContact O-NE 2.58Å |
| 306 | H | 94.7 | Very high | 96.5 | Very high | 77 Ų | 77 | 60.9 Ų | 60.9 | 36% | 0.356 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 143.9 | 173.5 | -70.8 | 97.3 | 0 | 0 | 0 | 110.1 | R303 W308 S309 D312 R345 | R303-H306 PolarHBondContact NE-CE1 3.31Å; R303-H306 VanDerWaalsContact NE-CE1 3.33Å; R303-H306 PolarHBondContact NH1-CE1 2.83Å; R303-H306 VanDerWaalsContact NH1-CE1 3.33Å; R303-H306 PolarHBondContact NH1-ND1 3.49Å; R303-H306 PolarHBondContact NH2-ND1 2.83Å; H306-W308 PolarHBondContact O-N 3.44Å; H306-S309 WeakPolarHBondContact O-CB 3.29Å; H306-S309 PolarHBondContact O-N 2.89Å; H306-D312 IonicContact CG-OD2 3.93Å; H306-D312 PolarHBondContact N-OD2 3.41Å; H306-D312 IonicContact ND1-OD2 3.59Å; H306-D312 PolarHBondContact ND1-OD2 3.3Å; H306-R345 PolarHBondContact CD2-NH2 3.35Å; H306-R345 VanDerWaalsContact CD2-NH2 3.29Å; H306-R345 PolarHBondContact NE2-NH2 3.12Å |
| 307 | P | 92.8 | Very high | 96.5 | Very high | 30 Ų | 30 | 55.9 Ų | 55.9 | 20% | 0.195 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | 127.9 | 175.7 | -28.9 | 38 | 0 | 0 | 0 | 111.2 | S309 Y342 V410 | P307-S309 PolarHBondContact O-N 2.83Å; P307-Y342 WeakPolarHBondContact CA-O 3.45Å; P307-V410 HydrophobicContact CB-CG1 3.92Å; P307-V410 HydrophobicContact CB-CG2 4.49Å; P307-V410 HydrophobicContact CG-CB 4.44Å; P307-V410 HydrophobicContact CG-CG1 3.74Å; P307-V410 HydrophobicContact CG-CG2 3.94Å |
| 308 | W | 92.7 | Very high | 96.5 | Very high | 55 Ų | 55 | 57.2 Ų | 57.2 | 21% | 0.208 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 21.4 | 174.8 | -63.9 | 80.6 | 0 | 0 | 0 | 115.9 | H306 Q310 Y342 F398 V410 | H306-W308 PolarHBondContact O-N 3.44Å; W308-Q310 PolarHBondContact O-N 3.25Å; W308-Y342 VanDerWaalsContact CA-CD1 3.49Å; W308-Y342 HydrophobicContact CD2-CD2 4.33Å; W308-Y342 HydrophobicContact CD2-CG 4.32Å; W308-Y342 AromaticContact CE3-CD2 3.82Å; W308-Y342 HydrophobicContact CE3-CD2 3.82Å; W308-Y342 HydrophobicContact CE3-CE2 4.37Å; W308-Y342 HydrophobicContact CE3-CG 4.23Å; W308-Y342 HydrophobicContact CG-CG 4.5Å; W308-Y342 HydrophobicContact CZ3-CD2 4.13Å; W308-Y342 PolarHBondContact N-O 3.38Å; W308-F398 HydrophobicContact CB-CD2 4.45Å; W308-F398 AromaticContact CD1-CD1 3.58Å; W308-F398 AromaticContact CD1-CD2 3.77Å; W308-F398 AromaticContact CD1-CG 3.38Å; W308-F398 HydrophobicContact CD2-CD2 4.26Å; W308-F398 HydrophobicContact CD2-CE1 4.29Å; W308-F398 HydrophobicContact CD2-CE2 4.04Å; W308-F398 HydrophobicContact CD2-CG 4.47Å; W308-F398 HydrophobicContact CD2-CZ 4.03Å; W308-F398 AromaticContact CE2-CD1 3.8Å; W308-F398 AromaticContact CE2-CE1 3.49Å; W308-F398 VanDerWaalsContact CE2-CE1 3.49Å; W308-F398 AromaticContact CE2-CZ 3.62Å; W308-F398 HydrophobicContact CG-CB 4.46Å; W308-F398 HydrophobicContact CG-CD1 4.37Å; W308-F398 AromaticContact CG-CD2 3.91Å; W308-F398 HydrophobicContact CG-CD2 3.91Å; W308-F398 HydrophobicContact CG-CE2 4.17Å; W308-F398 HydrophobicContact CG-CG 4Å; W308-F398 HydrophobicContact CG-CZ 4.49Å; W308-F398 HydrophobicContact CH2-CZ 4.28Å; W308-F398 HydrophobicContact CZ2-CD1 4.39Å; W308-F398 AromaticContact CZ2-CE1 3.67Å; W308-F398 HydrophobicContact CZ2-CE1 3.67Å; W308-F398 AromaticContact CZ2-CZ 3.77Å; W308-F398 HydrophobicContact CZ2-CZ 3.77Å; W308-F398 AromaticContact NE1-CD1 3.17Å; W308-F398 AromaticContact NE1-CE1 3.37Å; W308-F398 AromaticContact NE1-CG 3.53Å; W308-F398 AromaticContact NE1-CZ 3.89Å; W308-V410 PolarHBondContact NE1-O 3.42Å; W308-V410 VanDerWaalsContact NE1-O 3.1Å |
| 309 | S | 93.7 | Very high | 96.5 | Very high | 21 Ų | 21 | 55.7 Ų | 55.7 | 15% | 0.147 | 28% | 0.278 | C | S | . | . | trans | -81.2 | 111.9 | 178.5 | 174.5 | 0 | 0 | 0 | 0 | 111.7 | H306 P307 S311 D312 A313 Y342 | H306-S309 WeakPolarHBondContact O-CB 3.29Å; H306-S309 PolarHBondContact O-N 2.89Å; P307-S309 PolarHBondContact O-N 2.83Å; S309-S311 VanDerWaalsContact C-N 3.3Å; S309-S311 PolarHBondContact O-N 3.01Å; S309-S311 PolarHBondContact OG-OG 3.03Å; S309-D312 PolarHBondContact O-N 3.42Å; S309-D312 PolarHBondContact OG-N 3.47Å; S309-A313 PolarHBondContact O-N 3.27Å; S309-Y342 WeakPolarHBondContact O-CE1 3.43Å | ||
| 310 | Q | 94.4 | Very high | 96.6 | Very high | 91 Ų | 91 | 49.7 Ų | 49.7 | 43% | 0.425 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -56.4 | -42.9 | 175.6 | -178.7 | 61.6 | 51.6 | 0 | 0 | 112.2 | W308 D312 A313 D314 Y342 | W308-Q310 PolarHBondContact O-N 3.25Å; Q310-D312 PolarHBondContact O-N 3.33Å; Q310-A313 PolarHBondContact O-N 3.46Å; Q310-D314 PolarHBondContact NE2-OD1 3.25Å; Q310-D314 PolarHBondContact NE2-OD2 3.01Å; Q310-D314 PolarHBondContact O-N 3.23Å; Q310-Y342 PolarHBondContact OE1-OH 3.35Å |
| 311 | S | 96.9 | Very high | 96.6 | Very high | 72 Ų | 72 | 46 Ų | 46 | 50% | 0.503 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.8 | -42.4 | -179.9 | 56.8 | 0 | 0 | 0 | 0 | 112.7 | S309 A313 D314 L315 | S309-S311 VanDerWaalsContact C-N 3.3Å; S309-S311 PolarHBondContact O-N 3.01Å; S309-S311 PolarHBondContact OG-OG 3.03Å; S311-A313 VanDerWaalsContact C-N 3.34Å; S311-D314 PolarHBondContact O-N 2.84Å; S311-L315 WeakPolarHBondContact O-CG 3.35Å; S311-L315 PolarHBondContact O-N 2.7Å |
| 312 | D | 97.5 | Very high | 96.5 | Very high | 6 Ų | 6 | 48.7 Ų | 48.7 | 3% | 0.032 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.3 | -34 | 177.7 | -73.8 | -13.6 | 0 | 0 | 0 | 111.3 | F297 R303 P305 H306 S309 Q310 L315 L316 | F297-D312 HydrophobicContact CE2-CB 4.25Å; F297-D312 HydrophobicContact CZ-CB 4.07Å; R303-D312 IonicContact CZ-OD1 3.64Å; R303-D312 IonicContact CZ-OD2 3.04Å; R303-D312 IonicContact NH1-OD1 2.68Å; R303-D312 IonicContact NH1-OD2 3.54Å; R303-D312 PolarHBondContact NH1-OD2 3.23Å; R303-D312 IonicContact NH2-OD1 3.74Å; R303-D312 PolarHBondContact NH2-OD1 3.42Å; R303-D312 IonicContact NH2-OD2 3.34Å; R303-D312 PolarHBondContact NH2-OD2 2.9Å; R303-D312 VanDerWaalsContact NH2-OD2 3.14Å; P305-D312 HydrophobicContact CB-CB 4.02Å; H306-D312 IonicContact CG-OD2 3.93Å; H306-D312 PolarHBondContact N-OD2 3.41Å; H306-D312 IonicContact ND1-OD2 3.59Å; H306-D312 PolarHBondContact ND1-OD2 3.3Å; S309-D312 PolarHBondContact O-N 3.42Å; S309-D312 PolarHBondContact OG-N 3.47Å; Q310-D312 PolarHBondContact O-N 3.33Å; D312-L315 PolarHBondContact O-N 3.46Å; D312-L316 WeakPolarHBondContact O-CB 3.32Å; D312-L316 PolarHBondContact O-N 3.45Å |
| 313 | A | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.3 | -40.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S309 Q310 S311 L316 L317 R338 S341 Y342 | S309-A313 PolarHBondContact O-N 3.27Å; Q310-A313 PolarHBondContact O-N 3.46Å; S311-A313 VanDerWaalsContact C-N 3.34Å; A313-L316 PolarHBondContact O-N 3.34Å; A313-L317 WeakPolarHBondContact O-CB 3.18Å; A313-L317 PolarHBondContact O-N 3.45Å; A313-R338 HydrophobicContact CB-CB 4.38Å; A313-R338 HydrophobicContact CB-CG 4.31Å; A313-S341 WeakPolarHBondContact CA-OG 3.33Å; A313-S341 PolarHBondContact N-OG 2.95Å; A313-Y342 HydrophobicContact CB-CD1 4.06Å; A313-Y342 HydrophobicContact CB-CE1 3.43Å; A313-Y342 VanDerWaalsContact CB-CE1 3.43Å |
| 314 | D | 98.1 | Very high | 96.3 | Very high | 71 Ų | 71 | 40.1 Ų | 40.1 | 38% | 0.38 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.6 | -41 | 173.8 | -71.5 | -37.8 | 0 | 0 | 0 | 111.7 | Q310 S311 L317 G318 R338 | Q310-D314 PolarHBondContact NE2-OD1 3.25Å; Q310-D314 PolarHBondContact NE2-OD2 3.01Å; Q310-D314 PolarHBondContact O-N 3.23Å; S311-D314 PolarHBondContact O-N 2.84Å; D314-L317 PolarHBondContact O-N 3.04Å; D314-G318 PolarHBondContact O-N 2.74Å; D314-R338 IonicContact OD1-CZ 3.92Å; D314-R338 IonicContact OD1-NH1 3.64Å; D314-R338 PolarHBondContact OD1-NH1 2.8Å; D314-R338 IonicContact OD1-NH2 3.95Å; D314-R338 PolarHBondContact OD1-NH2 2.98Å |
| 315 | L | 98.3 | Very high | 96.2 | Very high | 74 Ų | 74 | 41.9 Ų | 41.9 | 39% | 0.387 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.7 | -46 | 174.4 | -72.6 | 173 | 0 | 0 | 0 | 111.9 | F297 S311 D312 G318 I319 | F297-L315 HydrophobicContact CD2-CB 4.41Å; F297-L315 HydrophobicContact CE2-CB 4.05Å; F297-L315 HydrophobicContact CE2-CD1 4.33Å; S311-L315 WeakPolarHBondContact O-CG 3.35Å; S311-L315 PolarHBondContact O-N 2.7Å; D312-L315 PolarHBondContact O-N 3.46Å; L315-G318 PolarHBondContact O-N 2.85Å; L315-I319 WeakPolarHBondContact O-CG1 3.48Å; L315-I319 PolarHBondContact O-N 3.37Å |
| 316 | L | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63 | -44.6 | 178.6 | -170 | 74.1 | 0 | 0 | 0 | 111.3 | A293 L294 F297 D312 A313 G318 I319 V320 V337 F340 | A293-L316 HydrophobicContact CB-CD1 3.92Å; A293-L316 HydrophobicContact CB-CG 4.4Å; L294-L316 HydrophobicContact CB-CD1 4.36Å; L294-L316 HydrophobicContact CD1-CD1 4.45Å; F297-L316 HydrophobicContact CB-CD1 3.93Å; F297-L316 HydrophobicContact CD2-CD1 4.43Å; F297-L316 HydrophobicContact CG-CD1 4.38Å; D312-L316 WeakPolarHBondContact O-CB 3.32Å; D312-L316 PolarHBondContact O-N 3.45Å; A313-L316 PolarHBondContact O-N 3.34Å; L316-G318 VanDerWaalsContact C-N 3.3Å; L316-G318 PolarHBondContact O-N 3.38Å; L316-I319 WeakPolarHBondContact O-CB 3.21Å; L316-I319 PolarHBondContact O-N 3.37Å; L316-I319 VanDerWaalsContact O-N 3.13Å; L316-V320 PolarHBondContact O-N 3.49Å; L316-V337 HydrophobicContact CD2-CG1 4.24Å; L316-V337 HydrophobicContact CG-CG1 4.42Å; L316-F340 HydrophobicContact CD2-CD1 3.9Å; L316-F340 HydrophobicContact CD2-CE1 4.39Å |
| 317 | L | 98.3 | Very high | 95.5 | Very high | 9 Ų | 9 | 44.3 Ų | 44.3 | 5% | 0.047 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.8 | -38.5 | 176.7 | -178.3 | 62.6 | 0 | 0 | 0 | 111.9 | A313 D314 I319 V320 N321 L332 E334 V337 | A313-L317 WeakPolarHBondContact O-CB 3.18Å; A313-L317 PolarHBondContact O-N 3.45Å; D314-L317 PolarHBondContact O-N 3.04Å; L317-I319 VanDerWaalsContact C-N 3.32Å; L317-I319 PolarHBondContact O-N 2.99Å; L317-V320 PolarHBondContact O-N 3.17Å; L317-N321 PolarHBondContact O-N 2.73Å; L317-N321 PolarHBondContact O-ND2 3Å; L317-L332 HydrophobicContact CD1-CD2 4.3Å; L317-E334 HydrophobicContact CD1-CB 4.02Å; L317-E334 HydrophobicContact CD1-CG 3.93Å; L317-E334 HydrophobicContact CD2-CB 4.25Å; L317-E334 HydrophobicContact CD2-CG 4.39Å; L317-V337 HydrophobicContact CB-CG1 4.25Å; L317-V337 HydrophobicContact CD1-CB 4.14Å; L317-V337 HydrophobicContact CD1-CG1 4.03Å; L317-V337 HydrophobicContact CD1-CG2 4.39Å |
| 318 | G | 98.1 | Very high | 95.3 | Very high | 30 Ų | 30 | 50.4 Ų | 50.4 | 31% | 0.309 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -55.8 | -45.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D314 L315 L316 N321 E322 | D314-G318 PolarHBondContact O-N 2.74Å; L315-G318 PolarHBondContact O-N 2.85Å; L316-G318 VanDerWaalsContact C-N 3.3Å; L316-G318 PolarHBondContact O-N 3.38Å; G318-N321 PolarHBondContact O-N 3.14Å; G318-E322 WeakPolarHBondContact O-CG 3.36Å; G318-E322 PolarHBondContact O-N 2.87Å |
| 319 | I | 98.3 | Very high | 95.1 | Very high | 20 Ų | 20 | 49.2 Ų | 49.2 | 10% | 0.103 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.6 | -38 | 176.9 | -59.6 | 166.9 | 0 | 0 | 0 | 111.5 | A293 R296 F297 L315 L316 L317 N321 E322 L323 | A293-I319 HydrophobicContact CB-CB 3.99Å; A293-I319 HydrophobicContact CB-CG2 3.66Å; R296-I319 HydrophobicContact CB-CD1 4.45Å; R296-I319 HydrophobicContact CB-CG2 3.9Å; R296-I319 HydrophobicContact CG-CG2 4.37Å; F297-I319 HydrophobicContact CB-CD1 4.02Å; F297-I319 HydrophobicContact CD2-CD1 4.42Å; L315-I319 WeakPolarHBondContact O-CG1 3.48Å; L315-I319 PolarHBondContact O-N 3.37Å; L316-I319 WeakPolarHBondContact O-CB 3.21Å; L316-I319 PolarHBondContact O-N 3.37Å; L316-I319 VanDerWaalsContact O-N 3.13Å; L317-I319 VanDerWaalsContact C-N 3.32Å; L317-I319 PolarHBondContact O-N 2.99Å; I319-N321 VanDerWaalsContact C-N 3.34Å; I319-E322 PolarHBondContact O-N 2.83Å; I319-L323 HydrophobicContact CG2-CD1 4.39Å; I319-L323 WeakPolarHBondContact O-CG 3.44Å; I319-L323 PolarHBondContact O-N 3.38Å |
| 320 | V | 97.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 174.6 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | L289 A290 A293 L316 L317 E322 L323 N324 L332 V337 | L289-V320 HydrophobicContact CB-CG1 4.09Å; A290-V320 HydrophobicContact CB-CG2 4.48Å; A293-V320 HydrophobicContact CB-CG2 3.44Å; A293-V320 VanDerWaalsContact CB-CG2 3.44Å; L316-V320 PolarHBondContact O-N 3.49Å; L317-V320 PolarHBondContact O-N 3.17Å; V320-E322 VanDerWaalsContact C-N 3.34Å; V320-E322 PolarHBondContact O-N 3.13Å; V320-L323 WeakPolarHBondContact O-CB 3.25Å; V320-L323 PolarHBondContact O-N 3.11Å; V320-L323 VanDerWaalsContact O-N 3.14Å; V320-N324 WeakPolarHBondContact O-CB 3.5Å; V320-N324 PolarHBondContact O-N 2.92Å; V320-L332 HydrophobicContact CG1-CD1 3.71Å; V320-L332 HydrophobicContact CG1-CD2 3.88Å; V320-L332 HydrophobicContact CG1-CG 4.34Å; V320-V337 HydrophobicContact CB-CG1 4.49Å; V320-V337 HydrophobicContact CG1-CG2 4.29Å; V320-V337 HydrophobicContact CG2-CG1 3.83Å; V320-V337 HydrophobicContact CG2-CG2 4.31Å |
| 321 | N | 97.1 | Very high | 94.4 | Very high | 70 Ų | 70 | 58.2 Ų | 58.2 | 37% | 0.374 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.3 | -39 | 176.6 | -73.9 | -33.1 | 0 | 0 | 0 | 112.5 | L317 G318 I319 L323 N324 S325 L332 | L317-N321 PolarHBondContact O-N 2.73Å; L317-N321 PolarHBondContact O-ND2 3Å; G318-N321 PolarHBondContact O-N 3.14Å; I319-N321 VanDerWaalsContact C-N 3.34Å; N321-L323 VanDerWaalsContact C-N 3.33Å; N321-L323 PolarHBondContact O-N 3.5Å; N321-N324 PolarHBondContact O-N 3.08Å; N321-S325 PolarHBondContact O-N 3.14Å; N321-S325 VanDerWaalsContact O-N 3.08Å; N321-L332 WeakPolarHBondContact OD1-CD2 3.42Å |
| 322 | E | 96.5 | Very high | 94.1 | Very high | 122 Ų | 122 | 56.7 Ų | 56.7 | 57% | 0.57 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -63.5 | -36.9 | 172.2 | -70.4 | 174.1 | -170.9 | 0 | 0 | 112.7 | G318 I319 V320 S325 | G318-E322 WeakPolarHBondContact O-CG 3.36Å; G318-E322 PolarHBondContact O-N 2.87Å; I319-E322 PolarHBondContact O-N 2.83Å; V320-E322 VanDerWaalsContact C-N 3.34Å; V320-E322 PolarHBondContact O-N 3.13Å; E322-S325 PolarHBondContact O-OG 2.99Å |
| 323 | L | 94.7 | Very high | 94 | Very high | 14 Ų | 14 | 58.2 Ų | 58.2 | 7% | 0.073 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.1 | -40.2 | 174 | -75.9 | 167.2 | 0 | 0 | 0 | 111.1 | L289 Q292 A293 I319 V320 N321 S325 V326 A327 | L289-L323 HydrophobicContact CB-CB 4.5Å; L289-L323 HydrophobicContact CD1-CB 4.46Å; L289-L323 HydrophobicContact CD2-CB 4.29Å; L289-L323 WeakPolarHBondContact O-CD1 3.44Å; Q292-L323 HydrophobicContact CB-CD1 3.78Å; A293-L323 HydrophobicContact CB-CD1 4.01Å; I319-L323 HydrophobicContact CG2-CD1 4.39Å; I319-L323 WeakPolarHBondContact O-CG 3.44Å; I319-L323 PolarHBondContact O-N 3.38Å; V320-L323 WeakPolarHBondContact O-CB 3.25Å; V320-L323 PolarHBondContact O-N 3.11Å; V320-L323 VanDerWaalsContact O-N 3.14Å; N321-L323 VanDerWaalsContact C-N 3.33Å; N321-L323 PolarHBondContact O-N 3.5Å; L323-S325 VanDerWaalsContact C-N 3.26Å; L323-S325 PolarHBondContact O-N 3.02Å; L323-V326 PolarHBondContact O-N 3.14Å; L323-V326 VanDerWaalsContact O-N 3.15Å; L323-A327 PolarHBondContact O-N 2.94Å; L323-A327 VanDerWaalsContact O-N 3.12Å |
| 324 | N | 94.4 | Very high | 93.9 | Very high | 29 Ų | 29 | 62.6 Ų | 62.6 | 16% | 0.155 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -70.1 | -21.7 | -178.2 | -159.9 | 42 | 0 | 0 | 0 | 113.2 | L289 V320 N321 V326 A327 E328 L329 | L289-N324 HydrophobicContact CD1-CB 3.82Å; V320-N324 WeakPolarHBondContact O-CB 3.5Å; V320-N324 PolarHBondContact O-N 2.92Å; N321-N324 PolarHBondContact O-N 3.08Å; N324-V326 PolarHBondContact O-N 3.41Å; N324-V326 VanDerWaalsContact O-N 3.12Å; N324-A327 PolarHBondContact O-N 3.15Å; N324-E328 WeakPolarHBondContact O-CA 3.45Å; N324-E328 PolarHBondContact O-N 2.96Å; N324-L329 PolarHBondContact ND2-O 3.4Å; N324-L329 WeakPolarHBondContact OD1-CB 3.34Å; N324-L329 VanDerWaalsContact OD1-CG 3.31Å; N324-L329 WeakPolarHBondContact OD1-CG 3.49Å; N324-L329 PolarHBondContact OD1-N 3.12Å |
| 325 | S | 93.2 | Very high | 93.7 | Very high | 89 Ų | 89 | 62 Ų | 62 | 62% | 0.622 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -64.9 | -13.3 | 172.7 | 78.8 | 0 | 0 | 0 | 0 | 113.5 | N321 E322 L323 | N321-S325 PolarHBondContact O-N 3.14Å; N321-S325 VanDerWaalsContact O-N 3.08Å; E322-S325 PolarHBondContact O-OG 2.99Å; L323-S325 VanDerWaalsContact C-N 3.26Å; L323-S325 PolarHBondContact O-N 3.02Å |
| 326 | V | 89.5 | Confident | 93.5 | Very high | 114 Ų | 114 | 58.5 Ų | 58.5 | 69% | 0.691 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -107.8 | -38.6 | 174 | -178.1 | 0 | 0 | 0 | 0 | 111 | L323 N324 E328 | L323-V326 PolarHBondContact O-N 3.14Å; L323-V326 VanDerWaalsContact O-N 3.15Å; N324-V326 PolarHBondContact O-N 3.41Å; N324-V326 VanDerWaalsContact O-N 3.12Å; V326-E328 VanDerWaalsContact C-N 3.32Å |
| 327 | A | 87.9 | Confident | 93.5 | Very high | 13 Ų | 13 | 58.5 Ų | 58.5 | 11% | 0.107 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -74 | -24.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.5 | L289 L323 N324 L329 | L289-A327 HydrophobicContact CD1-CB 4.17Å; L289-A327 HydrophobicContact CD2-CB 4.02Å; L323-A327 PolarHBondContact O-N 2.94Å; L323-A327 VanDerWaalsContact O-N 3.12Å; N324-A327 PolarHBondContact O-N 3.15Å; A327-L329 VanDerWaalsContact C-N 3.27Å; A327-L329 HydrophobicContact CB-CG 4.29Å; A327-L329 PolarHBondContact O-N 3.31Å |
| 328 | E | 89.3 | Confident | 93.4 | Very high | 159 Ų | 159 | 60.8 Ų | 60.8 | 74% | 0.743 | 33% | 0.332 | S | S | * | . | trans | 50.1 | 43.1 | 179.4 | -60.8 | -175.3 | 157.9 | 0 | 0 | 112.8 | N324 V326 D330 | N324-E328 WeakPolarHBondContact O-CA 3.45Å; N324-E328 PolarHBondContact O-N 2.96Å; V326-E328 VanDerWaalsContact C-N 3.32Å; E328-D330 PolarHBondContact O-N 3.26Å | ||
| 329 | L | 87.6 | Confident | 93.3 | Very high | 29 Ų | 29 | 61.5 Ų | 61.5 | 15% | 0.152 | 33% | 0.328 | C | S | . | . | trans | -66.5 | 129.5 | 173.5 | -58.2 | -179.9 | 0 | 0 | 0 | 109.9 | H270 N285 L289 N324 A327 E331 | H270-L329 HydrophobicContact CB-CD2 4.41Å; N285-L329 HydrophobicContact CB-CD1 3.99Å; N285-L329 HydrophobicContact CB-CD2 4.21Å; L289-L329 HydrophobicContact CD1-CD1 3.57Å; L289-L329 HydrophobicContact CD1-CG 4.22Å; L289-L329 HydrophobicContact CG-CD1 3.97Å; N324-L329 PolarHBondContact ND2-O 3.4Å; N324-L329 WeakPolarHBondContact OD1-CB 3.34Å; N324-L329 VanDerWaalsContact OD1-CG 3.31Å; N324-L329 WeakPolarHBondContact OD1-CG 3.49Å; N324-L329 PolarHBondContact OD1-N 3.12Å; A327-L329 VanDerWaalsContact C-N 3.27Å; A327-L329 HydrophobicContact CB-CG 4.29Å; A327-L329 PolarHBondContact O-N 3.31Å; L329-E331 VanDerWaalsContact C-N 3.33Å; L329-E331 PolarHBondContact O-N 3.1Å | ||
| 330 | D | 85.7 | Confident | 93.2 | Very high | 170 Ų | 170 | 60.5 Ų | 60.5 | 91% | 0.909 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -61.9 | -38.3 | -179.5 | -66.1 | -44.2 | 0 | 0 | 0 | 112.8 | E328 | E328-D330 PolarHBondContact O-N 3.26Š|
| 331 | E | 87.7 | Confident | 93.2 | Very high | 131 Ų | 131 | 60.5 Ų | 60.5 | 61% | 0.612 | 32% | 0.323 | S | S | * | . | trans | -128.6 | 128.5 | -178.7 | -68.9 | -175 | 175.2 | 0 | 0 | 110.9 | L329 | L329-E331 VanDerWaalsContact C-N 3.33Å; L329-E331 PolarHBondContact O-N 3.1Å | ||
| 332 | L | 91.6 | Very high | 93.2 | Very high | 40 Ų | 40 | 58.5 Ų | 58.5 | 21% | 0.209 | 31% | 0.311 | C | S | . | . | trans | -116.1 | 122.7 | 174.7 | -166.7 | 76.8 | 0 | 0 | 0 | 110.1 | T286 L317 V320 N321 E334 | T286-L332 HydrophobicContact CG2-CD1 3.71Å; T286-L332 HydrophobicContact CG2-CG 4.17Å; L317-L332 HydrophobicContact CD1-CD2 4.3Å; V320-L332 HydrophobicContact CG1-CD1 3.71Å; V320-L332 HydrophobicContact CG1-CD2 3.88Å; V320-L332 HydrophobicContact CG1-CG 4.34Å; N321-L332 WeakPolarHBondContact OD1-CD2 3.42Å; L332-E334 HydrophobicContact CD2-CG 4.19Å; L332-E334 PolarHBondContact O-N 3.35Å; L332-E334 VanDerWaalsContact O-N 3.08Å | ||
| 333 | D | 93.9 | Very high | 93.1 | Very high | 39 Ų | 39 | 52.7 Ų | 52.7 | 21% | 0.209 | 28% | 0.283 | C | S | . | . | trans | -82.9 | 79 | 174.1 | -170.5 | -16.4 | 0 | 0 | 0 | 109.9 | R283 T286 A335 A336 V337 | R283-D333 HydrophobicContact CB-CB 4.48Å; R283-D333 HydrophobicContact CG-CB 4.4Å; R283-D333 IonicContact CZ-OD2 2.73Å; R283-D333 IonicContact NE-OD2 3.27Å; R283-D333 PolarHBondContact NE-OD2 2.9Å; R283-D333 IonicContact NH2-OD2 3.33Å; T286-D333 HydrophobicContact CG2-CB 4.3Å; T286-D333 PolarHBondContact OG1-N 3.48Å; D333-A335 PolarHBondContact O-N 3.43Å; D333-A335 PolarHBondContact OD1-N 2.77Å; D333-A336 HydrophobicContact CB-CB 3.94Å; D333-A336 VanDerWaalsContact CG-CB 3.41Å; D333-A336 WeakPolarHBondContact O-CB 3.38Å; D333-A336 PolarHBondContact O-N 3.14Å; D333-A336 VanDerWaalsContact O-N 3.14Å; D333-A336 PolarHBondContact OD1-N 2.95Å; D333-V337 PolarHBondContact O-N 3.09Å; D333-V337 VanDerWaalsContact O-N 3.17Å | ||
| 334 | E | 95.5 | Very high | 93.2 | Very high | 91 Ų | 91 | 52.1 Ų | 52.1 | 43% | 0.425 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.4 | -32.9 | -179.2 | -59.3 | -166.3 | 177 | 0 | 0 | 112.7 | L317 L332 V337 R338 | L317-E334 HydrophobicContact CD1-CB 4.02Å; L317-E334 HydrophobicContact CD1-CG 3.93Å; L317-E334 HydrophobicContact CD2-CB 4.25Å; L317-E334 HydrophobicContact CD2-CG 4.39Å; L332-E334 HydrophobicContact CD2-CG 4.19Å; L332-E334 PolarHBondContact O-N 3.35Å; L332-E334 VanDerWaalsContact O-N 3.08Å; E334-V337 PolarHBondContact O-N 2.86Å; E334-R338 WeakPolarHBondContact O-CG 3.39Å; E334-R338 PolarHBondContact O-N 3.43Å |
| 335 | A | 93.8 | Very high | 93.3 | Very high | 58 Ų | 58 | 55.1 Ų | 55.1 | 48% | 0.479 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.7 | -43.3 | 178 | 0 | 0 | 0 | 0 | 0 | 110.8 | D333 V337 R338 I339 | D333-A335 PolarHBondContact O-N 3.43Å; D333-A335 PolarHBondContact OD1-N 2.77Å; A335-V337 VanDerWaalsContact C-N 3.34Å; A335-V337 PolarHBondContact O-N 3.05Å; A335-R338 PolarHBondContact O-N 2.86Å; A335-I339 WeakPolarHBondContact O-CG1 3.01Å; A335-I339 PolarHBondContact O-N 2.94Å |
| 336 | A | 94.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.008 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61 | -40.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R283 D333 R338 I339 F340 L383 | R283-A336 HydrophobicContact CG-CB 3.86Å; D333-A336 HydrophobicContact CB-CB 3.94Å; D333-A336 VanDerWaalsContact CG-CB 3.41Å; D333-A336 WeakPolarHBondContact O-CB 3.38Å; D333-A336 PolarHBondContact O-N 3.14Å; D333-A336 VanDerWaalsContact O-N 3.14Å; D333-A336 PolarHBondContact OD1-N 2.95Å; A336-R338 VanDerWaalsContact C-N 3.32Å; A336-R338 PolarHBondContact O-N 2.92Å; A336-I339 PolarHBondContact O-N 3.42Å; A336-F340 WeakPolarHBondContact O-CB 3.22Å; A336-F340 PolarHBondContact O-N 2.82Å; A336-L383 HydrophobicContact CB-CD1 3.89Å |
| 337 | V | 97.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.1 | -41.3 | 176.3 | 178.3 | 0 | 0 | 0 | 0 | 111.6 | T286 A290 L316 L317 V320 D333 E334 A335 F340 S341 | T286-V337 HydrophobicContact CG2-CG2 3.47Å; T286-V337 VanDerWaalsContact CG2-CG2 3.47Å; A290-V337 HydrophobicContact CB-CG2 4.45Å; L316-V337 HydrophobicContact CD2-CG1 4.24Å; L316-V337 HydrophobicContact CG-CG1 4.42Å; L317-V337 HydrophobicContact CB-CG1 4.25Å; L317-V337 HydrophobicContact CD1-CB 4.14Å; L317-V337 HydrophobicContact CD1-CG1 4.03Å; L317-V337 HydrophobicContact CD1-CG2 4.39Å; V320-V337 HydrophobicContact CB-CG1 4.49Å; V320-V337 HydrophobicContact CG1-CG2 4.29Å; V320-V337 HydrophobicContact CG2-CG1 3.83Å; V320-V337 HydrophobicContact CG2-CG2 4.31Å; D333-V337 PolarHBondContact O-N 3.09Å; D333-V337 VanDerWaalsContact O-N 3.17Å; E334-V337 PolarHBondContact O-N 2.86Å; A335-V337 VanDerWaalsContact C-N 3.34Å; A335-V337 PolarHBondContact O-N 3.05Å; V337-F340 WeakPolarHBondContact O-CB 3.24Å; V337-F340 PolarHBondContact O-N 3.35Å; V337-S341 PolarHBondContact O-N 3.36Å |
| 338 | R | 96.8 | Very high | 94.4 | Very high | 57 Ų | 57 | 46 Ų | 46 | 22% | 0.215 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.5 | -47.4 | 178.1 | -69.1 | 175.2 | 176.6 | -69.7 | 0.8 | 111.7 | A313 D314 E334 A335 A336 F340 S341 Y342 | A313-R338 HydrophobicContact CB-CB 4.38Å; A313-R338 HydrophobicContact CB-CG 4.31Å; D314-R338 IonicContact OD1-CZ 3.92Å; D314-R338 IonicContact OD1-NH1 3.64Å; D314-R338 PolarHBondContact OD1-NH1 2.8Å; D314-R338 IonicContact OD1-NH2 3.95Å; D314-R338 PolarHBondContact OD1-NH2 2.98Å; E334-R338 WeakPolarHBondContact O-CG 3.39Å; E334-R338 PolarHBondContact O-N 3.43Å; A335-R338 PolarHBondContact O-N 2.86Å; A336-R338 VanDerWaalsContact C-N 3.32Å; A336-R338 PolarHBondContact O-N 2.92Å; R338-F340 VanDerWaalsContact C-N 3.3Å; R338-F340 PolarHBondContact O-N 2.89Å; R338-S341 WeakPolarHBondContact O-CB 3.34Å; R338-S341 PolarHBondContact O-N 2.93Å; R338-S341 VanDerWaalsContact O-N 3.15Å; R338-Y342 HydrophobicContact CB-CE2 4.37Å; R338-Y342 WeakPolarHBondContact O-CD1 3.36Å; R338-Y342 WeakPolarHBondContact O-CD2 3.24Å; R338-Y342 VanDerWaalsContact O-CG 3.23Å; R338-Y342 PolarHBondContact O-N 3.11Å |
| 339 | I | 95.3 | Very high | 94.9 | Very high | 45 Ų | 45 | 38.6 Ų | 38.6 | 23% | 0.231 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.6 | -40.2 | 176.9 | -66.7 | 166.8 | 0 | 0 | 0 | 111 | A335 A336 S341 Y342 T343 L383 L386 | A335-I339 WeakPolarHBondContact O-CG1 3.01Å; A335-I339 PolarHBondContact O-N 2.94Å; A336-I339 PolarHBondContact O-N 3.42Å; I339-S341 VanDerWaalsContact C-N 3.31Å; I339-S341 PolarHBondContact O-N 3.11Å; I339-Y342 PolarHBondContact O-N 3.01Å; I339-T343 HydrophobicContact CG2-CG2 4.41Å; I339-T343 WeakPolarHBondContact O-CG2 3.5Å; I339-T343 PolarHBondContact O-N 2.94Å; I339-T343 PolarHBondContact O-OG1 3.37Å; I339-L383 HydrophobicContact CD1-CD1 4.35Å; I339-L383 HydrophobicContact CG2-CD1 4.41Å; I339-L383 HydrophobicContact CG2-CD2 3.62Å; I339-L386 HydrophobicContact CD1-CD1 4.37Å; I339-L386 HydrophobicContact CG1-CD1 4.48Å; I339-L386 HydrophobicContact CG2-CD1 3.5Å; I339-L386 VanDerWaalsContact CG2-CD1 3.5Å |
| 340 | F | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.7 | -43.5 | 174.1 | 177.6 | -108.4 | 0 | 0 | 0 | 111.4 | K149 C152 A290 F291 L294 L316 A336 V337 R338 T343 A344 | K149-F340 HydrophobicContact CB-CD2 4.49Å; K149-F340 HydrophobicContact CB-CE2 3.73Å; K149-F340 HydrophobicContact CB-CZ 4.28Å; K149-F340 HydrophobicContact CG-CE2 4.31Å; K149-F340 HydrophobicContact CG-CZ 4.42Å; C152-F340 HydrophobicContact CB-CD2 3.64Å; C152-F340 HydrophobicContact CB-CE2 3.87Å; A290-F340 HydrophobicContact CB-CD1 3.85Å; A290-F340 HydrophobicContact CB-CE1 3.96Å; A290-F340 WeakPolarHBondContact O-CE1 3.28Å; F291-F340 HydrophobicContact CD1-CE2 4.47Å; F291-F340 AromaticContact CD1-CZ 3.98Å; F291-F340 HydrophobicContact CD1-CZ 3.98Å; F291-F340 HydrophobicContact CD2-CE2 4.19Å; F291-F340 HydrophobicContact CD2-CZ 4.02Å; F291-F340 HydrophobicContact CE1-CE2 4.07Å; F291-F340 HydrophobicContact CE1-CZ 4.01Å; F291-F340 AromaticContact CE2-CE2 3.76Å; F291-F340 HydrophobicContact CE2-CE2 3.76Å; F291-F340 HydrophobicContact CE2-CZ 4.04Å; F291-F340 AromaticContact CG-CZ 3.99Å; F291-F340 HydrophobicContact CG-CZ 3.99Å; F291-F340 AromaticContact CZ-CE2 3.68Å; F291-F340 HydrophobicContact CZ-CE2 3.68Å; F291-F340 HydrophobicContact CZ-CZ 4.03Å; L294-F340 HydrophobicContact CB-CE1 3.92Å; L294-F340 HydrophobicContact CB-CZ 4.33Å; L294-F340 HydrophobicContact CD2-CE1 3.97Å; L294-F340 HydrophobicContact CD2-CZ 3.72Å; L294-F340 HydrophobicContact CG-CE1 4.4Å; L316-F340 HydrophobicContact CD2-CD1 3.9Å; L316-F340 HydrophobicContact CD2-CE1 4.39Å; A336-F340 WeakPolarHBondContact O-CB 3.22Å; A336-F340 PolarHBondContact O-N 2.82Å; V337-F340 WeakPolarHBondContact O-CB 3.24Å; V337-F340 PolarHBondContact O-N 3.35Å; R338-F340 VanDerWaalsContact C-N 3.3Å; R338-F340 PolarHBondContact O-N 2.89Å; F340-T343 PolarHBondContact O-N 2.81Å; F340-A344 WeakPolarHBondContact O-CA 3.25Å; F340-A344 WeakPolarHBondContact O-CB 3.22Å; F340-A344 PolarHBondContact O-N 3.37Å |
| 341 | S | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.2 | -49.3 | 172.4 | -168.5 | 0 | 0 | 0 | 0 | 112.1 | P305 A313 V337 R338 I339 T343 A344 | P305-S341 WeakPolarHBondContact CB-OG 3.49Å; A313-S341 WeakPolarHBondContact CA-OG 3.33Å; A313-S341 PolarHBondContact N-OG 2.95Å; V337-S341 PolarHBondContact O-N 3.36Å; R338-S341 WeakPolarHBondContact O-CB 3.34Å; R338-S341 PolarHBondContact O-N 2.93Å; R338-S341 VanDerWaalsContact O-N 3.15Å; I339-S341 VanDerWaalsContact C-N 3.31Å; I339-S341 PolarHBondContact O-N 3.11Å; S341-T343 PolarHBondContact O-N 2.93Å; S341-A344 WeakPolarHBondContact O-CB 3.38Å; S341-A344 PolarHBondContact O-N 3.46Å |
| 342 | Y | 95.6 | Very high | 96.6 | Very high | 28 Ų | 28 | 23 Ų | 23 | 11% | 0.11 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.5 | -33.9 | -178 | -62.7 | -22 | 0 | 0 | 0 | 113.4 | P307 W308 S309 Q310 A313 R338 I339 | P307-Y342 WeakPolarHBondContact CA-O 3.45Å; W308-Y342 VanDerWaalsContact CA-CD1 3.49Å; W308-Y342 HydrophobicContact CD2-CD2 4.33Å; W308-Y342 HydrophobicContact CD2-CG 4.32Å; W308-Y342 AromaticContact CE3-CD2 3.82Å; W308-Y342 HydrophobicContact CE3-CD2 3.82Å; W308-Y342 HydrophobicContact CE3-CE2 4.37Å; W308-Y342 HydrophobicContact CE3-CG 4.23Å; W308-Y342 HydrophobicContact CG-CG 4.5Å; W308-Y342 HydrophobicContact CZ3-CD2 4.13Å; W308-Y342 PolarHBondContact N-O 3.38Å; S309-Y342 WeakPolarHBondContact O-CE1 3.43Å; Q310-Y342 PolarHBondContact OE1-OH 3.35Å; A313-Y342 HydrophobicContact CB-CD1 4.06Å; A313-Y342 HydrophobicContact CB-CE1 3.43Å; A313-Y342 VanDerWaalsContact CB-CE1 3.43Å; R338-Y342 HydrophobicContact CB-CE2 4.37Å; R338-Y342 WeakPolarHBondContact O-CD1 3.36Å; R338-Y342 WeakPolarHBondContact O-CD2 3.24Å; R338-Y342 VanDerWaalsContact O-CG 3.23Å; R338-Y342 PolarHBondContact O-N 3.11Å; I339-Y342 PolarHBondContact O-N 3.01Å |
| 343 | T | 95.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -104.8 | 5.8 | -175 | 63.2 | 0 | 0 | 0 | 0 | 113.1 | G150 I339 F340 S341 R345 G346 V411 | G150-T343 VanDerWaalsContact CA-O 3.29Å; G150-T343 WeakPolarHBondContact CA-O 3.43Å; G150-T343 PolarHBondContact N-O 2.82Å; I339-T343 HydrophobicContact CG2-CG2 4.41Å; I339-T343 WeakPolarHBondContact O-CG2 3.5Å; I339-T343 PolarHBondContact O-N 2.94Å; I339-T343 PolarHBondContact O-OG1 3.37Å; F340-T343 PolarHBondContact O-N 2.81Å; S341-T343 PolarHBondContact O-N 2.93Å; T343-R345 PolarHBondContact O-N 3.39Å; T343-R345 VanDerWaalsContact O-N 3.09Å; T343-G346 WeakPolarHBondContact O-CA 3.31Å; T343-G346 PolarHBondContact O-N 2.96Å; T343-V411 HydrophobicContact CG2-CB 4.49Å; T343-V411 HydrophobicContact CG2-CG1 3.96Å; T343-V411 HydrophobicContact CG2-CG2 4.46Å |
| 344 | A | 96.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.008 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -25.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | K149 L294 P305 F340 S341 | K149-A344 WeakPolarHBondContact CD-O 3.46Å; L294-A344 HydrophobicContact CD1-CB 4.2Å; P305-A344 HydrophobicContact CB-CB 4.45Å; P305-A344 HydrophobicContact CG-CB 4.2Å; F340-A344 WeakPolarHBondContact O-CA 3.25Å; F340-A344 WeakPolarHBondContact O-CB 3.22Å; F340-A344 PolarHBondContact O-N 3.37Å; S341-A344 WeakPolarHBondContact O-CB 3.38Å; S341-A344 PolarHBondContact O-N 3.46Å |
| 345 | R | 96.2 | Very high | 97.3 | Very high | 92 Ų | 92 | 14.9 Ų | 14.9 | 35% | 0.347 | 8% | 0.076 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | -3 | 174.6 | -66.5 | -170.4 | -167.8 | -171.1 | 1.4 | 113.6 | L304 P305 H306 T343 V410 | L304-R345 HydrophobicContact CB-CG 3.72Å; L304-R345 HydrophobicContact CD1-CG 4.07Å; L304-R345 PolarHBondContact O-NE 3.12Å; L304-R345 PolarHBondContact O-NH2 2.91Å; P305-R345 WeakPolarHBondContact O-CD 3.49Å; P305-R345 WeakPolarHBondContact O-CG 3.45Å; P305-R345 PolarHBondContact O-NE 2.58Å; H306-R345 PolarHBondContact CD2-NH2 3.35Å; H306-R345 VanDerWaalsContact CD2-NH2 3.29Å; H306-R345 PolarHBondContact NE2-NH2 3.12Å; T343-R345 PolarHBondContact O-N 3.39Å; T343-R345 VanDerWaalsContact O-N 3.09Å; R345-V410 HydrophobicContact CB-CG1 4.09Å |
| 346 | G | 97 | Very high | 97.5 | Very high | 5 Ų | 5 | 12.1 Ų | 12.1 | 5% | 0.052 | 5% | 0.053 | C | C | . | . | trans | -72.6 | 143.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G150 T343 A407 | G150-G346 PolarHBondContact N-O 2.87Å; T343-G346 WeakPolarHBondContact O-CA 3.31Å; T343-G346 PolarHBondContact O-N 2.96Å; G346-A407 VanDerWaalsContact CA-O 3.24Å; G346-A407 WeakPolarHBondContact CA-O 3.36Å | ||
| 347 | D | 98.1 | Very high | 97.7 | Very high | 19 Ų | 19 | 12 Ų | 12 | 10% | 0.102 | 5% | 0.053 | C | C | . | . | trans | -135.5 | 111.5 | 175.4 | -175 | 20.1 | 0 | 0 | 0 | 108.8 | S71 N352 A407 | S71-D347 PolarHBondContact OG-OD1 2.86Å; S71-D347 PolarHBondContact OG-OD2 2.83Å; D347-N352 PolarHBondContact OD1-ND2 2.82Å; D347-A407 HydrophobicContact CB-CB 3.61Å; D347-A407 PolarHBondContact N-O 3.38Å | ||
| 348 | L | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 12.9 Ų | 12.9 | 1% | 0.005 | 6% | 0.057 | C | C | . | . | trans | -116.8 | 121.3 | -167.7 | -61.1 | -177 | 0 | 0 | 0 | 110.3 | G150 L151 P350 M351 N352 Q408 V411 F412 | G150-L348 WeakPolarHBondContact O-CD1 3.25Å; L151-L348 HydrophobicContact CD2-CD1 3.5Å; L151-L348 HydrophobicContact CG-CD1 3.99Å; L348-P350 VanDerWaalsContact C-CD 3.48Å; L348-P350 VanDerWaalsContact C-N 3.32Å; L348-M351 HydrophobicContact CB-CB 4.2Å; L348-M351 HydrophobicContact CB-CG 4.12Å; L348-M351 HydrophobicContact CD1-CG 4.32Å; L348-M351 PolarHBondContact O-N 2.91Å; L348-M351 VanDerWaalsContact O-N 3.11Å; L348-N352 PolarHBondContact O-N 2.91Å; L348-Q408 HydrophobicContact CD2-CB 4.04Å; L348-Q408 HydrophobicContact CD2-CG 3.81Å; L348-V411 HydrophobicContact CD1-CG1 4.35Å; L348-V411 HydrophobicContact CD1-CG2 4.38Å; L348-V411 HydrophobicContact CD2-CB 4.4Å; L348-V411 HydrophobicContact CD2-CG2 4.09Å; L348-V411 HydrophobicContact CG-CG2 4.33Å; L348-F412 HydrophobicContact CD1-CE2 3.99Å; L348-F412 HydrophobicContact CD1-CZ 4.2Å; L348-F412 HydrophobicContact CD2-CD2 4.42Å; L348-F412 HydrophobicContact CD2-CE2 3.83Å | ||
| 349 | A | 98.7 | Very high | 97.9 | Very high | 3 Ų | 3 | 10.1 Ų | 10.1 | 3% | 0.025 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -51.1 | -42.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | M351 N352 A353 N440 L443 | A349-M351 PolarHBondContact O-N 3.47Å; A349-N352 PolarHBondContact O-N 3.44Å; A349-A353 WeakPolarHBondContact O-CB 3.28Å; A349-A353 PolarHBondContact O-N 3.24Å; A349-N440 PolarHBondContact O-OD1 2.73Å; A349-L443 HydrophobicContact CB-CB 3.57Å; A349-L443 HydrophobicContact CB-CD1 3.52Å; A349-L443 HydrophobicContact CB-CG 4.2Å |
| 350 | P | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -64.6 | -37.8 | 178.6 | -27.4 | 39.8 | 0 | 0 | 0 | 114.1 | L348 A353 F354 I444 G864 C867 L868 F871 | L348-P350 VanDerWaalsContact C-CD 3.48Å; L348-P350 VanDerWaalsContact C-N 3.32Å; P350-A353 PolarHBondContact O-N 2.91Å; P350-F354 PolarHBondContact O-N 3.5Å; P350-I444 HydrophobicContact CG-CD1 3.79Å; P350-I444 HydrophobicContact CG-CG1 4.29Å; P350-G864 WeakPolarHBondContact CB-O 3.29Å; P350-G864 WeakPolarHBondContact O-CA 3.27Å; P350-C867 HydrophobicContact CB-CB 3.78Å; P350-C867 HydrophobicContact CG-CB 3.54Å; P350-L868 HydrophobicContact CB-CD2 3.91Å; P350-L868 HydrophobicContact CB-CG 4.01Å; P350-F871 HydrophobicContact CB-CE2 4.49Å; P350-F871 HydrophobicContact CG-CE2 3.79Å; P350-F871 HydrophobicContact CG-CZ 3.98Å |
| 351 | M | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -67.3 | -42.1 | 176 | -72.2 | -67.8 | -65.6 | 0 | 0 | 110.9 | T148 G150 C152 L348 A349 F354 F355 F380 A382 L868 | T148-M351 HydrophobicContact CG2-CB 4.26Å; G150-M351 WeakPolarHBondContact O-CG 3.21Å; C152-M351 VanDerWaalsContact C-CE 3.47Å; L348-M351 HydrophobicContact CB-CB 4.2Å; L348-M351 HydrophobicContact CB-CG 4.12Å; L348-M351 HydrophobicContact CD1-CG 4.32Å; L348-M351 PolarHBondContact O-N 2.91Å; L348-M351 VanDerWaalsContact O-N 3.11Å; A349-M351 PolarHBondContact O-N 3.47Å; M351-F354 PolarHBondContact O-N 3.23Å; M351-F355 HydrophobicContact CE-CD2 4.22Å; M351-F355 HydrophobicContact CE-CE2 3.88Å; M351-F355 PolarHBondContact O-N 3.04Å; M351-F380 HydrophobicContact CE-CD1 3.92Å; M351-F380 HydrophobicContact CE-CE1 4.19Å; M351-F380 HydrophobicContact SD-CD1 4.1Å; M351-F380 HydrophobicContact SD-CE1 3.74Å; M351-A382 HydrophobicContact SD-CB 4.3Å; M351-L868 HydrophobicContact CG-CD2 4.27Å; M351-L868 HydrophobicContact SD-CD1 4.21Å; M351-L868 HydrophobicContact SD-CD2 4.16Å |
| 352 | N | 98.9 | Very high | 98.1 | Very high | 2 Ų | 2 | 8.6 Ų | 8.6 | 1% | 0.011 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -66.9 | -38.4 | 176.6 | -68.2 | -14.2 | 0 | 0 | 0 | 112.1 | L40 E43 S71 T148 D347 L348 A349 G356 | L40-N352 HydrophobicContact CB-CB 4.44Å; L40-N352 PolarHBondContact N-ND2 3.49Å; E43-N352 WeakPolarHBondContact CG-O 3.34Å; S71-N352 WeakPolarHBondContact CB-ND2 3.5Å; S71-N352 PolarHBondContact OG-ND2 3.39Å; S71-N352 VanDerWaalsContact OG-ND2 3.16Å; T148-N352 WeakPolarHBondContact CB-OD1 3.33Å; T148-N352 PolarHBondContact OG1-OD1 3.38Å; D347-N352 PolarHBondContact OD1-ND2 2.82Å; L348-N352 PolarHBondContact O-N 2.91Å; A349-N352 PolarHBondContact O-N 3.44Å; N352-G356 VanDerWaalsContact O-CA 3.25Å; N352-G356 WeakPolarHBondContact O-CA 3.35Å; N352-G356 PolarHBondContact O-N 3.13Å |
| 353 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -60.6 | -45.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | A349 P350 G357 A860 | A349-A353 WeakPolarHBondContact O-CB 3.28Å; A349-A353 PolarHBondContact O-N 3.24Å; P350-A353 PolarHBondContact O-N 2.91Å; A353-G357 PolarHBondContact O-N 3.4Å; A353-A860 CarbonylContact O-C 3.52Å |
| 354 | F | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -61.9 | -61.6 | 176.7 | 179.7 | -118.1 | 0 | 0 | 0 | 112 | P350 M351 G356 G357 L358 F378 F380 A861 L865 F895 | P350-F354 PolarHBondContact O-N 3.5Å; M351-F354 PolarHBondContact O-N 3.23Å; F354-G356 VanDerWaalsContact C-N 3.32Å; F354-G356 PolarHBondContact O-N 3Å; F354-G357 PolarHBondContact O-N 2.84Å; F354-L358 HydrophobicContact CD2-CD1 3.86Å; F354-L358 HydrophobicContact CE1-CD2 4.03Å; F354-L358 HydrophobicContact CE2-CD1 3.59Å; F354-L358 HydrophobicContact CE2-CD2 4.08Å; F354-L358 HydrophobicContact CZ-CD1 4.1Å; F354-L358 HydrophobicContact CZ-CD2 3.69Å; F354-L358 VanDerWaalsContact O-CD1 3.25Å; F354-L358 WeakPolarHBondContact O-CD1 3.28Å; F354-L358 PolarHBondContact O-N 3.02Å; F354-L358 VanDerWaalsContact O-N 3.13Å; F354-F378 AromaticContact CE1-CE1 3.87Å; F354-F378 HydrophobicContact CE1-CE1 3.87Å; F354-F378 HydrophobicContact CE1-CZ 4.02Å; F354-F378 HydrophobicContact CZ-CE1 4.13Å; F354-F378 HydrophobicContact CZ-CZ 4.01Å; F354-F380 HydrophobicContact CD1-CD1 4.02Å; F354-F380 HydrophobicContact CD1-CE1 4.17Å; F354-F380 HydrophobicContact CD1-CG 4.31Å; F354-F380 HydrophobicContact CE1-CB 4.13Å; F354-F380 AromaticContact CE1-CD1 3.9Å; F354-F380 HydrophobicContact CE1-CD1 3.9Å; F354-F380 AromaticContact CE1-CD2 3.91Å; F354-F380 HydrophobicContact CE1-CD2 3.91Å; F354-F380 HydrophobicContact CE1-CE1 4.26Å; F354-F380 HydrophobicContact CE1-CE2 4.25Å; F354-F380 AromaticContact CE1-CG 3.71Å; F354-F380 HydrophobicContact CE1-CG 3.71Å; F354-F380 HydrophobicContact CE1-CZ 4.43Å; F354-F380 HydrophobicContact CZ-CD2 4.39Å; F354-A861 HydrophobicContact CD2-CB 4.16Å; F354-L865 HydrophobicContact CD2-CD1 4.01Å; F354-L865 HydrophobicContact CD2-CD2 3.93Å; F354-L865 HydrophobicContact CD2-CG 3.75Å; F354-L865 HydrophobicContact CE2-CD1 3.88Å; F354-L865 HydrophobicContact CE2-CD2 4.03Å; F354-L865 HydrophobicContact CE2-CG 4.05Å; F354-L865 HydrophobicContact CG-CD2 4.3Å; F354-L865 HydrophobicContact CG-CG 4.43Å; F354-L865 HydrophobicContact CZ-CD2 4.47Å; F354-F895 AromaticContact CE2-CE2 3.78Å; F354-F895 HydrophobicContact CE2-CE2 3.78Å; F354-F895 HydrophobicContact CE2-CZ 4.34Å; F354-F895 HydrophobicContact CZ-CD2 4.32Å; F354-F895 AromaticContact CZ-CE2 3.62Å; F354-F895 HydrophobicContact CZ-CE2 3.62Å; F354-F895 AromaticContact CZ-CZ 3.85Å; F354-F895 HydrophobicContact CZ-CZ 3.85Å |
| 355 | F | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -66.4 | -32.6 | -178 | -86.8 | -83.6 | 0 | 0 | 0 | 113.3 | L40 V146 T148 G153 L155 M351 L358 A359 F378 F380 | L40-F355 HydrophobicContact CD1-CB 3.78Å; V146-F355 HydrophobicContact CG2-CB 3.96Å; V146-F355 HydrophobicContact CG2-CD1 3.73Å; V146-F355 HydrophobicContact CG2-CG 4.24Å; T148-F355 HydrophobicContact CG2-CB 3.99Å; T148-F355 HydrophobicContact CG2-CD2 3.79Å; T148-F355 HydrophobicContact CG2-CG 4.03Å; G153-F355 VanDerWaalsContact CA-CZ 3.44Å; G153-F355 WeakPolarHBondContact O-CZ 3.36Å; L155-F355 HydrophobicContact CB-CD1 4.15Å; L155-F355 HydrophobicContact CB-CE1 4.02Å; M351-F355 HydrophobicContact CE-CD2 4.22Å; M351-F355 HydrophobicContact CE-CE2 3.88Å; M351-F355 PolarHBondContact O-N 3.04Å; F355-L358 PolarHBondContact O-N 3.01Å; F355-A359 VanDerWaalsContact O-CB 3.28Å; F355-A359 WeakPolarHBondContact O-CB 3.25Å; F355-A359 PolarHBondContact O-N 3.05Å; F355-F378 AromaticContact CE1-CD1 3.8Å; F355-F378 HydrophobicContact CE1-CD1 3.8Å; F355-F378 AromaticContact CE1-CE1 3.9Å; F355-F378 HydrophobicContact CE1-CE1 3.9Å; F355-F378 HydrophobicContact CZ-CD1 4.22Å; F355-F378 AromaticContact CZ-CE1 3.97Å; F355-F378 HydrophobicContact CZ-CE1 3.97Å; F355-F380 HydrophobicContact CE2-CB 3.99Å; F355-F380 HydrophobicContact CE2-CD1 4Å; F355-F380 HydrophobicContact CE2-CG 4.4Å; F355-F380 HydrophobicContact CZ-CB 3.75Å |
| 356 | G | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 3.5 Ų | 3.5 | 0% | 0 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -67.8 | -37.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | N352 F354 A360 | N352-G356 VanDerWaalsContact O-CA 3.25Å; N352-G356 WeakPolarHBondContact O-CA 3.35Å; N352-G356 PolarHBondContact O-N 3.13Å; F354-G356 VanDerWaalsContact C-N 3.32Å; F354-G356 PolarHBondContact O-N 3Å; G356-A360 WeakPolarHBondContact O-CB 3.34Å; G356-A360 PolarHBondContact O-N 3.14Å |
| 357 | G | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 4 Ų | 4 | 0% | 0 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -63.8 | -43.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A353 F354 Q361 T857 | A353-G357 PolarHBondContact O-N 3.4Å; F354-G357 PolarHBondContact O-N 2.84Å; G357-Q361 WeakPolarHBondContact O-CB 3.47Å; G357-Q361 PolarHBondContact O-N 2.79Å; G357-T857 WeakPolarHBondContact CA-O 3.37Å; G357-T857 WeakPolarHBondContact O-CB 3.49Å |
| 358 | L | 98.5 | Very high | 98.6 | Very high | 17 Ų | 17 | 3.1 Ų | 3.1 | 9% | 0.089 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -65.2 | -53.5 | 177.7 | -90 | 60.9 | 0 | 0 | 0 | 111.9 | L155 F354 F355 A360 Q361 E362 F378 A861 L890 | L155-L358 HydrophobicContact CD2-CB 4.06Å; F354-L358 HydrophobicContact CD2-CD1 3.86Å; F354-L358 HydrophobicContact CE1-CD2 4.03Å; F354-L358 HydrophobicContact CE2-CD1 3.59Å; F354-L358 HydrophobicContact CE2-CD2 4.08Å; F354-L358 HydrophobicContact CZ-CD1 4.1Å; F354-L358 HydrophobicContact CZ-CD2 3.69Å; F354-L358 VanDerWaalsContact O-CD1 3.25Å; F354-L358 WeakPolarHBondContact O-CD1 3.28Å; F354-L358 PolarHBondContact O-N 3.02Å; F354-L358 VanDerWaalsContact O-N 3.13Å; F355-L358 PolarHBondContact O-N 3.01Å; L358-A360 VanDerWaalsContact C-N 3.35Å; L358-A360 PolarHBondContact O-N 3.44Å; L358-Q361 WeakPolarHBondContact O-CA 3.46Å; L358-Q361 WeakPolarHBondContact O-CB 3.32Å; L358-Q361 PolarHBondContact O-N 3.09Å; L358-E362 PolarHBondContact O-N 3.45Å; L358-F378 HydrophobicContact CD2-CD1 3.95Å; L358-F378 HydrophobicContact CD2-CE1 3.44Å; L358-F378 VanDerWaalsContact CD2-CE1 3.44Å; L358-F378 HydrophobicContact CD2-CZ 4.16Å; L358-A861 HydrophobicContact CD1-CB 3.75Å; L358-L890 HydrophobicContact CD1-CD2 3.88Å; L358-L890 HydrophobicContact CG-CD2 4.18Å |
| 359 | A | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 3.1 Ų | 3.1 | 0% | 0 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -63.4 | -39.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I44 V146 L155 F355 Q361 E362 V363 | I44-A359 HydrophobicContact CD1-CB 3.97Å; I44-A359 HydrophobicContact CG1-CB 4.01Å; V146-A359 HydrophobicContact CB-CB 4.2Å; V146-A359 HydrophobicContact CG1-CB 3.9Å; V146-A359 HydrophobicContact CG2-CB 4.19Å; L155-A359 HydrophobicContact CD1-CB 4Å; F355-A359 VanDerWaalsContact O-CB 3.28Å; F355-A359 WeakPolarHBondContact O-CB 3.25Å; F355-A359 PolarHBondContact O-N 3.05Å; A359-Q361 VanDerWaalsContact C-N 3.29Å; A359-Q361 PolarHBondContact O-N 3.42Å; A359-E362 PolarHBondContact O-N 3.04Å; A359-E362 VanDerWaalsContact O-N 3.14Å; A359-V363 WeakPolarHBondContact O-CG2 3.23Å; A359-V363 PolarHBondContact O-N 3.42Å |
| 360 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 4.6 Ų | 4.6 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -64 | -35.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I44 N47 V48 G356 L358 E362 V363 I364 T857 | I44-A360 HydrophobicContact CG2-CB 4.37Å; N47-A360 HydrophobicContact CB-CB 3.36Å; V48-A360 HydrophobicContact CG2-CB 3.85Å; G356-A360 WeakPolarHBondContact O-CB 3.34Å; G356-A360 PolarHBondContact O-N 3.14Å; L358-A360 VanDerWaalsContact C-N 3.35Å; L358-A360 PolarHBondContact O-N 3.44Å; A360-E362 VanDerWaalsContact C-N 3.35Å; A360-V363 WeakPolarHBondContact O-CB 3.3Å; A360-V363 PolarHBondContact O-N 2.62Å; A360-I364 WeakPolarHBondContact O-CG1 3.33Å; A360-I364 PolarHBondContact O-N 3.26Å; A360-I364 VanDerWaalsContact O-N 3.08Å; A360-T857 HydrophobicContact CB-CG2 3.9Å |
| 361 | Q | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 4.7 Ų | 4.7 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -63.5 | -41.5 | 171.6 | -170.1 | 66.8 | 55.1 | 0 | 0 | 111.3 | G357 L358 A359 V363 I364 K365 T857 L890 | G357-Q361 WeakPolarHBondContact O-CB 3.47Å; G357-Q361 PolarHBondContact O-N 2.79Å; L358-Q361 WeakPolarHBondContact O-CA 3.46Å; L358-Q361 WeakPolarHBondContact O-CB 3.32Å; L358-Q361 PolarHBondContact O-N 3.09Å; A359-Q361 VanDerWaalsContact C-N 3.29Å; A359-Q361 PolarHBondContact O-N 3.42Å; Q361-V363 VanDerWaalsContact C-N 3.3Å; Q361-V363 PolarHBondContact O-N 3.11Å; Q361-I364 WeakPolarHBondContact O-CA 3.25Å; Q361-I364 WeakPolarHBondContact O-CB 3.47Å; Q361-I364 PolarHBondContact O-N 3.04Å; Q361-I364 VanDerWaalsContact O-N 3.09Å; Q361-K365 WeakPolarHBondContact O-CG 3.47Å; Q361-K365 PolarHBondContact O-N 2.8Å; Q361-T857 HydrophobicContact CB-CG2 4.14Å; Q361-T857 PolarHBondContact OE1-OG1 3.36Å; Q361-L890 HydrophobicContact CB-CB 4.5Å; Q361-L890 HydrophobicContact CB-CD1 4.16Å; Q361-L890 HydrophobicContact CG-CB 3.85Å; Q361-L890 HydrophobicContact CG-CD1 4.28Å |
| 362 | E | 98.8 | Very high | 98 | Very high | 12 Ų | 12 | 5.6 Ų | 5.6 | 6% | 0.056 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -63.4 | -34.2 | 175.6 | -63 | -53.4 | 129.5 | 0 | 0 | 112.5 | I144 L155 F159 L358 A359 A360 I364 K365 A366 P373 L374 | I144-E362 HydrophobicContact CD1-CB 3.85Å; L155-E362 HydrophobicContact CD2-CG 4.17Å; F159-E362 HydrophobicContact CZ-CB 4.38Å; L358-E362 PolarHBondContact O-N 3.45Å; A359-E362 PolarHBondContact O-N 3.04Å; A359-E362 VanDerWaalsContact O-N 3.14Å; A360-E362 VanDerWaalsContact C-N 3.35Å; E362-I364 VanDerWaalsContact C-N 3.34Å; E362-I364 PolarHBondContact O-N 3.11Å; E362-K365 PolarHBondContact O-N 3.39Å; E362-K365 WeakPolarHBondContact OE1-CE 3.38Å; E362-K365 IonicContact OE1-NZ 3.6Å; E362-K365 PolarHBondContact OE1-NZ 3.21Å; E362-K365 IonicContact OE2-NZ 2.87Å; E362-A366 VanDerWaalsContact O-CB 3.31Å; E362-A366 WeakPolarHBondContact O-CB 3.28Å; E362-A366 PolarHBondContact O-N 2.9Å; E362-P373 WeakPolarHBondContact OE2-CA 3.3Å; E362-L374 HydrophobicContact CG-CB 4.49Å; E362-L374 PolarHBondContact OE2-N 2.98Å |
| 363 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -61.5 | -42.2 | 170.1 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | V32 V48 V118 V120 I144 A359 A360 Q361 K365 A366 S367 | V32-V363 HydrophobicContact CG1-CG1 3.94Å; V32-V363 HydrophobicContact CG2-CG1 3.88Å; V48-V363 HydrophobicContact CG1-CG1 3.97Å; V48-V363 HydrophobicContact CG2-CB 3.9Å; V48-V363 HydrophobicContact CG2-CG1 3.8Å; V48-V363 HydrophobicContact CG2-CG2 4.1Å; V118-V363 HydrophobicContact CG1-CB 4.49Å; V118-V363 HydrophobicContact CG1-CG1 4.23Å; V118-V363 HydrophobicContact CG1-CG2 4.12Å; V120-V363 HydrophobicContact CG2-CG2 3.51Å; I144-V363 HydrophobicContact CD1-CB 4.5Å; I144-V363 HydrophobicContact CD1-CG2 3.72Å; A359-V363 WeakPolarHBondContact O-CG2 3.23Å; A359-V363 PolarHBondContact O-N 3.42Å; A360-V363 WeakPolarHBondContact O-CB 3.3Å; A360-V363 PolarHBondContact O-N 2.62Å; Q361-V363 VanDerWaalsContact C-N 3.3Å; Q361-V363 PolarHBondContact O-N 3.11Å; V363-K365 VanDerWaalsContact C-N 3.34Å; V363-A366 PolarHBondContact O-N 3.03Å; V363-S367 WeakPolarHBondContact O-CB 3.39Å; V363-S367 PolarHBondContact O-N 3.39Å; V363-S367 PolarHBondContact O-OG 3.36Å |
| 364 | I | 98.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 6 Ų | 6 | 1% | 0.005 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -62 | -43.8 | 175.5 | -65.8 | 167.5 | 0 | 0 | 0 | 110.3 | L19 M27 S51 A360 Q361 E362 S367 S368 I855 T857 | L19-I364 HydrophobicContact CD1-CG2 4.07Å; L19-I364 HydrophobicContact CD2-CG2 3.89Å; M27-I364 HydrophobicContact CE-CB 4.49Å; M27-I364 HydrophobicContact CE-CG1 3.99Å; M27-I364 HydrophobicContact CE-CG2 4.07Å; M27-I364 HydrophobicContact SD-CG2 3.8Å; S51-I364 VanDerWaalsContact OG-CD1 3.25Å; S51-I364 WeakPolarHBondContact OG-CD1 3.4Å; A360-I364 WeakPolarHBondContact O-CG1 3.33Å; A360-I364 PolarHBondContact O-N 3.26Å; A360-I364 VanDerWaalsContact O-N 3.08Å; Q361-I364 WeakPolarHBondContact O-CA 3.25Å; Q361-I364 WeakPolarHBondContact O-CB 3.47Å; Q361-I364 PolarHBondContact O-N 3.04Å; Q361-I364 VanDerWaalsContact O-N 3.09Å; E362-I364 VanDerWaalsContact C-N 3.34Å; E362-I364 PolarHBondContact O-N 3.11Å; I364-S367 PolarHBondContact O-N 3.36Å; I364-S367 PolarHBondContact O-OG 3.05Å; I364-S367 VanDerWaalsContact O-OG 3.13Å; I364-S368 VanDerWaalsContact O-CB 3.26Å; I364-S368 WeakPolarHBondContact O-CB 3.38Å; I364-S368 PolarHBondContact O-N 3.28Å; I364-S368 PolarHBondContact O-OG 2.88Å; I364-I855 HydrophobicContact CD1-CD1 3.85Å; I364-T857 HydrophobicContact CD1-CG2 3.83Å |
| 365 | K | 98.4 | Very high | 97.2 | Very high | 4 Ų | 4 | 9.4 Ų | 9.4 | 2% | 0.017 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -61.5 | -50.3 | 177 | -61.5 | -177.5 | -169.7 | 172.4 | 0 | 110.8 | F159 F163 Q361 E362 V363 S367 S368 G369 K370 F371 T372 P373 L890 | F159-K365 HydrophobicContact CE2-CB 4.39Å; F163-K365 WeakPolarHBondContact CZ-O 3.32Å; Q361-K365 WeakPolarHBondContact O-CG 3.47Å; Q361-K365 PolarHBondContact O-N 2.8Å; E362-K365 PolarHBondContact O-N 3.39Å; E362-K365 WeakPolarHBondContact OE1-CE 3.38Å; E362-K365 IonicContact OE1-NZ 3.6Å; E362-K365 PolarHBondContact OE1-NZ 3.21Å; E362-K365 IonicContact OE2-NZ 2.87Å; V363-K365 VanDerWaalsContact C-N 3.34Å; K365-S367 VanDerWaalsContact C-N 3.26Å; K365-S367 PolarHBondContact O-N 3.13Å; K365-S368 PolarHBondContact O-N 2.82Å; K365-G369 PolarHBondContact O-N 3.49Å; K365-K370 WeakPolarHBondContact CG-O 3.34Å; K365-F371 HydrophobicContact CD-CB 4.08Å; K365-F371 HydrophobicContact CG-CB 4.04Å; K365-T372 PolarHBondContact NZ-O 3.36Å; K365-P373 HydrophobicContact CB-CG 4.44Å; K365-P373 HydrophobicContact CD-CB 4.45Å; K365-L890 WeakPolarHBondContact CE-O 3.14Å; K365-L890 PolarHBondContact NZ-O 3.29Å |
| 366 | A | 98.4 | Very high | 96.9 | Very high | 9 Ų | 9 | 10.3 Ų | 10.3 | 7% | 0.074 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -55.5 | -38.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | V118 K142 F159 E362 V363 | V118-A366 HydrophobicContact CG1-CB 4.25Å; V118-A366 HydrophobicContact CG2-CB 3.92Å; K142-A366 HydrophobicContact CB-CB 3.84Å; K142-A366 HydrophobicContact CG-CB 4.04Å; F159-A366 HydrophobicContact CD1-CB 4.29Å; F159-A366 HydrophobicContact CD2-CB 4.41Å; F159-A366 HydrophobicContact CE1-CB 3.85Å; F159-A366 HydrophobicContact CE2-CB 3.92Å; F159-A366 HydrophobicContact CZ-CB 3.67Å; E362-A366 VanDerWaalsContact O-CB 3.31Å; E362-A366 WeakPolarHBondContact O-CB 3.28Å; E362-A366 PolarHBondContact O-N 2.9Å; V363-A366 PolarHBondContact O-N 3.03Å |
| 367 | S | 97.7 | Very high | 96.7 | Very high | 15 Ų | 15 | 10.7 Ų | 10.7 | 11% | 0.105 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -87 | -19.6 | -177.3 | 52.6 | 0 | 0 | 0 | 0 | 114.6 | V363 I364 K365 | V363-S367 WeakPolarHBondContact O-CB 3.39Å; V363-S367 PolarHBondContact O-N 3.39Å; V363-S367 PolarHBondContact O-OG 3.36Å; I364-S367 PolarHBondContact O-N 3.36Å; I364-S367 PolarHBondContact O-OG 3.05Å; I364-S367 VanDerWaalsContact O-OG 3.13Å; K365-S367 VanDerWaalsContact C-N 3.26Å; K365-S367 PolarHBondContact O-N 3.13Å |
| 368 | S | 97.1 | Very high | 96.4 | Very high | 2 Ų | 2 | 11.1 Ų | 11.1 | 1% | 0.014 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -116.8 | -19.8 | -172.5 | 67.2 | 0 | 0 | 0 | 0 | 115.5 | R26 I364 K365 K370 | R26-S368 WeakPolarHBondContact CD-O 3.34Å; R26-S368 VanDerWaalsContact CZ-O 3.24Å; R26-S368 PolarHBondContact NE-O 3.38Å; R26-S368 PolarHBondContact NH1-O 2.84Å; I364-S368 VanDerWaalsContact O-CB 3.26Å; I364-S368 WeakPolarHBondContact O-CB 3.38Å; I364-S368 PolarHBondContact O-N 3.28Å; I364-S368 PolarHBondContact O-OG 2.88Å; K365-S368 PolarHBondContact O-N 2.82Å; S368-K370 PolarHBondContact O-N 2.93Å; S368-K370 VanDerWaalsContact OG-CB 3.26Å; S368-K370 WeakPolarHBondContact OG-CB 3.45Å; S368-K370 PolarHBondContact OG-N 3.15Å; S368-K370 VanDerWaalsContact OG-N 3.08Å |
| 369 | G | 95.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.053 | C | C | . | . | trans | 63.1 | 12.1 | -167.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | V165 L166 K365 | V165-G369 CarbonylContact C-O 3.54Å; V165-G369 WeakPolarHBondContact CA-O 3.44Å; L166-G369 PolarHBondContact N-O 3.45Å; K365-G369 PolarHBondContact O-N 3.49Å | ||
| 370 | K | 95.5 | Very high | 96 | Very high | 34 Ų | 34 | 10.8 Ų | 10.8 | 15% | 0.148 | 5% | 0.054 | C | C | . | . | B | Isolated β-bridge | trans | -88.6 | 139.3 | 173.6 | -170.9 | 85.4 | -175 | -174.8 | 0 | 108.7 | L19 A23 D167 K365 S368 | L19-K370 WeakPolarHBondContact O-CD 3.31Å; L19-K370 WeakPolarHBondContact O-CE 3.41Å; L19-K370 PolarHBondContact O-NZ 2.96Å; A23-K370 HydrophobicContact CB-CB 4.01Å; A23-K370 HydrophobicContact CB-CD 4.3Å; A23-K370 HydrophobicContact CB-CG 4.35Å; D167-K370 HydrophobicContact CB-CD 3.95Å; D167-K370 VanDerWaalsContact OD2-CE 3.27Å; D167-K370 WeakPolarHBondContact OD2-CE 3.38Å; D167-K370 IonicContact OD2-NZ 3.48Å; D167-K370 PolarHBondContact OD2-NZ 3.33Å; K365-K370 WeakPolarHBondContact CG-O 3.34Å; S368-K370 PolarHBondContact O-N 2.93Å; S368-K370 VanDerWaalsContact OG-CB 3.26Å; S368-K370 WeakPolarHBondContact OG-CB 3.45Å; S368-K370 PolarHBondContact OG-N 3.15Å; S368-K370 VanDerWaalsContact OG-N 3.08Å |
| 371 | F | 96.8 | Very high | 95.9 | Very high | 2 Ų | 2 | 10.8 Ų | 10.8 | 1% | 0.009 | 5% | 0.054 | C | C | . | . | S | Bend | trans | 69.3 | 162.2 | -177.5 | -51.2 | -51.2 | 0 | 0 | 0 | 114.9 | V18 L19 V165 D167 K365 P373 A891 | V18-F371 HydrophobicContact CG1-CE2 4.4Å; V18-F371 HydrophobicContact CG1-CZ 3.95Å; L19-F371 HydrophobicContact CD2-CD2 4.43Å; L19-F371 HydrophobicContact CD2-CE2 3.52Å; L19-F371 HydrophobicContact CD2-CZ 4.11Å; V165-F371 WeakPolarHBondContact CG1-O 3.45Å; D167-F371 WeakPolarHBondContact O-CA 3.12Å; D167-F371 PolarHBondContact O-N 3.38Å; K365-F371 HydrophobicContact CD-CB 4.08Å; K365-F371 HydrophobicContact CG-CB 4.04Å; F371-P373 WeakPolarHBondContact O-CD 3.48Å; F371-A891 HydrophobicContact CB-CB 4.3Å; F371-A891 WeakPolarHBondContact CB-O 3.48Å; F371-A891 HydrophobicContact CD1-CB 3.21Å; F371-A891 HydrophobicContact CE1-CB 3.43Å; F371-A891 VanDerWaalsContact CE1-CB 3.43Å; F371-A891 HydrophobicContact CG-CB 3.8Å; F371-A891 HydrophobicContact CZ-CB 4.22Å |
| 372 | T | 96 | Very high | 95.8 | Very high | 19 Ų | 19 | 11 Ų | 11 | 12% | 0.117 | 6% | 0.056 | C | C | . | . | P | Polyproline II helix | trans | -82.3 | 117.6 | 177 | -54.7 | 0 | 0 | 0 | 0 | 109.9 | R168 K365 A891 | R168-T372 PolarHBondContact O-N 3.09Å; R168-T372 VanDerWaalsContact O-N 3.15Å; R168-T372 PolarHBondContact O-OG1 2.64Å; K365-T372 PolarHBondContact NZ-O 3.36Å; T372-A891 PolarHBondContact N-O 2.93Å |
| 373 | P | 95.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.057 | C | C | . | . | P | Polyproline II helix | trans | -62.7 | 159.6 | 175.6 | -22.7 | 34.2 | 0 | 0 | 0 | 113.6 | F159 F163 V165 L258 F260 E362 K365 F371 Q893 | F159-P373 HydrophobicContact CD2-CB 3.82Å; F159-P373 HydrophobicContact CD2-CG 3.71Å; F159-P373 HydrophobicContact CE2-CB 3.43Å; F159-P373 VanDerWaalsContact CE2-CB 3.43Å; F159-P373 HydrophobicContact CE2-CG 3.58Å; F159-P373 HydrophobicContact CZ-CB 4.32Å; F163-P373 HydrophobicContact CD1-CG 3.94Å; F163-P373 HydrophobicContact CE1-CG 3.54Å; F163-P373 HydrophobicContact CZ-CG 4.42Å; V165-P373 HydrophobicContact CG2-CG 4.4Å; L258-P373 HydrophobicContact CD1-CG 4.36Å; F260-P373 HydrophobicContact CE1-CB 4.44Å; F260-P373 HydrophobicContact CZ-CB 3.89Å; F260-P373 HydrophobicContact CZ-CG 4.24Å; E362-P373 WeakPolarHBondContact OE2-CA 3.3Å; K365-P373 HydrophobicContact CB-CG 4.44Å; K365-P373 HydrophobicContact CD-CB 4.45Å; F371-P373 WeakPolarHBondContact O-CD 3.48Å; P373-Q893 PolarHBondContact O-NE2 3.3Å |
| 374 | L | 93.7 | Very high | 95.4 | Very high | 11 Ų | 11 | 12.8 Ų | 12.8 | 6% | 0.058 | 7% | 0.065 | C | C | . | . | P | Polyproline II helix | trans | -64.5 | 129.7 | 166 | 179.1 | 72.9 | 0 | 0 | 0 | 110.6 | L155 C157 F260 L273 E362 F378 | L155-L374 HydrophobicContact CB-CD2 4.28Å; L155-L374 HydrophobicContact CD2-CD2 3.86Å; L155-L374 HydrophobicContact CG-CD2 3.73Å; C157-L374 WeakPolarHBondContact CB-O 3.42Å; F260-L374 WeakPolarHBondContact CE1-O 3.48Å; L273-L374 HydrophobicContact CD2-CD1 3.78Å; E362-L374 HydrophobicContact CG-CB 4.49Å; E362-L374 PolarHBondContact OE2-N 2.98Å; L374-F378 HydrophobicContact CD1-CB 3.85Å; L374-F378 HydrophobicContact CD2-CB 3.54Å; L374-F378 HydrophobicContact CG-CB 4.32Å |
| 375 | Q | 90.4 | Very high | 95.3 | Very high | 72 Ų | 72 | 12.7 Ų | 12.7 | 34% | 0.336 | 6% | 0.064 | S | C | . | . | trans | -132.5 | 97.5 | 179.5 | -165.9 | 178.5 | -6.2 | 0 | 0 | 112 | N259 F260 Q893 | N259-Q375 PolarHBondContact O-NE2 3.01Å; F260-Q375 HydrophobicContact CD1-CG 4.34Å; F260-Q375 HydrophobicContact CE1-CB 4.19Å; F260-Q375 HydrophobicContact CE1-CG 4.04Å; F260-Q375 HydrophobicContact CZ-CG 4.49Å; Q375-Q893 VanDerWaalsContact N-OE1 3.11Å | ||
| 376 | Q | 91.8 | Very high | 95.1 | Very high | 19 Ų | 19 | 13.6 Ų | 13.6 | 9% | 0.089 | 7% | 0.069 | C | C | . | . | S | Bend | cis | -127 | -27.5 | -5.1 | -60.3 | -171.8 | -89.6 | 0 | 0 | 114.1 | F156 C157 F260 K261 | F156-Q376 VanDerWaalsContact CA-O 3.27Å; F156-Q376 WeakPolarHBondContact CA-O 3.4Å; F156-Q376 HydrophobicContact CD2-CB 4.01Å; F156-Q376 HydrophobicContact CE2-CB 3.72Å; C157-Q376 PolarHBondContact N-O 3.46Å; C157-Q376 VanDerWaalsContact N-O 3.12Å; C157-Q376 PolarHBondContact O-NE2 3.02Å; F260-Q376 HydrophobicContact CD1-CG 3.97Å; F260-Q376 HydrophobicContact CE1-CG 4.5Å; K261-Q376 VanDerWaalsContact CB-OE1 3.25Å; K261-Q376 PolarHBondContact O-NE2 2.89Å |
| 377 | W | 93.6 | Very high | 94.7 | Very high | 8 Ų | 8 | 15.1 Ų | 15.1 | 3% | 0.03 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 135.7 | 178.9 | -73 | 103.8 | 0 | 0 | 0 | 111.2 | L155 F156 A266 L267 P272 L273 Y379 | L155-W377 CarbonylContact O-C 3.52Å; L155-W377 WeakPolarHBondContact O-CA 3.42Å; F156-W377 HydrophobicContact CB-CD2 4.03Å; F156-W377 HydrophobicContact CB-CE3 3.67Å; F156-W377 HydrophobicContact CB-CH2 3.73Å; F156-W377 HydrophobicContact CB-CZ2 4.09Å; F156-W377 HydrophobicContact CB-CZ3 3.53Å; F156-W377 AromaticContact CD2-CD2 3.63Å; F156-W377 HydrophobicContact CD2-CD2 3.63Å; F156-W377 AromaticContact CD2-CE2 3.32Å; F156-W377 HydrophobicContact CD2-CE3 4.18Å; F156-W377 HydrophobicContact CD2-CG 4.04Å; F156-W377 HydrophobicContact CD2-CH2 4.15Å; F156-W377 AromaticContact CD2-CZ2 3.6Å; F156-W377 HydrophobicContact CD2-CZ2 3.6Å; F156-W377 HydrophobicContact CD2-CZ3 4.43Å; F156-W377 AromaticContact CD2-NE1 3.62Å; F156-W377 AromaticContact CE2-CE2 3.93Å; F156-W377 HydrophobicContact CE2-CZ2 4.18Å; F156-W377 AromaticContact CE2-NE1 3.84Å; F156-W377 HydrophobicContact CG-CD2 4.21Å; F156-W377 AromaticContact CG-CE2 3.99Å; F156-W377 HydrophobicContact CG-CE3 4.31Å; F156-W377 AromaticContact CG-CH2 3.96Å; F156-W377 HydrophobicContact CG-CH2 3.96Å; F156-W377 AromaticContact CG-CZ2 3.85Å; F156-W377 HydrophobicContact CG-CZ2 3.85Å; F156-W377 HydrophobicContact CG-CZ3 4.21Å; A266-W377 PolarHBondContact O-NE1 2.83Å; L267-W377 HydrophobicContact CD2-CH2 4.06Å; L267-W377 HydrophobicContact CD2-CZ2 3.62Å; L267-W377 HydrophobicContact CG-CZ2 4.14Å; P272-W377 HydrophobicContact CB-CB 4.1Å; L273-W377 WeakPolarHBondContact CB-O 3.42Å; L273-W377 PolarHBondContact N-O 2.91Å; W377-Y379 HydrophobicContact CB-CD2 4.48Å; W377-Y379 HydrophobicContact CB-CE2 3.85Å; W377-Y379 HydrophobicContact CD2-CE2 4.39Å; W377-Y379 HydrophobicContact CE3-CE2 4.18Å; W377-Y379 AromaticContact CE3-CZ 3.78Å; W377-Y379 HydrophobicContact CG-CE2 4.29Å |
| 378 | F | 93.9 | Very high | 94.4 | Very high | 8 Ų | 8 | 16.7 Ų | 16.7 | 4% | 0.035 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 128.1 | 169.8 | 172.6 | -114.2 | 0 | 0 | 0 | 109.3 | Q154 L155 L275 F354 F355 L358 L374 F380 | Q154-F378 CarbonylContact C-O 3.59Å; Q154-F378 VanDerWaalsContact CA-O 3.29Å; Q154-F378 WeakPolarHBondContact CA-O 3.24Å; L155-F378 HydrophobicContact CB-CB 4.26Å; L155-F378 HydrophobicContact CB-CD1 4.24Å; L155-F378 PolarHBondContact N-O 2.78Å; L155-F378 PolarHBondContact O-N 3.27Å; L275-F378 HydrophobicContact CD1-CD2 3.36Å; L275-F378 HydrophobicContact CD1-CE2 3.34Å; L275-F378 HydrophobicContact CD1-CZ 4.49Å; F354-F378 AromaticContact CE1-CE1 3.87Å; F354-F378 HydrophobicContact CE1-CE1 3.87Å; F354-F378 HydrophobicContact CE1-CZ 4.02Å; F354-F378 HydrophobicContact CZ-CE1 4.13Å; F354-F378 HydrophobicContact CZ-CZ 4.01Å; F355-F378 AromaticContact CE1-CD1 3.8Å; F355-F378 HydrophobicContact CE1-CD1 3.8Å; F355-F378 AromaticContact CE1-CE1 3.9Å; F355-F378 HydrophobicContact CE1-CE1 3.9Å; F355-F378 HydrophobicContact CZ-CD1 4.22Å; F355-F378 AromaticContact CZ-CE1 3.97Å; F355-F378 HydrophobicContact CZ-CE1 3.97Å; L358-F378 HydrophobicContact CD2-CD1 3.95Å; L358-F378 HydrophobicContact CD2-CE1 3.44Å; L358-F378 VanDerWaalsContact CD2-CE1 3.44Å; L358-F378 HydrophobicContact CD2-CZ 4.16Å; L374-F378 HydrophobicContact CD1-CB 3.85Å; L374-F378 HydrophobicContact CD2-CB 3.54Å; L374-F378 HydrophobicContact CG-CB 4.32Å; F378-F380 HydrophobicContact CE1-CB 3.99Å; F378-F380 HydrophobicContact CZ-CB 3.82Å |
| 379 | Y | 94.1 | Very high | 93.5 | Very high | 5 Ų | 5 | 23.6 Ų | 23.6 | 2% | 0.02 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 144.9 | 173.7 | -67.3 | -81.4 | 0 | 0 | 0 | 109 | G153 Q154 P272 L287 H288 F291 W377 | G153-Y379 WeakPolarHBondContact O-CA 3.29Å; Q154-Y379 HydrophobicContact CB-CD1 3.7Å; Q154-Y379 HydrophobicContact CB-CE1 3.45Å; Q154-Y379 VanDerWaalsContact CB-CE1 3.45Å; P272-Y379 HydrophobicContact CB-CD2 4.22Å; P272-Y379 HydrophobicContact CB-CE2 4.27Å; L287-Y379 HydrophobicContact CB-CD1 3.94Å; L287-Y379 HydrophobicContact CB-CG 4.26Å; H288-Y379 VanDerWaalsContact CA-CZ 3.47Å; H288-Y379 HydrophobicContact CB-CD2 4.34Å; H288-Y379 HydrophobicContact CB-CE1 4.47Å; H288-Y379 HydrophobicContact CB-CE2 3.61Å; H288-Y379 AromaticContact CG-CE2 4Å; H288-Y379 AromaticContact ND1-CE2 3.61Å; H288-Y379 AromaticContact ND1-CZ 3.51Å; H288-Y379 PolarHBondContact ND1-OH 3.48Å; F291-Y379 HydrophobicContact CD2-CD1 4.06Å; F291-Y379 AromaticContact CD2-CE1 3.82Å; F291-Y379 HydrophobicContact CD2-CE1 3.82Å; F291-Y379 HydrophobicContact CE2-CD1 4.23Å; F291-Y379 HydrophobicContact CE2-CE1 4.38Å; F291-Y379 HydrophobicContact CG-CE1 4.44Å; W377-Y379 HydrophobicContact CB-CD2 4.48Å; W377-Y379 HydrophobicContact CB-CE2 3.85Å; W377-Y379 HydrophobicContact CD2-CE2 4.39Å; W377-Y379 HydrophobicContact CE3-CE2 4.18Å; W377-Y379 AromaticContact CE3-CZ 3.78Å; W377-Y379 HydrophobicContact CG-CE2 4.29Å |
| 380 | F | 94.6 | Very high | 92.2 | Very high | 5 Ų | 5 | 26.3 Ų | 26.3 | 2% | 0.022 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 143.8 | 176.3 | 170.4 | -91.2 | 0 | 0 | 0 | 110 | C152 G153 M351 F354 F355 F378 A382 L865 L868 F895 L897 | C152-F380 CarbonylContact C-O 3.51Å; C152-F380 WeakPolarHBondContact CA-O 3.42Å; G153-F380 PolarHBondContact N-O 3.11Å; G153-F380 PolarHBondContact O-N 3.47Å; G153-F380 VanDerWaalsContact O-N 3.13Å; M351-F380 HydrophobicContact CE-CD1 3.92Å; M351-F380 HydrophobicContact CE-CE1 4.19Å; M351-F380 HydrophobicContact SD-CD1 4.1Å; M351-F380 HydrophobicContact SD-CE1 3.74Å; F354-F380 HydrophobicContact CD1-CD1 4.02Å; F354-F380 HydrophobicContact CD1-CE1 4.17Å; F354-F380 HydrophobicContact CD1-CG 4.31Å; F354-F380 HydrophobicContact CE1-CB 4.13Å; F354-F380 AromaticContact CE1-CD1 3.9Å; F354-F380 HydrophobicContact CE1-CD1 3.9Å; F354-F380 AromaticContact CE1-CD2 3.91Å; F354-F380 HydrophobicContact CE1-CD2 3.91Å; F354-F380 HydrophobicContact CE1-CE1 4.26Å; F354-F380 HydrophobicContact CE1-CE2 4.25Å; F354-F380 AromaticContact CE1-CG 3.71Å; F354-F380 HydrophobicContact CE1-CG 3.71Å; F354-F380 HydrophobicContact CE1-CZ 4.43Å; F354-F380 HydrophobicContact CZ-CD2 4.39Å; F355-F380 HydrophobicContact CE2-CB 3.99Å; F355-F380 HydrophobicContact CE2-CD1 4Å; F355-F380 HydrophobicContact CE2-CG 4.4Å; F355-F380 HydrophobicContact CZ-CB 3.75Å; F378-F380 HydrophobicContact CE1-CB 3.99Å; F378-F380 HydrophobicContact CZ-CB 3.82Å; F380-A382 HydrophobicContact CE1-CB 3.96Å; F380-A382 HydrophobicContact CZ-CB 4.21Å; F380-L865 HydrophobicContact CE2-CD2 4.23Å; F380-L865 HydrophobicContact CZ-CD2 3.94Å; F380-L868 HydrophobicContact CE1-CD1 3.9Å; F380-L868 HydrophobicContact CZ-CD1 3.89Å; F380-F895 AromaticContact CD2-CE1 3.96Å; F380-F895 HydrophobicContact CD2-CE1 3.96Å; F380-F895 AromaticContact CD2-CZ 3.98Å; F380-F895 HydrophobicContact CD2-CZ 3.98Å; F380-F895 HydrophobicContact CE2-CE1 4.08Å; F380-F895 AromaticContact CE2-CZ 3.78Å; F380-F895 HydrophobicContact CE2-CZ 3.78Å; F380-L897 HydrophobicContact CE2-CD1 4.01Å |
| 381 | D | 95.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 150.8 | 167.5 | 79.8 | 90.4 | 0 | 0 | 0 | 112.8 | L151 K280 R283 H284 L287 L383 | L151-D381 CarbonylContact O-C 3.55Å; L151-D381 VanDerWaalsContact O-CA 3.27Å; L151-D381 WeakPolarHBondContact O-CA 3.4Å; K280-D381 WeakPolarHBondContact CD-OD2 3.43Å; K280-D381 PolarHBondContact NZ-O 2.83Å; K280-D381 IonicContact NZ-OD1 3.74Å; K280-D381 PolarHBondContact NZ-OD1 3.27Å; K280-D381 IonicContact NZ-OD2 2.6Å; R283-D381 WeakPolarHBondContact CD-OD2 3.46Å; R283-D381 IonicContact NH1-OD1 3.95Å; R283-D381 PolarHBondContact NH1-OD1 3.14Å; R283-D381 IonicContact NH1-OD2 2.81Å; R283-D381 PolarHBondContact NH1-OD2 2.9Å; H284-D381 IonicContact NE2-OD2 3.72Å; L287-D381 HydrophobicContact CD1-CB 4.17Å; D381-L383 HydrophobicContact CB-CD2 4.48Å; D381-L383 HydrophobicContact CB-CG 3.97Å; D381-L383 WeakPolarHBondContact OD1-CB 3.42Å; D381-L383 WeakPolarHBondContact OD1-CG 3.22Å; D381-L383 PolarHBondContact OD1-N 3.49Å; D381-L383 VanDerWaalsContact OD1-N 3.13Å |
| 382 | A | 96.3 | Very high | 88.2 | Confident | 4 Ų | 4 | 33.1 Ų | 33.1 | 3% | 0.033 | 21% | 0.205 | C | C | . | . | trans | -121.1 | 41.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | L151 M351 F380 E384 C385 L868 | L151-A382 HydrophobicContact CD2-CB 4.18Å; L151-A382 PolarHBondContact O-N 3.46Å; M351-A382 HydrophobicContact SD-CB 4.3Å; F380-A382 HydrophobicContact CE1-CB 3.96Å; F380-A382 HydrophobicContact CZ-CB 4.21Å; A382-E384 PolarHBondContact O-N 3.08Å; A382-E384 VanDerWaalsContact O-N 3.09Å; A382-C385 VanDerWaalsContact O-CB 3.29Å; A382-C385 WeakPolarHBondContact O-CB 3.45Å; A382-C385 PolarHBondContact O-N 3.49Å; A382-C385 PolarHBondContact O-SG 2.99Å; A382-L868 HydrophobicContact CB-CD1 3.79Å; A382-L868 HydrophobicContact CB-CD2 3.88Å; A382-L868 HydrophobicContact CB-CG 4.31Å | ||
| 383 | L | 94.9 | Very high | 86.5 | Confident | 17 Ų | 17 | 34.7 Ų | 34.7 | 9% | 0.089 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -59.4 | -24 | -176.6 | -62.7 | -170.6 | 0 | 0 | 0 | 112.6 | L151 A336 I339 D381 C385 L386 | L151-L383 HydrophobicContact CB-CD2 3.9Å; A336-L383 HydrophobicContact CB-CD1 3.89Å; I339-L383 HydrophobicContact CD1-CD1 4.35Å; I339-L383 HydrophobicContact CG2-CD1 4.41Å; I339-L383 HydrophobicContact CG2-CD2 3.62Å; D381-L383 HydrophobicContact CB-CD2 4.48Å; D381-L383 HydrophobicContact CB-CG 3.97Å; D381-L383 WeakPolarHBondContact OD1-CB 3.42Å; D381-L383 WeakPolarHBondContact OD1-CG 3.22Å; D381-L383 PolarHBondContact OD1-N 3.49Å; D381-L383 VanDerWaalsContact OD1-N 3.13Å; L383-C385 PolarHBondContact O-N 3.45Å; L383-C385 VanDerWaalsContact O-N 3.08Å; L383-L386 WeakPolarHBondContact O-CB 3.41Å; L383-L386 PolarHBondContact O-N 3.49Å |
| 384 | E | 94.3 | Very high | 85.3 | Confident | 33 Ų | 33 | 41.7 Ų | 41.7 | 15% | 0.154 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -65.7 | -4.9 | 173.2 | -57.3 | 88.7 | 166.9 | 0 | 0 | 114 | K280 R283 A382 K872 H877 S882 R884 | K280-E384 WeakPolarHBondContact CE-OE1 3.42Å; K280-E384 VanDerWaalsContact NZ-CD 3.26Å; K280-E384 IonicContact NZ-OE1 3.68Å; K280-E384 PolarHBondContact NZ-OE1 3.38Å; K280-E384 IonicContact NZ-OE2 3.81Å; K280-E384 PolarHBondContact NZ-OE2 3.48Å; R283-E384 IonicContact NH1-OE1 2.69Å; A382-E384 PolarHBondContact O-N 3.08Å; A382-E384 VanDerWaalsContact O-N 3.09Å; E384-K872 WeakPolarHBondContact O-CE 3.48Å; E384-H877 PolarHBondContact O-CE1 2.74Å; E384-S882 WeakPolarHBondContact CB-O 3.4Å; E384-R884 IonicContact OE1-CZ 3.92Å; E384-R884 IonicContact OE1-NE 3.69Å; E384-R884 IonicContact OE1-NH2 3.85Å; E384-R884 PolarHBondContact OE1-NH2 3.31Å |
| 385 | C | 96.6 | Very high | 84.3 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -75.3 | -14.4 | 169.4 | -60.2 | 0 | 0 | 0 | 0 | 112.4 | L151 A382 L383 F412 L868 F871 Q875 | L151-C385 HydrophobicContact CD1-CB 4.18Å; L151-C385 HydrophobicContact CD2-CB 3.84Å; A382-C385 VanDerWaalsContact O-CB 3.29Å; A382-C385 WeakPolarHBondContact O-CB 3.45Å; A382-C385 PolarHBondContact O-N 3.49Å; A382-C385 PolarHBondContact O-SG 2.99Å; L383-C385 PolarHBondContact O-N 3.45Å; L383-C385 VanDerWaalsContact O-N 3.08Å; C385-F412 HydrophobicContact CB-CE1 3.95Å; C385-F412 HydrophobicContact CB-CZ 4.14Å; C385-F412 WeakPolarHBondContact O-CE1 2.9Å; C385-L868 PolarHBondContact SG-O 2.94Å; C385-F871 HydrophobicContact CB-CB 4.38Å; C385-Q875 PolarHBondContact O-NE2 3.1Å |
| 386 | L | 95.1 | Very high | 83.9 | Confident | 22 Ų | 22 | 47.3 Ų | 47.3 | 12% | 0.115 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -75.7 | 155.4 | 174.9 | -64.1 | 175.6 | 0 | 0 | 0 | 111.3 | L151 I339 L383 E388 V411 F412 H877 | L151-L386 HydrophobicContact CD1-CD1 4.3Å; L151-L386 HydrophobicContact CD1-CD2 3.78Å; L151-L386 HydrophobicContact CD1-CG 3.66Å; I339-L386 HydrophobicContact CD1-CD1 4.37Å; I339-L386 HydrophobicContact CG1-CD1 4.48Å; I339-L386 HydrophobicContact CG2-CD1 3.5Å; I339-L386 VanDerWaalsContact CG2-CD1 3.5Å; L383-L386 WeakPolarHBondContact O-CB 3.41Å; L383-L386 PolarHBondContact O-N 3.49Å; L386-E388 PolarHBondContact O-N 3.39Å; L386-V411 HydrophobicContact CD2-CG1 4.26Å; L386-F412 HydrophobicContact CD2-CD1 4.39Å; L386-F412 HydrophobicContact CD2-CE1 4.44Å; L386-H877 PolarHBondContact O-CE1 2.83Å; L386-H877 PolarHBondContact O-NE2 2.66Å |
| 387 | P | 90.8 | Very high | 83.6 | Confident | 42 Ų | 42 | 47 Ų | 47 | 27% | 0.273 | 28% | 0.278 | S | S | . | . | trans | -56.5 | 135.8 | -179.7 | -25.3 | 33.7 | 0 | 0 | 0 | 113.8 | D389 G390 | P387-D389 PolarHBondContact O-N 2.93Å; P387-D389 VanDerWaalsContact O-N 3.14Å; P387-G390 PolarHBondContact O-N 3.41Å; P387-G390 VanDerWaalsContact O-N 3.11Å | ||
| 388 | E | 89.5 | Confident | 83.3 | Confident | 47 Ų | 47 | 47 Ų | 47 | 22% | 0.22 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -24.8 | -174.6 | -66.1 | -178.4 | 148.2 | 0 | 0 | 115.4 | L386 H877 K878 K879 S882 | L386-E388 PolarHBondContact O-N 3.39Å; E388-H877 HydrophobicContact CG-CB 4.25Å; E388-H877 WeakPolarHBondContact OE1-CB 3.47Å; E388-H877 IonicContact OE1-CG 3.39Å; E388-H877 IonicContact OE1-ND1 2.66Å; E388-K878 PolarHBondContact OE1-N 3.12Å; E388-K878 PolarHBondContact OE2-N 3.44Å; E388-K879 HydrophobicContact CB-CD 4.44Å; E388-K879 HydrophobicContact CG-CD 4.43Å; E388-K879 PolarHBondContact O-NZ 2.97Å; E388-K879 WeakPolarHBondContact OE1-CA 3.4Å; E388-K879 WeakPolarHBondContact OE1-CB 3.28Å; E388-K879 PolarHBondContact OE1-N 3.48Å; E388-K879 PolarHBondContact OE2-N 3.09Å; E388-S882 WeakPolarHBondContact OE1-CB 3.46Å; E388-S882 PolarHBondContact OE1-OG 2.9Å |
| 389 | D | 78.9 | Confident | 83 | Confident | 148 Ų | 148 | 51.6 Ų | 51.6 | 79% | 0.791 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | 14.6 | -177.3 | -60 | -33.9 | 0 | 0 | 0 | 112.2 | P387 G391 | P387-D389 PolarHBondContact O-N 2.93Å; P387-D389 VanDerWaalsContact O-N 3.14Å; D389-G391 PolarHBondContact O-N 2.91Å |
| 390 | G | 67.6 | Low | 82.6 | Confident | 56 Ų | 56 | 55.3 Ų | 55.3 | 58% | 0.577 | 33% | 0.329 | S | S | * | . | trans | 73 | -18.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | P387 | P387-G390 PolarHBondContact O-N 3.41Å; P387-G390 VanDerWaalsContact O-N 3.11Å | ||
| 391 | G | 58.9 | Low | 82.4 | Confident | 35 Ų | 35 | 61 Ų | 61 | 36% | 0.361 | 35% | 0.354 | S | S | . | . | trans | 69.3 | 124.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D389 L393 | D389-G391 PolarHBondContact O-N 2.91Å; G391-L393 PolarHBondContact O-N 3.13Å | ||
| 392 | C | 49.9 | Very low | 82.2 | Confident | 145 Ų | 145 | 62.9 Ų | 62.9 | 98% | 0.98 | 37% | 0.373 | S | S | * | . | trans | -77.9 | 65.2 | 165.6 | -84 | 0 | 0 | 0 | 0 | 110 | ||||
| 393 | L | 61.1 | Low | 82.1 | Confident | 52 Ų | 52 | 64.8 Ų | 64.8 | 27% | 0.272 | 38% | 0.384 | S | S | . | . | trans | -98.3 | 127.3 | 178.2 | -66.7 | 168 | 0 | 0 | 0 | 109.3 | G391 F398 | G391-L393 PolarHBondContact O-N 3.13Å; L393-F398 HydrophobicContact CB-CE2 3.62Å; L393-F398 HydrophobicContact CB-CZ 3.64Å; L393-F398 HydrophobicContact CD1-CE1 4.2Å; L393-F398 HydrophobicContact CD1-CE2 4.43Å; L393-F398 HydrophobicContact CD1-CZ 3.6Å; L393-F398 HydrophobicContact CG-CZ 4.27Å | ||
| 394 | Q | 69.4 | Low | 82.2 | Confident | 146 Ų | 146 | 64.4 Ų | 64.4 | 68% | 0.682 | 38% | 0.382 | S | S | * | . | trans | -65.6 | 143.2 | 172.6 | -64.7 | -170.2 | -6.9 | 0 | 0 | 109.5 | S396 S397 | Q394-S396 WeakPolarHBondContact CB-OG 3.33Å; Q394-S396 PolarHBondContact O-N 2.84Å; Q394-S397 VanDerWaalsContact O-CB 3.25Å; Q394-S397 WeakPolarHBondContact O-CB 3.42Å; Q394-S397 PolarHBondContact O-N 2.81Å; Q394-S397 PolarHBondContact O-OG 3.23Å | ||
| 395 | E | 73.3 | Confident | 82.4 | Confident | 139 Ų | 139 | 63.3 Ų | 63.3 | 65% | 0.65 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -51.3 | -32.1 | 177.4 | -70.6 | 179.8 | -178.1 | 0 | 0 | 112.6 | S397 F398 | E395-S397 PolarHBondContact O-N 3.29Å; E395-F398 PolarHBondContact O-N 3.16Å; E395-F398 VanDerWaalsContact O-N 3.17Å |
| 396 | S | 81.9 | Confident | 82.4 | Confident | 62 Ų | 62 | 63.6 Ų | 63.6 | 43% | 0.434 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -58.8 | -25.4 | 175.6 | 57.7 | 0 | 0 | 0 | 0 | 114.1 | Q394 F398 L399 | Q394-S396 WeakPolarHBondContact CB-OG 3.33Å; Q394-S396 PolarHBondContact O-N 2.84Å; S396-F398 PolarHBondContact O-N 3.42Å; S396-L399 PolarHBondContact O-N 3.44Å |
| 397 | S | 85.9 | Confident | 82.5 | Confident | 14 Ų | 14 | 62.7 Ų | 62.7 | 10% | 0.098 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -69.5 | -19.8 | 179.3 | -68.1 | 0 | 0 | 0 | 0 | 113.5 | Q394 E395 G413 S414 | Q394-S397 VanDerWaalsContact O-CB 3.25Å; Q394-S397 WeakPolarHBondContact O-CB 3.42Å; Q394-S397 PolarHBondContact O-N 2.81Å; Q394-S397 PolarHBondContact O-OG 3.23Å; E395-S397 PolarHBondContact O-N 3.29Å; S397-G413 CarbonylContact O-C 3.59Å; S397-G413 WeakPolarHBondContact O-CA 3.49Å; S397-S414 PolarHBondContact O-N 3.49Å; S397-S414 PolarHBondContact O-OG 3.42Å |
| 398 | F | 87.9 | Confident | 82.8 | Confident | 6 Ų | 6 | 60.7 Ų | 60.7 | 3% | 0.026 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -102 | 2 | -177.1 | -56.2 | -80.2 | 0 | 0 | 0 | 113.3 | W308 L393 E395 S396 V410 | W308-F398 HydrophobicContact CB-CD2 4.45Å; W308-F398 AromaticContact CD1-CD1 3.58Å; W308-F398 AromaticContact CD1-CD2 3.77Å; W308-F398 AromaticContact CD1-CG 3.38Å; W308-F398 HydrophobicContact CD2-CD2 4.26Å; W308-F398 HydrophobicContact CD2-CE1 4.29Å; W308-F398 HydrophobicContact CD2-CE2 4.04Å; W308-F398 HydrophobicContact CD2-CG 4.47Å; W308-F398 HydrophobicContact CD2-CZ 4.03Å; W308-F398 AromaticContact CE2-CD1 3.8Å; W308-F398 AromaticContact CE2-CE1 3.49Å; W308-F398 VanDerWaalsContact CE2-CE1 3.49Å; W308-F398 AromaticContact CE2-CZ 3.62Å; W308-F398 HydrophobicContact CG-CB 4.46Å; W308-F398 HydrophobicContact CG-CD1 4.37Å; W308-F398 AromaticContact CG-CD2 3.91Å; W308-F398 HydrophobicContact CG-CD2 3.91Å; W308-F398 HydrophobicContact CG-CE2 4.17Å; W308-F398 HydrophobicContact CG-CG 4Å; W308-F398 HydrophobicContact CG-CZ 4.49Å; W308-F398 HydrophobicContact CH2-CZ 4.28Å; W308-F398 HydrophobicContact CZ2-CD1 4.39Å; W308-F398 AromaticContact CZ2-CE1 3.67Å; W308-F398 HydrophobicContact CZ2-CE1 3.67Å; W308-F398 AromaticContact CZ2-CZ 3.77Å; W308-F398 HydrophobicContact CZ2-CZ 3.77Å; W308-F398 AromaticContact NE1-CD1 3.17Å; W308-F398 AromaticContact NE1-CE1 3.37Å; W308-F398 AromaticContact NE1-CG 3.53Å; W308-F398 AromaticContact NE1-CZ 3.89Å; L393-F398 HydrophobicContact CB-CE2 3.62Å; L393-F398 HydrophobicContact CB-CZ 3.64Å; L393-F398 HydrophobicContact CD1-CE1 4.2Å; L393-F398 HydrophobicContact CD1-CE2 4.43Å; L393-F398 HydrophobicContact CD1-CZ 3.6Å; L393-F398 HydrophobicContact CG-CZ 4.27Å; E395-F398 PolarHBondContact O-N 3.16Å; E395-F398 VanDerWaalsContact O-N 3.17Å; S396-F398 PolarHBondContact O-N 3.42Å; F398-V410 WeakPolarHBondContact O-CG2 3.38Å |
| 399 | L | 86.9 | Confident | 83.2 | Confident | 105 Ų | 105 | 58.7 Ų | 58.7 | 55% | 0.55 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -73.5 | 143.2 | 176.2 | -62.1 | 176.5 | 0 | 0 | 0 | 110.8 | S396 | S396-L399 PolarHBondContact O-N 3.44Š|
| 400 | S | 86.1 | Confident | 83.9 | Confident | 83 Ų | 83 | 52.2 Ų | 52.2 | 58% | 0.58 | 32% | 0.317 | S | S | * | . | trans | -58.2 | 140.9 | 172.2 | 154.7 | 0 | 0 | 0 | 0 | 110.6 | D406 | S400-D406 WeakPolarHBondContact CB-OD2 3.48Å; S400-D406 PolarHBondContact OG-OD2 3.17Å | ||
| 401 | K | 89.4 | Confident | 85.3 | Confident | 125 Ų | 125 | 49.5 Ų | 49.5 | 54% | 0.543 | 29% | 0.289 | S | S | . | . | trans | -113.1 | 4.8 | -176.9 | -65.7 | -166.4 | 177.1 | -173.9 | 0 | 113.2 | T403 D406 S414 | K401-T403 HydrophobicContact CB-CG2 3.89Å; K401-D406 PolarHBondContact N-OD1 3.02Å; K401-D406 PolarHBondContact N-OD2 2.97Å; K401-S414 VanDerWaalsContact CE-OG 3.31Å; K401-S414 WeakPolarHBondContact CE-OG 3.34Å; K401-S414 PolarHBondContact NZ-OG 3.35Å | ||
| 402 | G | 91.3 | Very high | 87 | Confident | 39 Ų | 39 | 48.1 Ų | 48.1 | 40% | 0.402 | 27% | 0.273 | S | S | . | . | S | Bend | trans | 69.6 | 41.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | D406 | G402-D406 WeakPolarHBondContact CA-OD2 3.31Å; G402-D406 PolarHBondContact N-OD1 3.5Å; G402-D406 PolarHBondContact N-OD2 3.14Å |
| 403 | T | 95.1 | Very high | 89.1 | Confident | 45 Ų | 45 | 41.2 Ų | 41.2 | 28% | 0.276 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -125.4 | 158.4 | -178.5 | 73.6 | 0 | 0 | 0 | 0 | 110.8 | K401 Y405 D406 | K401-T403 HydrophobicContact CB-CG2 3.89Å; T403-Y405 PolarHBondContact O-N 2.97Å; T403-Y405 PolarHBondContact OG1-N 3.04Å; T403-D406 VanDerWaalsContact N-CG 3.3Å; T403-D406 PolarHBondContact N-OD1 2.94Å; T403-D406 PolarHBondContact N-OD2 3.09Å; T403-D406 VanDerWaalsContact N-OD2 3.14Å; T403-D406 WeakPolarHBondContact O-CB 3.49Å; T403-D406 PolarHBondContact O-N 3.2Å; T403-D406 VanDerWaalsContact O-N 3.08Å; T403-D406 PolarHBondContact OG1-OD1 3.46Å |
| 404 | R | 97.1 | Very high | 90.7 | Very high | 9 Ų | 9 | 39.6 Ų | 39.6 | 3% | 0.034 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -12.2 | 174.6 | 68.9 | 175.6 | -59.2 | 152.6 | 6 | 114.8 | W66 L69 S70 M493 N494 | W66-R404 HydrophobicContact CE3-CB 4.4Å; W66-R404 HydrophobicContact CZ3-CB 4.5Å; L69-R404 CarbonylContact C-O 3.59Å; L69-R404 HydrophobicContact CB-CB 3.71Å; L69-R404 HydrophobicContact CD2-CB 4.11Å; S70-R404 WeakPolarHBondContact CA-O 3.34Å; S70-R404 WeakPolarHBondContact CB-O 3.27Å; S70-R404 PolarHBondContact N-O 3.28Å; S70-R404 PolarHBondContact OG-O 2.87Å; R404-M493 PolarHBondContact NH1-O 2.97Å; R404-M493 PolarHBondContact NH2-O 3.07Å; R404-N494 VanDerWaalsContact NH1-CG 3.27Å; R404-N494 PolarHBondContact NH1-OD1 2.83Å |
| 405 | Y | 97.9 | Very high | 91.8 | Very high | 9 Ų | 9 | 38.7 Ų | 38.7 | 4% | 0.035 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 5.7 | -178.8 | -52.4 | -65.1 | 0 | 0 | 0 | 112.9 | T403 A407 Q408 I409 Q417 L421 L443 N494 | T403-Y405 PolarHBondContact O-N 2.97Å; T403-Y405 PolarHBondContact OG1-N 3.04Å; Y405-A407 VanDerWaalsContact C-N 3.3Å; Y405-A407 PolarHBondContact O-N 3.41Å; Y405-Q408 WeakPolarHBondContact O-CA 3.49Å; Y405-Q408 WeakPolarHBondContact O-CB 3.4Å; Y405-Q408 PolarHBondContact O-N 3.23Å; Y405-I409 WeakPolarHBondContact O-CG1 3.48Å; Y405-I409 PolarHBondContact O-N 2.99Å; Y405-Q417 HydrophobicContact CD2-CG 4.39Å; Y405-Q417 HydrophobicContact CG-CG 4.22Å; Y405-L421 HydrophobicContact CE2-CD2 3.79Å; Y405-L443 WeakPolarHBondContact CE1-O 3.24Å; Y405-N494 PolarHBondContact OH-ND2 2.93Å |
| 406 | D | 96.5 | Very high | 92.9 | Very high | 6 Ų | 6 | 33 Ų | 33 | 3% | 0.032 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58 | -39.5 | -170.1 | -79.8 | -2.7 | 0 | 0 | 0 | 113.3 | S400 K401 G402 T403 Q408 I409 V410 | S400-D406 WeakPolarHBondContact CB-OD2 3.48Å; S400-D406 PolarHBondContact OG-OD2 3.17Å; K401-D406 PolarHBondContact N-OD1 3.02Å; K401-D406 PolarHBondContact N-OD2 2.97Å; G402-D406 WeakPolarHBondContact CA-OD2 3.31Å; G402-D406 PolarHBondContact N-OD1 3.5Å; G402-D406 PolarHBondContact N-OD2 3.14Å; T403-D406 VanDerWaalsContact N-CG 3.3Å; T403-D406 PolarHBondContact N-OD1 2.94Å; T403-D406 PolarHBondContact N-OD2 3.09Å; T403-D406 VanDerWaalsContact N-OD2 3.14Å; T403-D406 WeakPolarHBondContact O-CB 3.49Å; T403-D406 PolarHBondContact O-N 3.2Å; T403-D406 VanDerWaalsContact O-N 3.08Å; T403-D406 PolarHBondContact OG1-OD1 3.46Å; D406-Q408 VanDerWaalsContact C-N 3.27Å; D406-Q408 PolarHBondContact O-N 3.08Å; D406-I409 PolarHBondContact O-N 3.13Å; D406-V410 WeakPolarHBondContact O-CG2 3.42Å; D406-V410 PolarHBondContact O-N 3.27Å |
| 407 | A | 96.9 | Very high | 93.6 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 3% | 0.025 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -72.2 | -23.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S70 G346 D347 Y405 | S70-A407 PolarHBondContact OG-N 3.36Å; G346-A407 VanDerWaalsContact CA-O 3.24Å; G346-A407 WeakPolarHBondContact CA-O 3.36Å; D347-A407 HydrophobicContact CB-CB 3.61Å; D347-A407 PolarHBondContact N-O 3.38Å; Y405-A407 VanDerWaalsContact C-N 3.3Å; Y405-A407 PolarHBondContact O-N 3.41Å |
| 408 | Q | 97.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -80.9 | -38.1 | 171.2 | -172 | 168.4 | -84.2 | 0 | 0 | 111.8 | L348 Y405 D406 V410 V411 F412 L420 I444 | L348-Q408 HydrophobicContact CD2-CB 4.04Å; L348-Q408 HydrophobicContact CD2-CG 3.81Å; Y405-Q408 WeakPolarHBondContact O-CA 3.49Å; Y405-Q408 WeakPolarHBondContact O-CB 3.4Å; Y405-Q408 PolarHBondContact O-N 3.23Å; D406-Q408 VanDerWaalsContact C-N 3.27Å; D406-Q408 PolarHBondContact O-N 3.08Å; Q408-V410 VanDerWaalsContact C-N 3.29Å; Q408-V410 PolarHBondContact O-N 2.84Å; Q408-V411 PolarHBondContact O-N 2.98Å; Q408-V411 VanDerWaalsContact O-N 3.08Å; Q408-F412 HydrophobicContact CG-CD2 3.82Å; Q408-F412 HydrophobicContact CG-CE2 4.21Å; Q408-F412 PolarHBondContact O-N 2.83Å; Q408-L420 VanDerWaalsContact NE2-CD1 3.27Å; Q408-I444 PolarHBondContact NE2-O 3.47Å |
| 409 | I | 97 | Very high | 94.6 | Very high | 5 Ų | 5 | 38.7 Ų | 38.7 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.1 | -37.6 | 175.9 | -71.7 | 167.8 | 0 | 0 | 0 | 111.1 | Y405 D406 V411 G413 Q417 | Y405-I409 WeakPolarHBondContact O-CG1 3.48Å; Y405-I409 PolarHBondContact O-N 2.99Å; D406-I409 PolarHBondContact O-N 3.13Å; I409-V411 PolarHBondContact O-N 3.26Å; I409-G413 WeakPolarHBondContact O-CA 3.33Å; I409-G413 PolarHBondContact O-N 3.47Å; I409-Q417 HydrophobicContact CD1-CB 4.42Å; I409-Q417 HydrophobicContact CD1-CG 4.2Å; I409-Q417 HydrophobicContact CG1-CB 3.84Å; I409-Q417 HydrophobicContact CG1-CG 3.95Å |
| 410 | V | 95.1 | Very high | 95.2 | Very high | 11 Ų | 11 | 33.7 Ų | 33.7 | 7% | 0.067 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.1 | -30.2 | 175.4 | 159.8 | 0 | 0 | 0 | 0 | 112.5 | P307 W308 R345 F398 D406 Q408 | P307-V410 HydrophobicContact CB-CG1 3.92Å; P307-V410 HydrophobicContact CB-CG2 4.49Å; P307-V410 HydrophobicContact CG-CB 4.44Å; P307-V410 HydrophobicContact CG-CG1 3.74Å; P307-V410 HydrophobicContact CG-CG2 3.94Å; W308-V410 PolarHBondContact NE1-O 3.42Å; W308-V410 VanDerWaalsContact NE1-O 3.1Å; R345-V410 HydrophobicContact CB-CG1 4.09Å; F398-V410 WeakPolarHBondContact O-CG2 3.38Å; D406-V410 WeakPolarHBondContact O-CG2 3.42Å; D406-V410 PolarHBondContact O-N 3.27Å; Q408-V410 VanDerWaalsContact C-N 3.29Å; Q408-V410 PolarHBondContact O-N 2.84Å |
| 411 | V | 95.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -86 | -53.6 | 178.8 | -177.9 | 0 | 0 | 0 | 0 | 111.3 | L151 T343 L348 L386 Q408 I409 | L151-V411 HydrophobicContact CD1-CG1 3.97Å; L151-V411 HydrophobicContact CG-CG1 4.03Å; T343-V411 HydrophobicContact CG2-CB 4.49Å; T343-V411 HydrophobicContact CG2-CG1 3.96Å; T343-V411 HydrophobicContact CG2-CG2 4.46Å; L348-V411 HydrophobicContact CD1-CG1 4.35Å; L348-V411 HydrophobicContact CD1-CG2 4.38Å; L348-V411 HydrophobicContact CD2-CB 4.4Å; L348-V411 HydrophobicContact CD2-CG2 4.09Å; L348-V411 HydrophobicContact CG-CG2 4.33Å; L386-V411 HydrophobicContact CD2-CG1 4.26Å; Q408-V411 PolarHBondContact O-N 2.98Å; Q408-V411 VanDerWaalsContact O-N 3.08Å; I409-V411 PolarHBondContact O-N 3.26Å |
| 412 | F | 94.9 | Very high | 96.2 | Very high | 5 Ų | 5 | 26.6 Ų | 26.6 | 2% | 0.022 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -105.4 | -10.5 | -167.6 | -59.6 | -72.2 | 0 | 0 | 0 | 115 | L151 L348 C385 L386 Q408 F416 F871 | L151-F412 HydrophobicContact CD1-CE1 4.44Å; L151-F412 HydrophobicContact CD2-CZ 4.07Å; L348-F412 HydrophobicContact CD1-CE2 3.99Å; L348-F412 HydrophobicContact CD1-CZ 4.2Å; L348-F412 HydrophobicContact CD2-CD2 4.42Å; L348-F412 HydrophobicContact CD2-CE2 3.83Å; C385-F412 HydrophobicContact CB-CE1 3.95Å; C385-F412 HydrophobicContact CB-CZ 4.14Å; C385-F412 WeakPolarHBondContact O-CE1 2.9Å; L386-F412 HydrophobicContact CD2-CD1 4.39Å; L386-F412 HydrophobicContact CD2-CE1 4.44Å; Q408-F412 HydrophobicContact CG-CD2 3.82Å; Q408-F412 HydrophobicContact CG-CE2 4.21Å; Q408-F412 PolarHBondContact O-N 2.83Å; F412-F416 HydrophobicContact CB-CB 4.16Å; F412-F416 HydrophobicContact CB-CD1 3.47Å; F412-F416 VanDerWaalsContact CB-CD1 3.47Å; F412-F416 HydrophobicContact CB-CE1 4.29Å; F412-F416 HydrophobicContact CB-CG 4.21Å; F412-F416 HydrophobicContact CD1-CD1 4.26Å; F412-F416 HydrophobicContact CD1-CE1 4.34Å; F412-F416 HydrophobicContact CD2-CD1 4.43Å; F412-F416 AromaticContact CG-CD1 3.84Å; F412-F416 HydrophobicContact CG-CD1 3.84Å; F412-F416 HydrophobicContact CG-CE1 4.17Å; F412-F871 HydrophobicContact CE2-CD1 4.32Å; F412-F871 HydrophobicContact CE2-CD2 4.08Å; F412-F871 HydrophobicContact CE2-CE1 4.09Å; F412-F871 AromaticContact CE2-CE2 3.83Å; F412-F871 HydrophobicContact CE2-CE2 3.83Å; F412-F871 HydrophobicContact CE2-CG 4.32Å; F412-F871 AromaticContact CE2-CZ 3.84Å; F412-F871 HydrophobicContact CE2-CZ 3.84Å; F412-F871 HydrophobicContact CZ-CB 4.48Å; F412-F871 HydrophobicContact CZ-CD1 4.38Å; F412-F871 AromaticContact CZ-CD2 3.66Å; F412-F871 HydrophobicContact CZ-CD2 3.66Å; F412-F871 AromaticContact CZ-CE2 3.84Å; F412-F871 HydrophobicContact CZ-CE2 3.84Å; F412-F871 AromaticContact CZ-CG 3.95Å; F412-F871 HydrophobicContact CZ-CG 3.95Å; F412-F871 HydrophobicContact CZ-CZ 4.28Å |
| 413 | G | 94.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | trans | 82.1 | 156.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S397 I409 E415 F416 Q417 | S397-G413 CarbonylContact O-C 3.59Å; S397-G413 WeakPolarHBondContact O-CA 3.49Å; I409-G413 WeakPolarHBondContact O-CA 3.33Å; I409-G413 PolarHBondContact O-N 3.47Å; G413-E415 VanDerWaalsContact C-N 3.33Å; G413-E415 PolarHBondContact O-N 2.78Å; G413-F416 PolarHBondContact O-N 2.91Å; G413-Q417 PolarHBondContact O-N 3.09Å; G413-Q417 VanDerWaalsContact O-N 3.16Å | ||
| 414 | S | 94.3 | Very high | 96.7 | Very high | 18 Ų | 18 | 27.4 Ų | 27.4 | 13% | 0.126 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -71.4 | -23.5 | -173.4 | 63.5 | 0 | 0 | 0 | 0 | 115 | S397 K401 Q417 Q418 | S397-S414 PolarHBondContact O-N 3.49Å; S397-S414 PolarHBondContact O-OG 3.42Å; K401-S414 VanDerWaalsContact CE-OG 3.31Å; K401-S414 WeakPolarHBondContact CE-OG 3.34Å; K401-S414 PolarHBondContact NZ-OG 3.35Å; S414-Q417 PolarHBondContact O-N 2.7Å; S414-Q418 PolarHBondContact O-N 3.31Å |
| 415 | E | 93.3 | Very high | 96.8 | Very high | 126 Ų | 126 | 27.1 Ų | 27.1 | 59% | 0.589 | 13% | 0.129 | S | C | * | . | H | α-helix | trans | -66.8 | -44.2 | 174 | -66 | -176.2 | 179.4 | 0 | 0 | 111.1 | G413 Q417 Q418 K419 | G413-E415 VanDerWaalsContact C-N 3.33Å; G413-E415 PolarHBondContact O-N 2.78Å; E415-Q417 VanDerWaalsContact C-N 3.35Å; E415-Q418 WeakPolarHBondContact O-CB 3.43Å; E415-Q418 PolarHBondContact O-N 2.9Å; E415-K419 PolarHBondContact O-N 3.36Å; E415-K419 VanDerWaalsContact O-N 3.12Å |
| 416 | F | 95.3 | Very high | 96.8 | Very high | 19 Ų | 19 | 26.7 Ų | 26.7 | 8% | 0.083 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.4 | -39.6 | 175.3 | -174.6 | -116.4 | 0 | 0 | 0 | 111.4 | F412 G413 Q418 K419 L420 F871 I874 Q875 | F412-F416 HydrophobicContact CB-CB 4.16Å; F412-F416 HydrophobicContact CB-CD1 3.47Å; F412-F416 VanDerWaalsContact CB-CD1 3.47Å; F412-F416 HydrophobicContact CB-CE1 4.29Å; F412-F416 HydrophobicContact CB-CG 4.21Å; F412-F416 HydrophobicContact CD1-CD1 4.26Å; F412-F416 HydrophobicContact CD1-CE1 4.34Å; F412-F416 HydrophobicContact CD2-CD1 4.43Å; F412-F416 AromaticContact CG-CD1 3.84Å; F412-F416 HydrophobicContact CG-CD1 3.84Å; F412-F416 HydrophobicContact CG-CE1 4.17Å; G413-F416 PolarHBondContact O-N 2.91Å; F416-Q418 VanDerWaalsContact C-N 3.25Å; F416-Q418 PolarHBondContact O-N 2.86Å; F416-K419 HydrophobicContact CD2-CB 4.31Å; F416-K419 HydrophobicContact CD2-CD 4.31Å; F416-K419 HydrophobicContact CE2-CD 4.38Å; F416-K419 WeakPolarHBondContact O-CA 3.39Å; F416-K419 VanDerWaalsContact O-CB 3.27Å; F416-K419 WeakPolarHBondContact O-CB 3.45Å; F416-K419 PolarHBondContact O-N 3.08Å; F416-L420 HydrophobicContact CD1-CD1 3.83Å; F416-L420 HydrophobicContact CD1-CG 4.08Å; F416-L420 HydrophobicContact CE1-CD1 3.68Å; F416-L420 HydrophobicContact CE1-CD2 3.79Å; F416-L420 HydrophobicContact CE1-CG 3.81Å; F416-L420 HydrophobicContact CE2-CD2 4.33Å; F416-L420 HydrophobicContact CE2-CG 4.47Å; F416-L420 HydrophobicContact CZ-CD1 4.37Å; F416-L420 HydrophobicContact CZ-CD2 3.65Å; F416-L420 HydrophobicContact CZ-CG 4.01Å; F416-L420 WeakPolarHBondContact O-CG 3.32Å; F416-L420 PolarHBondContact O-N 3.42Å; F416-F871 HydrophobicContact CE1-CB 4.5Å; F416-F871 AromaticContact CE1-CD1 3.84Å; F416-F871 HydrophobicContact CE1-CD1 3.84Å; F416-F871 HydrophobicContact CZ-CB 4.48Å; F416-F871 HydrophobicContact CZ-CD1 4.27Å; F416-I874 HydrophobicContact CE2-CB 4.16Å; F416-I874 HydrophobicContact CE2-CG2 3.81Å; F416-I874 HydrophobicContact CZ-CB 4.2Å; F416-I874 HydrophobicContact CZ-CG2 4.21Å; F416-Q875 HydrophobicContact CD2-CG 3.66Å; F416-Q875 HydrophobicContact CE1-CG 4.21Å; F416-Q875 HydrophobicContact CE2-CB 4.17Å; F416-Q875 HydrophobicContact CE2-CG 3.14Å; F416-Q875 HydrophobicContact CG-CG 4.41Å; F416-Q875 HydrophobicContact CZ-CG 3.44Å; F416-Q875 VanDerWaalsContact CZ-CG 3.44Å |
| 417 | Q | 97.6 | Very high | 96.9 | Very high | 5 Ų | 5 | 26.4 Ų | 26.4 | 2% | 0.023 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -54.5 | -43.2 | 172 | -172 | 60.3 | 37.4 | 0 | 0 | 111.8 | Y405 I409 G413 S414 E415 K419 L420 L421 I444 | Y405-Q417 HydrophobicContact CD2-CG 4.39Å; Y405-Q417 HydrophobicContact CG-CG 4.22Å; I409-Q417 HydrophobicContact CD1-CB 4.42Å; I409-Q417 HydrophobicContact CD1-CG 4.2Å; I409-Q417 HydrophobicContact CG1-CB 3.84Å; I409-Q417 HydrophobicContact CG1-CG 3.95Å; G413-Q417 PolarHBondContact O-N 3.09Å; G413-Q417 VanDerWaalsContact O-N 3.16Å; S414-Q417 PolarHBondContact O-N 2.7Å; E415-Q417 VanDerWaalsContact C-N 3.35Å; Q417-K419 VanDerWaalsContact C-N 3.28Å; Q417-K419 PolarHBondContact O-N 2.82Å; Q417-L420 WeakPolarHBondContact O-CB 3.26Å; Q417-L420 PolarHBondContact O-N 2.96Å; Q417-L421 VanDerWaalsContact O-CG 3.3Å; Q417-L421 WeakPolarHBondContact O-CG 3.46Å; Q417-L421 PolarHBondContact O-N 2.73Å; Q417-I444 PolarHBondContact NE2-O 2.74Å |
| 418 | Q | 96.8 | Very high | 97 | Very high | 101 Ų | 101 | 26.4 Ų | 26.4 | 47% | 0.472 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -64.8 | -32.9 | 176.6 | -170.1 | 61.1 | 18.9 | 0 | 0 | 112.6 | S414 E415 F416 N422 | S414-Q418 PolarHBondContact O-N 3.31Å; E415-Q418 WeakPolarHBondContact O-CB 3.43Å; E415-Q418 PolarHBondContact O-N 2.9Å; F416-Q418 VanDerWaalsContact C-N 3.25Å; F416-Q418 PolarHBondContact O-N 2.86Å; Q418-N422 PolarHBondContact NE2-ND2 2.86Å; Q418-N422 VanDerWaalsContact NE2-ND2 3.12Å; Q418-N422 PolarHBondContact O-N 3.27Å; Q418-N422 PolarHBondContact O-ND2 3.39Å |
| 419 | K | 97.6 | Very high | 97 | Very high | 96 Ų | 96 | 26.8 Ų | 26.8 | 42% | 0.417 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -65.5 | -44.7 | 173 | -164.4 | 177.7 | -172.4 | -177.9 | 0 | 111.3 | E415 F416 Q417 N422 Q423 I874 Q875 | E415-K419 PolarHBondContact O-N 3.36Å; E415-K419 VanDerWaalsContact O-N 3.12Å; F416-K419 HydrophobicContact CD2-CB 4.31Å; F416-K419 HydrophobicContact CD2-CD 4.31Å; F416-K419 HydrophobicContact CE2-CD 4.38Å; F416-K419 WeakPolarHBondContact O-CA 3.39Å; F416-K419 VanDerWaalsContact O-CB 3.27Å; F416-K419 WeakPolarHBondContact O-CB 3.45Å; F416-K419 PolarHBondContact O-N 3.08Å; Q417-K419 VanDerWaalsContact C-N 3.28Å; Q417-K419 PolarHBondContact O-N 2.82Å; K419-N422 PolarHBondContact O-N 3.18Å; K419-Q423 WeakPolarHBondContact O-CG 3.47Å; K419-Q423 PolarHBondContact O-NE2 3.07Å; K419-I874 HydrophobicContact CD-CG2 3.95Å; K419-I874 WeakPolarHBondContact CD-O 3.49Å; K419-I874 WeakPolarHBondContact CE-O 3.3Å; K419-I874 HydrophobicContact CG-CG2 3.87Å; K419-I874 PolarHBondContact NZ-O 3.09Å; K419-Q875 PolarHBondContact NZ-O 2.64Å |
| 420 | L | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.2 | -47.5 | 175.5 | -65.4 | 172.4 | 0 | 0 | 0 | 111.5 | Q408 F416 Q417 N422 Q423 I444 I446 F871 I874 | Q408-L420 VanDerWaalsContact NE2-CD1 3.27Å; F416-L420 HydrophobicContact CD1-CD1 3.83Å; F416-L420 HydrophobicContact CD1-CG 4.08Å; F416-L420 HydrophobicContact CE1-CD1 3.68Å; F416-L420 HydrophobicContact CE1-CD2 3.79Å; F416-L420 HydrophobicContact CE1-CG 3.81Å; F416-L420 HydrophobicContact CE2-CD2 4.33Å; F416-L420 HydrophobicContact CE2-CG 4.47Å; F416-L420 HydrophobicContact CZ-CD1 4.37Å; F416-L420 HydrophobicContact CZ-CD2 3.65Å; F416-L420 HydrophobicContact CZ-CG 4.01Å; F416-L420 WeakPolarHBondContact O-CG 3.32Å; F416-L420 PolarHBondContact O-N 3.42Å; Q417-L420 WeakPolarHBondContact O-CB 3.26Å; Q417-L420 PolarHBondContact O-N 2.96Å; L420-N422 PolarHBondContact O-N 3.22Å; L420-Q423 WeakPolarHBondContact O-CB 3.49Å; L420-Q423 WeakPolarHBondContact O-CG 3.32Å; L420-Q423 PolarHBondContact O-N 3.26Å; L420-I444 HydrophobicContact CB-CG2 4.47Å; L420-I444 HydrophobicContact CD1-CG2 3.92Å; L420-I444 HydrophobicContact CD2-CG2 4.07Å; L420-I444 HydrophobicContact CG-CG2 4.4Å; L420-I446 HydrophobicContact CB-CD1 4.25Å; L420-I446 HydrophobicContact CD2-CD1 3.95Å; L420-F871 HydrophobicContact CD1-CD1 4.45Å; L420-F871 HydrophobicContact CD1-CE1 4.13Å; L420-F871 HydrophobicContact CD2-CD1 4.18Å; L420-F871 HydrophobicContact CD2-CE1 4.42Å; L420-I874 HydrophobicContact CD2-CB 4.33Å; L420-I874 HydrophobicContact CD2-CD1 3.49Å; L420-I874 VanDerWaalsContact CD2-CD1 3.49Å; L420-I874 HydrophobicContact CD2-CG2 4.11Å |
| 421 | L | 98.7 | Very high | 97.1 | Very high | 21 Ų | 21 | 26.6 Ų | 26.6 | 11% | 0.11 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -55.3 | -38.6 | 179.3 | -70.9 | 174.6 | 0 | 0 | 0 | 112.6 | Y405 Q417 G445 G447 A448 G449 | Y405-L421 HydrophobicContact CE2-CD2 3.79Å; Q417-L421 VanDerWaalsContact O-CG 3.3Å; Q417-L421 WeakPolarHBondContact O-CG 3.46Å; Q417-L421 PolarHBondContact O-N 2.73Å; L421-G445 WeakPolarHBondContact CA-O 3.46Å; L421-G445 WeakPolarHBondContact CD2-O 3.4Å; L421-G447 CarbonylContact O-C 3.24Å; L421-G447 PolarHBondContact O-N 3.46Å; L421-A448 HydrophobicContact CD2-CB 3.73Å; L421-A448 PolarHBondContact O-N 3.39Å; L421-G449 VanDerWaalsContact O-CA 3.3Å; L421-G449 WeakPolarHBondContact O-CA 3.43Å; L421-G449 PolarHBondContact O-N 2.87Å |
| 422 | N | 98.6 | Very high | 97.2 | Very high | 38 Ų | 38 | 27.3 Ų | 27.3 | 20% | 0.203 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 7.3 | -174 | -68.8 | -61.9 | 0 | 0 | 0 | 114.8 | Q418 K419 L420 K451 | Q418-N422 PolarHBondContact NE2-ND2 2.86Å; Q418-N422 VanDerWaalsContact NE2-ND2 3.12Å; Q418-N422 PolarHBondContact O-N 3.27Å; Q418-N422 PolarHBondContact O-ND2 3.39Å; K419-N422 PolarHBondContact O-N 3.18Å; L420-N422 PolarHBondContact O-N 3.22Å; N422-K451 HydrophobicContact CB-CB 4.39Å; N422-K451 PolarHBondContact OD1-N 3.36Å |
| 423 | Q | 98.6 | Very high | 97.4 | Very high | 18 Ų | 18 | 27.5 Ų | 27.5 | 8% | 0.084 | 14% | 0.138 | C | C | . | . | trans | -67.7 | 147 | 179.4 | -67.5 | -55.8 | -69 | 0 | 0 | 113.4 | K419 L420 Y425 I446 G452 R453 D523 I874 | K419-Q423 WeakPolarHBondContact O-CG 3.47Å; K419-Q423 PolarHBondContact O-NE2 3.07Å; L420-Q423 WeakPolarHBondContact O-CB 3.49Å; L420-Q423 WeakPolarHBondContact O-CG 3.32Å; L420-Q423 PolarHBondContact O-N 3.26Å; Q423-Y425 HydrophobicContact CB-CD2 3.85Å; Q423-Y425 HydrophobicContact CB-CE2 3.94Å; Q423-Y425 HydrophobicContact CG-CE2 4.18Å; Q423-I446 HydrophobicContact CB-CD1 4.36Å; Q423-I446 HydrophobicContact CB-CG2 4.13Å; Q423-I446 HydrophobicContact CG-CD1 4.19Å; Q423-G452 VanDerWaalsContact O-CA 3.28Å; Q423-G452 WeakPolarHBondContact O-CA 3.33Å; Q423-R453 PolarHBondContact O-N 3.36Å; Q423-D523 WeakPolarHBondContact CA-OD2 3.13Å; Q423-D523 VanDerWaalsContact OE1-CB 3.3Å; Q423-I874 HydrophobicContact CG-CD1 3.75Å; Q423-I874 HydrophobicContact CG-CG1 4.09Å; Q423-I874 HydrophobicContact CG-CG2 4.05Å | ||
| 424 | K | 98.8 | Very high | 97.6 | Very high | 84 Ų | 84 | 27.5 Ų | 27.5 | 37% | 0.365 | 14% | 0.137 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 102 | 174 | -65 | 176.4 | -175.6 | 174.8 | 0 | 110.9 | K451 R453 G521 D523 | K424-K451 WeakPolarHBondContact CE-O 3.37Å; K424-R453 CarbonylContact C-O 3.51Å; K424-R453 WeakPolarHBondContact CA-O 3.4Å; K424-R453 HydrophobicContact CG-CB 4.34Å; K424-G521 WeakPolarHBondContact CD-O 3.26Å; K424-D523 PolarHBondContact N-OD2 3.24Å; K424-D523 PolarHBondContact O-N 3.25Å |
| 425 | Y | 98.7 | Very high | 97.8 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.008 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 140.3 | -176.2 | -91.2 | -109.4 | 0 | 0 | 0 | 112.3 | Q423 F441 I446 R453 I454 T455 D523 G524 L870 I874 | Q423-Y425 HydrophobicContact CB-CD2 3.85Å; Q423-Y425 HydrophobicContact CB-CE2 3.94Å; Q423-Y425 HydrophobicContact CG-CE2 4.18Å; Y425-F441 HydrophobicContact CD1-CE2 4.31Å; Y425-F441 HydrophobicContact CD1-CZ 4.21Å; Y425-F441 HydrophobicContact CG-CE2 4.42Å; Y425-I446 HydrophobicContact CD2-CG2 4.19Å; Y425-I446 HydrophobicContact CG-CG2 4.41Å; Y425-R453 PolarHBondContact N-O 3.11Å; Y425-I454 WeakPolarHBondContact O-CA 3.49Å; Y425-T455 PolarHBondContact O-N 3.18Å; Y425-D523 HydrophobicContact CE2-CB 4.26Å; Y425-G524 WeakPolarHBondContact CA-O 3.33Å; Y425-L870 HydrophobicContact CD1-CD1 4.3Å; Y425-L870 HydrophobicContact CE1-CD1 3.39Å; Y425-L870 HydrophobicContact CE2-CD1 4.18Å; Y425-L870 WeakPolarHBondContact OH-CD1 3.26Å; Y425-I874 HydrophobicContact CE2-CD1 4.36Å; Y425-I874 HydrophobicContact CE2-CG1 4.37Å |
| 426 | F | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 124.2 | 167.6 | 179.8 | -143.1 | 0 | 0 | 0 | 110 | V428 T455 T457 L506 Y514 F518 F519 L522 G524 V525 A526 | F426-V428 HydrophobicContact CD1-CG2 3.82Å; F426-V428 HydrophobicContact CD2-CG2 4.46Å; F426-V428 HydrophobicContact CE1-CG2 3.48Å; F426-V428 VanDerWaalsContact CE1-CG2 3.48Å; F426-V428 HydrophobicContact CE2-CG2 4.17Å; F426-V428 HydrophobicContact CG-CG2 4.32Å; F426-V428 HydrophobicContact CZ-CG2 3.68Å; F426-T455 WeakPolarHBondContact CA-O 3.47Å; F426-T455 HydrophobicContact CD2-CG2 4.02Å; F426-T455 WeakPolarHBondContact CD2-O 3.43Å; F426-T455 HydrophobicContact CE2-CG2 4.18Å; F426-T457 HydrophobicContact CE2-CG2 3.64Å; F426-T457 HydrophobicContact CZ-CG2 3.64Å; F426-L506 HydrophobicContact CE1-CD1 4.15Å; F426-L506 HydrophobicContact CZ-CD1 4.27Å; F426-Y514 HydrophobicContact CE2-CD1 4.38Å; F426-Y514 AromaticContact CE2-CE1 3.91Å; F426-Y514 HydrophobicContact CE2-CE1 3.91Å; F426-Y514 AromaticContact CZ-CD1 3.99Å; F426-Y514 HydrophobicContact CZ-CD1 3.99Å; F426-Y514 HydrophobicContact CZ-CD2 4.35Å; F426-Y514 AromaticContact CZ-CE1 3.82Å; F426-Y514 HydrophobicContact CZ-CE1 3.82Å; F426-Y514 HydrophobicContact CZ-CE2 4.18Å; F426-Y514 HydrophobicContact CZ-CG 4.25Å; F426-Y514 AromaticContact CZ-CZ 3.93Å; F426-F518 HydrophobicContact CB-CE1 4.19Å; F426-F518 HydrophobicContact CB-CZ 4.15Å; F426-F518 AromaticContact CD1-CE1 3.74Å; F426-F518 HydrophobicContact CD1-CE1 3.74Å; F426-F518 HydrophobicContact CD1-CZ 4.24Å; F426-F518 HydrophobicContact CD2-CE1 4.09Å; F426-F518 AromaticContact CD2-CZ 3.74Å; F426-F518 HydrophobicContact CD2-CZ 3.74Å; F426-F518 HydrophobicContact CE1-CE1 4.02Å; F426-F518 HydrophobicContact CE2-CE1 4.37Å; F426-F518 HydrophobicContact CE2-CZ 4.13Å; F426-F518 AromaticContact CG-CE1 3.76Å; F426-F518 HydrophobicContact CG-CE1 3.76Å; F426-F518 AromaticContact CG-CZ 3.8Å; F426-F518 HydrophobicContact CG-CZ 3.8Å; F426-F518 HydrophobicContact CZ-CE1 4.32Å; F426-F519 HydrophobicContact CD1-CZ 4.49Å; F426-F519 HydrophobicContact CE1-CZ 4.38Å; F426-L522 HydrophobicContact CB-CD1 3.43Å; F426-L522 VanDerWaalsContact CB-CD1 3.43Å; F426-L522 HydrophobicContact CB-CD2 3.93Å; F426-L522 HydrophobicContact CB-CG 4.32Å; F426-L522 HydrophobicContact CD1-CD1 4.34Å; F426-L522 HydrophobicContact CG-CD1 4.26Å; F426-G524 PolarHBondContact N-O 3.25Å; F426-G524 VanDerWaalsContact N-O 3.14Å; F426-V525 HydrophobicContact CB-CG2 4.48Å; F426-V525 CarbonylContact O-C 3.47Å; F426-V525 WeakPolarHBondContact O-CA 3.21Å; F426-A526 PolarHBondContact O-N 3.37Å |
| 427 | M | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 124.3 | 179.2 | 175.2 | 162.6 | 20.6 | 0 | 0 | 110.6 | L437 L438 F441 I454 T455 V456 T457 A526 | M427-L437 HydrophobicContact SD-CB 4.08Å; M427-L438 HydrophobicContact CE-CB 4.4Å; M427-L438 HydrophobicContact CE-CD1 4.3Å; M427-L438 HydrophobicContact CE-CD2 3.18Å; M427-L438 HydrophobicContact CE-CG 3.32Å; M427-L438 HydrophobicContact SD-CD2 4.32Å; M427-L438 HydrophobicContact SD-CG 3.79Å; M427-F441 HydrophobicContact CE-CD2 3.96Å; M427-F441 HydrophobicContact CE-CE2 4.04Å; M427-I454 HydrophobicContact CE-CG2 3.89Å; M427-T455 PolarHBondContact N-O 2.75Å; M427-V456 HydrophobicContact CB-CB 4.47Å; M427-V456 HydrophobicContact CB-CG2 4.38Å; M427-V456 HydrophobicContact CG-CG2 4.18Å; M427-V456 WeakPolarHBondContact O-CA 3.26Å; M427-T457 PolarHBondContact O-N 3.18Å; M427-A526 WeakPolarHBondContact CA-O 3.45Å |
| 428 | V | 98.4 | Very high | 98.3 | Very high | 4 Ų | 4 | 19.5 Ų | 19.5 | 2% | 0.024 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 107.4 | -175.5 | -166.5 | 0 | 0 | 0 | 0 | 108.7 | F426 T457 L506 A526 A528 L529 L538 | F426-V428 HydrophobicContact CD1-CG2 3.82Å; F426-V428 HydrophobicContact CD2-CG2 4.46Å; F426-V428 HydrophobicContact CE1-CG2 3.48Å; F426-V428 VanDerWaalsContact CE1-CG2 3.48Å; F426-V428 HydrophobicContact CE2-CG2 4.17Å; F426-V428 HydrophobicContact CG-CG2 4.32Å; F426-V428 HydrophobicContact CZ-CG2 3.68Å; V428-T457 HydrophobicContact CG1-CG2 4.01Å; V428-L506 HydrophobicContact CG1-CB 3.88Å; V428-L506 HydrophobicContact CG1-CD2 3.74Å; V428-L506 HydrophobicContact CG1-CG 4.33Å; V428-L506 HydrophobicContact CG2-CD2 4.26Å; V428-A526 PolarHBondContact N-O 2.98Å; V428-A528 CarbonylContact O-C 3.52Å; V428-A528 WeakPolarHBondContact O-CA 3.27Å; V428-A528 PolarHBondContact O-N 3.08Å; V428-L529 HydrophobicContact CB-CD2 4.38Å; V428-L529 HydrophobicContact CG1-CD2 3.73Å; V428-L529 HydrophobicContact CG1-CG 4.47Å; V428-L538 HydrophobicContact CB-CD2 3.89Å; V428-L538 HydrophobicContact CG1-CD2 4.5Å; V428-L538 HydrophobicContact CG2-CD1 3.98Å; V428-L538 HydrophobicContact CG2-CD2 3.63Å; V428-L538 HydrophobicContact CG2-CG 4.46Å |
| 429 | G | 97.8 | Very high | 98.4 | Very high | 9 Ų | 9 | 14.7 Ų | 14.7 | 9% | 0.093 | 8% | 0.076 | C | C | . | . | trans | 102.8 | 132.8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T457 | G429-T457 PolarHBondContact N-O 2.81Š| ||
| 430 | A | 97.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 6% | 0.056 | C | C | . | . | trans | -120.4 | 24.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | V456 D458 K482 A486 | A430-V456 HydrophobicContact CB-CG2 4.14Å; A430-D458 WeakPolarHBondContact CA-OD2 3.33Å; A430-D458 HydrophobicContact CB-CB 3.67Å; A430-D458 PolarHBondContact N-OD2 2.97Å; A430-K482 HydrophobicContact CB-CB 3.96Å; A430-A486 HydrophobicContact CB-CB 4.45Å | ||
| 431 | G | 96.7 | Very high | 98.5 | Very high | 11 Ų | 11 | 10.1 Ų | 10.1 | 11% | 0.113 | 6% | 0.056 | C | C | . | . | S | Bend | trans | -74.9 | -147.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | G434 C435 D458 | G431-G434 PolarHBondContact O-N 2.85Å; G431-C435 WeakPolarHBondContact O-CB 3.49Å; G431-C435 PolarHBondContact O-N 3.34Å; G431-C435 PolarHBondContact O-SG 3.34Å; G431-D458 PolarHBondContact N-OD2 3.47Å |
| 432 | A | 97.8 | Very high | 98.5 | Very high | 15 Ų | 15 | 9.1 Ų | 9.1 | 12% | 0.124 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -60.1 | -56.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G434 C435 E436 R469 Q470 T859 | A432-G434 VanDerWaalsContact C-N 3.3Å; A432-G434 PolarHBondContact O-N 2.87Å; A432-C435 PolarHBondContact O-N 2.99Å; A432-E436 PolarHBondContact O-N 2.94Å; A432-R469 HydrophobicContact CB-CB 4.48Å; A432-R469 HydrophobicContact CB-CG 3.84Å; A432-Q470 HydrophobicContact CB-CG 4.27Å; A432-T859 HydrophobicContact CB-CG2 3.69Å; A432-T859 WeakPolarHBondContact O-CG2 3.37Å |
| 433 | I | 98.4 | Very high | 98.5 | Very high | 10 Ų | 10 | 7.4 Ų | 7.4 | 5% | 0.051 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -62.3 | -39.7 | 176.5 | -64.7 | 176.2 | 0 | 0 | 0 | 110.4 | C435 E436 L437 A528 G552 T554 T859 V862 M866 | I433-C435 PolarHBondContact O-N 3.07Å; I433-E436 PolarHBondContact O-N 3.47Å; I433-L437 HydrophobicContact CG2-CD1 3.69Å; I433-L437 HydrophobicContact CG2-CG 3.95Å; I433-L437 WeakPolarHBondContact O-CB 3.44Å; I433-L437 WeakPolarHBondContact O-CG 3.43Å; I433-L437 PolarHBondContact O-N 3.48Å; I433-A528 HydrophobicContact CB-CB 4.06Å; I433-A528 HydrophobicContact CG2-CB 3.93Å; I433-G552 WeakPolarHBondContact CD1-O 3.35Å; I433-T554 HydrophobicContact CD1-CG2 4.09Å; I433-T554 HydrophobicContact CG1-CG2 4.35Å; I433-T859 HydrophobicContact CB-CG2 4.5Å; I433-T859 HydrophobicContact CG1-CG2 3.94Å; I433-V862 HydrophobicContact CD1-CG1 4.38Å; I433-M866 HydrophobicContact CG2-SD 4.01Å |
| 434 | G | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -61.6 | -41.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | G431 A432 L437 L438 | G431-G434 PolarHBondContact O-N 2.85Å; A432-G434 VanDerWaalsContact C-N 3.3Å; A432-G434 PolarHBondContact O-N 2.87Å; G434-L437 PolarHBondContact O-N 3.24Å; G434-L438 VanDerWaalsContact O-CB 3.3Å; G434-L438 WeakPolarHBondContact O-CB 3.15Å; G434-L438 WeakPolarHBondContact O-CG 3.47Å; G434-L438 PolarHBondContact O-N 3.42Å |
| 435 | C | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 2.6 Ų | 2.6 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -61.7 | -44.5 | 173.9 | -73.2 | 0 | 0 | 0 | 0 | 112.3 | G431 A432 I433 K439 L472 | G431-C435 WeakPolarHBondContact O-CB 3.49Å; G431-C435 PolarHBondContact O-N 3.34Å; G431-C435 PolarHBondContact O-SG 3.34Å; A432-C435 PolarHBondContact O-N 2.99Å; I433-C435 PolarHBondContact O-N 3.07Å; C435-K439 PolarHBondContact O-N 3.35Å; C435-L472 HydrophobicContact CB-CB 4.49Å; C435-L472 HydrophobicContact CB-CD1 3.85Å; C435-L472 HydrophobicContact CB-CG 3.89Å |
| 436 | E | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 2.5 Ų | 2.5 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -67.1 | -41.9 | 178.6 | -70.6 | -63.6 | 150.1 | 0 | 0 | 112.4 | K46 A432 I433 K439 N440 F471 T859 A863 | K46-E436 IonicContact NZ-OE1 3.04Å; K46-E436 PolarHBondContact NZ-OE1 2.72Å; A432-E436 PolarHBondContact O-N 2.94Å; I433-E436 PolarHBondContact O-N 3.47Å; E436-K439 PolarHBondContact O-N 2.92Å; E436-K439 WeakPolarHBondContact OE2-CE 3.36Å; E436-K439 IonicContact OE2-NZ 2.68Å; E436-K439 PolarHBondContact OE2-NZ 2.89Å; E436-N440 PolarHBondContact O-N 2.85Å; E436-N440 PolarHBondContact O-ND2 2.84Å; E436-F471 WeakPolarHBondContact OE1-CD1 3.16Å; E436-F471 WeakPolarHBondContact OE1-CE1 3.47Å; E436-T859 HydrophobicContact CG-CG2 3.79Å; E436-A863 HydrophobicContact CB-CB 3.41Å; E436-A863 VanDerWaalsContact CB-CB 3.41Å; E436-A863 HydrophobicContact CG-CB 4.4Å |
| 437 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 2.5 Ų | 2.5 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -65.2 | -44 | 175.4 | -72.4 | 177.4 | 0 | 0 | 0 | 111.5 | M427 I433 G434 K439 N440 F441 A526 A528 A863 M866 | M427-L437 HydrophobicContact SD-CB 4.08Å; I433-L437 HydrophobicContact CG2-CD1 3.69Å; I433-L437 HydrophobicContact CG2-CG 3.95Å; I433-L437 WeakPolarHBondContact O-CB 3.44Å; I433-L437 WeakPolarHBondContact O-CG 3.43Å; I433-L437 PolarHBondContact O-N 3.48Å; G434-L437 PolarHBondContact O-N 3.24Å; L437-K439 PolarHBondContact O-N 3.22Å; L437-N440 CarbonylContact O-C 3.59Å; L437-N440 PolarHBondContact O-N 2.77Å; L437-F441 WeakPolarHBondContact O-CB 3.32Å; L437-F441 WeakPolarHBondContact O-CD1 3.4Å; L437-F441 VanDerWaalsContact O-CG 3.3Å; L437-F441 WeakPolarHBondContact O-CG 3.34Å; L437-F441 PolarHBondContact O-N 2.77Å; L437-A526 HydrophobicContact CD1-CB 4.21Å; L437-A528 HydrophobicContact CD1-CB 4.39Å; L437-A863 HydrophobicContact CD2-CB 4.18Å; L437-A863 HydrophobicContact CG-CB 4.43Å; L437-M866 HydrophobicContact CD1-CE 3.79Å; L437-M866 HydrophobicContact CD1-SD 4.32Å; L437-M866 HydrophobicContact CD2-CB 4.06Å; L437-M866 HydrophobicContact CD2-CE 4.26Å; L437-M866 HydrophobicContact CD2-SD 4.19Å |
| 438 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -59.5 | -43.8 | 176 | -86.9 | 169.6 | 0 | 0 | 0 | 112.4 | M427 G434 F441 A442 L472 A486 V490 I499 | M427-L438 HydrophobicContact CE-CB 4.4Å; M427-L438 HydrophobicContact CE-CD1 4.3Å; M427-L438 HydrophobicContact CE-CD2 3.18Å; M427-L438 HydrophobicContact CE-CG 3.32Å; M427-L438 HydrophobicContact SD-CD2 4.32Å; M427-L438 HydrophobicContact SD-CG 3.79Å; G434-L438 VanDerWaalsContact O-CB 3.3Å; G434-L438 WeakPolarHBondContact O-CB 3.15Å; G434-L438 WeakPolarHBondContact O-CG 3.47Å; G434-L438 PolarHBondContact O-N 3.42Å; L438-F441 PolarHBondContact O-N 2.97Å; L438-A442 WeakPolarHBondContact O-CB 3.46Å; L438-A442 PolarHBondContact O-N 2.74Å; L438-L472 HydrophobicContact CB-CD1 4.24Å; L438-L472 HydrophobicContact CD1-CD1 4.33Å; L438-A486 HydrophobicContact CD1-CB 3.58Å; L438-V490 HydrophobicContact CB-CG2 3.69Å; L438-V490 HydrophobicContact CD1-CG2 4.46Å; L438-V490 HydrophobicContact CG-CG2 4.45Å; L438-I499 HydrophobicContact CD2-CD1 3.92Å |
| 439 | K | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 3.2 Ų | 3.2 | 0% | 0.004 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -59.6 | -49.6 | 173.5 | 172 | -112.4 | -58.5 | -174.8 | 0 | 111 | E43 F73 C435 E436 L437 F441 A442 L443 F471 M493 | E43-K439 IonicContact OE1-NZ 2.69Å; E43-K439 PolarHBondContact OE1-NZ 2.93Å; E43-K439 IonicContact OE2-NZ 3.72Å; E43-K439 PolarHBondContact OE2-NZ 3.08Å; F73-K439 HydrophobicContact CB-CG 3.91Å; F73-K439 HydrophobicContact CD1-CD 3.73Å; F73-K439 HydrophobicContact CD1-CG 4.04Å; F73-K439 HydrophobicContact CE1-CD 4.2Å; F73-K439 HydrophobicContact CG-CD 4.15Å; F73-K439 HydrophobicContact CG-CG 3.93Å; C435-K439 PolarHBondContact O-N 3.35Å; E436-K439 PolarHBondContact O-N 2.92Å; E436-K439 WeakPolarHBondContact OE2-CE 3.36Å; E436-K439 IonicContact OE2-NZ 2.68Å; E436-K439 PolarHBondContact OE2-NZ 2.89Å; L437-K439 PolarHBondContact O-N 3.22Å; K439-F441 VanDerWaalsContact C-N 3.34Å; K439-F441 PolarHBondContact O-N 2.9Å; K439-A442 WeakPolarHBondContact O-CB 3.18Å; K439-A442 PolarHBondContact O-N 2.82Å; K439-L443 HydrophobicContact CD-CD1 3.81Å; K439-L443 HydrophobicContact CG-CD1 3.99Å; K439-L443 VanDerWaalsContact O-CG 3.32Å; K439-L443 WeakPolarHBondContact O-CG 3.36Å; K439-L443 PolarHBondContact O-N 3.34Å; K439-L443 VanDerWaalsContact O-N 3.09Å; K439-F471 HydrophobicContact CB-CE1 4.21Å; K439-F471 HydrophobicContact CB-CZ 3.77Å; K439-F471 HydrophobicContact CD-CZ 4.35Å; K439-F471 HydrophobicContact CG-CZ 3.82Å; K439-M493 HydrophobicContact CB-SD 4.38Å; K439-M493 HydrophobicContact CG-SD 4.25Å |
| 440 | N | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -61 | -42.1 | 177.1 | -80.5 | -72.9 | 0 | 0 | 0 | 111.8 | A349 E436 L437 A442 L443 I444 C867 | A349-N440 PolarHBondContact O-OD1 2.73Å; E436-N440 PolarHBondContact O-N 2.85Å; E436-N440 PolarHBondContact O-ND2 2.84Å; L437-N440 CarbonylContact O-C 3.59Å; L437-N440 PolarHBondContact O-N 2.77Å; N440-A442 VanDerWaalsContact C-N 3.3Å; N440-A442 PolarHBondContact O-N 3.37Å; N440-L443 PolarHBondContact O-N 3.43Å; N440-I444 HydrophobicContact CB-CD1 4.39Å; N440-I444 VanDerWaalsContact O-CB 3.27Å; N440-I444 WeakPolarHBondContact O-CB 3.08Å; N440-I444 WeakPolarHBondContact O-CD1 3.31Å; N440-I444 WeakPolarHBondContact O-CG1 3.23Å; N440-I444 PolarHBondContact O-N 3.42Å; N440-C867 HydrophobicContact CB-CB 4.4Å; N440-C867 WeakPolarHBondContact CB-SG 3.2Å |
| 441 | F | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.6 | -40 | 177.9 | -79.2 | 17.1 | 0 | 0 | 0 | 111.6 | Y425 M427 L437 L438 K439 G445 I446 I454 A526 L870 | Y425-F441 HydrophobicContact CD1-CE2 4.31Å; Y425-F441 HydrophobicContact CD1-CZ 4.21Å; Y425-F441 HydrophobicContact CG-CE2 4.42Å; M427-F441 HydrophobicContact CE-CD2 3.96Å; M427-F441 HydrophobicContact CE-CE2 4.04Å; L437-F441 WeakPolarHBondContact O-CB 3.32Å; L437-F441 WeakPolarHBondContact O-CD1 3.4Å; L437-F441 VanDerWaalsContact O-CG 3.3Å; L437-F441 WeakPolarHBondContact O-CG 3.34Å; L437-F441 PolarHBondContact O-N 2.77Å; L438-F441 PolarHBondContact O-N 2.97Å; K439-F441 VanDerWaalsContact C-N 3.34Å; K439-F441 PolarHBondContact O-N 2.9Å; F441-G445 CarbonylContact O-C 3.59Å; F441-G445 WeakPolarHBondContact O-CA 3.38Å; F441-G445 PolarHBondContact O-N 2.87Å; F441-I446 HydrophobicContact CB-CB 3.95Å; F441-I446 HydrophobicContact CB-CG1 4.24Å; F441-I446 HydrophobicContact CD1-CG1 4.2Å; F441-I446 HydrophobicContact CD2-CB 4.28Å; F441-I446 HydrophobicContact CD2-CG2 4.05Å; F441-I446 HydrophobicContact CE2-CG2 4.48Å; F441-I446 HydrophobicContact CG-CB 4.05Å; F441-I446 HydrophobicContact CG-CG1 4.1Å; F441-I446 HydrophobicContact CG-CG2 4.31Å; F441-I446 PolarHBondContact O-N 2.69Å; F441-I454 HydrophobicContact CB-CD1 4.14Å; F441-I454 HydrophobicContact CD2-CD1 3.94Å; F441-I454 HydrophobicContact CD2-CG1 4.41Å; F441-A526 HydrophobicContact CE2-CB 4.5Å; F441-A526 HydrophobicContact CZ-CB 3.99Å; F441-L870 HydrophobicContact CD1-CD2 4.04Å; F441-L870 HydrophobicContact CE1-CD2 3.62Å; F441-L870 HydrophobicContact CZ-CD2 4.39Å |
| 442 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.8 | -43.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L438 K439 N440 G445 V490 N494 I497 | L438-A442 WeakPolarHBondContact O-CB 3.46Å; L438-A442 PolarHBondContact O-N 2.74Å; K439-A442 WeakPolarHBondContact O-CB 3.18Å; K439-A442 PolarHBondContact O-N 2.82Å; N440-A442 VanDerWaalsContact C-N 3.3Å; N440-A442 PolarHBondContact O-N 3.37Å; A442-G445 PolarHBondContact O-N 2.91Å; A442-V490 HydrophobicContact CB-CG1 3.5Å; A442-N494 HydrophobicContact CB-CB 4.03Å; A442-N494 PolarHBondContact O-ND2 2.68Å; A442-I497 HydrophobicContact CB-CD1 3.85Å |
| 443 | L | 98.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.01 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -69.7 | -40.6 | 178.8 | -65.4 | 170.7 | 0 | 0 | 0 | 111.8 | S71 F73 A349 Y405 K439 N440 G445 | S71-L443 WeakPolarHBondContact O-CD1 3.48Å; F73-L443 HydrophobicContact CB-CD1 4.14Å; F73-L443 HydrophobicContact CB-CD2 4.14Å; F73-L443 HydrophobicContact CB-CG 4.45Å; F73-L443 HydrophobicContact CD1-CD1 4.18Å; A349-L443 HydrophobicContact CB-CB 3.57Å; A349-L443 HydrophobicContact CB-CD1 3.52Å; A349-L443 HydrophobicContact CB-CG 4.2Å; Y405-L443 WeakPolarHBondContact CE1-O 3.24Å; K439-L443 HydrophobicContact CD-CD1 3.81Å; K439-L443 HydrophobicContact CG-CD1 3.99Å; K439-L443 VanDerWaalsContact O-CG 3.32Å; K439-L443 WeakPolarHBondContact O-CG 3.36Å; K439-L443 PolarHBondContact O-N 3.34Å; K439-L443 VanDerWaalsContact O-N 3.09Å; N440-L443 PolarHBondContact O-N 3.43Å; L443-G445 VanDerWaalsContact C-N 3.29Å; L443-G445 PolarHBondContact O-N 3.13Å |
| 444 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -67.7 | -31.9 | 174.4 | -67.4 | 169.1 | 0 | 0 | 0 | 111.1 | P350 Q408 Q417 L420 N440 I446 C867 L870 F871 | P350-I444 HydrophobicContact CG-CD1 3.79Å; P350-I444 HydrophobicContact CG-CG1 4.29Å; Q408-I444 PolarHBondContact NE2-O 3.47Å; Q417-I444 PolarHBondContact NE2-O 2.74Å; L420-I444 HydrophobicContact CB-CG2 4.47Å; L420-I444 HydrophobicContact CD1-CG2 3.92Å; L420-I444 HydrophobicContact CD2-CG2 4.07Å; L420-I444 HydrophobicContact CG-CG2 4.4Å; N440-I444 HydrophobicContact CB-CD1 4.39Å; N440-I444 VanDerWaalsContact O-CB 3.27Å; N440-I444 WeakPolarHBondContact O-CB 3.08Å; N440-I444 WeakPolarHBondContact O-CD1 3.31Å; N440-I444 WeakPolarHBondContact O-CG1 3.23Å; N440-I444 PolarHBondContact O-N 3.42Å; I444-I446 HydrophobicContact CB-CG1 4.3Å; I444-I446 HydrophobicContact CG2-CD1 3.79Å; I444-I446 HydrophobicContact CG2-CG1 3.87Å; I444-C867 HydrophobicContact CD1-CB 3.98Å; I444-L870 HydrophobicContact CD1-CD2 4.19Å; I444-F871 HydrophobicContact CD1-CE1 4.24Å; I444-F871 HydrophobicContact CD1-CZ 4.12Å; I444-F871 HydrophobicContact CG1-CE1 4.24Å; I444-F871 HydrophobicContact CG1-CZ 4.09Å; I444-F871 HydrophobicContact CG2-CE1 3.88Å |
| 445 | G | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95.9 | 16.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L421 F441 A442 L443 G447 A448 | L421-G445 WeakPolarHBondContact CA-O 3.46Å; L421-G445 WeakPolarHBondContact CD2-O 3.4Å; F441-G445 CarbonylContact O-C 3.59Å; F441-G445 WeakPolarHBondContact O-CA 3.38Å; F441-G445 PolarHBondContact O-N 2.87Å; A442-G445 PolarHBondContact O-N 2.91Å; L443-G445 VanDerWaalsContact C-N 3.29Å; L443-G445 PolarHBondContact O-N 3.13Å; G445-G447 PolarHBondContact O-N 3.41Å; G445-A448 WeakPolarHBondContact O-CB 3.42Å; G445-A448 PolarHBondContact O-N 3.39Å; G445-A448 VanDerWaalsContact O-N 3.11Å |
| 446 | I | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 127.2 | 177.7 | -57.8 | -58.3 | 0 | 0 | 0 | 110 | L420 Q423 Y425 F441 I444 A448 I454 L870 I874 | L420-I446 HydrophobicContact CB-CD1 4.25Å; L420-I446 HydrophobicContact CD2-CD1 3.95Å; Q423-I446 HydrophobicContact CB-CD1 4.36Å; Q423-I446 HydrophobicContact CB-CG2 4.13Å; Q423-I446 HydrophobicContact CG-CD1 4.19Å; Y425-I446 HydrophobicContact CD2-CG2 4.19Å; Y425-I446 HydrophobicContact CG-CG2 4.41Å; F441-I446 HydrophobicContact CB-CB 3.95Å; F441-I446 HydrophobicContact CB-CG1 4.24Å; F441-I446 HydrophobicContact CD1-CG1 4.2Å; F441-I446 HydrophobicContact CD2-CB 4.28Å; F441-I446 HydrophobicContact CD2-CG2 4.05Å; F441-I446 HydrophobicContact CE2-CG2 4.48Å; F441-I446 HydrophobicContact CG-CB 4.05Å; F441-I446 HydrophobicContact CG-CG1 4.1Å; F441-I446 HydrophobicContact CG-CG2 4.31Å; F441-I446 PolarHBondContact O-N 2.69Å; I444-I446 HydrophobicContact CB-CG1 4.3Å; I444-I446 HydrophobicContact CG2-CD1 3.79Å; I444-I446 HydrophobicContact CG2-CG1 3.87Å; I446-A448 PolarHBondContact O-N 3.4Å; I446-I454 HydrophobicContact CB-CD1 4.38Å; I446-I454 HydrophobicContact CG2-CD1 4.11Å; I446-I454 HydrophobicContact CG2-CG1 4.06Å; I446-I454 VanDerWaalsContact O-CD1 3.28Å; I446-I454 WeakPolarHBondContact O-CD1 3.29Å; I446-L870 HydrophobicContact CD1-CD2 4.12Å; I446-L870 HydrophobicContact CG1-CD2 4.09Å; I446-I874 HydrophobicContact CD1-CD1 3.71Å |
| 447 | G | 97.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 6.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | L421 G445 K498 | L421-G447 CarbonylContact O-C 3.24Å; L421-G447 PolarHBondContact O-N 3.46Å; G445-G447 PolarHBondContact O-N 3.41Å; G447-K498 WeakPolarHBondContact O-CB 3.29Å; G447-K498 PolarHBondContact O-N 2.8Å |
| 448 | A | 97.9 | Very high | 98.2 | Very high | 11 Ų | 11 | 22.6 Ų | 22.6 | 9% | 0.091 | 10% | 0.104 | C | C | . | . | trans | -85.6 | -13.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L421 G445 I446 Q496 | L421-A448 HydrophobicContact CD2-CB 3.73Å; L421-A448 PolarHBondContact O-N 3.39Å; G445-A448 WeakPolarHBondContact O-CB 3.42Å; G445-A448 PolarHBondContact O-N 3.39Å; G445-A448 VanDerWaalsContact O-N 3.11Å; I446-A448 PolarHBondContact O-N 3.4Å; A448-Q496 VanDerWaalsContact CA-O 3.3Å; A448-Q496 WeakPolarHBondContact CA-O 3.44Å; A448-Q496 HydrophobicContact CB-CB 3.86Å | ||
| 449 | G | 97.3 | Very high | 97.9 | Very high | 8 Ų | 8 | 26.3 Ų | 26.3 | 8% | 0.082 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -76 | 172.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L421 K451 G452 K498 | L421-G449 VanDerWaalsContact O-CA 3.3Å; L421-G449 WeakPolarHBondContact O-CA 3.43Å; L421-G449 PolarHBondContact O-N 2.87Å; G449-K451 VanDerWaalsContact C-N 3.33Å; G449-K451 PolarHBondContact O-N 3.33Å; G449-G452 PolarHBondContact O-N 2.67Å; G449-K498 PolarHBondContact O-NZ 3.38Å |
| 450 | E | 95.8 | Very high | 97.7 | Very high | 169 Ų | 169 | 28.8 Ų | 28.8 | 79% | 0.79 | 14% | 0.136 | S | C | * | . | S | Bend | trans | -57.1 | -46.1 | -178.6 | -168.8 | -178.9 | 178.3 | 0 | 0 | 112.3 | K498 | E450-K498 VanDerWaalsContact CA-NZ 3.35Å; E450-K498 PolarHBondContact O-NZ 3.36Å |
| 451 | K | 95.8 | Very high | 97.5 | Very high | 149 Ų | 149 | 34.7 Ų | 34.7 | 65% | 0.648 | 16% | 0.159 | S | C | * | . | S | Bend | trans | -90.8 | -8.3 | -178.4 | -61.1 | 178.9 | -177.9 | 176.9 | 0 | 113.6 | N422 K424 G449 | N422-K451 HydrophobicContact CB-CB 4.39Å; N422-K451 PolarHBondContact OD1-N 3.36Å; K424-K451 WeakPolarHBondContact CE-O 3.37Å; G449-K451 VanDerWaalsContact C-N 3.33Å; G449-K451 PolarHBondContact O-N 3.33Å |
| 452 | G | 97.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | trans | -72.1 | 149 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q423 G449 | Q423-G452 VanDerWaalsContact O-CA 3.28Å; Q423-G452 WeakPolarHBondContact O-CA 3.33Å; G449-G452 PolarHBondContact O-N 2.67Å | ||
| 453 | R | 98.1 | Very high | 97 | Very high | 107 Ų | 107 | 37.1 Ų | 37.1 | 40% | 0.404 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 138.6 | 176.5 | -171.8 | 59.7 | 56.4 | 164 | 2.8 | 111 | Q423 K424 Y425 | Q423-R453 PolarHBondContact O-N 3.36Å; K424-R453 CarbonylContact C-O 3.51Å; K424-R453 WeakPolarHBondContact CA-O 3.4Å; K424-R453 HydrophobicContact CG-CB 4.34Å; Y425-R453 PolarHBondContact N-O 3.11Å |
| 454 | I | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 133.3 | 164.4 | -63.7 | 162.4 | 0 | 0 | 0 | 107.7 | Y425 M427 F441 I446 I497 K498 I499 T500 | Y425-I454 WeakPolarHBondContact O-CA 3.49Å; M427-I454 HydrophobicContact CE-CG2 3.89Å; F441-I454 HydrophobicContact CB-CD1 4.14Å; F441-I454 HydrophobicContact CD2-CD1 3.94Å; F441-I454 HydrophobicContact CD2-CG1 4.41Å; I446-I454 HydrophobicContact CB-CD1 4.38Å; I446-I454 HydrophobicContact CG2-CD1 4.11Å; I446-I454 HydrophobicContact CG2-CG1 4.06Å; I446-I454 VanDerWaalsContact O-CD1 3.28Å; I446-I454 WeakPolarHBondContact O-CD1 3.29Å; I454-I497 HydrophobicContact CD1-CD1 3.62Å; I454-I497 HydrophobicContact CD1-CG1 3.92Å; I454-K498 PolarHBondContact N-O 3.12Å; I454-I499 HydrophobicContact CB-CG1 4.19Å; I454-I499 HydrophobicContact CB-CG2 4.47Å; I454-I499 HydrophobicContact CD1-CG1 4.36Å; I454-I499 HydrophobicContact CG2-CG2 4.28Å; I454-I499 CarbonylContact O-C 3.32Å; I454-I499 VanDerWaalsContact O-CA 3.32Å; I454-I499 WeakPolarHBondContact O-CA 3.45Å; I454-T500 PolarHBondContact O-N 3.15Å |
| 455 | T | 98.8 | Very high | 96.4 | Very high | 12 Ų | 12 | 43.5 Ų | 43.5 | 7% | 0.074 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 126.2 | 163.9 | -57.7 | 0 | 0 | 0 | 0 | 107.1 | Y425 F426 M427 T500 F518 | Y425-T455 PolarHBondContact O-N 3.18Å; F426-T455 WeakPolarHBondContact CA-O 3.47Å; F426-T455 HydrophobicContact CD2-CG2 4.02Å; F426-T455 WeakPolarHBondContact CD2-O 3.43Å; F426-T455 HydrophobicContact CE2-CG2 4.18Å; M427-T455 PolarHBondContact N-O 2.75Å; T455-T500 CarbonylContact C-O 3.37Å; T455-T500 WeakPolarHBondContact CA-O 3.39Å; T455-F518 HydrophobicContact CG2-CE2 4.05Å; T455-F518 HydrophobicContact CG2-CZ 3.98Å |
| 456 | V | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 132.9 | 175 | 61.1 | 0 | 0 | 0 | 0 | 109.3 | M427 A430 I499 T500 A501 H502 | M427-V456 HydrophobicContact CB-CB 4.47Å; M427-V456 HydrophobicContact CB-CG2 4.38Å; M427-V456 HydrophobicContact CG-CG2 4.18Å; M427-V456 WeakPolarHBondContact O-CA 3.26Å; A430-V456 HydrophobicContact CB-CG2 4.14Å; V456-I499 HydrophobicContact CB-CG2 4.48Å; V456-I499 HydrophobicContact CG1-CG2 3.64Å; V456-T500 PolarHBondContact N-O 3.12Å; V456-A501 HydrophobicContact CG1-CB 4.08Å; V456-A501 CarbonylContact O-C 3.53Å; V456-A501 WeakPolarHBondContact O-CA 3.36Å; V456-H502 PolarHBondContact O-N 2.87Å |
| 457 | T | 98.6 | Very high | 96.2 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.012 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 133.2 | 175.1 | -159.8 | 0 | 0 | 0 | 0 | 111 | F426 M427 V428 G429 H502 N504 Y514 | F426-T457 HydrophobicContact CE2-CG2 3.64Å; F426-T457 HydrophobicContact CZ-CG2 3.64Å; M427-T457 PolarHBondContact O-N 3.18Å; V428-T457 HydrophobicContact CG1-CG2 4.01Å; G429-T457 PolarHBondContact N-O 2.81Å; T457-H502 WeakPolarHBondContact CA-O 3.36Å; T457-N504 PolarHBondContact OG1-N 3.24Å; T457-N504 PolarHBondContact OG1-O 3.23Å; T457-Y514 WeakPolarHBondContact CB-OH 3.49Å; T457-Y514 HydrophobicContact CG2-CE2 4.48Å; T457-Y514 PolarHBondContact OG1-OH 3.33Å |
| 458 | D | 97.9 | Very high | 96.2 | Very high | 12 Ų | 12 | 44 Ų | 44 | 6% | 0.064 | 20% | 0.198 | C | C | . | . | trans | -157.3 | 126.4 | 172 | -166 | -41.8 | 0 | 0 | 0 | 107.7 | A430 G431 D460 K482 H502 Q503 | A430-D458 WeakPolarHBondContact CA-OD2 3.33Å; A430-D458 HydrophobicContact CB-CB 3.67Å; A430-D458 PolarHBondContact N-OD2 2.97Å; G431-D458 PolarHBondContact N-OD2 3.47Å; D458-D460 VanDerWaalsContact C-N 3.34Å; D458-D460 VanDerWaalsContact OD1-CB 3.28Å; D458-D460 WeakPolarHBondContact OD1-CB 3.39Å; D458-D460 PolarHBondContact OD1-N 2.93Å; D458-K482 HydrophobicContact CB-CB 4.39Å; D458-H502 PolarHBondContact N-O 3.39Å; D458-Q503 WeakPolarHBondContact O-CA 3.31Å | ||
| 459 | M | 93.4 | Very high | 96.1 | Very high | 78 Ų | 78 | 44.6 Ų | 44.6 | 38% | 0.384 | 20% | 0.197 | S | C | . | . | trans | -83.5 | -11.9 | -178.4 | 68.9 | -73.6 | 175.8 | 0 | 0 | 113.2 | R505 | M459-R505 HydrophobicContact CB-CB 4.36Å; M459-R505 HydrophobicContact CG-CB 4.32Å; M459-R505 HydrophobicContact SD-CB 4.44Å; M459-R505 HydrophobicContact SD-CG 4.37Å | ||
| 460 | D | 93.9 | Very high | 96.1 | Very high | 53 Ų | 53 | 44.5 Ų | 44.5 | 28% | 0.283 | 20% | 0.195 | S | C | . | . | P | Polyproline II helix | trans | -83.4 | 156.1 | -173.7 | -68.4 | -14 | 0 | 0 | 0 | 112.7 | D458 K482 | D458-D460 VanDerWaalsContact C-N 3.34Å; D458-D460 VanDerWaalsContact OD1-CB 3.28Å; D458-D460 WeakPolarHBondContact OD1-CB 3.39Å; D458-D460 PolarHBondContact OD1-N 2.93Å; D460-K482 HydrophobicContact CB-CD 3.82Å; D460-K482 HydrophobicContact CB-CG 4.42Å; D460-K482 PolarHBondContact O-N 3.26Å; D460-K482 IonicContact OD2-NZ 3.16Å; D460-K482 PolarHBondContact OD2-NZ 3.5Å |
| 461 | Y | 94.8 | Very high | 96.3 | Very high | 124 Ų | 124 | 36.6 Ų | 36.6 | 49% | 0.486 | 16% | 0.158 | S | C | . | . | B | Isolated β-bridge | trans | -97.2 | 156.8 | 169.5 | -65 | -95.3 | 0 | 0 | 0 | 110.9 | E463 G479 K480 P481 K482 | Y461-E463 PolarHBondContact O-N 3.37Å; Y461-G479 VanDerWaalsContact CD1-O 3.26Å; Y461-G479 WeakPolarHBondContact CD1-O 3.47Å; Y461-K480 CarbonylContact C-O 3.53Å; Y461-K480 WeakPolarHBondContact CA-O 3.29Å; Y461-P481 HydrophobicContact CD1-CG 4.27Å; Y461-P481 HydrophobicContact CE1-CG 3.87Å; Y461-K482 VanDerWaalsContact O-CE 3.28Å; Y461-K482 WeakPolarHBondContact O-CE 3.46Å |
| 462 | I | 96.4 | Very high | 96.4 | Very high | 3 Ų | 3 | 29.8 Ų | 29.8 | 2% | 0.015 | 13% | 0.129 | C | C | . | . | P | Polyproline II helix | trans | -74 | 125.2 | 179.3 | -63.5 | 162.8 | 0 | 0 | 0 | 109.7 | L467 F473 D477 I478 G479 K480 K482 V485 | I462-L467 HydrophobicContact CG2-CD2 4.13Å; I462-F473 HydrophobicContact CD1-CB 4.16Å; I462-F473 HydrophobicContact CD1-CD1 3.5Å; I462-F473 VanDerWaalsContact CD1-CD1 3.5Å; I462-F473 HydrophobicContact CD1-CD2 4.08Å; I462-F473 HydrophobicContact CD1-CE1 3.85Å; I462-F473 HydrophobicContact CD1-CE2 4.38Å; I462-F473 HydrophobicContact CD1-CG 3.63Å; I462-F473 HydrophobicContact CD1-CZ 4.3Å; I462-F473 HydrophobicContact CG1-CD1 4.12Å; I462-F473 HydrophobicContact CG1-CD2 3.81Å; I462-F473 HydrophobicContact CG1-CE1 4.28Å; I462-F473 HydrophobicContact CG1-CE2 3.97Å; I462-F473 HydrophobicContact CG1-CG 3.9Å; I462-F473 HydrophobicContact CG1-CZ 4.23Å; I462-F473 HydrophobicContact CG2-CB 4.05Å; I462-F473 HydrophobicContact CG2-CD2 4.11Å; I462-F473 HydrophobicContact CG2-CG 4.19Å; I462-D477 WeakPolarHBondContact CB-O 3.39Å; I462-D477 HydrophobicContact CD1-CB 3.78Å; I462-D477 WeakPolarHBondContact CD1-O 3.32Å; I462-I478 CarbonylContact O-C 3.53Å; I462-I478 WeakPolarHBondContact O-CA 3.27Å; I462-G479 PolarHBondContact O-N 2.75Å; I462-K480 WeakPolarHBondContact CG1-O 3.49Å; I462-K480 PolarHBondContact N-O 3.36Å; I462-K482 HydrophobicContact CG1-CB 4.44Å; I462-K482 HydrophobicContact CG1-CG 3.76Å; I462-V485 HydrophobicContact CD1-CB 3.74Å; I462-V485 HydrophobicContact CD1-CG1 3.96Å; I462-V485 HydrophobicContact CD1-CG2 3.71Å |
| 463 | E | 91.1 | Very high | 96.4 | Very high | 49 Ų | 49 | 29.9 Ų | 29.9 | 23% | 0.229 | 13% | 0.129 | C | C | . | . | trans | -105 | 162.4 | 173 | -60.4 | 167.3 | -178.1 | 0 | 0 | 111.6 | Y461 S465 N466 K812 | Y461-E463 PolarHBondContact O-N 3.37Å; E463-S465 VanDerWaalsContact C-N 3.29Å; E463-S465 PolarHBondContact O-N 3.3Å; E463-S465 PolarHBondContact OE2-OG 3.04Å; E463-N466 PolarHBondContact N-OD1 2.98Å; E463-N466 VanDerWaalsContact O-CB 3.24Å; E463-N466 WeakPolarHBondContact O-CB 3.27Å; E463-N466 PolarHBondContact O-N 3.14Å; E463-N466 VanDerWaalsContact O-N 3.11Å; E463-N466 PolarHBondContact OE2-ND2 3.02Å; E463-K812 IonicContact OE1-NZ 3.74Å | ||
| 464 | R | 92.6 | Very high | 96.4 | Very high | 133 Ų | 133 | 27.4 Ų | 27.4 | 50% | 0.502 | 12% | 0.119 | S | C | . | . | G | 310 helix | trans | -57.5 | -41.8 | 175 | -173.8 | -180 | -178 | 134.2 | -0.8 | 112.7 | D8 N466 L467 I478 | D8-R464 IonicContact OD1-CZ 2.98Å; D8-R464 IonicContact OD1-NE 2.78Å; D8-R464 IonicContact OD1-NH2 2.64Å; D8-R464 PolarHBondContact OD1-NH2 3.49Å; D8-R464 IonicContact OD2-CZ 3.97Å; D8-R464 IonicContact OD2-NE 3.54Å; D8-R464 IonicContact OD2-NH2 3.49Å; D8-R464 PolarHBondContact OD2-NH2 3.25Å; R464-N466 PolarHBondContact O-N 3.24Å; R464-N466 VanDerWaalsContact O-N 3.11Å; R464-L467 PolarHBondContact O-N 3.41Å; R464-I478 HydrophobicContact CB-CD1 4.05Å; R464-I478 HydrophobicContact CG-CD1 4.45Å |
| 465 | S | 92.2 | Very high | 96.2 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -63.9 | -16.4 | -179.2 | 80.6 | 0 | 0 | 0 | 0 | 113.4 | G10 E463 R469 | G10-S465 VanDerWaalsContact O-CA 3.3Å; G10-S465 WeakPolarHBondContact O-CA 3.2Å; G10-S465 PolarHBondContact O-N 2.9Å; E463-S465 VanDerWaalsContact C-N 3.29Å; E463-S465 PolarHBondContact O-N 3.3Å; E463-S465 PolarHBondContact OE2-OG 3.04Å; S465-R469 PolarHBondContact O-NH1 2.92Å |
| 466 | N | 95.9 | Very high | 96.1 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -78.8 | -33.6 | -177.9 | -64.6 | 175.9 | 0 | 0 | 0 | 111.6 | E463 R464 N468 R469 Q470 K482 | E463-N466 PolarHBondContact N-OD1 2.98Å; E463-N466 VanDerWaalsContact O-CB 3.24Å; E463-N466 WeakPolarHBondContact O-CB 3.27Å; E463-N466 PolarHBondContact O-N 3.14Å; E463-N466 VanDerWaalsContact O-N 3.11Å; E463-N466 PolarHBondContact OE2-ND2 3.02Å; R464-N466 PolarHBondContact O-N 3.24Å; R464-N466 VanDerWaalsContact O-N 3.11Å; N466-N468 PolarHBondContact O-N 2.85Å; N466-N468 VanDerWaalsContact O-N 3.11Å; N466-R469 PolarHBondContact O-N 2.86Å; N466-Q470 HydrophobicContact CB-CB 4.45Å; N466-Q470 HydrophobicContact CB-CG 4.43Å; N466-Q470 VanDerWaalsContact CB-OE1 3.3Å; N466-Q470 WeakPolarHBondContact O-CB 3.47Å; N466-Q470 PolarHBondContact O-N 3.25Å; N466-K482 WeakPolarHBondContact OD1-CE 3.17Å |
| 467 | L | 97.2 | Very high | 96 | Very high | 7 Ų | 7 | 39 Ų | 39 | 4% | 0.037 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -29.2 | -171.4 | -57.4 | -177.6 | 0 | 0 | 0 | 113.6 | F11 L50 I462 R464 R469 F473 I478 | F11-L467 HydrophobicContact CD2-CB 4.09Å; F11-L467 HydrophobicContact CE2-CB 3.55Å; F11-L467 HydrophobicContact CE2-CD1 4.42Å; F11-L467 HydrophobicContact CZ-CB 4.36Å; L50-L467 WeakPolarHBondContact CD2-O 3.47Å; I462-L467 HydrophobicContact CG2-CD2 4.13Å; R464-L467 PolarHBondContact O-N 3.41Å; L467-R469 PolarHBondContact O-N 3.03Å; L467-F473 HydrophobicContact CD2-CB 3.59Å; L467-I478 HydrophobicContact CD1-CD1 4.26Å; L467-I478 HydrophobicContact CD1-CG1 4.45Å |
| 468 | N | 96.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -17.9 | 177.8 | 164 | -102.8 | 0 | 0 | 0 | 114.2 | F11 Q15 L50 N466 | F11-N468 HydrophobicContact CD1-CB 4.06Å; F11-N468 HydrophobicContact CE1-CB 3.83Å; F11-N468 HydrophobicContact CZ-CB 4.25Å; F11-N468 VanDerWaalsContact O-CB 3.23Å; F11-N468 WeakPolarHBondContact O-CB 3.46Å; Q15-N468 WeakPolarHBondContact CB-OD1 3.42Å; Q15-N468 PolarHBondContact OE1-ND2 2.96Å; L50-N468 WeakPolarHBondContact CB-O 3.31Å; L50-N468 PolarHBondContact O-ND2 2.85Å; N466-N468 PolarHBondContact O-N 2.85Å; N466-N468 VanDerWaalsContact O-N 3.11Å |
| 469 | R | 96.9 | Very high | 95.6 | Very high | 22 Ų | 22 | 44.4 Ų | 44.4 | 8% | 0.083 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -139 | -10.4 | 179.4 | 68.6 | -170.1 | 173.7 | -66.9 | -7.8 | 115.1 | A432 S465 N466 L467 A856 | A432-R469 HydrophobicContact CB-CB 4.48Å; A432-R469 HydrophobicContact CB-CG 3.84Å; S465-R469 PolarHBondContact O-NH1 2.92Å; N466-R469 PolarHBondContact O-N 2.86Å; L467-R469 PolarHBondContact O-N 3.03Å; R469-A856 HydrophobicContact CB-CB 4.27Å |
| 470 | Q | 98 | Very high | 95.8 | Very high | 7 Ų | 7 | 44.9 Ų | 44.9 | 3% | 0.033 | 22% | 0.219 | C | C | . | . | trans | -105.1 | 70.5 | 177.5 | -65.6 | 171.9 | 20.3 | 0 | 0 | 108.4 | A432 N466 L472 F473 | A432-Q470 HydrophobicContact CB-CG 4.27Å; N466-Q470 HydrophobicContact CB-CB 4.45Å; N466-Q470 HydrophobicContact CB-CG 4.43Å; N466-Q470 VanDerWaalsContact CB-OE1 3.3Å; N466-Q470 WeakPolarHBondContact O-CB 3.47Å; N466-Q470 PolarHBondContact O-N 3.25Å; Q470-L472 PolarHBondContact O-N 3.21Å; Q470-F473 HydrophobicContact CB-CD2 3.46Å; Q470-F473 VanDerWaalsContact CB-CD2 3.46Å; Q470-F473 HydrophobicContact CB-CE2 3.68Å; Q470-F473 HydrophobicContact CB-CG 4.46Å; Q470-F473 HydrophobicContact CG-CD2 4.44Å; Q470-F473 HydrophobicContact CG-CE2 4.28Å; Q470-F473 PolarHBondContact O-N 3.12Å | ||
| 471 | F | 98.3 | Very high | 96 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.009 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -7.3 | -165.3 | 85.1 | -82.2 | 0 | 0 | 0 | 114.8 | K46 L50 F73 F74 L95 E436 K439 R474 M493 | K46-F471 HydrophobicContact CD-CB 4.3Å; K46-F471 HydrophobicContact CD-CD1 3.93Å; K46-F471 HydrophobicContact CD-CD2 3.83Å; K46-F471 HydrophobicContact CD-CE1 4.22Å; K46-F471 HydrophobicContact CD-CE2 4.11Å; K46-F471 HydrophobicContact CD-CG 3.74Å; K46-F471 HydrophobicContact CD-CZ 4.31Å; K46-F471 HydrophobicContact CG-CB 4.38Å; K46-F471 HydrophobicContact CG-CD2 4.25Å; K46-F471 HydrophobicContact CG-CG 4.25Å; L50-F471 HydrophobicContact CD1-CB 3.79Å; F73-F471 AromaticContact CD2-CE2 4Å; F73-F471 HydrophobicContact CD2-CE2 4Å; F73-F471 HydrophobicContact CD2-CZ 4.5Å; F73-F471 AromaticContact CE2-CE2 3.96Å; F73-F471 HydrophobicContact CE2-CE2 3.96Å; F74-F471 HydrophobicContact CE1-CE2 4.49Å; F74-F471 HydrophobicContact CZ-CD2 4.5Å; L95-F471 HydrophobicContact CD2-CB 3.99Å; L95-F471 HydrophobicContact CD2-CD2 4.27Å; E436-F471 WeakPolarHBondContact OE1-CD1 3.16Å; E436-F471 WeakPolarHBondContact OE1-CE1 3.47Å; K439-F471 HydrophobicContact CB-CE1 4.21Å; K439-F471 HydrophobicContact CB-CZ 3.77Å; K439-F471 HydrophobicContact CD-CZ 4.35Å; K439-F471 HydrophobicContact CG-CZ 3.82Å; F471-R474 PolarHBondContact O-NH1 2.95Å; F471-M493 HydrophobicContact CE2-CE 3.76Å; F471-M493 HydrophobicContact CZ-CE 4.1Å |
| 472 | L | 98.6 | Very high | 96.2 | Very high | 6 Ų | 6 | 37.9 Ų | 37.9 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -17 | 171.6 | -63.3 | -176.9 | 0 | 0 | 0 | 112.4 | C435 L438 Q470 A486 A489 V490 M493 | C435-L472 HydrophobicContact CB-CB 4.49Å; C435-L472 HydrophobicContact CB-CD1 3.85Å; C435-L472 HydrophobicContact CB-CG 3.89Å; L438-L472 HydrophobicContact CB-CD1 4.24Å; L438-L472 HydrophobicContact CD1-CD1 4.33Å; Q470-L472 PolarHBondContact O-N 3.21Å; L472-A486 HydrophobicContact CD1-CB 3.94Å; L472-A489 HydrophobicContact CB-CB 4.07Å; L472-A489 HydrophobicContact CD2-CB 4.21Å; L472-V490 HydrophobicContact CD1-CG2 3.55Å; L472-V490 HydrophobicContact CD2-CG2 4.07Å; L472-V490 HydrophobicContact CG-CG2 4.48Å; L472-M493 HydrophobicContact CD2-CE 3.34Å; L472-M493 HydrophobicContact CD2-SD 4.21Å |
| 473 | F | 98.4 | Very high | 96.3 | Very high | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.018 | 19% | 0.19 | C | C | . | . | trans | -98.5 | 154.1 | -176.2 | -52.6 | -33.9 | 0 | 0 | 0 | 111.9 | I462 L467 Q470 K482 V485 A486 | I462-F473 HydrophobicContact CD1-CB 4.16Å; I462-F473 HydrophobicContact CD1-CD1 3.5Å; I462-F473 VanDerWaalsContact CD1-CD1 3.5Å; I462-F473 HydrophobicContact CD1-CD2 4.08Å; I462-F473 HydrophobicContact CD1-CE1 3.85Å; I462-F473 HydrophobicContact CD1-CE2 4.38Å; I462-F473 HydrophobicContact CD1-CG 3.63Å; I462-F473 HydrophobicContact CD1-CZ 4.3Å; I462-F473 HydrophobicContact CG1-CD1 4.12Å; I462-F473 HydrophobicContact CG1-CD2 3.81Å; I462-F473 HydrophobicContact CG1-CE1 4.28Å; I462-F473 HydrophobicContact CG1-CE2 3.97Å; I462-F473 HydrophobicContact CG1-CG 3.9Å; I462-F473 HydrophobicContact CG1-CZ 4.23Å; I462-F473 HydrophobicContact CG2-CB 4.05Å; I462-F473 HydrophobicContact CG2-CD2 4.11Å; I462-F473 HydrophobicContact CG2-CG 4.19Å; L467-F473 HydrophobicContact CD2-CB 3.59Å; Q470-F473 HydrophobicContact CB-CD2 3.46Å; Q470-F473 VanDerWaalsContact CB-CD2 3.46Å; Q470-F473 HydrophobicContact CB-CE2 3.68Å; Q470-F473 HydrophobicContact CB-CG 4.46Å; Q470-F473 HydrophobicContact CG-CD2 4.44Å; Q470-F473 HydrophobicContact CG-CE2 4.28Å; Q470-F473 PolarHBondContact O-N 3.12Å; F473-K482 WeakPolarHBondContact CE1-O 3.34Å; F473-K482 HydrophobicContact CE2-CB 4.24Å; F473-K482 HydrophobicContact CE2-CD 4.41Å; F473-K482 HydrophobicContact CE2-CG 3.97Å; F473-K482 HydrophobicContact CZ-CB 3.83Å; F473-K482 HydrophobicContact CZ-CG 4.07Å; F473-V485 HydrophobicContact CD1-CB 4.06Å; F473-V485 HydrophobicContact CD1-CG1 3.66Å; F473-V485 HydrophobicContact CE1-CB 4.02Å; F473-V485 HydrophobicContact CE1-CG1 4.09Å; F473-A486 HydrophobicContact CE1-CB 3.81Å; F473-A486 HydrophobicContact CZ-CB 4.1Å | ||
| 474 | R | 97.1 | Very high | 96.6 | Very high | 54 Ų | 54 | 38.6 Ų | 38.6 | 20% | 0.204 | 19% | 0.194 | C | C | . | . | trans | -126 | 166.9 | 173.9 | -62 | -66.6 | 178.3 | -80.3 | 1.4 | 110.3 | A94 F471 K476 D477 | A94-R474 VanDerWaalsContact O-CD 3.27Å; A94-R474 WeakPolarHBondContact O-CD 3.32Å; A94-R474 PolarHBondContact O-NE 3.09Å; F471-R474 PolarHBondContact O-NH1 2.95Å; R474-K476 HydrophobicContact CB-CG 4.03Å; R474-K476 PolarHBondContact O-N 3.14Å; R474-K476 VanDerWaalsContact O-N 3.11Å; R474-D477 WeakPolarHBondContact CB-OD2 3.34Å; R474-D477 PolarHBondContact N-OD2 2.96Å; R474-D477 VanDerWaalsContact N-OD2 3.1Å; R474-D477 WeakPolarHBondContact O-CB 3.34Å; R474-D477 PolarHBondContact O-N 3.1Å | ||
| 475 | S | 94.7 | Very high | 96.9 | Very high | 77 Ų | 77 | 33 Ų | 33 | 54% | 0.538 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -56.7 | -29.5 | 177.7 | -50.6 | 0 | 0 | 0 | 0 | 113.5 | D477 I478 | S475-D477 PolarHBondContact O-N 3.21Å; S475-I478 WeakPolarHBondContact O-CG1 3.49Å |
| 476 | K | 96.4 | Very high | 97.2 | Very high | 164 Ų | 164 | 32.8 Ų | 32.8 | 71% | 0.713 | 17% | 0.173 | S | C | * | . | G | 310 helix | trans | -70.4 | -8.7 | 175 | 69.1 | 178.5 | -177.1 | -178.6 | 0 | 114.4 | R474 K480 | R474-K476 HydrophobicContact CB-CG 4.03Å; R474-K476 PolarHBondContact O-N 3.14Å; R474-K476 VanDerWaalsContact O-N 3.11Å; K476-K480 WeakPolarHBondContact O-CE 3.45Å; K476-K480 PolarHBondContact O-NZ 2.9Å |
| 477 | D | 97.4 | Very high | 97.4 | Very high | 14 Ų | 14 | 33.2 Ų | 33.2 | 8% | 0.075 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -105 | -2.9 | -176 | -56 | -48.6 | 0 | 0 | 0 | 113 | I462 R474 S475 G479 K480 V485 | I462-D477 WeakPolarHBondContact CB-O 3.39Å; I462-D477 HydrophobicContact CD1-CB 3.78Å; I462-D477 WeakPolarHBondContact CD1-O 3.32Å; R474-D477 WeakPolarHBondContact CB-OD2 3.34Å; R474-D477 PolarHBondContact N-OD2 2.96Å; R474-D477 VanDerWaalsContact N-OD2 3.1Å; R474-D477 WeakPolarHBondContact O-CB 3.34Å; R474-D477 PolarHBondContact O-N 3.1Å; S475-D477 PolarHBondContact O-N 3.21Å; D477-G479 PolarHBondContact O-N 3.13Å; D477-K480 HydrophobicContact CB-CD 4.31Å; D477-K480 VanDerWaalsContact O-CB 3.29Å; D477-K480 WeakPolarHBondContact O-CB 3.3Å; D477-K480 WeakPolarHBondContact O-CG 3.44Å; D477-K480 PolarHBondContact O-N 2.62Å; D477-K480 IonicContact OD1-NZ 3.74Å; D477-K480 PolarHBondContact OD1-NZ 2.86Å; D477-V485 HydrophobicContact CB-CG1 4Å; D477-V485 HydrophobicContact CB-CG2 4.38Å |
| 478 | I | 95 | Very high | 97.4 | Very high | 78 Ų | 78 | 39.1 Ų | 39.1 | 40% | 0.4 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 132.4 | 173.7 | -64.6 | 171.2 | 0 | 0 | 0 | 109.6 | I462 R464 L467 S475 K480 | I462-I478 CarbonylContact O-C 3.53Å; I462-I478 WeakPolarHBondContact O-CA 3.27Å; R464-I478 HydrophobicContact CB-CD1 4.05Å; R464-I478 HydrophobicContact CG-CD1 4.45Å; L467-I478 HydrophobicContact CD1-CD1 4.26Å; L467-I478 HydrophobicContact CD1-CG1 4.45Å; S475-I478 WeakPolarHBondContact O-CG1 3.49Å; I478-K480 VanDerWaalsContact C-N 3.34Å |
| 479 | G | 92.9 | Very high | 97.5 | Very high | 51 Ų | 51 | 40 Ų | 40 | 53% | 0.526 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | 4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | Y461 I462 D477 | Y461-G479 VanDerWaalsContact CD1-O 3.26Å; Y461-G479 WeakPolarHBondContact CD1-O 3.47Å; I462-G479 PolarHBondContact O-N 2.75Å; D477-G479 PolarHBondContact O-N 3.13Å |
| 480 | K | 97.7 | Very high | 97.5 | Very high | 88 Ų | 88 | 38.9 Ų | 38.9 | 38% | 0.383 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -97.1 | 156 | 171.8 | -59.3 | -179.4 | -165.5 | 159.2 | 0 | 111.6 | Y461 I462 K476 D477 I478 K482 V485 | Y461-K480 CarbonylContact C-O 3.53Å; Y461-K480 WeakPolarHBondContact CA-O 3.29Å; I462-K480 WeakPolarHBondContact CG1-O 3.49Å; I462-K480 PolarHBondContact N-O 3.36Å; K476-K480 WeakPolarHBondContact O-CE 3.45Å; K476-K480 PolarHBondContact O-NZ 2.9Å; D477-K480 HydrophobicContact CB-CD 4.31Å; D477-K480 VanDerWaalsContact O-CB 3.29Å; D477-K480 WeakPolarHBondContact O-CB 3.3Å; D477-K480 WeakPolarHBondContact O-CG 3.44Å; D477-K480 PolarHBondContact O-N 2.62Å; D477-K480 IonicContact OD1-NZ 3.74Å; D477-K480 PolarHBondContact OD1-NZ 2.86Å; I478-K480 VanDerWaalsContact C-N 3.34Å; K480-K482 PolarHBondContact O-N 3.42Å; K480-V485 HydrophobicContact CB-CG2 3.72Å; K480-V485 HydrophobicContact CD-CG2 4.05Å |
| 481 | P | 98.2 | Very high | 97.5 | Very high | 17 Ų | 17 | 40.4 Ų | 40.4 | 11% | 0.11 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -61.6 | 131.8 | 176.8 | -21.6 | 32.3 | 0 | 0 | 0 | 112.3 | Y461 S483 E484 V485 Q503 | Y461-P481 HydrophobicContact CD1-CG 4.27Å; Y461-P481 HydrophobicContact CE1-CG 3.87Å; P481-S483 PolarHBondContact O-N 3.09Å; P481-E484 HydrophobicContact CB-CB 4.39Å; P481-E484 HydrophobicContact CB-CG 4.21Å; P481-V485 WeakPolarHBondContact O-CG2 2.98Å; P481-V485 PolarHBondContact O-N 3.42Å; P481-Q503 HydrophobicContact CB-CG 4.04Å; P481-Q503 HydrophobicContact CG-CG 4.5Å |
| 482 | K | 98.6 | Very high | 97.4 | Very high | 12 Ų | 12 | 46.8 Ų | 46.8 | 5% | 0.052 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.3 | -48.5 | -177.6 | -71.9 | -179 | -170.6 | 157.8 | 0 | 112.3 | A430 D458 D460 Y461 I462 N466 F473 K480 E484 V485 A486 | A430-K482 HydrophobicContact CB-CB 3.96Å; D458-K482 HydrophobicContact CB-CB 4.39Å; D460-K482 HydrophobicContact CB-CD 3.82Å; D460-K482 HydrophobicContact CB-CG 4.42Å; D460-K482 PolarHBondContact O-N 3.26Å; D460-K482 IonicContact OD2-NZ 3.16Å; D460-K482 PolarHBondContact OD2-NZ 3.5Å; Y461-K482 VanDerWaalsContact O-CE 3.28Å; Y461-K482 WeakPolarHBondContact O-CE 3.46Å; I462-K482 HydrophobicContact CG1-CB 4.44Å; I462-K482 HydrophobicContact CG1-CG 3.76Å; N466-K482 WeakPolarHBondContact OD1-CE 3.17Å; F473-K482 WeakPolarHBondContact CE1-O 3.34Å; F473-K482 HydrophobicContact CE2-CB 4.24Å; F473-K482 HydrophobicContact CE2-CD 4.41Å; F473-K482 HydrophobicContact CE2-CG 3.97Å; F473-K482 HydrophobicContact CZ-CB 3.83Å; F473-K482 HydrophobicContact CZ-CG 4.07Å; K480-K482 PolarHBondContact O-N 3.42Å; K482-E484 VanDerWaalsContact C-N 3.34Å; K482-E484 PolarHBondContact O-N 2.94Å; K482-V485 PolarHBondContact O-N 3.31Å; K482-A486 VanDerWaalsContact O-CB 3.24Å; K482-A486 WeakPolarHBondContact O-CB 3.38Å; K482-A486 PolarHBondContact O-N 2.86Å |
| 483 | S | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.6 | -42 | -175.6 | 57.3 | 0 | 0 | 0 | 0 | 112.8 | P481 A487 H502 | P481-S483 PolarHBondContact O-N 3.09Å; S483-A487 WeakPolarHBondContact O-CB 3.25Å; S483-A487 PolarHBondContact O-N 3.04Å; S483-H502 VanDerWaalsContact CB-O 3.27Å; S483-H502 WeakPolarHBondContact CB-O 3.05Å; S483-H502 PolarHBondContact OG-O 3.08Å |
| 484 | E | 98.6 | Very high | 97.3 | Very high | 68 Ų | 68 | 47 Ų | 47 | 32% | 0.318 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -69.5 | -44.7 | -179.6 | -67.7 | -172.7 | -174.4 | 0 | 0 | 112.9 | P481 K482 K488 A501 Q503 | P481-E484 HydrophobicContact CB-CB 4.39Å; P481-E484 HydrophobicContact CB-CG 4.21Å; K482-E484 VanDerWaalsContact C-N 3.34Å; K482-E484 PolarHBondContact O-N 2.94Å; E484-K488 WeakPolarHBondContact O-CG 3.49Å; E484-K488 PolarHBondContact O-N 3.38Å; E484-K488 VanDerWaalsContact O-N 3.14Å; E484-A501 HydrophobicContact CB-CB 4.49Å; E484-A501 HydrophobicContact CG-CB 4.06Å; E484-Q503 PolarHBondContact OE1-NE2 2.97Å |
| 485 | V | 98.7 | Very high | 97.3 | Very high | 14 Ų | 14 | 49.1 Ų | 49.1 | 9% | 0.085 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.7 | -40.4 | 179.7 | 179.7 | 0 | 0 | 0 | 0 | 110 | I462 F473 D477 K480 P481 K482 A487 K488 A489 | I462-V485 HydrophobicContact CD1-CB 3.74Å; I462-V485 HydrophobicContact CD1-CG1 3.96Å; I462-V485 HydrophobicContact CD1-CG2 3.71Å; F473-V485 HydrophobicContact CD1-CB 4.06Å; F473-V485 HydrophobicContact CD1-CG1 3.66Å; F473-V485 HydrophobicContact CE1-CB 4.02Å; F473-V485 HydrophobicContact CE1-CG1 4.09Å; D477-V485 HydrophobicContact CB-CG1 4Å; D477-V485 HydrophobicContact CB-CG2 4.38Å; K480-V485 HydrophobicContact CB-CG2 3.72Å; K480-V485 HydrophobicContact CD-CG2 4.05Å; P481-V485 WeakPolarHBondContact O-CG2 2.98Å; P481-V485 PolarHBondContact O-N 3.42Å; K482-V485 PolarHBondContact O-N 3.31Å; V485-A487 PolarHBondContact O-N 2.96Å; V485-K488 PolarHBondContact O-N 2.86Å; V485-A489 WeakPolarHBondContact O-CB 3.38Å; V485-A489 PolarHBondContact O-N 3.16Å |
| 486 | A | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.3 | -45 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111 | A430 L438 L472 F473 K482 K488 A489 V490 | A430-A486 HydrophobicContact CB-CB 4.45Å; L438-A486 HydrophobicContact CD1-CB 3.58Å; L472-A486 HydrophobicContact CD1-CB 3.94Å; F473-A486 HydrophobicContact CE1-CB 3.81Å; F473-A486 HydrophobicContact CZ-CB 4.1Å; K482-A486 VanDerWaalsContact O-CB 3.24Å; K482-A486 WeakPolarHBondContact O-CB 3.38Å; K482-A486 PolarHBondContact O-N 2.86Å; A486-K488 VanDerWaalsContact C-N 3.33Å; A486-K488 PolarHBondContact O-N 3.38Å; A486-A489 PolarHBondContact O-N 3.15Å; A486-V490 WeakPolarHBondContact O-CB 3.31Å; A486-V490 WeakPolarHBondContact O-CG2 3.29Å; A486-V490 PolarHBondContact O-N 3.41Å |
| 487 | A | 98.6 | Very high | 97.5 | Very high | 12 Ų | 12 | 43 Ų | 43 | 10% | 0.099 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.2 | -42.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S483 V485 A491 I499 A501 | S483-A487 WeakPolarHBondContact O-CB 3.25Å; S483-A487 PolarHBondContact O-N 3.04Å; V485-A487 PolarHBondContact O-N 2.96Å; A487-A491 PolarHBondContact O-N 3.12Å; A487-A491 VanDerWaalsContact O-N 3.1Å; A487-I499 HydrophobicContact CB-CB 4.02Å; A487-I499 HydrophobicContact CB-CD1 4.35Å; A487-I499 HydrophobicContact CB-CG2 3.62Å; A487-A501 HydrophobicContact CB-CB 4.14Å |
| 488 | K | 98.4 | Very high | 97.5 | Very high | 132 Ų | 132 | 45.3 Ų | 45.3 | 57% | 0.574 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -66.1 | -49.2 | 177.3 | -72.5 | 169.7 | -175.2 | 166.4 | 0 | 112 | E484 V485 A486 V490 A491 E492 | E484-K488 WeakPolarHBondContact O-CG 3.49Å; E484-K488 PolarHBondContact O-N 3.38Å; E484-K488 VanDerWaalsContact O-N 3.14Å; V485-K488 PolarHBondContact O-N 2.86Å; A486-K488 VanDerWaalsContact C-N 3.33Å; A486-K488 PolarHBondContact O-N 3.38Å; K488-V490 PolarHBondContact O-N 3.09Å; K488-A491 PolarHBondContact O-N 3.31Å; K488-E492 PolarHBondContact O-N 2.83Å |
| 489 | A | 98.3 | Very high | 97.7 | Very high | 17 Ų | 17 | 43.1 Ų | 43.1 | 14% | 0.14 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.7 | -38.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L472 V485 A486 E492 M493 | L472-A489 HydrophobicContact CB-CB 4.07Å; L472-A489 HydrophobicContact CD2-CB 4.21Å; V485-A489 WeakPolarHBondContact O-CB 3.38Å; V485-A489 PolarHBondContact O-N 3.16Å; A486-A489 PolarHBondContact O-N 3.15Å; A489-E492 WeakPolarHBondContact O-CB 3.45Å; A489-E492 PolarHBondContact O-N 3.24Å; A489-M493 PolarHBondContact O-N 2.92Å |
| 490 | V | 97.7 | Very high | 98 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -74.8 | -32.6 | -179.5 | 173.9 | 0 | 0 | 0 | 0 | 112.2 | L438 A442 L472 A486 K488 E492 M493 N494 I497 I499 | L438-V490 HydrophobicContact CB-CG2 3.69Å; L438-V490 HydrophobicContact CD1-CG2 4.46Å; L438-V490 HydrophobicContact CG-CG2 4.45Å; A442-V490 HydrophobicContact CB-CG1 3.5Å; L472-V490 HydrophobicContact CD1-CG2 3.55Å; L472-V490 HydrophobicContact CD2-CG2 4.07Å; L472-V490 HydrophobicContact CG-CG2 4.48Å; A486-V490 WeakPolarHBondContact O-CB 3.31Å; A486-V490 WeakPolarHBondContact O-CG2 3.29Å; A486-V490 PolarHBondContact O-N 3.41Å; K488-V490 PolarHBondContact O-N 3.09Å; V490-E492 PolarHBondContact O-N 2.78Å; V490-M493 WeakPolarHBondContact O-CB 3.3Å; V490-M493 PolarHBondContact O-N 2.85Å; V490-M493 VanDerWaalsContact O-N 3.14Å; V490-N494 PolarHBondContact O-N 2.95Å; V490-I497 HydrophobicContact CG1-CD1 3.83Å; V490-I497 HydrophobicContact CG1-CG2 4.27Å; V490-I499 HydrophobicContact CB-CD1 4.03Å; V490-I499 HydrophobicContact CG1-CD1 3.81Å |
| 491 | A | 97.3 | Very high | 98 | Very high | 39 Ų | 39 | 40.4 Ų | 40.4 | 32% | 0.322 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.4 | -25.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A487 K488 N494 P495 I497 | A487-A491 PolarHBondContact O-N 3.12Å; A487-A491 VanDerWaalsContact O-N 3.1Å; K488-A491 PolarHBondContact O-N 3.31Å; A491-N494 CarbonylContact O-C 3.18Å; A491-P495 VanDerWaalsContact O-CA 3.32Å; A491-P495 WeakPolarHBondContact O-CA 3.17Å; A491-I497 HydrophobicContact CB-CG2 4.32Å |
| 492 | E | 96.2 | Very high | 98 | Very high | 136 Ų | 136 | 41.9 Ų | 41.9 | 64% | 0.636 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -71.2 | -35.7 | 171.1 | -64.2 | 174.9 | -175.7 | 0 | 0 | 111.8 | H76 K488 A489 V490 | H76-E492 PolarHBondContact CE1-O 2.99Å; H76-E492 VanDerWaalsContact CE1-O 3.26Å; H76-E492 PolarHBondContact ND1-O 2.79Å; H76-E492 VanDerWaalsContact ND1-O 3.1Å; K488-E492 PolarHBondContact O-N 2.83Å; A489-E492 WeakPolarHBondContact O-CB 3.45Å; A489-E492 PolarHBondContact O-N 3.24Å; V490-E492 PolarHBondContact O-N 2.78Å |
| 493 | M | 96.9 | Very high | 98 | Very high | 15 Ų | 15 | 44.6 Ų | 44.6 | 7% | 0.074 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.8 | -41.1 | 174.8 | -58 | 176.5 | 175.1 | 0 | 0 | 111.7 | F73 R404 K439 F471 L472 A489 V490 | F73-M493 HydrophobicContact CB-CE 4.46Å; F73-M493 HydrophobicContact CB-SD 4.02Å; F73-M493 HydrophobicContact CD2-CE 4.46Å; F73-M493 WeakPolarHBondContact O-CG 3.16Å; R404-M493 PolarHBondContact NH1-O 2.97Å; R404-M493 PolarHBondContact NH2-O 3.07Å; K439-M493 HydrophobicContact CB-SD 4.38Å; K439-M493 HydrophobicContact CG-SD 4.25Å; F471-M493 HydrophobicContact CE2-CE 3.76Å; F471-M493 HydrophobicContact CZ-CE 4.1Å; L472-M493 HydrophobicContact CD2-CE 3.34Å; L472-M493 HydrophobicContact CD2-SD 4.21Å; A489-M493 PolarHBondContact O-N 2.92Å; V490-M493 WeakPolarHBondContact O-CB 3.3Å; V490-M493 PolarHBondContact O-N 2.85Å; V490-M493 VanDerWaalsContact O-N 3.14Å |
| 494 | N | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -136.7 | 100 | 175.4 | -170 | -11 | 0 | 0 | 0 | 113 | R404 Y405 A442 V490 A491 Q496 I497 | R404-N494 VanDerWaalsContact NH1-CG 3.27Å; R404-N494 PolarHBondContact NH1-OD1 2.83Å; Y405-N494 PolarHBondContact OH-ND2 2.93Å; A442-N494 HydrophobicContact CB-CB 4.03Å; A442-N494 PolarHBondContact O-ND2 2.68Å; V490-N494 PolarHBondContact O-N 2.95Å; A491-N494 CarbonylContact O-C 3.18Å; N494-Q496 PolarHBondContact O-N 3.04Å; N494-Q496 WeakPolarHBondContact OD1-CB 3.47Å; N494-Q496 PolarHBondContact OD1-N 3.27Å; N494-I497 HydrophobicContact CB-CB 4.43Å; N494-I497 WeakPolarHBondContact O-CB 3.36Å; N494-I497 WeakPolarHBondContact O-CG2 3.32Å; N494-I497 PolarHBondContact O-N 3.06Å; N494-I497 VanDerWaalsContact O-N 3.07Å | ||
| 495 | P | 97.1 | Very high | 97.6 | Very high | 98 Ų | 98 | 50.9 Ų | 50.9 | 64% | 0.636 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -18.1 | -179.2 | -26.2 | 35.6 | 0 | 0 | 0 | 115.1 | A491 | A491-P495 VanDerWaalsContact O-CA 3.32Å; A491-P495 WeakPolarHBondContact O-CA 3.17Å |
| 496 | Q | 97.3 | Very high | 97.3 | Very high | 99 Ų | 99 | 51 Ų | 51 | 46% | 0.463 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -18.2 | 179.5 | -62.3 | -176.6 | -29.7 | 0 | 0 | 112.8 | A448 N494 | A448-Q496 VanDerWaalsContact CA-O 3.3Å; A448-Q496 WeakPolarHBondContact CA-O 3.44Å; A448-Q496 HydrophobicContact CB-CB 3.86Å; N494-Q496 PolarHBondContact O-N 3.04Å; N494-Q496 WeakPolarHBondContact OD1-CB 3.47Å; N494-Q496 PolarHBondContact OD1-N 3.27Å |
| 497 | I | 97.4 | Very high | 97 | Very high | 13 Ų | 13 | 52.7 Ų | 52.7 | 7% | 0.067 | 27% | 0.27 | C | S | . | . | trans | -66.7 | 138.6 | -175.4 | -158.8 | 167 | 0 | 0 | 0 | 111.6 | A442 I454 V490 A491 N494 I499 | A442-I497 HydrophobicContact CB-CD1 3.85Å; I454-I497 HydrophobicContact CD1-CD1 3.62Å; I454-I497 HydrophobicContact CD1-CG1 3.92Å; V490-I497 HydrophobicContact CG1-CD1 3.83Å; V490-I497 HydrophobicContact CG1-CG2 4.27Å; A491-I497 HydrophobicContact CB-CG2 4.32Å; N494-I497 HydrophobicContact CB-CB 4.43Å; N494-I497 WeakPolarHBondContact O-CB 3.36Å; N494-I497 WeakPolarHBondContact O-CG2 3.32Å; N494-I497 PolarHBondContact O-N 3.06Å; N494-I497 VanDerWaalsContact O-N 3.07Å; I497-I499 HydrophobicContact CD1-CD1 3.99Å; I497-I499 HydrophobicContact CD1-CG1 4.22Å; I497-I499 HydrophobicContact CG1-CD1 4.2Å; I497-I499 HydrophobicContact CG1-CG1 3.97Å; I497-I499 HydrophobicContact CG2-CD1 4.04Å; I497-I499 HydrophobicContact CG2-CG1 4.23Å | ||
| 498 | K | 98.4 | Very high | 96.6 | Very high | 62 Ų | 62 | 55.9 Ų | 55.9 | 27% | 0.27 | 29% | 0.29 | S | S | . | . | trans | -114.1 | 105.7 | 179.8 | -65.6 | 169.4 | -175.3 | 166.3 | 0 | 110.3 | G447 G449 E450 I454 | G447-K498 WeakPolarHBondContact O-CB 3.29Å; G447-K498 PolarHBondContact O-N 2.8Å; G449-K498 PolarHBondContact O-NZ 3.38Å; E450-K498 VanDerWaalsContact CA-NZ 3.35Å; E450-K498 PolarHBondContact O-NZ 3.36Å; I454-K498 PolarHBondContact N-O 3.12Å | ||
| 499 | I | 98.4 | Very high | 96.2 | Very high | 32 Ų | 32 | 57 Ų | 57 | 16% | 0.164 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 131.7 | -177.7 | -51.1 | 172.7 | 0 | 0 | 0 | 110 | L438 I454 V456 A487 V490 I497 | L438-I499 HydrophobicContact CD2-CD1 3.92Å; I454-I499 HydrophobicContact CB-CG1 4.19Å; I454-I499 HydrophobicContact CB-CG2 4.47Å; I454-I499 HydrophobicContact CD1-CG1 4.36Å; I454-I499 HydrophobicContact CG2-CG2 4.28Å; I454-I499 CarbonylContact O-C 3.32Å; I454-I499 VanDerWaalsContact O-CA 3.32Å; I454-I499 WeakPolarHBondContact O-CA 3.45Å; V456-I499 HydrophobicContact CB-CG2 4.48Å; V456-I499 HydrophobicContact CG1-CG2 3.64Å; A487-I499 HydrophobicContact CB-CB 4.02Å; A487-I499 HydrophobicContact CB-CD1 4.35Å; A487-I499 HydrophobicContact CB-CG2 3.62Å; V490-I499 HydrophobicContact CB-CD1 4.03Å; V490-I499 HydrophobicContact CG1-CD1 3.81Å; I497-I499 HydrophobicContact CD1-CD1 3.99Å; I497-I499 HydrophobicContact CD1-CG1 4.22Å; I497-I499 HydrophobicContact CG1-CD1 4.2Å; I497-I499 HydrophobicContact CG1-CG1 3.97Å; I497-I499 HydrophobicContact CG2-CD1 4.04Å; I497-I499 HydrophobicContact CG2-CG1 4.23Å |
| 500 | T | 98.4 | Very high | 95.9 | Very high | 51 Ų | 51 | 56.6 Ų | 56.6 | 31% | 0.313 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 118 | 166.6 | -56.4 | 0 | 0 | 0 | 0 | 108.2 | I454 T455 V456 | I454-T500 PolarHBondContact O-N 3.15Å; T455-T500 CarbonylContact C-O 3.37Å; T455-T500 WeakPolarHBondContact CA-O 3.39Å; V456-T500 PolarHBondContact N-O 3.12Å |
| 501 | A | 98.5 | Very high | 95.6 | Very high | 31 Ų | 31 | 58.6 Ų | 58.6 | 26% | 0.256 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 127.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111 | V456 E484 A487 | V456-A501 HydrophobicContact CG1-CB 4.08Å; V456-A501 CarbonylContact O-C 3.53Å; V456-A501 WeakPolarHBondContact O-CA 3.36Å; E484-A501 HydrophobicContact CB-CB 4.49Å; E484-A501 HydrophobicContact CG-CB 4.06Å; A487-A501 HydrophobicContact CB-CB 4.14Å |
| 502 | H | 98.5 | Very high | 95.3 | Very high | 48 Ų | 48 | 58.8 Ų | 58.8 | 22% | 0.222 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 159.4 | 174.4 | -69.3 | -177.8 | 0 | 0 | 0 | 110.4 | V456 T457 D458 S483 Y514 | V456-H502 PolarHBondContact O-N 2.87Å; T457-H502 WeakPolarHBondContact CA-O 3.36Å; D458-H502 PolarHBondContact N-O 3.39Å; S483-H502 VanDerWaalsContact CB-O 3.27Å; S483-H502 WeakPolarHBondContact CB-O 3.05Å; S483-H502 PolarHBondContact OG-O 3.08Å; H502-Y514 VanDerWaalsContact CB-OH 3.28Å; H502-Y514 WeakPolarHBondContact CB-OH 3.38Å; H502-Y514 AromaticContact ND1-CE1 3.41Å; H502-Y514 WeakPolarHBondContact ND1-CE1 3.44Å; H502-Y514 AromaticContact ND1-CZ 3.61Å; H502-Y514 PolarHBondContact ND1-OH 3.46Å |
| 503 | Q | 97.4 | Very high | 95.2 | Very high | 70 Ų | 70 | 55.6 Ų | 55.6 | 33% | 0.327 | 30% | 0.303 | S | S | . | . | trans | -117.3 | 19.8 | 177.5 | -57.4 | 179.9 | 35.7 | 0 | 0 | 112.3 | D458 P481 E484 | D458-Q503 WeakPolarHBondContact O-CA 3.31Å; P481-Q503 HydrophobicContact CB-CG 4.04Å; P481-Q503 HydrophobicContact CG-CG 4.5Å; E484-Q503 PolarHBondContact OE1-NE2 2.97Å | ||
| 504 | N | 95.9 | Very high | 95.1 | Very high | 56 Ų | 56 | 55.1 Ų | 55.1 | 30% | 0.299 | 30% | 0.3 | S | S | . | . | trans | -81.8 | 132.6 | -175.5 | -50.7 | -50.7 | 0 | 0 | 0 | 109.4 | T457 Y514 | T457-N504 PolarHBondContact OG1-N 3.24Å; T457-N504 PolarHBondContact OG1-O 3.23Å; N504-Y514 HydrophobicContact CB-CE2 3.8Å; N504-Y514 PolarHBondContact ND2-OH 2.93Å | ||
| 505 | R | 93.8 | Very high | 94.8 | Very high | 144 Ų | 144 | 56.9 Ų | 56.9 | 54% | 0.543 | 31% | 0.31 | S | S | . | . | trans | -64.6 | 138.4 | 164.1 | -174.5 | 173.8 | -177.9 | 179.5 | 0.8 | 108.5 | M459 D507 S510 | M459-R505 HydrophobicContact CB-CB 4.36Å; M459-R505 HydrophobicContact CG-CB 4.32Å; M459-R505 HydrophobicContact SD-CB 4.44Å; M459-R505 HydrophobicContact SD-CG 4.37Å; R505-D507 VanDerWaalsContact CD-OD2 3.29Å; R505-D507 WeakPolarHBondContact CD-OD2 3.49Å; R505-D507 WeakPolarHBondContact CG-OD2 3.32Å; R505-D507 IonicContact NE-OD2 2.81Å; R505-D507 PolarHBondContact O-N 3.23Å; R505-S510 WeakPolarHBondContact O-CB 3.48Å; R505-S510 PolarHBondContact O-OG 3.47Å | ||
| 506 | L | 92.9 | Very high | 94.5 | Very high | 17 Ų | 17 | 54.2 Ų | 54.2 | 9% | 0.089 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -85.5 | 96.2 | 177 | -174 | 78.4 | 0 | 0 | 0 | 109.9 | F426 V428 Y514 Y537 L538 | F426-L506 HydrophobicContact CE1-CD1 4.15Å; F426-L506 HydrophobicContact CZ-CD1 4.27Å; V428-L506 HydrophobicContact CG1-CB 3.88Å; V428-L506 HydrophobicContact CG1-CD2 3.74Å; V428-L506 HydrophobicContact CG1-CG 4.33Å; V428-L506 HydrophobicContact CG2-CD2 4.26Å; L506-Y514 HydrophobicContact CD1-CD2 3.96Å; L506-Y514 HydrophobicContact CD1-CE2 4.38Å; L506-Y537 HydrophobicContact CD1-CE1 4.24Å; L506-Y537 HydrophobicContact CD2-CD1 4Å; L506-Y537 HydrophobicContact CD2-CE1 4.43Å; L506-Y537 HydrophobicContact CG-CD1 3.77Å; L506-Y537 HydrophobicContact CG-CE1 3.81Å; L506-L538 HydrophobicContact CD2-CB 3.66Å; L506-L538 HydrophobicContact CD2-CD1 3.67Å; L506-L538 HydrophobicContact CD2-CD2 4.36Å; L506-L538 HydrophobicContact CD2-CG 4.09Å |
| 507 | D | 91.8 | Very high | 94.3 | Very high | 34 Ų | 34 | 52.9 Ų | 52.9 | 18% | 0.182 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -153.3 | -178.2 | -179.9 | 61.3 | 26.9 | 0 | 0 | 0 | 110 | R505 D509 S510 Y537 | R505-D507 VanDerWaalsContact CD-OD2 3.29Å; R505-D507 WeakPolarHBondContact CD-OD2 3.49Å; R505-D507 WeakPolarHBondContact CG-OD2 3.32Å; R505-D507 IonicContact NE-OD2 2.81Å; R505-D507 PolarHBondContact O-N 3.23Å; D507-D509 PolarHBondContact O-N 2.84Å; D507-D509 WeakPolarHBondContact OD1-CB 3.26Å; D507-D509 PolarHBondContact OD1-N 2.87Å; D507-S510 PolarHBondContact N-OG 3.17Å; D507-S510 PolarHBondContact O-N 2.81Å; D507-S510 PolarHBondContact O-OG 2.65Å; D507-S510 PolarHBondContact OD1-N 3.42Å; D507-Y537 VanDerWaalsContact CA-CE1 3.45Å; D507-Y537 PolarHBondContact O-OH 2.85Å |
| 508 | P | 90 | Very high | 94.2 | Very high | 80 Ų | 80 | 54.2 Ų | 54.2 | 52% | 0.519 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -57.4 | -27.5 | 177.8 | -29.1 | 38.3 | 0 | 0 | 0 | 115.1 | S510 E511 Y537 | P508-S510 VanDerWaalsContact C-N 3.26Å; P508-S510 PolarHBondContact O-N 3.37Å; P508-E511 WeakPolarHBondContact O-CB 3.44Å; P508-E511 WeakPolarHBondContact O-CG 3.46Å; P508-E511 PolarHBondContact O-N 3.49Å; P508-Y537 WeakPolarHBondContact CA-OH 3.32Å; P508-Y537 HydrophobicContact CG-CE2 4Å |
| 509 | D | 90 | Very high | 94.1 | Very high | 154 Ų | 154 | 51.3 Ų | 51.3 | 82% | 0.824 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -72.4 | -25.1 | -178.2 | -65.4 | -23.2 | 0 | 0 | 0 | 111.6 | D507 | D507-D509 PolarHBondContact O-N 2.84Å; D507-D509 WeakPolarHBondContact OD1-CB 3.26Å; D507-D509 PolarHBondContact OD1-N 2.87Å |
| 510 | S | 93.1 | Very high | 93.9 | Very high | 9 Ų | 9 | 53.6 Ų | 53.6 | 6% | 0.063 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -83.1 | -2.7 | 177.1 | 71.5 | 0 | 0 | 0 | 0 | 115.4 | R505 D507 P508 G512 V513 Y514 | R505-S510 WeakPolarHBondContact O-CB 3.48Å; R505-S510 PolarHBondContact O-OG 3.47Å; D507-S510 PolarHBondContact N-OG 3.17Å; D507-S510 PolarHBondContact O-N 2.81Å; D507-S510 PolarHBondContact O-OG 2.65Å; D507-S510 PolarHBondContact OD1-N 3.42Å; P508-S510 VanDerWaalsContact C-N 3.26Å; P508-S510 PolarHBondContact O-N 3.37Å; S510-G512 PolarHBondContact O-N 2.84Å; S510-G512 VanDerWaalsContact O-N 3.15Å; S510-V513 PolarHBondContact O-N 2.93Å; S510-Y514 PolarHBondContact O-N 3.37Å |
| 511 | E | 91.2 | Very high | 93.8 | Very high | 43 Ų | 43 | 53 Ų | 53 | 20% | 0.201 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -60.9 | -24.8 | -178.2 | -74 | -173.3 | -130.7 | 0 | 0 | 113.9 | P508 V513 Y514 D515 R541 | P508-E511 WeakPolarHBondContact O-CB 3.44Å; P508-E511 WeakPolarHBondContact O-CG 3.46Å; P508-E511 PolarHBondContact O-N 3.49Å; E511-V513 PolarHBondContact O-N 3.36Å; E511-Y514 CarbonylContact O-C 3.59Å; E511-D515 WeakPolarHBondContact O-CA 3.11Å; E511-D515 WeakPolarHBondContact O-CB 3.43Å; E511-D515 PolarHBondContact O-N 2.91Å; E511-R541 VanDerWaalsContact CD-CZ 3.46Å; E511-R541 VanDerWaalsContact CG-NH2 3.32Å; E511-R541 IonicContact OE1-CZ 3.19Å; E511-R541 IonicContact OE1-NH1 2.85Å; E511-R541 IonicContact OE1-NH2 2.74Å; E511-R541 PolarHBondContact OE1-NH2 2.84Å; E511-R541 IonicContact OE2-CZ 3.04Å; E511-R541 IonicContact OE2-NH1 3.02Å; E511-R541 PolarHBondContact OE2-NH1 2.9Å; E511-R541 IonicContact OE2-NH2 2.99Å; E511-R541 PolarHBondContact OE2-NH2 2.87Å; E511-R541 VanDerWaalsContact OE2-NH2 3.13Å |
| 512 | G | 90.1 | Very high | 93.8 | Very high | 42 Ų | 42 | 52 Ų | 52 | 43% | 0.433 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -67.9 | -23.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S510 | S510-G512 PolarHBondContact O-N 2.84Å; S510-G512 VanDerWaalsContact O-N 3.15Å |
| 513 | V | 94.4 | Very high | 93.8 | Very high | 69 Ų | 69 | 53 Ų | 53 | 42% | 0.418 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -44.6 | 176.4 | -177.4 | 0 | 0 | 0 | 0 | 110.5 | S510 E511 D515 | S510-V513 PolarHBondContact O-N 2.93Å; E511-V513 PolarHBondContact O-N 3.36Å; V513-D515 PolarHBondContact O-N 3.07Å |
| 514 | Y | 95.4 | Very high | 93.8 | Very high | 5 Ų | 5 | 49.7 Ų | 49.7 | 2% | 0.02 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -100.5 | 57.9 | -179.3 | -51.3 | -53.7 | 0 | 0 | 0 | 110.6 | F426 T457 H502 N504 L506 S510 E511 F518 F519 | F426-Y514 HydrophobicContact CE2-CD1 4.38Å; F426-Y514 AromaticContact CE2-CE1 3.91Å; F426-Y514 HydrophobicContact CE2-CE1 3.91Å; F426-Y514 AromaticContact CZ-CD1 3.99Å; F426-Y514 HydrophobicContact CZ-CD1 3.99Å; F426-Y514 HydrophobicContact CZ-CD2 4.35Å; F426-Y514 AromaticContact CZ-CE1 3.82Å; F426-Y514 HydrophobicContact CZ-CE1 3.82Å; F426-Y514 HydrophobicContact CZ-CE2 4.18Å; F426-Y514 HydrophobicContact CZ-CG 4.25Å; F426-Y514 AromaticContact CZ-CZ 3.93Å; T457-Y514 WeakPolarHBondContact CB-OH 3.49Å; T457-Y514 HydrophobicContact CG2-CE2 4.48Å; T457-Y514 PolarHBondContact OG1-OH 3.33Å; H502-Y514 VanDerWaalsContact CB-OH 3.28Å; H502-Y514 WeakPolarHBondContact CB-OH 3.38Å; H502-Y514 AromaticContact ND1-CE1 3.41Å; H502-Y514 WeakPolarHBondContact ND1-CE1 3.44Å; H502-Y514 AromaticContact ND1-CZ 3.61Å; H502-Y514 PolarHBondContact ND1-OH 3.46Å; N504-Y514 HydrophobicContact CB-CE2 3.8Å; N504-Y514 PolarHBondContact ND2-OH 2.93Å; L506-Y514 HydrophobicContact CD1-CD2 3.96Å; L506-Y514 HydrophobicContact CD1-CE2 4.38Å; S510-Y514 PolarHBondContact O-N 3.37Å; E511-Y514 CarbonylContact O-C 3.59Å; Y514-F518 AromaticContact CD1-CD1 3.86Å; Y514-F518 HydrophobicContact CD1-CD1 3.86Å; Y514-F518 HydrophobicContact CD1-CD2 4.39Å; Y514-F518 AromaticContact CD1-CE1 3.61Å; Y514-F518 HydrophobicContact CD1-CE1 3.61Å; Y514-F518 HydrophobicContact CD1-CE2 4.17Å; Y514-F518 HydrophobicContact CD1-CG 4.24Å; Y514-F518 AromaticContact CD1-CZ 3.79Å; Y514-F518 HydrophobicContact CD1-CZ 3.79Å; Y514-F518 HydrophobicContact CE1-CE1 4.36Å; Y514-F518 HydrophobicContact CE1-CE2 4.48Å; Y514-F518 HydrophobicContact CE1-CZ 4.13Å; Y514-F518 HydrophobicContact CG-CD1 4.43Å; Y514-F518 HydrophobicContact CG-CE1 4.38Å; Y514-F519 WeakPolarHBondContact O-CE2 3.4Å |
| 515 | D | 91.8 | Very high | 94 | Very high | 37 Ų | 37 | 47 Ų | 47 | 20% | 0.198 | 26% | 0.264 | C | S | . | . | trans | -76.9 | -177.2 | -177.1 | 75.4 | 2.4 | 0 | 0 | 0 | 112.5 | E511 V513 S517 F518 F519 | E511-D515 WeakPolarHBondContact O-CA 3.11Å; E511-D515 WeakPolarHBondContact O-CB 3.43Å; E511-D515 PolarHBondContact O-N 2.91Å; V513-D515 PolarHBondContact O-N 3.07Å; D515-S517 VanDerWaalsContact C-N 3.27Å; D515-S517 PolarHBondContact O-N 3.14Å; D515-S517 WeakPolarHBondContact OD1-CA 3.39Å; D515-S517 WeakPolarHBondContact OD1-CB 3.47Å; D515-S517 PolarHBondContact OD1-N 3.41Å; D515-F518 WeakPolarHBondContact O-CB 3.44Å; D515-F518 PolarHBondContact O-N 3.08Å; D515-F518 PolarHBondContact OD1-N 2.96Å; D515-F519 PolarHBondContact O-N 3.28Å; D515-F519 VanDerWaalsContact O-N 3.1Å | ||
| 516 | Y | 89.9 | Confident | 94.2 | Very high | 43 Ų | 43 | 40.1 Ų | 40.1 | 17% | 0.169 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -55.5 | -41.7 | 176.6 | 178.2 | -89.2 | 0 | 0 | 0 | 112.5 | F519 M520 H545 K987 M988 M1010 | Y516-F519 PolarHBondContact O-N 3.13Å; Y516-M520 HydrophobicContact CD1-CG 3.83Å; Y516-M520 HydrophobicContact CD2-CG 4.22Å; Y516-M520 HydrophobicContact CE1-CB 4.34Å; Y516-M520 HydrophobicContact CE1-CG 3.38Å; Y516-M520 HydrophobicContact CE2-CG 3.8Å; Y516-M520 HydrophobicContact CE2-SD 4.11Å; Y516-M520 HydrophobicContact CG-CG 4.22Å; Y516-M520 WeakPolarHBondContact O-CB 2.9Å; Y516-M520 VanDerWaalsContact O-CG 3.24Å; Y516-M520 WeakPolarHBondContact O-CG 3.27Å; Y516-M520 PolarHBondContact O-N 2.77Å; Y516-H545 AromaticContact CD2-CE1 3.62Å; Y516-H545 AromaticContact CD2-ND1 3.54Å; Y516-K987 HydrophobicContact CD1-CB 4.36Å; Y516-K987 HydrophobicContact CG-CB 4.41Å; Y516-M988 HydrophobicContact CD2-CB 4.09Å; Y516-M988 HydrophobicContact CE2-CB 4.49Å; Y516-M1010 HydrophobicContact CD1-CE 3.97Å; Y516-M1010 HydrophobicContact CD2-CE 4.32Å; Y516-M1010 HydrophobicContact CE1-CE 3.39Å; Y516-M1010 HydrophobicContact CE2-CE 3.8Å; Y516-M1010 HydrophobicContact CE2-SD 4.05Å; Y516-M1010 HydrophobicContact CG-CE 4.41Å |
| 517 | S | 92.1 | Very high | 94.4 | Very high | 70 Ų | 70 | 39.3 Ų | 39.3 | 49% | 0.49 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -67.5 | -37.9 | -178.7 | -69.6 | 0 | 0 | 0 | 0 | 111.7 | D515 G521 | D515-S517 VanDerWaalsContact C-N 3.27Å; D515-S517 PolarHBondContact O-N 3.14Å; D515-S517 WeakPolarHBondContact OD1-CA 3.39Å; D515-S517 WeakPolarHBondContact OD1-CB 3.47Å; D515-S517 PolarHBondContact OD1-N 3.41Å; S517-G521 PolarHBondContact O-N 2.98Å; S517-G521 VanDerWaalsContact O-N 3.12Å |
| 518 | F | 96.3 | Very high | 94.7 | Very high | 41 Ų | 41 | 38.2 Ų | 38.2 | 18% | 0.18 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58 | -57.8 | 171.9 | 176.3 | -95.3 | 0 | 0 | 0 | 110.9 | F426 T455 Y514 D515 M520 G521 L522 | F426-F518 HydrophobicContact CB-CE1 4.19Å; F426-F518 HydrophobicContact CB-CZ 4.15Å; F426-F518 AromaticContact CD1-CE1 3.74Å; F426-F518 HydrophobicContact CD1-CE1 3.74Å; F426-F518 HydrophobicContact CD1-CZ 4.24Å; F426-F518 HydrophobicContact CD2-CE1 4.09Å; F426-F518 AromaticContact CD2-CZ 3.74Å; F426-F518 HydrophobicContact CD2-CZ 3.74Å; F426-F518 HydrophobicContact CE1-CE1 4.02Å; F426-F518 HydrophobicContact CE2-CE1 4.37Å; F426-F518 HydrophobicContact CE2-CZ 4.13Å; F426-F518 AromaticContact CG-CE1 3.76Å; F426-F518 HydrophobicContact CG-CE1 3.76Å; F426-F518 AromaticContact CG-CZ 3.8Å; F426-F518 HydrophobicContact CG-CZ 3.8Å; F426-F518 HydrophobicContact CZ-CE1 4.32Å; T455-F518 HydrophobicContact CG2-CE2 4.05Å; T455-F518 HydrophobicContact CG2-CZ 3.98Å; Y514-F518 AromaticContact CD1-CD1 3.86Å; Y514-F518 HydrophobicContact CD1-CD1 3.86Å; Y514-F518 HydrophobicContact CD1-CD2 4.39Å; Y514-F518 AromaticContact CD1-CE1 3.61Å; Y514-F518 HydrophobicContact CD1-CE1 3.61Å; Y514-F518 HydrophobicContact CD1-CE2 4.17Å; Y514-F518 HydrophobicContact CD1-CG 4.24Å; Y514-F518 AromaticContact CD1-CZ 3.79Å; Y514-F518 HydrophobicContact CD1-CZ 3.79Å; Y514-F518 HydrophobicContact CE1-CE1 4.36Å; Y514-F518 HydrophobicContact CE1-CE2 4.48Å; Y514-F518 HydrophobicContact CE1-CZ 4.13Å; Y514-F518 HydrophobicContact CG-CD1 4.43Å; Y514-F518 HydrophobicContact CG-CE1 4.38Å; D515-F518 WeakPolarHBondContact O-CB 3.44Å; D515-F518 PolarHBondContact O-N 3.08Å; D515-F518 PolarHBondContact OD1-N 2.96Å; F518-M520 PolarHBondContact O-N 2.93Å; F518-G521 PolarHBondContact O-N 3.37Å; F518-G521 VanDerWaalsContact O-N 3.11Å; F518-L522 HydrophobicContact CD1-CD1 4.28Å; F518-L522 HydrophobicContact CE1-CD1 3.84Å; F518-L522 HydrophobicContact CE1-CD2 4.46Å; F518-L522 HydrophobicContact CE1-CG 4.45Å; F518-L522 HydrophobicContact CZ-CD1 4.43Å; F518-L522 HydrophobicContact CZ-CD2 4.28Å; F518-L522 WeakPolarHBondContact O-CG 3.29Å |
| 519 | F | 96.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.009 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.8 | -44.1 | -178 | -88.2 | -86.4 | 0 | 0 | 0 | 112.3 | F426 Y514 D515 Y516 G521 L522 V525 R541 H545 K547 | F426-F519 HydrophobicContact CD1-CZ 4.49Å; F426-F519 HydrophobicContact CE1-CZ 4.38Å; Y514-F519 WeakPolarHBondContact O-CE2 3.4Å; D515-F519 PolarHBondContact O-N 3.28Å; D515-F519 VanDerWaalsContact O-N 3.1Å; Y516-F519 PolarHBondContact O-N 3.13Å; F519-G521 PolarHBondContact O-N 3.42Å; F519-L522 HydrophobicContact CD1-CD1 4.16Å; F519-L522 WeakPolarHBondContact O-CB 3.36Å; F519-L522 PolarHBondContact O-N 3.39Å; F519-V525 HydrophobicContact CE1-CG2 4.45Å; F519-R541 HydrophobicContact CE1-CB 3.86Å; F519-R541 HydrophobicContact CE2-CB 4.23Å; F519-R541 HydrophobicContact CE2-CG 4.45Å; F519-R541 HydrophobicContact CZ-CB 3.61Å; F519-R541 HydrophobicContact CZ-CG 4.13Å; F519-H545 HydrophobicContact CB-CB 3.82Å; F519-H545 HydrophobicContact CD1-CB 4.32Å; F519-H545 AromaticContact CD1-CD2 3.82Å; F519-H545 AromaticContact CD2-CD2 3.73Å; F519-H545 AromaticContact CD2-NE2 3.89Å; F519-H545 HydrophobicContact CG-CB 4.3Å; F519-H545 AromaticContact CG-CD2 3.42Å; F519-H545 VanDerWaalsContact CG-CD2 3.42Å; F519-H545 WeakPolarHBondContact CG-CD2 3.4Å; F519-H545 AromaticContact CG-CG 3.89Å; F519-K547 WeakPolarHBondContact O-CE 3.39Å; F519-K547 PolarHBondContact O-NZ 3.08Å |
| 520 | M | 93.8 | Very high | 94.9 | Very high | 80 Ų | 80 | 33.1 Ų | 33.1 | 39% | 0.394 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63 | -27.7 | 179 | -70.7 | -50.3 | -67.8 | 0 | 0 | 113 | Y516 F518 L522 H545 K547 | Y516-M520 HydrophobicContact CD1-CG 3.83Å; Y516-M520 HydrophobicContact CD2-CG 4.22Å; Y516-M520 HydrophobicContact CE1-CB 4.34Å; Y516-M520 HydrophobicContact CE1-CG 3.38Å; Y516-M520 HydrophobicContact CE2-CG 3.8Å; Y516-M520 HydrophobicContact CE2-SD 4.11Å; Y516-M520 HydrophobicContact CG-CG 4.22Å; Y516-M520 WeakPolarHBondContact O-CB 2.9Å; Y516-M520 VanDerWaalsContact O-CG 3.24Å; Y516-M520 WeakPolarHBondContact O-CG 3.27Å; Y516-M520 PolarHBondContact O-N 2.77Å; F518-M520 PolarHBondContact O-N 2.93Å; M520-L522 VanDerWaalsContact C-N 3.28Å; M520-L522 PolarHBondContact O-N 3.35Å; M520-H545 HydrophobicContact SD-CB 4.5Å; M520-K547 PolarHBondContact O-NZ 3.08Å |
| 521 | G | 96.4 | Very high | 94.5 | Very high | 37 Ų | 37 | 35.1 Ų | 35.1 | 38% | 0.381 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | K424 S517 F518 F519 | K424-G521 WeakPolarHBondContact CD-O 3.26Å; S517-G521 PolarHBondContact O-N 2.98Å; S517-G521 VanDerWaalsContact O-N 3.12Å; F518-G521 PolarHBondContact O-N 3.37Å; F518-G521 VanDerWaalsContact O-N 3.11Å; F519-G521 PolarHBondContact O-N 3.42Å |
| 522 | L | 98.4 | Very high | 94.4 | Very high | 11 Ų | 11 | 36.4 Ų | 36.4 | 6% | 0.058 | 22% | 0.218 | C | C | . | . | trans | -88.4 | 149.8 | 178.9 | -57.2 | 173.9 | 0 | 0 | 0 | 112.3 | F426 F518 F519 M520 V525 K547 | F426-L522 HydrophobicContact CB-CD1 3.43Å; F426-L522 VanDerWaalsContact CB-CD1 3.43Å; F426-L522 HydrophobicContact CB-CD2 3.93Å; F426-L522 HydrophobicContact CB-CG 4.32Å; F426-L522 HydrophobicContact CD1-CD1 4.34Å; F426-L522 HydrophobicContact CG-CD1 4.26Å; F518-L522 HydrophobicContact CD1-CD1 4.28Å; F518-L522 HydrophobicContact CE1-CD1 3.84Å; F518-L522 HydrophobicContact CE1-CD2 4.46Å; F518-L522 HydrophobicContact CE1-CG 4.45Å; F518-L522 HydrophobicContact CZ-CD1 4.43Å; F518-L522 HydrophobicContact CZ-CD2 4.28Å; F518-L522 WeakPolarHBondContact O-CG 3.29Å; F519-L522 HydrophobicContact CD1-CD1 4.16Å; F519-L522 WeakPolarHBondContact O-CB 3.36Å; F519-L522 PolarHBondContact O-N 3.39Å; M520-L522 VanDerWaalsContact C-N 3.28Å; M520-L522 PolarHBondContact O-N 3.35Å; L522-V525 HydrophobicContact CD1-CG2 4.2Å; L522-K547 PolarHBondContact O-NZ 3.42Å | ||
| 523 | D | 98.6 | Very high | 94.4 | Very high | 69 Ų | 69 | 41.6 Ų | 41.6 | 37% | 0.369 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -89.5 | -29 | 167.8 | -61.2 | -48.5 | 0 | 0 | 0 | 111.7 | Q423 K424 Y425 P548 | Q423-D523 WeakPolarHBondContact CA-OD2 3.13Å; Q423-D523 VanDerWaalsContact OE1-CB 3.3Å; K424-D523 PolarHBondContact N-OD2 3.24Å; K424-D523 PolarHBondContact O-N 3.25Å; Y425-D523 HydrophobicContact CE2-CB 4.26Å; D523-P548 WeakPolarHBondContact O-CD 3.18Å; D523-P548 VanDerWaalsContact O-CG 3.25Å; D523-P548 WeakPolarHBondContact O-CG 3.35Å |
| 524 | G | 98.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.9 | 173.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114 | Y425 F426 | Y425-G524 WeakPolarHBondContact CA-O 3.33Å; F426-G524 PolarHBondContact N-O 3.25Å; F426-G524 VanDerWaalsContact N-O 3.14Å |
| 525 | V | 98.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 143 | -178.2 | 178.3 | 0 | 0 | 0 | 0 | 109.9 | F426 F519 L522 L538 K547 P548 M549 L550 | F426-V525 HydrophobicContact CB-CG2 4.48Å; F426-V525 CarbonylContact O-C 3.47Å; F426-V525 WeakPolarHBondContact O-CA 3.21Å; F519-V525 HydrophobicContact CE1-CG2 4.45Å; L522-V525 HydrophobicContact CD1-CG2 4.2Å; V525-L538 HydrophobicContact CG1-CD1 3.83Å; V525-L538 HydrophobicContact CG1-CD2 3.85Å; V525-L538 HydrophobicContact CG1-CG 4.08Å; V525-K547 HydrophobicContact CG2-CB 4.43Å; V525-P548 PolarHBondContact N-O 3.08Å; V525-M549 HydrophobicContact CB-CB 4.43Å; V525-M549 HydrophobicContact CB-CG 4.28Å; V525-M549 HydrophobicContact CG1-CG 4.18Å; V525-M549 CarbonylContact O-C 3.56Å; V525-M549 WeakPolarHBondContact O-CA 3.27Å; V525-L550 PolarHBondContact O-N 2.87Å |
| 526 | A | 98.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 123.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | F426 M427 V428 L437 F441 | F426-A526 PolarHBondContact O-N 3.37Å; M427-A526 WeakPolarHBondContact CA-O 3.45Å; V428-A526 PolarHBondContact N-O 2.98Å; L437-A526 HydrophobicContact CD1-CB 4.21Å; F441-A526 HydrophobicContact CE2-CB 4.5Å; F441-A526 HydrophobicContact CZ-CB 3.99Å |
| 527 | A | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 124.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | L529 L538 M549 L550 E551 | A527-L529 HydrophobicContact CB-CD1 4.37Å; A527-L538 HydrophobicContact CB-CD2 3.77Å; A527-M549 HydrophobicContact CB-SD 4.43Å; A527-L550 PolarHBondContact N-O 3.09Å; A527-E551 WeakPolarHBondContact CB-OE2 3.46Å |
| 528 | A | 96.8 | Very high | 94.9 | Very high | 10 Ų | 10 | 36.4 Ų | 36.4 | 8% | 0.083 | 20% | 0.198 | C | C | . | . | trans | -128.3 | 48.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | V428 I433 L437 | V428-A528 CarbonylContact O-C 3.52Å; V428-A528 WeakPolarHBondContact O-CA 3.27Å; V428-A528 PolarHBondContact O-N 3.08Å; I433-A528 HydrophobicContact CB-CB 4.06Å; I433-A528 HydrophobicContact CG2-CB 3.93Å; L437-A528 HydrophobicContact CD1-CB 4.39Å | ||
| 529 | L | 94.4 | Very high | 94.9 | Very high | 23 Ų | 23 | 34.7 Ų | 34.7 | 12% | 0.12 | 19% | 0.191 | C | C | . | . | trans | -93 | 163.3 | -169.2 | -64.8 | 168.6 | 0 | 0 | 0 | 112.2 | V428 A527 A534 R535 L538 | V428-L529 HydrophobicContact CB-CD2 4.38Å; V428-L529 HydrophobicContact CG1-CD2 3.73Å; V428-L529 HydrophobicContact CG1-CG 4.47Å; A527-L529 HydrophobicContact CB-CD1 4.37Å; L529-A534 HydrophobicContact CD1-CB 3.91Å; L529-A534 HydrophobicContact CD2-CB 3.89Å; L529-A534 HydrophobicContact CG-CB 4.4Å; L529-R535 HydrophobicContact CB-CG 3.95Å; L529-R535 HydrophobicContact CD1-CB 4.33Å; L529-R535 HydrophobicContact CD1-CG 3.77Å; L529-R535 VanDerWaalsContact O-CZ 3.26Å; L529-R535 PolarHBondContact O-NH1 3.03Å; L529-R535 PolarHBondContact O-NH2 3.1Å; L529-L538 HydrophobicContact CD1-CB 4.5Å; L529-L538 HydrophobicContact CD1-CD2 4.13Å | ||
| 530 | D | 89.6 | Confident | 94.9 | Very high | 104 Ų | 104 | 40.5 Ų | 40.5 | 56% | 0.556 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -119.7 | -5.3 | -179.7 | 65.7 | -6.5 | 0 | 0 | 0 | 113.9 | I852 | D530-I852 WeakPolarHBondContact O-CD1 3.15Š|
| 531 | N | 86.3 | Confident | 94.9 | Very high | 51 Ų | 51 | 38 Ų | 38 | 27% | 0.273 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -128.6 | 155.6 | 178.7 | 66.5 | 88.2 | 0 | 0 | 0 | 111.7 | A534 R535 | N531-A534 WeakPolarHBondContact OD1-CB 3.45Å; N531-A534 PolarHBondContact OD1-N 3.15Å; N531-R535 VanDerWaalsContact N-NH1 3.18Å; N531-R535 WeakPolarHBondContact O-CG 3.43Å; N531-R535 PolarHBondContact O-NH1 3.03Å |
| 532 | V | 88.4 | Confident | 94.9 | Very high | 70 Ų | 70 | 36.2 Ų | 36.2 | 42% | 0.424 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -75.1 | -35.8 | -176.6 | 175.4 | 0 | 0 | 0 | 0 | 111.3 | A534 R535 V536 Y572 | V532-A534 PolarHBondContact O-N 2.9Å; V532-R535 WeakPolarHBondContact O-CB 3.45Å; V532-R535 PolarHBondContact O-N 2.93Å; V532-R535 VanDerWaalsContact O-N 3.16Å; V532-V536 HydrophobicContact CG1-CG2 4.03Å; V532-V536 VanDerWaalsContact O-CG2 3.3Å; V532-V536 WeakPolarHBondContact O-CG2 3.35Å; V532-V536 PolarHBondContact O-N 3.37Å; V532-Y572 HydrophobicContact CG1-CE1 4.46Å |
| 533 | E | 89.8 | Confident | 94.7 | Very high | 152 Ų | 152 | 37.1 Ų | 37.1 | 71% | 0.71 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -60.7 | -48.1 | -176.6 | -66.9 | 166.8 | -171 | 0 | 0 | 112.1 | R535 V536 Y537 | E533-R535 VanDerWaalsContact C-N 3.3Å; E533-R535 PolarHBondContact O-N 2.82Å; E533-V536 PolarHBondContact O-N 3.05Å; E533-Y537 WeakPolarHBondContact O-CB 3.47Å; E533-Y537 PolarHBondContact O-N 2.9Å |
| 534 | A | 91.9 | Very high | 94.4 | Very high | 15 Ų | 15 | 34.7 Ų | 34.7 | 12% | 0.124 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.2 | -34.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L529 N531 V532 Y537 L538 | L529-A534 HydrophobicContact CD1-CB 3.91Å; L529-A534 HydrophobicContact CD2-CB 3.89Å; L529-A534 HydrophobicContact CG-CB 4.4Å; N531-A534 WeakPolarHBondContact OD1-CB 3.45Å; N531-A534 PolarHBondContact OD1-N 3.15Å; V532-A534 PolarHBondContact O-N 2.9Å; A534-Y537 PolarHBondContact O-N 3.1Å; A534-L538 WeakPolarHBondContact O-CB 3.36Å; A534-L538 PolarHBondContact O-N 3.45Å |
| 535 | R | 95.4 | Very high | 94.2 | Very high | 20 Ų | 20 | 35 Ų | 35 | 8% | 0.075 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.5 | -48.5 | 176 | -72.3 | 172.6 | 167.9 | 86.9 | 1.2 | 111.1 | L529 N531 V532 E533 Y537 L538 D539 E551 G552 Y572 | L529-R535 HydrophobicContact CB-CG 3.95Å; L529-R535 HydrophobicContact CD1-CB 4.33Å; L529-R535 HydrophobicContact CD1-CG 3.77Å; L529-R535 VanDerWaalsContact O-CZ 3.26Å; L529-R535 PolarHBondContact O-NH1 3.03Å; L529-R535 PolarHBondContact O-NH2 3.1Å; N531-R535 VanDerWaalsContact N-NH1 3.18Å; N531-R535 WeakPolarHBondContact O-CG 3.43Å; N531-R535 PolarHBondContact O-NH1 3.03Å; V532-R535 WeakPolarHBondContact O-CB 3.45Å; V532-R535 PolarHBondContact O-N 2.93Å; V532-R535 VanDerWaalsContact O-N 3.16Å; E533-R535 VanDerWaalsContact C-N 3.3Å; E533-R535 PolarHBondContact O-N 2.82Å; R535-Y537 VanDerWaalsContact C-N 3.3Å; R535-Y537 PolarHBondContact O-N 2.9Å; R535-L538 PolarHBondContact O-N 2.68Å; R535-D539 VanDerWaalsContact O-CB 3.27Å; R535-D539 WeakPolarHBondContact O-CB 3.45Å; R535-D539 PolarHBondContact O-N 2.85Å; R535-E551 WeakPolarHBondContact CD-OE1 3.37Å; R535-E551 IonicContact CZ-OE1 3.85Å; R535-E551 IonicContact NE-OE1 3.99Å; R535-E551 PolarHBondContact NE-OE1 3.33Å; R535-E551 IonicContact NH2-OE1 2.65Å; R535-G552 PolarHBondContact NH2-O 3.45Å; R535-Y572 HydrophobicContact CB-CD1 4.25Å; R535-Y572 HydrophobicContact CB-CE1 3.84Å; R535-Y572 WeakPolarHBondContact CD-OH 3.25Å |
| 536 | V | 94.9 | Very high | 94 | Very high | 42 Ų | 42 | 38 Ų | 38 | 26% | 0.255 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -60.8 | -41.9 | 177.2 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | V532 E533 K540 Y572 G575 | V532-V536 HydrophobicContact CG1-CG2 4.03Å; V532-V536 VanDerWaalsContact O-CG2 3.3Å; V532-V536 WeakPolarHBondContact O-CG2 3.35Å; V532-V536 PolarHBondContact O-N 3.37Å; E533-V536 PolarHBondContact O-N 3.05Å; V536-K540 WeakPolarHBondContact O-CB 3.41Å; V536-K540 PolarHBondContact O-N 3.4Å; V536-Y572 HydrophobicContact CG2-CD1 4.17Å; V536-Y572 HydrophobicContact CG2-CE1 3.92Å; V536-G575 VanDerWaalsContact CG2-N 3.25Å |
| 537 | Y | 95.5 | Very high | 93.9 | Very high | 37 Ų | 37 | 39.2 Ų | 39.2 | 15% | 0.145 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.1 | -45.2 | 177.6 | -178.1 | -105.1 | 0 | 0 | 0 | 112.3 | L506 D507 P508 E533 A534 R535 K540 R541 | L506-Y537 HydrophobicContact CD1-CE1 4.24Å; L506-Y537 HydrophobicContact CD2-CD1 4Å; L506-Y537 HydrophobicContact CD2-CE1 4.43Å; L506-Y537 HydrophobicContact CG-CD1 3.77Å; L506-Y537 HydrophobicContact CG-CE1 3.81Å; D507-Y537 VanDerWaalsContact CA-CE1 3.45Å; D507-Y537 PolarHBondContact O-OH 2.85Å; P508-Y537 WeakPolarHBondContact CA-OH 3.32Å; P508-Y537 HydrophobicContact CG-CE2 4Å; E533-Y537 WeakPolarHBondContact O-CB 3.47Å; E533-Y537 PolarHBondContact O-N 2.9Å; A534-Y537 PolarHBondContact O-N 3.1Å; R535-Y537 VanDerWaalsContact C-N 3.3Å; R535-Y537 PolarHBondContact O-N 2.9Å; Y537-K540 PolarHBondContact O-N 2.79Å; Y537-R541 HydrophobicContact CE1-CG 4.46Å; Y537-R541 WeakPolarHBondContact O-CG 3.36Å; Y537-R541 PolarHBondContact O-N 2.97Å; Y537-R541 PolarHBondContact OH-NE 3.42Å; Y537-R541 PolarHBondContact OH-NH2 2.75Å |
| 538 | L | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.4 | -44.5 | 176.3 | -176.6 | 55.5 | 0 | 0 | 0 | 112 | V428 L506 V525 A527 L529 A534 R535 K540 R541 C542 M549 | V428-L538 HydrophobicContact CB-CD2 3.89Å; V428-L538 HydrophobicContact CG1-CD2 4.5Å; V428-L538 HydrophobicContact CG2-CD1 3.98Å; V428-L538 HydrophobicContact CG2-CD2 3.63Å; V428-L538 HydrophobicContact CG2-CG 4.46Å; L506-L538 HydrophobicContact CD2-CB 3.66Å; L506-L538 HydrophobicContact CD2-CD1 3.67Å; L506-L538 HydrophobicContact CD2-CD2 4.36Å; L506-L538 HydrophobicContact CD2-CG 4.09Å; V525-L538 HydrophobicContact CG1-CD1 3.83Å; V525-L538 HydrophobicContact CG1-CD2 3.85Å; V525-L538 HydrophobicContact CG1-CG 4.08Å; A527-L538 HydrophobicContact CB-CD2 3.77Å; L529-L538 HydrophobicContact CD1-CB 4.5Å; L529-L538 HydrophobicContact CD1-CD2 4.13Å; A534-L538 WeakPolarHBondContact O-CB 3.36Å; A534-L538 PolarHBondContact O-N 3.45Å; R535-L538 PolarHBondContact O-N 2.68Å; L538-K540 VanDerWaalsContact C-N 3.32Å; L538-K540 PolarHBondContact O-N 2.68Å; L538-R541 WeakPolarHBondContact O-CB 3.42Å; L538-R541 PolarHBondContact O-N 3.25Å; L538-R541 VanDerWaalsContact O-N 3.08Å; L538-C542 PolarHBondContact O-N 3.29Å; L538-C542 PolarHBondContact O-SG 3.18Å; L538-C542 VanDerWaalsContact O-SG 3.37Å; L538-M549 HydrophobicContact CD2-SD 4.09Å; L538-M549 HydrophobicContact CG-SD 3.88Å |
| 539 | D | 97 | Very high | 94 | Very high | 6 Ų | 6 | 39.8 Ų | 39.8 | 3% | 0.032 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.4 | -46.7 | 175.9 | -176.8 | 64.6 | 0 | 0 | 0 | 111.4 | R535 R541 C542 V543 M549 S571 Y572 G573 | R535-D539 VanDerWaalsContact O-CB 3.27Å; R535-D539 WeakPolarHBondContact O-CB 3.45Å; R535-D539 PolarHBondContact O-N 2.85Å; D539-R541 VanDerWaalsContact C-N 3.28Å; D539-R541 PolarHBondContact O-N 3Å; D539-C542 WeakPolarHBondContact O-CB 3.31Å; D539-C542 PolarHBondContact O-N 2.67Å; D539-C542 VanDerWaalsContact O-N 3.1Å; D539-V543 WeakPolarHBondContact O-CG2 3.42Å; D539-V543 PolarHBondContact O-N 3.22Å; D539-M549 HydrophobicContact CB-CE 4.01Å; D539-S571 WeakPolarHBondContact OD1-CB 3.41Å; D539-S571 VanDerWaalsContact OD2-CB 3.3Å; D539-S571 WeakPolarHBondContact OD2-CB 3.35Å; D539-S571 PolarHBondContact OD2-OG 3.19Å; D539-Y572 VanDerWaalsContact CG-CB 3.44Å; D539-Y572 VanDerWaalsContact CG-N 3.33Å; D539-Y572 WeakPolarHBondContact OD1-CB 3.25Å; D539-Y572 PolarHBondContact OD1-N 2.83Å; D539-Y572 PolarHBondContact OD2-N 2.88Å; D539-G573 PolarHBondContact OD2-N 2.81Å |
| 540 | K | 94.5 | Very high | 94.2 | Very high | 123 Ų | 123 | 38.8 Ų | 38.8 | 54% | 0.535 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -56.1 | -42.8 | 175 | -177.9 | 179 | 176.1 | -179.6 | 0 | 111.9 | V536 Y537 L538 V543 Q544 | V536-K540 WeakPolarHBondContact O-CB 3.41Å; V536-K540 PolarHBondContact O-N 3.4Å; Y537-K540 PolarHBondContact O-N 2.79Å; L538-K540 VanDerWaalsContact C-N 3.32Å; L538-K540 PolarHBondContact O-N 2.68Å; K540-V543 PolarHBondContact O-N 3.22Å; K540-Q544 VanDerWaalsContact O-CB 3.25Å; K540-Q544 WeakPolarHBondContact O-CB 3.38Å; K540-Q544 PolarHBondContact O-N 3.34Å |
| 541 | R | 95 | Very high | 94.6 | Very high | 27 Ų | 27 | 33.8 Ų | 33.8 | 10% | 0.102 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.2 | -42.2 | 176 | -65.1 | -65.2 | 176.4 | -177.4 | -8 | 112 | E511 F519 Y537 L538 D539 V543 Q544 H545 | E511-R541 VanDerWaalsContact CD-CZ 3.46Å; E511-R541 VanDerWaalsContact CG-NH2 3.32Å; E511-R541 IonicContact OE1-CZ 3.19Å; E511-R541 IonicContact OE1-NH1 2.85Å; E511-R541 IonicContact OE1-NH2 2.74Å; E511-R541 PolarHBondContact OE1-NH2 2.84Å; E511-R541 IonicContact OE2-CZ 3.04Å; E511-R541 IonicContact OE2-NH1 3.02Å; E511-R541 PolarHBondContact OE2-NH1 2.9Å; E511-R541 IonicContact OE2-NH2 2.99Å; E511-R541 PolarHBondContact OE2-NH2 2.87Å; E511-R541 VanDerWaalsContact OE2-NH2 3.13Å; F519-R541 HydrophobicContact CE1-CB 3.86Å; F519-R541 HydrophobicContact CE2-CB 4.23Å; F519-R541 HydrophobicContact CE2-CG 4.45Å; F519-R541 HydrophobicContact CZ-CB 3.61Å; F519-R541 HydrophobicContact CZ-CG 4.13Å; Y537-R541 HydrophobicContact CE1-CG 4.46Å; Y537-R541 WeakPolarHBondContact O-CG 3.36Å; Y537-R541 PolarHBondContact O-N 2.97Å; Y537-R541 PolarHBondContact OH-NE 3.42Å; Y537-R541 PolarHBondContact OH-NH2 2.75Å; L538-R541 WeakPolarHBondContact O-CB 3.42Å; L538-R541 PolarHBondContact O-N 3.25Å; L538-R541 VanDerWaalsContact O-N 3.08Å; D539-R541 VanDerWaalsContact C-N 3.28Å; D539-R541 PolarHBondContact O-N 3Å; R541-V543 VanDerWaalsContact C-N 3.34Å; R541-V543 PolarHBondContact O-N 3.41Å; R541-Q544 PolarHBondContact O-N 3.16Å; R541-H545 WeakPolarHBondContact O-CB 3.39Å; R541-H545 PolarHBondContact O-CD2 3.31Å; R541-H545 PolarHBondContact O-N 3.45Å |
| 542 | C | 96.7 | Very high | 95 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61 | -42.7 | 176.2 | -69.6 | 0 | 0 | 0 | 0 | 111.7 | L538 D539 Q546 K547 M549 | L538-C542 PolarHBondContact O-N 3.29Å; L538-C542 PolarHBondContact O-SG 3.18Å; L538-C542 VanDerWaalsContact O-SG 3.37Å; D539-C542 WeakPolarHBondContact O-CB 3.31Å; D539-C542 PolarHBondContact O-N 2.67Å; D539-C542 VanDerWaalsContact O-N 3.1Å; C542-Q546 CarbonylContact O-C 3.49Å; C542-Q546 WeakPolarHBondContact O-CA 3.33Å; C542-Q546 PolarHBondContact O-N 3.12Å; C542-K547 PolarHBondContact O-N 2.83Å; C542-M549 HydrophobicContact CB-CB 4.37Å; C542-M549 HydrophobicContact CB-SD 4.5Å |
| 543 | V | 94.6 | Very high | 95.4 | Very high | 31 Ų | 31 | 28.1 Ų | 28.1 | 19% | 0.188 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.8 | -52.4 | 173.5 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | D539 K540 R541 H545 Q546 L915 W916 | D539-V543 WeakPolarHBondContact O-CG2 3.42Å; D539-V543 PolarHBondContact O-N 3.22Å; K540-V543 PolarHBondContact O-N 3.22Å; R541-V543 VanDerWaalsContact C-N 3.34Å; R541-V543 PolarHBondContact O-N 3.41Å; V543-H545 VanDerWaalsContact C-N 3.25Å; V543-H545 PolarHBondContact O-N 3.25Å; V543-Q546 PolarHBondContact O-N 3.19Å; V543-Q546 VanDerWaalsContact O-N 3.08Å; V543-L915 HydrophobicContact CB-CD1 4.33Å; V543-L915 HydrophobicContact CG1-CD1 3.63Å; V543-L915 HydrophobicContact CG2-CD1 3.68Å; V543-W916 HydrophobicContact CB-CZ3 4.29Å; V543-W916 HydrophobicContact CG1-CE3 4.49Å; V543-W916 HydrophobicContact CG2-CH2 3.92Å; V543-W916 HydrophobicContact CG2-CZ2 4.38Å; V543-W916 HydrophobicContact CG2-CZ3 4.11Å |
| 544 | Q | 91.3 | Very high | 95.7 | Very high | 17 Ų | 17 | 22.5 Ų | 22.5 | 8% | 0.079 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -55.1 | -39.7 | -179.5 | -179.5 | 175 | 20.3 | 0 | 0 | 113.1 | K540 R541 M988 E990 R1008 | K540-Q544 VanDerWaalsContact O-CB 3.25Å; K540-Q544 WeakPolarHBondContact O-CB 3.38Å; K540-Q544 PolarHBondContact O-N 3.34Å; R541-Q544 PolarHBondContact O-N 3.16Å; Q544-M988 HydrophobicContact CG-CE 3.54Å; Q544-E990 VanDerWaalsContact CG-OE1 3.32Å; Q544-E990 WeakPolarHBondContact CG-OE1 3.43Å; Q544-E990 PolarHBondContact NE2-OE1 2.79Å; Q544-E990 PolarHBondContact NE2-OE2 2.97Å; Q544-E990 VanDerWaalsContact NE2-OE2 3.12Å; Q544-R1008 PolarHBondContact O-NH1 3.09Å |
| 545 | H | 93.3 | Very high | 95.8 | Very high | 8 Ų | 8 | 26 Ų | 26 | 4% | 0.037 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 6.1 | -177.8 | -60.7 | -64.3 | 0 | 0 | 0 | 113.8 | Y516 F519 M520 R541 V543 K547 | Y516-H545 AromaticContact CD2-CE1 3.62Å; Y516-H545 AromaticContact CD2-ND1 3.54Å; F519-H545 HydrophobicContact CB-CB 3.82Å; F519-H545 HydrophobicContact CD1-CB 4.32Å; F519-H545 AromaticContact CD1-CD2 3.82Å; F519-H545 AromaticContact CD2-CD2 3.73Å; F519-H545 AromaticContact CD2-NE2 3.89Å; F519-H545 HydrophobicContact CG-CB 4.3Å; F519-H545 AromaticContact CG-CD2 3.42Å; F519-H545 VanDerWaalsContact CG-CD2 3.42Å; F519-H545 WeakPolarHBondContact CG-CD2 3.4Å; F519-H545 AromaticContact CG-CG 3.89Å; M520-H545 HydrophobicContact SD-CB 4.5Å; R541-H545 WeakPolarHBondContact O-CB 3.39Å; R541-H545 PolarHBondContact O-CD2 3.31Å; R541-H545 PolarHBondContact O-N 3.45Å; V543-H545 VanDerWaalsContact C-N 3.25Å; V543-H545 PolarHBondContact O-N 3.25Å; H545-K547 VanDerWaalsContact C-N 3.3Å; H545-K547 HydrophobicContact CB-CG 3.97Å; H545-K547 WeakPolarHBondContact O-CE 3.33Å; H545-K547 PolarHBondContact O-N 2.88Å |
| 546 | Q | 94.7 | Very high | 95.8 | Very high | 62 Ų | 62 | 25.3 Ų | 25.3 | 29% | 0.29 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 47.7 | -177.7 | -60.9 | 177.4 | -9.8 | 0 | 0 | 112.7 | C542 V543 P566 D918 | C542-Q546 CarbonylContact O-C 3.49Å; C542-Q546 WeakPolarHBondContact O-CA 3.33Å; C542-Q546 PolarHBondContact O-N 3.12Å; V543-Q546 PolarHBondContact O-N 3.19Å; V543-Q546 VanDerWaalsContact O-N 3.08Å; Q546-P566 WeakPolarHBondContact O-CG 3.32Å; Q546-D918 PolarHBondContact NE2-OD2 3.44Å |
| 547 | K | 97.5 | Very high | 95.9 | Very high | 25 Ų | 25 | 23.8 Ų | 23.8 | 11% | 0.109 | 12% | 0.119 | C | C | . | . | trans | -105.3 | 136 | -180 | -60.9 | -64 | 162 | 169.7 | 0 | 111.1 | F519 M520 L522 V525 C542 H545 | F519-K547 WeakPolarHBondContact O-CE 3.39Å; F519-K547 PolarHBondContact O-NZ 3.08Å; M520-K547 PolarHBondContact O-NZ 3.08Å; L522-K547 PolarHBondContact O-NZ 3.42Å; V525-K547 HydrophobicContact CG2-CB 4.43Å; C542-K547 PolarHBondContact O-N 2.83Å; H545-K547 VanDerWaalsContact C-N 3.3Å; H545-K547 HydrophobicContact CB-CG 3.97Å; H545-K547 WeakPolarHBondContact O-CE 3.33Å; H545-K547 PolarHBondContact O-N 2.88Å | ||
| 548 | P | 98.2 | Very high | 96 | Very high | 22 Ų | 22 | 25.6 Ų | 25.6 | 14% | 0.143 | 13% | 0.127 | C | C | . | . | trans | -68.8 | 147.8 | 173 | 30.3 | -33.7 | 0 | 0 | 0 | 110.6 | D523 V525 V564 L873 | D523-P548 WeakPolarHBondContact O-CD 3.18Å; D523-P548 VanDerWaalsContact O-CG 3.25Å; D523-P548 WeakPolarHBondContact O-CG 3.35Å; V525-P548 PolarHBondContact N-O 3.08Å; P548-V564 VanDerWaalsContact CA-O 3.26Å; P548-V564 WeakPolarHBondContact CA-O 3.36Å; P548-L873 HydrophobicContact CB-CD1 4.23Å; P548-L873 HydrophobicContact CB-CD2 3.77Å | ||
| 549 | M | 98.3 | Very high | 96.1 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 133.9 | -178.4 | -173.5 | 177.1 | 68.5 | 0 | 0 | 111.2 | V525 A527 L538 D539 C542 E551 V564 | V525-M549 HydrophobicContact CB-CB 4.43Å; V525-M549 HydrophobicContact CB-CG 4.28Å; V525-M549 HydrophobicContact CG1-CG 4.18Å; V525-M549 CarbonylContact O-C 3.56Å; V525-M549 WeakPolarHBondContact O-CA 3.27Å; A527-M549 HydrophobicContact CB-SD 4.43Å; L538-M549 HydrophobicContact CD2-SD 4.09Å; L538-M549 HydrophobicContact CG-SD 3.88Å; D539-M549 HydrophobicContact CB-CE 4.01Å; C542-M549 HydrophobicContact CB-CB 4.37Å; C542-M549 HydrophobicContact CB-SD 4.5Å; M549-E551 HydrophobicContact CE-CB 4.38Å; M549-V564 HydrophobicContact CB-CB 4.14Å; M549-V564 HydrophobicContact CE-CG2 3.93Å; M549-V564 PolarHBondContact N-O 3.43Å; M549-V564 PolarHBondContact O-N 2.91Å |
| 550 | L | 98.4 | Very high | 96 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 127.1 | 164.6 | -65.1 | 169.2 | 0 | 0 | 0 | 108.7 | V525 A527 V563 M866 E869 L870 L873 | V525-L550 PolarHBondContact O-N 2.87Å; A527-L550 PolarHBondContact N-O 3.09Å; L550-V563 HydrophobicContact CD2-CG2 4.17Å; L550-M866 HydrophobicContact CB-CE 3.93Å; L550-M866 WeakPolarHBondContact CD2-O 3.49Å; L550-E869 HydrophobicContact CD2-CB 3.82Å; L550-L870 HydrophobicContact CD1-CB 3.7Å; L550-L870 HydrophobicContact CD1-CD1 3.64Å; L550-L870 HydrophobicContact CD1-CG 4.21Å; L550-L873 HydrophobicContact CD1-CD1 4.39Å; L550-L873 HydrophobicContact CD2-CD1 3.61Å; L550-L873 HydrophobicContact CG-CD1 3.76Å |
| 551 | E | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 140.7 | 179.8 | 172.7 | 58.5 | -137.7 | 0 | 0 | 110.1 | A527 R535 M549 T561 L562 Y572 | A527-E551 WeakPolarHBondContact CB-OE2 3.46Å; R535-E551 WeakPolarHBondContact CD-OE1 3.37Å; R535-E551 IonicContact CZ-OE1 3.85Å; R535-E551 IonicContact NE-OE1 3.99Å; R535-E551 PolarHBondContact NE-OE1 3.33Å; R535-E551 IonicContact NH2-OE1 2.65Å; M549-E551 HydrophobicContact CE-CB 4.38Å; E551-T561 WeakPolarHBondContact O-CA 3.42Å; E551-L562 HydrophobicContact CB-CB 4.18Å; E551-L562 HydrophobicContact CG-CB 4.44Å; E551-L562 PolarHBondContact N-O 3.3Å; E551-L562 PolarHBondContact O-N 2.78Å; E551-L562 VanDerWaalsContact O-O 3.12Å; E551-Y572 HydrophobicContact CG-CD2 4.05Å; E551-Y572 HydrophobicContact CG-CE2 4.3Å |
| 552 | G | 96.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 149.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I433 R535 H560 | I433-G552 WeakPolarHBondContact CD1-O 3.35Å; R535-G552 PolarHBondContact NH2-O 3.45Å; G552-H560 WeakPolarHBondContact CA-O 3.35Å |
| 553 | G | 96.2 | Very high | 96.3 | Very high | 2 Ų | 2 | 22.6 Ų | 22.6 | 2% | 0.021 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 150.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | G559 H560 | G553-G559 CarbonylContact O-C 3.55Å; G553-G559 VanDerWaalsContact O-CA 3.3Å; G553-G559 WeakPolarHBondContact O-CA 3.21Å; G553-H560 VanDerWaalsContact CA-CE1 3.49Å; G553-H560 WeakPolarHBondContact CA-CE1 3.4Å; G553-H560 PolarHBondContact N-O 2.86Å; G553-H560 VanDerWaalsContact N-O 3.1Å; G553-H560 PolarHBondContact O-N 2.62Å; G553-H560 PolarHBondContact O-ND1 2.77Å |
| 554 | T | 96.9 | Very high | 96.4 | Very high | 34 Ų | 34 | 21.1 Ų | 21.1 | 21% | 0.209 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 142.5 | -175.7 | 60.6 | 0 | 0 | 0 | 0 | 110.5 | I433 K558 T858 V862 | I433-T554 HydrophobicContact CD1-CG2 4.09Å; I433-T554 HydrophobicContact CG1-CG2 4.35Å; T554-K558 CarbonylContact C-O 3.57Å; T554-K558 WeakPolarHBondContact CA-O 3.41Å; T554-T858 HydrophobicContact CG2-CG2 4.19Å; T554-V862 HydrophobicContact CG2-CB 4.28Å; T554-V862 HydrophobicContact CG2-CG2 4Å |
| 555 | L | 94.4 | Very high | 96.7 | Very high | 88 Ų | 88 | 21 Ų | 21 | 46% | 0.461 | 11% | 0.11 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 99.3 | 170.4 | 178.4 | 66.6 | 0 | 0 | 0 | 109 | S557 K558 I852 | L555-S557 PolarHBondContact O-N 3.1Å; L555-K558 PolarHBondContact N-O 3.13Å; L555-K558 VanDerWaalsContact O-CB 3.32Å; L555-K558 WeakPolarHBondContact O-CB 3.33Å; L555-K558 PolarHBondContact O-N 2.93Å; L555-I852 HydrophobicContact CD1-CG2 3.74Å |
| 556 | G | 95.3 | Very high | 96.9 | Very high | 6 Ų | 6 | 21.9 Ų | 21.9 | 6% | 0.062 | 12% | 0.116 | C | C | . | . | B | Isolated β-bridge | trans | 56.1 | -119.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | K558 P853 T858 | G556-K558 VanDerWaalsContact C-N 3.31Å; G556-P853 PolarHBondContact N-O 2.9Å; G556-T858 WeakPolarHBondContact O-CB 3.38Å; G556-T858 PolarHBondContact O-OG1 3.13Å |
| 557 | S | 96.7 | Very high | 97 | Very high | 10 Ų | 10 | 23.8 Ų | 23.8 | 7% | 0.07 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -11.4 | 176.1 | 58.8 | 0 | 0 | 0 | 0 | 114.2 | L555 T858 N889 L890 A891 | L555-S557 PolarHBondContact O-N 3.1Å; S557-T858 WeakPolarHBondContact CA-OG1 3.4Å; S557-T858 PolarHBondContact O-OG1 3.03Å; S557-N889 WeakPolarHBondContact CB-OD1 3.14Å; S557-N889 PolarHBondContact OG-OD1 3.3Å; S557-L890 PolarHBondContact O-N 3.07Å; S557-A891 VanDerWaalsContact OG-CB 3.3Å; S557-A891 WeakPolarHBondContact OG-CB 3.48Å |
| 558 | K | 97.9 | Very high | 96.9 | Very high | 75 Ų | 75 | 23.5 Ų | 23.5 | 33% | 0.326 | 13% | 0.125 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 141 | -176.8 | -57.8 | 169.3 | -174.3 | 170.4 | 0 | 110.7 | E171 T554 L555 G556 T858 L888 N889 | E171-K558 WeakPolarHBondContact OE1-CE 3.13Å; E171-K558 IonicContact OE1-NZ 3.84Å; E171-K558 PolarHBondContact OE1-NZ 3.03Å; E171-K558 IonicContact OE2-NZ 4Å; T554-K558 CarbonylContact C-O 3.57Å; T554-K558 WeakPolarHBondContact CA-O 3.41Å; L555-K558 PolarHBondContact N-O 3.13Å; L555-K558 VanDerWaalsContact O-CB 3.32Å; L555-K558 WeakPolarHBondContact O-CB 3.33Å; L555-K558 PolarHBondContact O-N 2.93Å; G556-K558 VanDerWaalsContact C-N 3.31Å; K558-T858 WeakPolarHBondContact O-CG2 3.19Å; K558-L888 CarbonylContact C-O 3.51Å; K558-L888 VanDerWaalsContact CA-O 3.3Å; K558-L888 WeakPolarHBondContact CA-O 3.46Å; K558-N889 HydrophobicContact CG-CB 4.17Å |
| 559 | G | 97.1 | Very high | 96.9 | Very high | 6 Ų | 6 | 22.5 Ų | 22.5 | 6% | 0.062 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 155.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | G553 L888 | G553-G559 CarbonylContact O-C 3.55Å; G553-G559 VanDerWaalsContact O-CA 3.3Å; G553-G559 WeakPolarHBondContact O-CA 3.21Å; G559-L888 PolarHBondContact N-O 3.47Å; G559-L888 PolarHBondContact O-N 3.41Å |
| 560 | H | 96.8 | Very high | 96.7 | Very high | 59 Ų | 59 | 26 Ų | 26 | 27% | 0.273 | 13% | 0.134 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 155.5 | 169 | 69.2 | -77.7 | 0 | 0 | 0 | 111.7 | G552 G553 A886 Y887 | G552-H560 WeakPolarHBondContact CA-O 3.35Å; G553-H560 VanDerWaalsContact CA-CE1 3.49Å; G553-H560 WeakPolarHBondContact CA-CE1 3.4Å; G553-H560 PolarHBondContact N-O 2.86Å; G553-H560 VanDerWaalsContact N-O 3.1Å; G553-H560 PolarHBondContact O-N 2.62Å; G553-H560 PolarHBondContact O-ND1 2.77Å; H560-A886 CarbonylContact C-O 3.59Å; H560-A886 WeakPolarHBondContact CA-O 3.31Å; H560-A886 WeakPolarHBondContact CB-O 3.42Å; H560-Y887 HydrophobicContact CB-CD1 3.73Å; H560-Y887 HydrophobicContact CB-CE1 3.96Å |
| 561 | T | 97.4 | Very high | 96.5 | Very high | 3 Ų | 3 | 26.9 Ų | 26.9 | 2% | 0.018 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 143.2 | 169 | 64.4 | 0 | 0 | 0 | 0 | 110.3 | E551 V862 L865 M866 T885 A886 | E551-T561 WeakPolarHBondContact O-CA 3.42Å; T561-V862 HydrophobicContact CG2-CG1 3.97Å; T561-L865 HydrophobicContact CG2-CB 3.75Å; T561-M866 HydrophobicContact CG2-CG 3.66Å; T561-T885 WeakPolarHBondContact O-CA 3.47Å; T561-T885 WeakPolarHBondContact O-CG2 3.36Å; T561-A886 PolarHBondContact N-O 3.34Å; T561-A886 PolarHBondContact O-N 3.38Å; T561-A886 VanDerWaalsContact OG1-CB 3.26Å; T561-A886 WeakPolarHBondContact OG1-CB 3.3Å; T561-A886 PolarHBondContact OG1-N 3.11Å |
| 562 | L | 95.9 | Very high | 96.3 | Very high | 23 Ų | 23 | 29.9 Ų | 29.9 | 12% | 0.12 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 140.3 | 173.4 | 176.2 | 70.3 | 0 | 0 | 0 | 108.4 | E551 V564 Y572 T885 | E551-L562 HydrophobicContact CB-CB 4.18Å; E551-L562 HydrophobicContact CG-CB 4.44Å; E551-L562 PolarHBondContact N-O 3.3Å; E551-L562 PolarHBondContact O-N 2.78Å; E551-L562 VanDerWaalsContact O-O 3.12Å; L562-V564 HydrophobicContact CD2-CG2 4.17Å; L562-V564 HydrophobicContact CG-CG2 4.34Å; L562-Y572 HydrophobicContact CD2-CD2 3.99Å; L562-T885 HydrophobicContact CD1-CG2 4.47Å |
| 563 | V | 97.2 | Very high | 95.9 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 127.7 | 171.6 | 60.5 | 0 | 0 | 0 | 0 | 109.1 | L550 V565 E869 L873 Y883 P900 | L550-V563 HydrophobicContact CD2-CG2 4.17Å; V563-V565 HydrophobicContact CG2-CG2 3.86Å; V563-E869 HydrophobicContact CB-CB 4.27Å; V563-E869 HydrophobicContact CB-CG 4.47Å; V563-E869 HydrophobicContact CG1-CG 4.49Å; V563-E869 HydrophobicContact CG2-CB 4.37Å; V563-L873 HydrophobicContact CG2-CD1 4.02Å; V563-L873 HydrophobicContact CG2-CD2 3.85Å; V563-L873 HydrophobicContact CG2-CG 4.01Å; V563-Y883 HydrophobicContact CG1-CD1 3.82Å; V563-Y883 HydrophobicContact CG1-CG 4.17Å; V563-Y883 HydrophobicContact CG2-CD1 4.04Å; V563-Y883 HydrophobicContact CG2-CE1 4.24Å; V563-P900 HydrophobicContact CG1-CG 4.07Å |
| 564 | V | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 115.9 | 177.3 | -179.6 | 0 | 0 | 0 | 0 | 108.1 | P548 M549 L562 T569 W916 | P548-V564 VanDerWaalsContact CA-O 3.26Å; P548-V564 WeakPolarHBondContact CA-O 3.36Å; M549-V564 HydrophobicContact CB-CB 4.14Å; M549-V564 HydrophobicContact CE-CG2 3.93Å; M549-V564 PolarHBondContact N-O 3.43Å; M549-V564 PolarHBondContact O-N 2.91Å; L562-V564 HydrophobicContact CD2-CG2 4.17Å; L562-V564 HydrophobicContact CG-CG2 4.34Å; V564-T569 WeakPolarHBondContact CA-OG1 3.4Å; V564-W916 HydrophobicContact CG1-CH2 3.61Å; V564-W916 HydrophobicContact CG1-CZ2 3.48Å; V564-W916 VanDerWaalsContact CG1-CZ2 3.48Å |
| 565 | V | 98.1 | Very high | 93.4 | Very high | 14 Ų | 14 | 35.7 Ų | 35.7 | 9% | 0.085 | 20% | 0.198 | C | C | . | . | trans | -117.9 | 117.5 | -176.9 | -169 | 0 | 0 | 0 | 0 | 109.2 | V563 H567 L568 T569 L873 Y883 | V563-V565 HydrophobicContact CG2-CG2 3.86Å; V565-H567 PolarHBondContact O-N 3.12Å; V565-L568 HydrophobicContact CB-CB 4.02Å; V565-L568 HydrophobicContact CB-CD2 4.3Å; V565-L568 HydrophobicContact CG1-CB 3.98Å; V565-L568 HydrophobicContact CG1-CD2 4.01Å; V565-L568 PolarHBondContact O-N 3.06Å; V565-T569 HydrophobicContact CB-CG2 4.04Å; V565-T569 HydrophobicContact CG2-CG2 3.98Å; V565-T569 PolarHBondContact N-OG1 3.14Å; V565-T569 PolarHBondContact O-N 3.11Å; V565-T569 VanDerWaalsContact O-N 3.11Å; V565-L873 HydrophobicContact CG1-CD2 4.47Å; V565-L873 HydrophobicContact CG2-CD2 3.79Å; V565-Y883 HydrophobicContact CG2-CD1 4.16Å; V565-Y883 HydrophobicContact CG2-CD2 4.36Å; V565-Y883 HydrophobicContact CG2-CE1 3.83Å; V565-Y883 HydrophobicContact CG2-CE2 4.05Å; V565-Y883 HydrophobicContact CG2-CG 4.4Å | ||
| 566 | P | 97.1 | Very high | 91.5 | Very high | 28 Ų | 28 | 41.1 Ų | 41.1 | 18% | 0.182 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 134.4 | -180 | -28.6 | 35.1 | 0 | 0 | 0 | 112.5 | Q546 L568 W916 | Q546-P566 WeakPolarHBondContact O-CG 3.32Å; P566-L568 PolarHBondContact O-N 3.31Å; P566-L568 VanDerWaalsContact O-N 3.11Å; P566-W916 HydrophobicContact CB-CD2 4.42Å; P566-W916 HydrophobicContact CB-CE3 3.93Å; P566-W916 HydrophobicContact CB-CH2 4.33Å; P566-W916 HydrophobicContact CB-CZ3 3.86Å; P566-W916 HydrophobicContact CG-CH2 4.16Å; P566-W916 HydrophobicContact CG-CZ3 3.93Å |
| 567 | H | 95.9 | Very high | 89 | Confident | 101 Ų | 101 | 45.1 Ų | 45.1 | 47% | 0.468 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 10.1 | -179 | -49 | -80.5 | 0 | 0 | 0 | 115.9 | V565 W916 | V565-H567 PolarHBondContact O-N 3.12Å; H567-W916 PolarHBondContact CE1-O 2.85Å; H567-W916 VanDerWaalsContact N-CG 3.28Å; H567-W916 WeakPolarHBondContact ND1-CB 3.31Å |
| 568 | L | 96.9 | Very high | 86.5 | Confident | 20 Ų | 20 | 49.6 Ų | 49.6 | 11% | 0.105 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125 | -47 | -177.6 | -175.5 | 64.3 | 0 | 0 | 0 | 113.3 | V565 P566 K878 I880 Y883 P903 | V565-L568 HydrophobicContact CB-CB 4.02Å; V565-L568 HydrophobicContact CB-CD2 4.3Å; V565-L568 HydrophobicContact CG1-CB 3.98Å; V565-L568 HydrophobicContact CG1-CD2 4.01Å; V565-L568 PolarHBondContact O-N 3.06Å; P566-L568 PolarHBondContact O-N 3.31Å; P566-L568 VanDerWaalsContact O-N 3.11Å; L568-K878 WeakPolarHBondContact CD1-O 3.47Å; L568-I880 HydrophobicContact CD1-CB 3.94Å; L568-I880 HydrophobicContact CG-CB 4.18Å; L568-Y883 HydrophobicContact CD2-CD2 4Å; L568-Y883 HydrophobicContact CD2-CE2 3.65Å; L568-P903 WeakPolarHBondContact O-CD 3.06Å |
| 569 | T | 97.1 | Very high | 83.8 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -111.1 | 166.3 | -177.9 | 68.7 | 0 | 0 | 0 | 0 | 111.7 | V564 V565 P900 C901 W916 | V564-T569 WeakPolarHBondContact CA-OG1 3.4Å; V565-T569 HydrophobicContact CB-CG2 4.04Å; V565-T569 HydrophobicContact CG2-CG2 3.98Å; V565-T569 PolarHBondContact N-OG1 3.14Å; V565-T569 PolarHBondContact O-N 3.11Å; V565-T569 VanDerWaalsContact O-N 3.11Å; T569-P900 HydrophobicContact CG2-CB 3.78Å; T569-P900 HydrophobicContact CG2-CG 4.38Å; T569-C901 CarbonylContact C-O 3.56Å; T569-C901 VanDerWaalsContact CA-O 3.31Å; T569-C901 WeakPolarHBondContact CA-O 3.45Å; T569-W916 PolarHBondContact O-NE1 2.84Å |
| 570 | E | 94.9 | Very high | 81.2 | Confident | 73 Ų | 73 | 52.9 Ų | 52.9 | 34% | 0.341 | 32% | 0.319 | S | S | . | . | trans | -61.9 | 161.5 | 159.7 | 66 | -176.9 | -177.4 | 0 | 0 | 111.4 | C901 | E570-C901 VanDerWaalsContact CD-CB 3.47Å; E570-C901 HydrophobicContact CG-CB 4.04Å; E570-C901 PolarHBondContact N-O 2.84Å | ||
| 571 | S | 94.1 | Very high | 79.1 | Confident | 20 Ų | 20 | 57 Ų | 57 | 14% | 0.14 | 34% | 0.343 | C | S | . | . | trans | -87.7 | 175.9 | 169.4 | 64.5 | 0 | 0 | 0 | 0 | 110.9 | D539 G573 | D539-S571 WeakPolarHBondContact OD1-CB 3.41Å; D539-S571 VanDerWaalsContact OD2-CB 3.3Å; D539-S571 WeakPolarHBondContact OD2-CB 3.35Å; D539-S571 PolarHBondContact OD2-OG 3.19Å; S571-G573 PolarHBondContact O-N 3.22Å | ||
| 572 | Y | 93.3 | Very high | 77.6 | Confident | 63 Ų | 63 | 60.6 Ų | 60.6 | 25% | 0.247 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -59 | -35.8 | 173.3 | -178.8 | -95 | 0 | 0 | 0 | 111.3 | V532 R535 V536 D539 E551 L562 | V532-Y572 HydrophobicContact CG1-CE1 4.46Å; R535-Y572 HydrophobicContact CB-CD1 4.25Å; R535-Y572 HydrophobicContact CB-CE1 3.84Å; R535-Y572 WeakPolarHBondContact CD-OH 3.25Å; V536-Y572 HydrophobicContact CG2-CD1 4.17Å; V536-Y572 HydrophobicContact CG2-CE1 3.92Å; D539-Y572 VanDerWaalsContact CG-CB 3.44Å; D539-Y572 VanDerWaalsContact CG-N 3.33Å; D539-Y572 WeakPolarHBondContact OD1-CB 3.25Å; D539-Y572 PolarHBondContact OD1-N 2.83Å; D539-Y572 PolarHBondContact OD2-N 2.88Å; E551-Y572 HydrophobicContact CG-CD2 4.05Å; E551-Y572 HydrophobicContact CG-CE2 4.3Å; L562-Y572 HydrophobicContact CD2-CD2 3.99Å |
| 573 | G | 86.1 | Confident | 76.8 | Confident | 14 Ų | 14 | 61.9 Ų | 61.9 | 14% | 0.144 | 38% | 0.38 | C | S | . | . | trans | 84.9 | -176.9 | 170 | 0 | 0 | 0 | 0 | 0 | 113.5 | D539 S571 G575 | D539-G573 PolarHBondContact OD2-N 2.81Å; S571-G573 PolarHBondContact O-N 3.22Å; G573-G575 PolarHBondContact O-N 3.32Å | ||
| 574 | P | 78.5 | Confident | 76.1 | Confident | 115 Ų | 115 | 64.7 Ų | 64.7 | 75% | 0.747 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -63.5 | 137.6 | 177.1 | 28 | -33.3 | 0 | 0 | 0 | 109.2 | K576 | P574-K576 PolarHBondContact O-N 3.43Š|
| 575 | G | 64.1 | Low | 75.4 | Confident | 29 Ų | 29 | 68.9 Ų | 68.9 | 30% | 0.299 | 42% | 0.42 | S | S | . | . | trans | -54.9 | 117.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | V536 G573 S577 | V536-G575 VanDerWaalsContact CG2-N 3.25Å; G573-G575 PolarHBondContact O-N 3.32Å; G575-S577 PolarHBondContact O-N 2.94Å | ||
| 576 | K | 54.5 | Low | 74.7 | Confident | 203 Ų | 203 | 68.8 Ų | 68.8 | 88% | 0.883 | 42% | 0.42 | S | S | * | . | trans | -60.8 | 106.5 | 169.6 | -70 | -179.8 | -177.7 | 173.9 | 0 | 105.6 | P574 S578 | P574-K576 PolarHBondContact O-N 3.43Å; K576-S578 PolarHBondContact O-N 3.41Å | ||
| 577 | S | 42.1 | Very low | 74.2 | Confident | 90 Ų | 90 | 68.5 Ų | 68.5 | 63% | 0.629 | 42% | 0.418 | S | S | * | . | trans | -58.2 | 117.2 | -176.1 | 59.8 | 0 | 0 | 0 | 0 | 107.9 | G575 S579 | G575-S577 PolarHBondContact O-N 2.94Å; S577-S579 VanDerWaalsContact CB-OG 3.3Å; S577-S579 WeakPolarHBondContact CB-OG 3.39Å; S577-S579 PolarHBondContact O-N 2.97Å; S577-S579 PolarHBondContact OG-OG 2.67Å | ||
| 578 | S | 43.8 | Very low | 73.8 | Confident | 104 Ų | 104 | 64.3 Ų | 64.3 | 73% | 0.727 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -68.9 | 18.1 | 165.5 | 52 | 0 | 0 | 0 | 0 | 111.6 | K576 G580 N581 | K576-S578 PolarHBondContact O-N 3.41Å; S578-G580 PolarHBondContact O-N 3.39Å; S578-N581 PolarHBondContact O-N 3.05Å; S578-N581 VanDerWaalsContact O-N 3.08Å |
| 579 | S | 41.5 | Very low | 73.3 | Confident | 79 Ų | 79 | 69.4 Ų | 69.4 | 55% | 0.552 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -59.9 | -12.1 | 179.6 | 56.9 | 0 | 0 | 0 | 0 | 113.3 | S577 N581 | S577-S579 VanDerWaalsContact CB-OG 3.3Å; S577-S579 WeakPolarHBondContact CB-OG 3.39Å; S577-S579 PolarHBondContact O-N 2.97Å; S577-S579 PolarHBondContact OG-OG 2.67Å; S579-N581 PolarHBondContact O-N 3.48Å |
| 580 | G | 42.8 | Very low | 72.9 | Confident | 71 Ų | 71 | 70.2 Ų | 70.2 | 73% | 0.732 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -63.5 | -14.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | S578 | S578-G580 PolarHBondContact O-N 3.39Š|
| 581 | N | 51.4 | Low | 72.7 | Confident | 145 Ų | 145 | 67.1 Ų | 67.1 | 78% | 0.775 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -113 | 10.3 | -176.8 | -70.6 | -7.5 | 0 | 0 | 0 | 114.3 | S578 S579 I583 | S578-N581 PolarHBondContact O-N 3.05Å; S578-N581 VanDerWaalsContact O-N 3.08Å; S579-N581 PolarHBondContact O-N 3.48Å; N581-I583 PolarHBondContact O-N 2.9Å |
| 582 | A | 66.9 | Low | 72.6 | Confident | 78 Ų | 78 | 66.1 Ų | 66.1 | 65% | 0.645 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 127 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 583 | I | 79.4 | Confident | 72.2 | Confident | 51 Ų | 51 | 64 Ų | 64 | 26% | 0.262 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 128 | 178.9 | -55.3 | 163.2 | 0 | 0 | 0 | 107.9 | N581 T587 L588 Q600 | N581-I583 PolarHBondContact O-N 2.9Å; I583-T587 HydrophobicContact CG2-CG2 3.94Å; I583-L588 HydrophobicContact CB-CD1 4.28Å; I583-L588 HydrophobicContact CB-CD2 4.06Å; I583-L588 HydrophobicContact CB-CG 4.05Å; I583-L588 HydrophobicContact CD1-CD2 3.96Å; I583-L588 HydrophobicContact CG2-CD1 4.44Å; I583-L588 HydrophobicContact CG2-CD2 3.68Å; I583-L588 HydrophobicContact CG2-CG 3.68Å; I583-Q600 HydrophobicContact CD1-CB 4.17Å; I583-Q600 HydrophobicContact CD1-CG 4.41Å |
| 584 | P | 82.5 | Confident | 72.2 | Confident | 59 Ų | 59 | 67.3 Ų | 67.3 | 38% | 0.383 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -55 | 141 | 176.9 | -25.9 | 34.4 | 0 | 0 | 0 | 112.2 | C586 T587 L588 D770 | P584-C586 VanDerWaalsContact C-N 3.27Å; P584-C586 PolarHBondContact O-N 2.87Å; P584-T587 WeakPolarHBondContact O-CB 3.43Å; P584-T587 PolarHBondContact O-N 3.38Å; P584-L588 PolarHBondContact O-N 3.04Å; P584-L588 VanDerWaalsContact O-N 3.09Å; P584-D770 VanDerWaalsContact CA-OD2 3.28Å; P584-D770 WeakPolarHBondContact CA-OD2 3.44Å; P584-D770 WeakPolarHBondContact CB-OD2 3.3Å |
| 585 | L | 83.1 | Confident | 72.7 | Confident | 88 Ų | 88 | 62.6 Ų | 62.6 | 46% | 0.461 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.7 | -36.4 | -178.1 | -71.2 | 172.6 | 0 | 0 | 0 | 111.5 | T587 L588 K589 D770 M773 | L585-T587 VanDerWaalsContact C-N 3.29Å; L585-T587 PolarHBondContact O-N 3.26Å; L585-L588 PolarHBondContact O-N 2.94Å; L585-K589 WeakPolarHBondContact O-CB 3.48Å; L585-K589 PolarHBondContact O-N 3.27Å; L585-D770 PolarHBondContact N-OD1 3.15Å; L585-D770 PolarHBondContact N-OD2 3.2Å; L585-M773 HydrophobicContact CB-SD 4.43Å |
| 586 | C | 83.6 | Confident | 73.9 | Confident | 13 Ų | 13 | 63.6 Ų | 63.6 | 9% | 0.088 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.7 | -35.8 | 175.4 | 71.3 | 0 | 0 | 0 | 0 | 112.3 | P584 N590 F591 L768 D770 | P584-C586 VanDerWaalsContact C-N 3.27Å; P584-C586 PolarHBondContact O-N 2.87Å; C586-N590 PolarHBondContact O-N 3.01Å; C586-F591 PolarHBondContact O-N 2.89Å; C586-L768 PolarHBondContact SG-O 3.46Å; C586-L768 VanDerWaalsContact SG-O 3.38Å; C586-D770 PolarHBondContact N-OD1 2.97Å |
| 587 | T | 85.9 | Confident | 75.7 | Confident | 22 Ų | 22 | 54.8 Ų | 54.8 | 14% | 0.135 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.8 | -46 | 175.5 | -58.6 | 0 | 0 | 0 | 0 | 111.1 | I583 P584 L585 F591 P592 H597 | I583-T587 HydrophobicContact CG2-CG2 3.94Å; P584-T587 WeakPolarHBondContact O-CB 3.43Å; P584-T587 PolarHBondContact O-N 3.38Å; L585-T587 VanDerWaalsContact C-N 3.29Å; L585-T587 PolarHBondContact O-N 3.26Å; T587-F591 WeakPolarHBondContact CG2-O 3.26Å; T587-F591 CarbonylContact O-C 3.57Å; T587-F591 PolarHBondContact O-N 3.4Å; T587-P592 VanDerWaalsContact O-N 3.07Å; T587-H597 VanDerWaalsContact CG2-ND1 3.31Å; T587-H597 WeakPolarHBondContact CG2-ND1 3.23Å |
| 588 | L | 87.7 | Confident | 78.2 | Confident | 13 Ų | 13 | 50.5 Ų | 50.5 | 7% | 0.068 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 176.5 | -67.9 | 176.8 | 0 | 0 | 0 | 111.9 | I583 P584 L585 H597 Q600 R830 | I583-L588 HydrophobicContact CB-CD1 4.28Å; I583-L588 HydrophobicContact CB-CD2 4.06Å; I583-L588 HydrophobicContact CB-CG 4.05Å; I583-L588 HydrophobicContact CD1-CD2 3.96Å; I583-L588 HydrophobicContact CG2-CD1 4.44Å; I583-L588 HydrophobicContact CG2-CD2 3.68Å; I583-L588 HydrophobicContact CG2-CG 3.68Å; P584-L588 PolarHBondContact O-N 3.04Å; P584-L588 VanDerWaalsContact O-N 3.09Å; L585-L588 PolarHBondContact O-N 2.94Å; L588-H597 HydrophobicContact CD2-CB 4.26Å; L588-H597 VanDerWaalsContact CD2-O 3.31Å; L588-H597 WeakPolarHBondContact CD2-O 3.35Å; L588-Q600 HydrophobicContact CD1-CG 4.04Å; L588-Q600 HydrophobicContact CD2-CB 3.86Å; L588-Q600 HydrophobicContact CD2-CG 4.02Å; L588-R830 PolarHBondContact O-NH2 3.27Å |
| 589 | K | 86.1 | Confident | 80.7 | Confident | 126 Ų | 126 | 45.6 Ų | 45.6 | 55% | 0.548 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -78.4 | -38.6 | -172.4 | -168 | 174.4 | 179.4 | 175.4 | 0 | 113.8 | L585 R830 | L585-K589 WeakPolarHBondContact O-CB 3.48Å; L585-K589 PolarHBondContact O-N 3.27Å; K589-R830 PolarHBondContact O-NH2 2.94Å |
| 590 | N | 88.5 | Confident | 83.1 | Confident | 19 Ų | 19 | 43.7 Ų | 43.7 | 10% | 0.102 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131.6 | -28.6 | -168.9 | -55.8 | -49.2 | 0 | 0 | 0 | 115 | C586 P592 L684 I766 Y834 | C586-N590 PolarHBondContact O-N 3.01Å; N590-P592 VanDerWaalsContact C-CD 3.45Å; N590-L684 HydrophobicContact CB-CD1 4.48Å; N590-I766 HydrophobicContact CB-CG2 4.36Å; N590-I766 WeakPolarHBondContact ND2-CG2 3.39Å; N590-Y834 WeakPolarHBondContact O-CE1 3.49Å; N590-Y834 PolarHBondContact O-OH 2.69Å |
| 591 | F | 90.6 | Very high | 85.6 | Confident | 7 Ų | 7 | 41 Ų | 41 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | trans | -130.9 | 54.7 | -169.4 | -49.7 | -65.2 | 0 | 0 | 0 | 113.8 | C586 T587 H593 L684 F688 F700 W701 K705 L768 | C586-F591 PolarHBondContact O-N 2.89Å; T587-F591 WeakPolarHBondContact CG2-O 3.26Å; T587-F591 CarbonylContact O-C 3.57Å; T587-F591 PolarHBondContact O-N 3.4Å; F591-H593 PolarHBondContact O-ND1 2.86Å; F591-L684 HydrophobicContact CE1-CD1 4.27Å; F591-F688 HydrophobicContact CZ-CE2 4.33Å; F591-F700 HydrophobicContact CE1-CE1 4.09Å; F591-F700 HydrophobicContact CE1-CZ 4.06Å; F591-F700 HydrophobicContact CZ-CZ 4.08Å; F591-W701 HydrophobicContact CD1-CH2 4.34Å; F591-W701 AromaticContact CD1-CZ3 3.88Å; F591-W701 HydrophobicContact CD1-CZ3 3.88Å; F591-W701 AromaticContact CE1-CH2 3.98Å; F591-W701 HydrophobicContact CE1-CH2 3.98Å; F591-W701 AromaticContact CE1-CZ3 3.93Å; F591-W701 HydrophobicContact CE1-CZ3 3.93Å; F591-K705 HydrophobicContact CB-CG 4.47Å; F591-K705 HydrophobicContact CD1-CG 4.39Å; F591-K705 HydrophobicContact CG-CG 4.42Å; F591-L768 HydrophobicContact CE2-CD2 3.94Å; F591-L768 HydrophobicContact CZ-CD2 3.73Å | ||
| 592 | P | 91.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -67.6 | 144 | 173 | 31.9 | -36.2 | 0 | 0 | 0 | 110.1 | T587 N590 H597 T598 Y834 I836 | T587-P592 VanDerWaalsContact O-N 3.07Å; N590-P592 VanDerWaalsContact C-CD 3.45Å; P592-H597 HydrophobicContact CB-CB 3.81Å; P592-T598 HydrophobicContact CB-CG2 3.9Å; P592-T598 HydrophobicContact CG-CG2 4.29Å; P592-Y834 HydrophobicContact CG-CD1 3.95Å; P592-Y834 HydrophobicContact CG-CD2 3.61Å; P592-Y834 HydrophobicContact CG-CE1 3.99Å; P592-Y834 HydrophobicContact CG-CE2 3.66Å; P592-Y834 HydrophobicContact CG-CG 3.77Å; P592-I836 HydrophobicContact CB-CD1 4.05Å; P592-I836 HydrophobicContact CG-CD1 4.43Å | ||
| 593 | H | 84.8 | Confident | 89 | Confident | 19 Ų | 19 | 32.5 Ų | 32.5 | 9% | 0.088 | 16% | 0.156 | C | C | . | . | trans | -139.8 | 2.8 | 175.1 | 54.9 | -88.5 | 0 | 0 | 0 | 112.3 | F591 H597 S704 R706 | F591-H593 PolarHBondContact O-ND1 2.86Å; H593-H597 AromaticContact CE1-CE1 3.31Å; H593-H597 PolarHBondContact CE1-CE1 3.09Å; H593-H597 AromaticContact CE1-ND1 3.78Å; H593-H597 AromaticContact ND1-CE1 3.75Å; H593-H597 AromaticContact ND1-ND1 3.76Å; H593-H597 AromaticContact NE2-CE1 3.44Å; H593-H597 PolarHBondContact NE2-CE1 3.46Å; H593-S704 WeakPolarHBondContact CB-O 3.36Å; H593-S704 PolarHBondContact ND1-O 2.96Å; H593-R706 HydrophobicContact CB-CG 4.01Å | ||
| 594 | R | 86.8 | Confident | 89.7 | Confident | 83 Ų | 83 | 33.4 Ų | 33.4 | 31% | 0.313 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -139.1 | 151.3 | 180 | -72 | -179.2 | 64.3 | 155.8 | 4.2 | 110 | E596 H597 | R594-E596 WeakPolarHBondContact CB-OE2 3.41Å; R594-E596 IonicContact CZ-OE1 3.65Å; R594-E596 IonicContact CZ-OE2 2.79Å; R594-E596 IonicContact NE-OE1 3.11Å; R594-E596 IonicContact NE-OE2 3.46Å; R594-E596 PolarHBondContact NE-OE2 2.99Å; R594-E596 VanDerWaalsContact NE-OE2 3.1Å; R594-E596 IonicContact NH2-OE1 2.74Å; R594-E596 PolarHBondContact NH2-OE1 3.38Å; R594-E596 IonicContact NH2-OE2 3.14Å; R594-E596 PolarHBondContact O-N 3.07Å; R594-H597 WeakPolarHBondContact O-CB 3.42Å; R594-H597 PolarHBondContact O-N 2.9Å |
| 595 | I | 89.3 | Confident | 90.3 | Very high | 15 Ų | 15 | 32.9 Ų | 32.9 | 8% | 0.077 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.5 | -28.2 | -179.2 | -163.4 | 55.3 | 0 | 0 | 0 | 112.2 | H597 T598 L599 A831 I836 A839 | I595-H597 PolarHBondContact O-N 3.13Å; I595-T598 WeakPolarHBondContact CD1-OG1 3.39Å; I595-T598 PolarHBondContact O-N 3.28Å; I595-T598 PolarHBondContact O-OG1 3.46Å; I595-L599 HydrophobicContact CG1-CD1 4.09Å; I595-L599 HydrophobicContact CG1-CG 4.5Å; I595-L599 WeakPolarHBondContact O-CB 3.4Å; I595-L599 WeakPolarHBondContact O-CD1 3.42Å; I595-L599 VanDerWaalsContact O-CG 3.27Å; I595-L599 WeakPolarHBondContact O-CG 3.26Å; I595-L599 PolarHBondContact O-N 2.97Å; I595-A831 HydrophobicContact CD1-CB 3.97Å; I595-I836 HydrophobicContact CB-CG2 4.29Å; I595-A839 HydrophobicContact CD1-CB 4.02Å; I595-A839 HydrophobicContact CG1-CB 3.45Å; I595-A839 VanDerWaalsContact CG1-CB 3.45Å |
| 596 | E | 89.8 | Confident | 90.9 | Very high | 51 Ų | 51 | 28.7 Ų | 28.7 | 24% | 0.238 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.8 | -34.3 | 173.5 | -62.6 | 88.4 | 158.9 | 0 | 0 | 112.1 | R594 Q600 I847 | R594-E596 WeakPolarHBondContact CB-OE2 3.41Å; R594-E596 IonicContact CZ-OE1 3.65Å; R594-E596 IonicContact CZ-OE2 2.79Å; R594-E596 IonicContact NE-OE1 3.11Å; R594-E596 IonicContact NE-OE2 3.46Å; R594-E596 PolarHBondContact NE-OE2 2.99Å; R594-E596 VanDerWaalsContact NE-OE2 3.1Å; R594-E596 IonicContact NH2-OE1 2.74Å; R594-E596 PolarHBondContact NH2-OE1 3.38Å; R594-E596 IonicContact NH2-OE2 3.14Å; R594-E596 PolarHBondContact O-N 3.07Å; E596-Q600 WeakPolarHBondContact O-CB 3.46Å; E596-Q600 PolarHBondContact O-N 2.95Å; E596-I847 HydrophobicContact CB-CG2 4.37Å; E596-I847 HydrophobicContact CG-CD1 4.13Å; E596-I847 HydrophobicContact CG-CG2 4.22Å |
| 597 | H | 92.1 | Very high | 91.4 | Very high | 18 Ų | 18 | 29.9 Ų | 29.9 | 8% | 0.083 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -71.4 | -42.5 | -179 | -55.8 | 170.6 | 0 | 0 | 0 | 110.7 | T587 L588 P592 H593 R594 I595 W601 | T587-H597 VanDerWaalsContact CG2-ND1 3.31Å; T587-H597 WeakPolarHBondContact CG2-ND1 3.23Å; L588-H597 HydrophobicContact CD2-CB 4.26Å; L588-H597 VanDerWaalsContact CD2-O 3.31Å; L588-H597 WeakPolarHBondContact CD2-O 3.35Å; P592-H597 HydrophobicContact CB-CB 3.81Å; H593-H597 AromaticContact CE1-CE1 3.31Å; H593-H597 PolarHBondContact CE1-CE1 3.09Å; H593-H597 AromaticContact CE1-ND1 3.78Å; H593-H597 AromaticContact ND1-CE1 3.75Å; H593-H597 AromaticContact ND1-ND1 3.76Å; H593-H597 AromaticContact NE2-CE1 3.44Å; H593-H597 PolarHBondContact NE2-CE1 3.46Å; R594-H597 WeakPolarHBondContact O-CB 3.42Å; R594-H597 PolarHBondContact O-N 2.9Å; I595-H597 PolarHBondContact O-N 3.13Å; H597-W601 VanDerWaalsContact O-CB 3.3Å; H597-W601 WeakPolarHBondContact O-CB 3.32Å; H597-W601 PolarHBondContact O-N 3.38Å |
| 598 | T | 95.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -71.4 | -33 | 178 | 58.8 | 0 | 0 | 0 | 0 | 111.9 | P592 I595 A602 S827 R830 A831 I836 | P592-T598 HydrophobicContact CB-CG2 3.9Å; P592-T598 HydrophobicContact CG-CG2 4.29Å; I595-T598 WeakPolarHBondContact CD1-OG1 3.39Å; I595-T598 PolarHBondContact O-N 3.28Å; I595-T598 PolarHBondContact O-OG1 3.46Å; T598-A602 WeakPolarHBondContact O-CB 3.43Å; T598-A602 PolarHBondContact O-N 3.46Å; T598-S827 WeakPolarHBondContact CB-OG 3.39Å; T598-S827 PolarHBondContact OG1-OG 2.8Å; T598-R830 HydrophobicContact CG2-CB 4.09Å; T598-R830 HydrophobicContact CG2-CG 3.93Å; T598-A831 HydrophobicContact CG2-CB 4.49Å; T598-I836 HydrophobicContact CG2-CD1 3.99Å |
| 599 | L | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -70.1 | -44.5 | 175.3 | -75.2 | 166.5 | 0 | 0 | 0 | 112.8 | I595 W601 A602 R603 I823 S827 S844 I847 | I595-L599 HydrophobicContact CG1-CD1 4.09Å; I595-L599 HydrophobicContact CG1-CG 4.5Å; I595-L599 WeakPolarHBondContact O-CB 3.4Å; I595-L599 WeakPolarHBondContact O-CD1 3.42Å; I595-L599 VanDerWaalsContact O-CG 3.27Å; I595-L599 WeakPolarHBondContact O-CG 3.26Å; I595-L599 PolarHBondContact O-N 2.97Å; L599-W601 VanDerWaalsContact C-N 3.34Å; L599-A602 PolarHBondContact O-N 2.82Å; L599-R603 WeakPolarHBondContact O-CB 3.29Å; L599-R603 PolarHBondContact O-N 3.13Å; L599-I823 HydrophobicContact CD2-CG2 3.98Å; L599-S827 WeakPolarHBondContact CD2-OG 3.11Å; L599-S827 WeakPolarHBondContact CG-OG 3.17Å; L599-S827 PolarHBondContact N-OG 2.95Å; L599-S844 WeakPolarHBondContact CD2-OG 3.43Å; L599-I847 HydrophobicContact CB-CG2 4.13Å; L599-I847 HydrophobicContact CD1-CB 3.88Å; L599-I847 HydrophobicContact CD1-CD1 3.62Å; L599-I847 HydrophobicContact CD1-CG1 4.35Å; L599-I847 HydrophobicContact CD1-CG2 3.97Å |
| 600 | Q | 92.3 | Very high | 92.5 | Very high | 39 Ų | 39 | 24.6 Ų | 24.6 | 18% | 0.182 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.6 | -42.5 | 174.3 | -176.7 | 61.1 | 64.2 | 0 | 0 | 110.4 | I583 L588 E596 A602 R603 D604 | I583-Q600 HydrophobicContact CD1-CB 4.17Å; I583-Q600 HydrophobicContact CD1-CG 4.41Å; L588-Q600 HydrophobicContact CD1-CG 4.04Å; L588-Q600 HydrophobicContact CD2-CB 3.86Å; L588-Q600 HydrophobicContact CD2-CG 4.02Å; E596-Q600 WeakPolarHBondContact O-CB 3.46Å; E596-Q600 PolarHBondContact O-N 2.95Å; Q600-A602 PolarHBondContact O-N 3.23Å; Q600-R603 PolarHBondContact O-N 3.27Å; Q600-D604 PolarHBondContact NE2-OD1 3.35Å; Q600-D604 PolarHBondContact O-N 3.32Å |
| 601 | W | 95.3 | Very high | 92.8 | Very high | 16 Ų | 16 | 25.7 Ų | 25.7 | 6% | 0.061 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -57.1 | -45.9 | 172.3 | 172.7 | 90.5 | 0 | 0 | 0 | 112.2 | H597 L599 R603 D604 Q605 Q676 Y677 A826 R830 | H597-W601 VanDerWaalsContact O-CB 3.3Å; H597-W601 WeakPolarHBondContact O-CB 3.32Å; H597-W601 PolarHBondContact O-N 3.38Å; L599-W601 VanDerWaalsContact C-N 3.34Å; W601-R603 VanDerWaalsContact C-N 3.32Å; W601-R603 PolarHBondContact O-N 2.91Å; W601-D604 PolarHBondContact O-N 3.07Å; W601-Q605 HydrophobicContact CD2-CG 3.96Å; W601-Q605 HydrophobicContact CE3-CG 4.24Å; W601-Q605 HydrophobicContact CH2-CG 3.93Å; W601-Q605 HydrophobicContact CZ2-CG 3.62Å; W601-Q605 HydrophobicContact CZ3-CG 4.22Å; W601-Q605 WeakPolarHBondContact O-CG 3.1Å; W601-Q605 PolarHBondContact O-N 3.26Å; W601-Q676 HydrophobicContact CH2-CB 4.49Å; W601-Q676 HydrophobicContact CZ2-CG 4.45Å; W601-Y677 HydrophobicContact CH2-CE1 4.02Å; W601-Y677 HydrophobicContact CZ3-CE1 4.27Å; W601-A826 HydrophobicContact CZ3-CB 4.32Å; W601-R830 HydrophobicContact CE3-CB 4.36Å; W601-R830 HydrophobicContact CE3-CG 4.48Å; W601-R830 HydrophobicContact CZ3-CB 4.24Å |
| 602 | A | 96.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.5 | -37.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T598 L599 Q600 Q605 F606 I823 A826 | T598-A602 WeakPolarHBondContact O-CB 3.43Å; T598-A602 PolarHBondContact O-N 3.46Å; L599-A602 PolarHBondContact O-N 2.82Å; Q600-A602 PolarHBondContact O-N 3.23Å; A602-Q605 PolarHBondContact O-N 3.34Å; A602-F606 PolarHBondContact O-N 2.89Å; A602-I823 HydrophobicContact CB-CG2 4.26Å; A602-A826 HydrophobicContact CB-CB 4.04Å |
| 603 | R | 94.1 | Very high | 93 | Very high | 43 Ų | 43 | 32 Ų | 32 | 16% | 0.162 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.5 | -40.2 | 174.6 | -176.3 | 65.9 | -172.4 | 85.1 | 4.1 | 112.1 | L599 Q600 W601 F606 E607 F810 I823 | L599-R603 WeakPolarHBondContact O-CB 3.29Å; L599-R603 PolarHBondContact O-N 3.13Å; Q600-R603 PolarHBondContact O-N 3.27Å; W601-R603 VanDerWaalsContact C-N 3.32Å; W601-R603 PolarHBondContact O-N 2.91Å; R603-F606 WeakPolarHBondContact O-CB 3.45Å; R603-F606 PolarHBondContact O-N 3.3Å; R603-E607 IonicContact CZ-OE2 2.65Å; R603-E607 VanDerWaalsContact CZ-OE2 3.27Å; R603-E607 IonicContact NH1-OE2 3.99Å; R603-E607 PolarHBondContact NH1-OE2 3.27Å; R603-E607 IonicContact NH2-OE2 2.77Å; R603-E607 PolarHBondContact NH2-OE2 2.79Å; R603-E607 PolarHBondContact O-N 3.32Å; R603-F810 VanDerWaalsContact CZ-CB 3.43Å; R603-F810 VanDerWaalsContact CZ-CG 3.43Å; R603-F810 VanDerWaalsContact NE-CD1 3.32Å; R603-I823 HydrophobicContact CB-CD1 4.47Å |
| 604 | D | 92.8 | Very high | 93.4 | Very high | 71 Ų | 71 | 31 Ų | 31 | 38% | 0.38 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -67.1 | -39.5 | 176 | -63.1 | -14.5 | 0 | 0 | 0 | 111 | Q600 W601 E607 G608 | Q600-D604 PolarHBondContact NE2-OD1 3.35Å; Q600-D604 PolarHBondContact O-N 3.32Å; W601-D604 PolarHBondContact O-N 3.07Å; D604-E607 PolarHBondContact O-N 2.87Å; D604-G608 PolarHBondContact O-N 3.29Å |
| 605 | Q | 95.2 | Very high | 93.7 | Very high | 48 Ų | 48 | 30.5 Ų | 30.5 | 22% | 0.224 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.9 | -42.8 | 172.6 | -69 | -55.6 | -70.8 | 0 | 0 | 111.7 | W601 A602 L609 Y822 | W601-Q605 HydrophobicContact CD2-CG 3.96Å; W601-Q605 HydrophobicContact CE3-CG 4.24Å; W601-Q605 HydrophobicContact CH2-CG 3.93Å; W601-Q605 HydrophobicContact CZ2-CG 3.62Å; W601-Q605 HydrophobicContact CZ3-CG 4.22Å; W601-Q605 WeakPolarHBondContact O-CG 3.1Å; W601-Q605 PolarHBondContact O-N 3.26Å; A602-Q605 PolarHBondContact O-N 3.34Å; Q605-L609 VanDerWaalsContact O-CB 3.27Å; Q605-L609 WeakPolarHBondContact O-CB 3.44Å; Q605-L609 WeakPolarHBondContact O-CD1 3.36Å; Q605-L609 WeakPolarHBondContact O-CG 3.37Å; Q605-L609 PolarHBondContact O-N 3.33Å; Q605-Y822 HydrophobicContact CB-CE1 4.5Å |
| 606 | F | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.3 | -50.2 | 175.9 | 179.2 | -80.9 | 0 | 0 | 0 | 111 | A602 R603 G608 L609 F610 L730 I808 F810 H819 Y822 | A602-F606 PolarHBondContact O-N 2.89Å; R603-F606 WeakPolarHBondContact O-CB 3.45Å; R603-F606 PolarHBondContact O-N 3.3Å; F606-G608 PolarHBondContact O-N 2.98Å; F606-L609 PolarHBondContact O-N 3.41Å; F606-F610 HydrophobicContact CB-CD2 4.29Å; F606-F610 AromaticContact CD2-CD2 3.53Å; F606-F610 HydrophobicContact CD2-CD2 3.53Å; F606-F610 AromaticContact CD2-CE2 3.99Å; F606-F610 HydrophobicContact CD2-CE2 3.99Å; F606-F610 AromaticContact CE2-CD2 3.91Å; F606-F610 HydrophobicContact CE2-CD2 3.91Å; F606-F610 AromaticContact CG-CD2 3.89Å; F606-F610 HydrophobicContact CG-CD2 3.89Å; F606-F610 WeakPolarHBondContact O-CB 3Å; F606-F610 WeakPolarHBondContact O-CD2 3.33Å; F606-F610 PolarHBondContact O-N 3.34Å; F606-L730 HydrophobicContact CD2-CD1 4.05Å; F606-L730 HydrophobicContact CE2-CD1 3.74Å; F606-L730 HydrophobicContact CE2-CD2 4.15Å; F606-I808 HydrophobicContact CE1-CG2 4.46Å; F606-I808 HydrophobicContact CZ-CG2 3.83Å; F606-F810 HydrophobicContact CD1-CB 4.29Å; F606-F810 HydrophobicContact CD1-CD2 4.24Å; F606-F810 HydrophobicContact CE1-CB 3.75Å; F606-F810 AromaticContact CE1-CD2 3.96Å; F606-F810 HydrophobicContact CE1-CD2 3.96Å; F606-F810 HydrophobicContact CE1-CG 4.34Å; F606-F810 HydrophobicContact CZ-CB 4.49Å; F606-F810 HydrophobicContact CZ-CD2 4.19Å; F606-H819 HydrophobicContact CE2-CB 3.97Å; F606-H819 AromaticContact CE2-CD2 3.75Å; F606-H819 AromaticContact CE2-CG 3.88Å; F606-H819 HydrophobicContact CZ-CB 4.13Å; F606-H819 AromaticContact CZ-CD2 3.61Å; F606-H819 AromaticContact CZ-CG 3.67Å; F606-Y822 HydrophobicContact CB-CD1 3.99Å; F606-Y822 HydrophobicContact CB-CE1 3.85Å; F606-Y822 AromaticContact CD2-CD1 3.81Å; F606-Y822 HydrophobicContact CD2-CD1 3.81Å; F606-Y822 HydrophobicContact CD2-CE1 4.39Å; F606-Y822 HydrophobicContact CD2-CG 4.47Å; F606-Y822 HydrophobicContact CG-CD1 4.41Å |
| 607 | E | 93.6 | Very high | 93.9 | Very high | 37 Ų | 37 | 29.4 Ų | 29.4 | 17% | 0.173 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.1 | -46.3 | -177.8 | -164.6 | 72.3 | -168.6 | 0 | 0 | 111.8 | R603 D604 K611 Q612 | R603-E607 IonicContact CZ-OE2 2.65Å; R603-E607 VanDerWaalsContact CZ-OE2 3.27Å; R603-E607 IonicContact NH1-OE2 3.99Å; R603-E607 PolarHBondContact NH1-OE2 3.27Å; R603-E607 IonicContact NH2-OE2 2.77Å; R603-E607 PolarHBondContact NH2-OE2 2.79Å; R603-E607 PolarHBondContact O-N 3.32Å; D604-E607 PolarHBondContact O-N 2.87Å; E607-K611 WeakPolarHBondContact O-CB 3.43Å; E607-K611 PolarHBondContact O-N 2.75Å; E607-K611 VanDerWaalsContact O-N 3.13Å; E607-K611 WeakPolarHBondContact OE1-CD 3.26Å; E607-K611 VanDerWaalsContact OE1-CE 3.26Å; E607-K611 WeakPolarHBondContact OE1-CE 3.46Å; E607-K611 IonicContact OE1-NZ 2.77Å; E607-Q612 HydrophobicContact CG-CG 4.3Å; E607-Q612 PolarHBondContact O-N 3.2Å |
| 608 | G | 92.7 | Very high | 93.8 | Very high | 20 Ų | 20 | 29.3 Ų | 29.3 | 21% | 0.206 | 15% | 0.147 | C | C | . | . | I | π-helix | trans | -64.7 | -44.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D604 F606 T613 | D604-G608 PolarHBondContact O-N 3.29Å; F606-G608 PolarHBondContact O-N 2.98Å; G608-T613 WeakPolarHBondContact O-CB 3.29Å; G608-T613 PolarHBondContact O-N 3.47Å; G608-T613 PolarHBondContact O-OG1 3.31Å |
| 609 | L | 94.3 | Very high | 93.6 | Very high | 31 Ų | 31 | 33.2 Ų | 33.2 | 16% | 0.162 | 17% | 0.167 | C | C | . | . | I | π-helix | trans | -77 | -44.2 | -175.1 | -67.1 | 171.9 | 0 | 0 | 0 | 112.8 | Q605 F606 W668 | Q605-L609 VanDerWaalsContact O-CB 3.27Å; Q605-L609 WeakPolarHBondContact O-CB 3.44Å; Q605-L609 WeakPolarHBondContact O-CD1 3.36Å; Q605-L609 WeakPolarHBondContact O-CG 3.37Å; Q605-L609 PolarHBondContact O-N 3.33Å; F606-L609 PolarHBondContact O-N 3.41Å; L609-W668 HydrophobicContact CD1-CH2 4.28Å; L609-W668 HydrophobicContact CD2-CZ2 4.3Å |
| 610 | F | 96.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | I | π-helix | trans | -106.7 | -9.8 | -166.2 | -51.7 | -58.6 | 0 | 0 | 0 | 114.3 | F606 P614 W668 L730 Y731 I734 I808 Y822 | F606-F610 HydrophobicContact CB-CD2 4.29Å; F606-F610 AromaticContact CD2-CD2 3.53Å; F606-F610 HydrophobicContact CD2-CD2 3.53Å; F606-F610 AromaticContact CD2-CE2 3.99Å; F606-F610 HydrophobicContact CD2-CE2 3.99Å; F606-F610 AromaticContact CE2-CD2 3.91Å; F606-F610 HydrophobicContact CE2-CD2 3.91Å; F606-F610 AromaticContact CG-CD2 3.89Å; F606-F610 HydrophobicContact CG-CD2 3.89Å; F606-F610 WeakPolarHBondContact O-CB 3Å; F606-F610 WeakPolarHBondContact O-CD2 3.33Å; F606-F610 PolarHBondContact O-N 3.34Å; F610-P614 WeakPolarHBondContact O-CG 3.45Å; F610-W668 HydrophobicContact CE1-CH2 4.05Å; F610-W668 HydrophobicContact CE1-CZ3 4.39Å; F610-W668 HydrophobicContact CZ-CH2 4.2Å; F610-L730 HydrophobicContact CD1-CB 3.75Å; F610-L730 HydrophobicContact CD2-CB 4.23Å; F610-L730 HydrophobicContact CD2-CD1 4Å; F610-L730 HydrophobicContact CE1-CB 3.56Å; F610-L730 HydrophobicContact CE2-CB 4.07Å; F610-L730 HydrophobicContact CE2-CD1 3.66Å; F610-L730 HydrophobicContact CG-CB 4.09Å; F610-L730 HydrophobicContact CZ-CB 3.73Å; F610-L730 HydrophobicContact CZ-CD1 4.01Å; F610-Y731 HydrophobicContact CE1-CD2 4.45Å; F610-I734 HydrophobicContact CB-CG2 4.24Å; F610-I734 HydrophobicContact CD1-CD1 4.45Å; F610-I734 HydrophobicContact CD1-CG2 4.38Å; F610-I808 HydrophobicContact CB-CB 4.29Å; F610-I808 HydrophobicContact CB-CD1 4.26Å; F610-I808 PolarHBondContact O-N 2.94Å; F610-Y822 HydrophobicContact CE2-CD1 4.13Å; F610-Y822 HydrophobicContact CE2-CD2 4.13Å; F610-Y822 AromaticContact CE2-CE1 3.95Å; F610-Y822 HydrophobicContact CE2-CE1 3.95Å; F610-Y822 AromaticContact CE2-CE2 3.94Å; F610-Y822 HydrophobicContact CE2-CE2 3.94Å; F610-Y822 HydrophobicContact CE2-CG 4.21Å; F610-Y822 AromaticContact CE2-CZ 3.85Å; F610-Y822 HydrophobicContact CZ-CD2 4.36Å; F610-Y822 HydrophobicContact CZ-CE2 4.09Å |
| 611 | K | 94.8 | Very high | 93.1 | Very high | 41 Ų | 41 | 34 Ų | 34 | 18% | 0.178 | 17% | 0.172 | C | C | . | . | I | π-helix | trans | -121.6 | -63.3 | 177.5 | 176.9 | 156.1 | 159.5 | 176.8 | 0 | 113.4 | E607 T613 P614 E615 D809 | E607-K611 WeakPolarHBondContact O-CB 3.43Å; E607-K611 PolarHBondContact O-N 2.75Å; E607-K611 VanDerWaalsContact O-N 3.13Å; E607-K611 WeakPolarHBondContact OE1-CD 3.26Å; E607-K611 VanDerWaalsContact OE1-CE 3.26Å; E607-K611 WeakPolarHBondContact OE1-CE 3.46Å; E607-K611 IonicContact OE1-NZ 2.77Å; K611-T613 PolarHBondContact O-N 3.4Å; K611-P614 VanDerWaalsContact O-CD 3.24Å; K611-P614 WeakPolarHBondContact O-CD 3.44Å; K611-E615 VanDerWaalsContact CE-OE1 3.23Å; K611-E615 WeakPolarHBondContact CE-OE1 3.09Å; K611-E615 HydrophobicContact CG-CG 4.42Å; K611-E615 WeakPolarHBondContact O-CB 3.4Å; K611-E615 WeakPolarHBondContact O-CG 3.45Å; K611-E615 PolarHBondContact O-N 3.01Å; K611-D809 WeakPolarHBondContact CE-OD1 3.4Å; K611-D809 IonicContact NZ-OD1 3.06Å; K611-D809 PolarHBondContact NZ-OD1 3.14Å |
| 612 | Q | 92.7 | Very high | 92.7 | Very high | 100 Ų | 100 | 41.7 Ų | 41.7 | 47% | 0.467 | 20% | 0.201 | S | C | . | . | I | π-helix | trans | -62.6 | -41.7 | -174.2 | -67.5 | 177.2 | -6.7 | 0 | 0 | 112.1 | E607 E615 N616 | E607-Q612 HydrophobicContact CG-CG 4.3Å; E607-Q612 PolarHBondContact O-N 3.2Å; Q612-E615 PolarHBondContact O-N 3.07Å; Q612-N616 WeakPolarHBondContact O-CB 3.49Å; Q612-N616 VanDerWaalsContact O-CG 3.24Å; Q612-N616 PolarHBondContact O-N 2.9Å; Q612-N616 PolarHBondContact O-ND2 2.98Å |
| 613 | T | 92.6 | Very high | 92.2 | Very high | 39 Ų | 39 | 43.3 Ų | 43.3 | 24% | 0.239 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.1 | -54.3 | 177.9 | -64.3 | 0 | 0 | 0 | 0 | 111.8 | G608 K611 E615 N616 V617 S648 | G608-T613 WeakPolarHBondContact O-CB 3.29Å; G608-T613 PolarHBondContact O-N 3.47Å; G608-T613 PolarHBondContact O-OG1 3.31Å; K611-T613 PolarHBondContact O-N 3.4Å; T613-E615 PolarHBondContact O-N 2.78Å; T613-N616 PolarHBondContact O-N 3.09Å; T613-V617 WeakPolarHBondContact O-CG2 3.05Å; T613-V617 PolarHBondContact O-N 3.19Å; T613-V617 VanDerWaalsContact O-N 3.08Å; T613-S648 VanDerWaalsContact CG2-OG 3.3Å; T613-S648 WeakPolarHBondContact CG2-OG 3.15Å |
| 614 | P | 93.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.1 | -39.9 | 172.8 | -23.5 | 27.5 | 0 | 0 | 0 | 114.9 | F610 K611 V617 N618 I734 M805 P807 | F610-P614 WeakPolarHBondContact O-CG 3.45Å; K611-P614 VanDerWaalsContact O-CD 3.24Å; K611-P614 WeakPolarHBondContact O-CD 3.44Å; P614-V617 PolarHBondContact O-N 3.34Å; P614-N618 WeakPolarHBondContact O-CB 3.3Å; P614-N618 VanDerWaalsContact O-CG 3.23Å; P614-N618 PolarHBondContact O-N 3.28Å; P614-N618 PolarHBondContact O-ND2 2.78Å; P614-I734 HydrophobicContact CG-CB 4Å; P614-I734 HydrophobicContact CG-CD1 4.32Å; P614-I734 HydrophobicContact CG-CG2 3.94Å; P614-M805 HydrophobicContact CB-CB 3.79Å; P614-M805 HydrophobicContact CB-CE 4.32Å; P614-M805 HydrophobicContact CG-CE 4.04Å; P614-P807 HydrophobicContact CB-CB 3.92Å |
| 615 | E | 93 | Very high | 91.3 | Very high | 71 Ų | 71 | 46.8 Ų | 46.8 | 33% | 0.332 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.2 | -47.2 | 177.9 | -77.2 | 176.1 | 164.9 | 0 | 0 | 111.6 | K611 Q612 T613 V617 N618 L619 P807 | K611-E615 VanDerWaalsContact CE-OE1 3.23Å; K611-E615 WeakPolarHBondContact CE-OE1 3.09Å; K611-E615 HydrophobicContact CG-CG 4.42Å; K611-E615 WeakPolarHBondContact O-CB 3.4Å; K611-E615 WeakPolarHBondContact O-CG 3.45Å; K611-E615 PolarHBondContact O-N 3.01Å; Q612-E615 PolarHBondContact O-N 3.07Å; T613-E615 PolarHBondContact O-N 2.78Å; E615-V617 VanDerWaalsContact C-N 3.34Å; E615-V617 PolarHBondContact O-N 3.49Å; E615-N618 PolarHBondContact O-N 2.62Å; E615-L619 WeakPolarHBondContact O-CB 3.38Å; E615-L619 VanDerWaalsContact O-CG 3.31Å; E615-L619 WeakPolarHBondContact O-CG 3.21Å; E615-L619 PolarHBondContact O-N 2.98Å; E615-P807 HydrophobicContact CG-CB 3.85Å; E615-P807 HydrophobicContact CG-CG 4.2Å |
| 616 | N | 91.2 | Very high | 90.9 | Very high | 44 Ų | 44 | 45.2 Ų | 45.2 | 24% | 0.235 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.8 | -41.2 | 177.2 | -73.6 | -24.1 | 0 | 0 | 0 | 111.7 | Q612 T613 L619 F620 F626 V645 | Q612-N616 WeakPolarHBondContact O-CB 3.49Å; Q612-N616 VanDerWaalsContact O-CG 3.24Å; Q612-N616 PolarHBondContact O-N 2.9Å; Q612-N616 PolarHBondContact O-ND2 2.98Å; T613-N616 PolarHBondContact O-N 3.09Å; N616-L619 PolarHBondContact O-N 2.64Å; N616-F620 WeakPolarHBondContact O-CB 3.24Å; N616-F620 PolarHBondContact O-N 3.25Å; N616-F626 HydrophobicContact CB-CZ 4.36Å; N616-V645 HydrophobicContact CB-CG2 3.95Å |
| 617 | V | 91.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.8 | -46.5 | 174.1 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | T613 P614 E615 F620 L621 V645 L649 M805 | T613-V617 WeakPolarHBondContact O-CG2 3.05Å; T613-V617 PolarHBondContact O-N 3.19Å; T613-V617 VanDerWaalsContact O-N 3.08Å; P614-V617 PolarHBondContact O-N 3.34Å; E615-V617 VanDerWaalsContact C-N 3.34Å; E615-V617 PolarHBondContact O-N 3.49Å; V617-F620 WeakPolarHBondContact O-CB 3.37Å; V617-F620 PolarHBondContact O-N 3.48Å; V617-L621 HydrophobicContact CG1-CD1 4.03Å; V617-L621 HydrophobicContact CG1-CG 4.49Å; V617-L621 VanDerWaalsContact O-CG 3.3Å; V617-L621 WeakPolarHBondContact O-CG 3.3Å; V617-L621 PolarHBondContact O-N 3.08Å; V617-V645 HydrophobicContact CG2-CB 4.39Å; V617-V645 HydrophobicContact CG2-CG1 4.2Å; V617-V645 HydrophobicContact CG2-CG2 4.23Å; V617-L649 HydrophobicContact CG1-CD2 3.61Å; V617-L649 HydrophobicContact CG1-CG 4.16Å; V617-M805 HydrophobicContact CB-SD 3.89Å; V617-M805 HydrophobicContact CG1-CG 4.13Å; V617-M805 HydrophobicContact CG1-SD 3.83Å; V617-M805 HydrophobicContact CG2-SD 3.76Å |
| 618 | N | 91.8 | Very high | 90 | Very high | 15 Ų | 15 | 51.7 Ų | 51.7 | 8% | 0.08 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.4 | -37.6 | -179.7 | -73 | -17.7 | 0 | 0 | 0 | 112.8 | P614 E615 L621 R622 Q804 M805 | P614-N618 WeakPolarHBondContact O-CB 3.3Å; P614-N618 VanDerWaalsContact O-CG 3.23Å; P614-N618 PolarHBondContact O-N 3.28Å; P614-N618 PolarHBondContact O-ND2 2.78Å; E615-N618 PolarHBondContact O-N 2.62Å; N618-L621 PolarHBondContact O-N 3.48Å; N618-R622 WeakPolarHBondContact O-CB 3.16Å; N618-R622 VanDerWaalsContact O-CG 3.27Å; N618-R622 WeakPolarHBondContact O-CG 3.31Å; N618-R622 PolarHBondContact O-N 2.92Å; N618-Q804 WeakPolarHBondContact OD1-CB 3.3Å; N618-M805 PolarHBondContact ND2-O 3.46Å; N618-M805 PolarHBondContact OD1-N 3.33Å; N618-M805 PolarHBondContact OD1-O 2.99Å |
| 619 | L | 89.6 | Confident | 89.6 | Confident | 83 Ų | 83 | 57.2 Ų | 57.2 | 44% | 0.435 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 173 | -74.7 | 172.2 | 0 | 0 | 0 | 110.8 | E615 N616 L621 R622 D623 F626 | E615-L619 WeakPolarHBondContact O-CB 3.38Å; E615-L619 VanDerWaalsContact O-CG 3.31Å; E615-L619 WeakPolarHBondContact O-CG 3.21Å; E615-L619 PolarHBondContact O-N 2.98Å; N616-L619 PolarHBondContact O-N 2.64Å; L619-L621 VanDerWaalsContact C-N 3.31Å; L619-L621 PolarHBondContact O-N 3.34Å; L619-R622 PolarHBondContact O-N 2.81Å; L619-D623 WeakPolarHBondContact O-CB 3.33Å; L619-D623 PolarHBondContact O-N 3.26Å; L619-F626 HydrophobicContact CB-CD2 3.63Å; L619-F626 HydrophobicContact CB-CE2 3.66Å; L619-F626 HydrophobicContact CD1-CE2 4.28Å |
| 620 | F | 89.6 | Confident | 89.2 | Confident | 8 Ų | 8 | 56 Ų | 56 | 4% | 0.035 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.3 | -40.6 | 173.6 | 167.2 | -105.1 | 0 | 0 | 0 | 112.8 | N616 V617 F626 I627 V645 L649 L796 K800 | N616-F620 WeakPolarHBondContact O-CB 3.24Å; N616-F620 PolarHBondContact O-N 3.25Å; V617-F620 WeakPolarHBondContact O-CB 3.37Å; V617-F620 PolarHBondContact O-N 3.48Å; F620-F626 HydrophobicContact CB-CD1 3.68Å; F620-F626 HydrophobicContact CB-CE1 3.9Å; F620-F626 HydrophobicContact CB-CG 4.19Å; F620-F626 HydrophobicContact CD2-CD1 4.02Å; F620-F626 HydrophobicContact CG-CD1 4.35Å; F620-I627 HydrophobicContact CD2-CG1 4.33Å; F620-I627 HydrophobicContact CE2-CD1 4Å; F620-I627 HydrophobicContact CE2-CG1 4.27Å; F620-V645 HydrophobicContact CB-CG1 4.01Å; F620-V645 HydrophobicContact CD1-CG1 3.74Å; F620-V645 HydrophobicContact CE1-CG1 4.42Å; F620-V645 HydrophobicContact CG-CG1 3.86Å; F620-L649 HydrophobicContact CD1-CD1 3.93Å; F620-L649 HydrophobicContact CE1-CD1 3.81Å; F620-L796 HydrophobicContact CE1-CD2 4.29Å; F620-L796 HydrophobicContact CE2-CB 4.12Å; F620-L796 HydrophobicContact CE2-CD2 4.48Å; F620-L796 HydrophobicContact CZ-CB 3.94Å; F620-L796 HydrophobicContact CZ-CD2 4.14Å; F620-L796 WeakPolarHBondContact CZ-O 3.32Å; F620-K800 HydrophobicContact CE1-CG 4.41Å; F620-K800 HydrophobicContact CZ-CG 3.91Å |
| 621 | L | 87.1 | Confident | 88.5 | Confident | 48 Ų | 48 | 58.2 Ų | 58.2 | 25% | 0.251 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -72.9 | -28.3 | 179.4 | -67.7 | 173.3 | 0 | 0 | 0 | 113.3 | V617 N618 L619 | V617-L621 HydrophobicContact CG1-CD1 4.03Å; V617-L621 HydrophobicContact CG1-CG 4.49Å; V617-L621 VanDerWaalsContact O-CG 3.3Å; V617-L621 WeakPolarHBondContact O-CG 3.3Å; V617-L621 PolarHBondContact O-N 3.08Å; N618-L621 PolarHBondContact O-N 3.48Å; L619-L621 VanDerWaalsContact C-N 3.31Å; L619-L621 PolarHBondContact O-N 3.34Å |
| 622 | R | 87.7 | Confident | 87.8 | Confident | 177 Ų | 177 | 61.4 Ų | 61.4 | 67% | 0.668 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -100.6 | -38.3 | -174.1 | -68 | 175.7 | -176.1 | 178.5 | 3.4 | 114.1 | N618 L619 P624 | N618-R622 WeakPolarHBondContact O-CB 3.16Å; N618-R622 VanDerWaalsContact O-CG 3.27Å; N618-R622 WeakPolarHBondContact O-CG 3.31Å; N618-R622 PolarHBondContact O-N 2.92Å; L619-R622 PolarHBondContact O-N 2.81Å; R622-P624 WeakPolarHBondContact O-CD 3.48Å |
| 623 | D | 85.4 | Confident | 86.9 | Confident | 33 Ų | 33 | 61.6 Ų | 61.6 | 18% | 0.176 | 31% | 0.305 | C | S | . | . | trans | -97.4 | 109.8 | -175.8 | -174.6 | -7.4 | 0 | 0 | 0 | 110.4 | L619 N625 F626 R629 | L619-D623 WeakPolarHBondContact O-CB 3.33Å; L619-D623 PolarHBondContact O-N 3.26Å; D623-N625 PolarHBondContact O-N 3.43Å; D623-N625 VanDerWaalsContact O-N 3.13Å; D623-N625 WeakPolarHBondContact OD1-CB 3.37Å; D623-N625 PolarHBondContact OD1-N 2.92Å; D623-F626 HydrophobicContact CB-CB 4.24Å; D623-F626 WeakPolarHBondContact O-CB 3.1Å; D623-F626 PolarHBondContact O-N 2.88Å; D623-F626 VanDerWaalsContact O-N 3.13Å; D623-R629 IonicContact OD2-CZ 2.97Å; D623-R629 VanDerWaalsContact OD2-CZ 3.28Å; D623-R629 IonicContact OD2-NH1 2.74Å; D623-R629 PolarHBondContact OD2-NH1 3.42Å; D623-R629 IonicContact OD2-NH2 2.9Å; D623-R629 PolarHBondContact OD2-NH2 3.27Å | ||
| 624 | P | 81.9 | Confident | 86.2 | Confident | 105 Ų | 105 | 61.2 Ų | 61.2 | 68% | 0.682 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -20.6 | 179.3 | 25.3 | -32.6 | 0 | 0 | 0 | 113.3 | R622 | R622-P624 WeakPolarHBondContact O-CD 3.48Š|
| 625 | N | 86.4 | Confident | 85.4 | Confident | 83 Ų | 83 | 63.4 Ų | 63.4 | 44% | 0.444 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 8.7 | -179.1 | -58.4 | -29.3 | 0 | 0 | 0 | 112.8 | D623 I627 E628 R629 | D623-N625 PolarHBondContact O-N 3.43Å; D623-N625 VanDerWaalsContact O-N 3.13Å; D623-N625 WeakPolarHBondContact OD1-CB 3.37Å; D623-N625 PolarHBondContact OD1-N 2.92Å; N625-I627 PolarHBondContact O-N 2.91Å; N625-E628 PolarHBondContact O-N 2.78Å; N625-R629 WeakPolarHBondContact O-CB 3.24Å; N625-R629 PolarHBondContact O-N 2.86Å |
| 626 | F | 86.9 | Confident | 84.5 | Confident | 15 Ų | 15 | 63.1 Ų | 63.1 | 7% | 0.066 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -56.7 | -46.9 | -177.2 | 178.1 | -97.9 | 0 | 0 | 0 | 112.8 | N616 L619 F620 D623 E628 R629 T630 I641 L642 V645 | N616-F626 HydrophobicContact CB-CZ 4.36Å; L619-F626 HydrophobicContact CB-CD2 3.63Å; L619-F626 HydrophobicContact CB-CE2 3.66Å; L619-F626 HydrophobicContact CD1-CE2 4.28Å; F620-F626 HydrophobicContact CB-CD1 3.68Å; F620-F626 HydrophobicContact CB-CE1 3.9Å; F620-F626 HydrophobicContact CB-CG 4.19Å; F620-F626 HydrophobicContact CD2-CD1 4.02Å; F620-F626 HydrophobicContact CG-CD1 4.35Å; D623-F626 HydrophobicContact CB-CB 4.24Å; D623-F626 WeakPolarHBondContact O-CB 3.1Å; D623-F626 PolarHBondContact O-N 2.88Å; D623-F626 VanDerWaalsContact O-N 3.13Å; F626-E628 PolarHBondContact O-N 3.26Å; F626-R629 PolarHBondContact O-N 2.87Å; F626-T630 WeakPolarHBondContact O-CB 3.44Å; F626-T630 PolarHBondContact O-N 3.33Å; F626-T630 PolarHBondContact O-OG1 2.84Å; F626-I641 HydrophobicContact CE1-CG2 4.33Å; F626-I641 HydrophobicContact CZ-CG2 3.88Å; F626-L642 HydrophobicContact CD1-CD2 4.38Å; F626-L642 HydrophobicContact CE1-CD2 3.99Å; F626-V645 HydrophobicContact CE1-CG2 4.5Å |
| 627 | I | 84.9 | Confident | 83.8 | Confident | 36 Ų | 36 | 65.8 Ų | 65.8 | 19% | 0.185 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.6 | -49.1 | 179.5 | -65.8 | 173.5 | 0 | 0 | 0 | 110 | F620 N625 R629 T630 L631 L642 K793 | F620-I627 HydrophobicContact CD2-CG1 4.33Å; F620-I627 HydrophobicContact CE2-CD1 4Å; F620-I627 HydrophobicContact CE2-CG1 4.27Å; N625-I627 PolarHBondContact O-N 2.91Å; I627-R629 VanDerWaalsContact C-N 3.34Å; I627-R629 PolarHBondContact O-N 3.38Å; I627-T630 PolarHBondContact O-N 3.39Å; I627-L631 HydrophobicContact CG2-CD1 4.06Å; I627-L631 VanDerWaalsContact O-CG 3.29Å; I627-L631 WeakPolarHBondContact O-CG 3.26Å; I627-L631 PolarHBondContact O-N 3.45Å; I627-L631 VanDerWaalsContact O-N 3.08Å; I627-L642 HydrophobicContact CG1-CD2 4.23Å; I627-L642 HydrophobicContact CG2-CD1 4.45Å; I627-K793 HydrophobicContact CG2-CG 4.25Å |
| 628 | E | 85.3 | Confident | 83.5 | Confident | 137 Ų | 137 | 65.8 Ų | 65.8 | 64% | 0.64 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61.8 | -42.5 | -178.7 | -65.5 | -178.6 | 178.2 | 0 | 0 | 111.7 | N625 F626 L631 | N625-E628 PolarHBondContact O-N 2.78Å; F626-E628 PolarHBondContact O-N 3.26Å; E628-L631 PolarHBondContact O-N 3.4Å |
| 629 | R | 84.8 | Confident | 83.1 | Confident | 135 Ų | 135 | 66.3 Ų | 66.3 | 51% | 0.509 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 176.5 | -168.5 | -179.2 | -58.2 | 153.6 | 16.5 | 111.7 | D623 N625 F626 I627 L631 T632 | D623-R629 IonicContact OD2-CZ 2.97Å; D623-R629 VanDerWaalsContact OD2-CZ 3.28Å; D623-R629 IonicContact OD2-NH1 2.74Å; D623-R629 PolarHBondContact OD2-NH1 3.42Å; D623-R629 IonicContact OD2-NH2 2.9Å; D623-R629 PolarHBondContact OD2-NH2 3.27Å; N625-R629 WeakPolarHBondContact O-CB 3.24Å; N625-R629 PolarHBondContact O-N 2.86Å; F626-R629 PolarHBondContact O-N 2.87Å; I627-R629 VanDerWaalsContact C-N 3.34Å; I627-R629 PolarHBondContact O-N 3.38Å; R629-L631 VanDerWaalsContact C-N 3.28Å; R629-L631 PolarHBondContact O-N 3.07Å; R629-T632 WeakPolarHBondContact O-CB 3.49Å; R629-T632 PolarHBondContact O-N 3.08Å; R629-T632 PolarHBondContact O-OG1 3.37Å |
| 630 | T | 85.1 | Confident | 82.8 | Confident | 6 Ų | 6 | 69.3 Ų | 69.3 | 4% | 0.037 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.5 | -37.1 | -178.9 | -54 | 0 | 0 | 0 | 0 | 111.6 | F626 I627 T632 H633 A638 I641 L642 | F626-T630 WeakPolarHBondContact O-CB 3.44Å; F626-T630 PolarHBondContact O-N 3.33Å; F626-T630 PolarHBondContact O-OG1 2.84Å; I627-T630 PolarHBondContact O-N 3.39Å; T630-T632 PolarHBondContact O-N 3.48Å; T630-H633 PolarHBondContact O-N 3.15Å; T630-H633 VanDerWaalsContact O-N 3.16Å; T630-A638 HydrophobicContact CG2-CB 4.13Å; T630-I641 HydrophobicContact CG2-CB 3.95Å; T630-I641 HydrophobicContact CG2-CD1 3.92Å; T630-I641 HydrophobicContact CG2-CG2 3.89Å; T630-L642 HydrophobicContact CG2-CG 4.37Å |
| 631 | L | 82.4 | Confident | 82.7 | Confident | 47 Ų | 47 | 70.5 Ų | 70.5 | 25% | 0.246 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.9 | -22.7 | 175.9 | -67.7 | 166.6 | 0 | 0 | 0 | 113.2 | I627 E628 R629 H633 G634 A638 L789 | I627-L631 HydrophobicContact CG2-CD1 4.06Å; I627-L631 VanDerWaalsContact O-CG 3.29Å; I627-L631 WeakPolarHBondContact O-CG 3.26Å; I627-L631 PolarHBondContact O-N 3.45Å; I627-L631 VanDerWaalsContact O-N 3.08Å; E628-L631 PolarHBondContact O-N 3.4Å; R629-L631 VanDerWaalsContact C-N 3.28Å; R629-L631 PolarHBondContact O-N 3.07Å; L631-H633 PolarHBondContact O-N 2.98Å; L631-G634 PolarHBondContact O-N 3.43Å; L631-A638 HydrophobicContact CD2-CB 4.09Å; L631-L789 HydrophobicContact CD2-CD1 4.32Å; L631-L789 HydrophobicContact CD2-CD2 4.24Å |
| 632 | T | 80.4 | Confident | 82.7 | Confident | 108 Ų | 108 | 68.2 Ų | 68.2 | 66% | 0.663 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -13.7 | 177.1 | 69.5 | 0 | 0 | 0 | 0 | 113.6 | R629 T630 | R629-T632 WeakPolarHBondContact O-CB 3.49Å; R629-T632 PolarHBondContact O-N 3.08Å; R629-T632 PolarHBondContact O-OG1 3.37Å; T630-T632 PolarHBondContact O-N 3.48Å |
| 633 | H | 73.6 | Confident | 82.7 | Confident | 103 Ų | 103 | 60.4 Ų | 60.4 | 48% | 0.477 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -9.9 | 178.5 | -56.8 | 169.5 | 0 | 0 | 0 | 113.2 | T630 L631 E637 | T630-H633 PolarHBondContact O-N 3.15Å; T630-H633 VanDerWaalsContact O-N 3.16Å; L631-H633 PolarHBondContact O-N 2.98Å; H633-E637 IonicContact ND1-OE1 3.52Å |
| 634 | G | 78.2 | Confident | 82.7 | Confident | 31 Ų | 31 | 60.3 Ų | 60.3 | 32% | 0.32 | 33% | 0.331 | S | S | . | . | trans | 111.3 | 153 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L631 A636 E637 A638 | L631-G634 PolarHBondContact O-N 3.43Å; G634-A636 PolarHBondContact O-N 3.42Å; G634-E637 PolarHBondContact O-N 3.07Å; G634-A638 VanDerWaalsContact O-CB 3.31Å; G634-A638 WeakPolarHBondContact O-CB 3.3Å; G634-A638 PolarHBondContact O-N 2.95Å | ||
| 635 | D | 76.9 | Confident | 83.1 | Confident | 47 Ų | 47 | 55.4 Ų | 55.4 | 25% | 0.251 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | -167.4 | -69.9 | -16.9 | 0 | 0 | 0 | 113.5 | A638 L639 K786 L789 | D635-A638 PolarHBondContact O-N 3.4Å; D635-L639 WeakPolarHBondContact O-CB 3.43Å; D635-L639 WeakPolarHBondContact O-CG 3.12Å; D635-L639 PolarHBondContact O-N 3.22Å; D635-K786 WeakPolarHBondContact OD2-CE 3.47Å; D635-L789 HydrophobicContact CB-CD1 3.86Å |
| 636 | A | 73.2 | Confident | 83.1 | Confident | 65 Ų | 65 | 51.6 Ų | 51.6 | 54% | 0.537 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67.8 | -42.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | G634 L639 E640 | G634-A636 PolarHBondContact O-N 3.42Å; A636-L639 PolarHBondContact O-N 2.74Å; A636-E640 PolarHBondContact O-N 3.2Å |
| 637 | E | 78.5 | Confident | 83.2 | Confident | 99 Ų | 99 | 54 Ų | 54 | 46% | 0.463 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -69.8 | -38.9 | 177.1 | -171.2 | 176.1 | 161.9 | 0 | 0 | 110.9 | H633 G634 L639 E640 I641 | H633-E637 IonicContact ND1-OE1 3.52Å; G634-E637 PolarHBondContact O-N 3.07Å; E637-L639 VanDerWaalsContact C-N 3.34Å; E637-L639 PolarHBondContact O-N 3.36Å; E637-E640 PolarHBondContact O-N 3.43Å; E637-I641 HydrophobicContact CG-CD1 4.01Å; E637-I641 WeakPolarHBondContact O-CG1 3.44Å; E637-I641 PolarHBondContact O-N 3.03Å |
| 638 | A | 83.4 | Confident | 83.4 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.5 | -38.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T630 L631 G634 D635 L642 L789 | T630-A638 HydrophobicContact CG2-CB 4.13Å; L631-A638 HydrophobicContact CD2-CB 4.09Å; G634-A638 VanDerWaalsContact O-CB 3.31Å; G634-A638 WeakPolarHBondContact O-CB 3.3Å; G634-A638 PolarHBondContact O-N 2.95Å; D635-A638 PolarHBondContact O-N 3.4Å; A638-L642 WeakPolarHBondContact O-CB 3.33Å; A638-L642 VanDerWaalsContact O-CG 3.23Å; A638-L642 WeakPolarHBondContact O-CG 3.49Å; A638-L642 PolarHBondContact O-N 2.85Å; A638-L789 HydrophobicContact CB-CD2 4.05Å |
| 639 | L | 83.6 | Confident | 83.5 | Confident | 26 Ų | 26 | 46.5 Ų | 46.5 | 14% | 0.136 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.2 | -44.4 | 173.8 | -85.1 | 170.9 | 0 | 0 | 0 | 112 | D635 A636 E637 G643 D785 Q788 L789 L792 | D635-L639 WeakPolarHBondContact O-CB 3.43Å; D635-L639 WeakPolarHBondContact O-CG 3.12Å; D635-L639 PolarHBondContact O-N 3.22Å; A636-L639 PolarHBondContact O-N 2.74Å; E637-L639 VanDerWaalsContact C-N 3.34Å; E637-L639 PolarHBondContact O-N 3.36Å; L639-G643 WeakPolarHBondContact O-CA 3.24Å; L639-G643 PolarHBondContact O-N 3.31Å; L639-D785 HydrophobicContact CD1-CB 3.66Å; L639-Q788 HydrophobicContact CD2-CB 3.77Å; L639-L789 HydrophobicContact CB-CD2 4.48Å; L639-L789 HydrophobicContact CD1-CG 4.49Å; L639-L789 HydrophobicContact CD2-CB 4.42Å; L639-L789 HydrophobicContact CD2-CD2 3.78Å; L639-L789 HydrophobicContact CD2-CG 3.58Å; L639-L789 HydrophobicContact CG-CD1 4.21Å; L639-L789 HydrophobicContact CG-CD2 3.8Å; L639-L789 HydrophobicContact CG-CG 3.64Å; L639-L792 HydrophobicContact CD2-CD1 3.76Å |
| 640 | E | 84 | Confident | 83.5 | Confident | 147 Ų | 147 | 42.1 Ų | 42.1 | 69% | 0.687 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -63.2 | -50 | 179.1 | -173.5 | 172.3 | -172.4 | 0 | 0 | 111.3 | A636 E637 G644 | A636-E640 PolarHBondContact O-N 3.2Å; E637-E640 PolarHBondContact O-N 3.43Å; E640-G644 PolarHBondContact O-N 3.07Å |
| 641 | I | 86.4 | Confident | 83.4 | Confident | 33 Ų | 33 | 46.2 Ų | 46.2 | 17% | 0.169 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.9 | -52.4 | -178.5 | -65 | 169.3 | 0 | 0 | 0 | 111 | F626 T630 E637 G644 V645 | F626-I641 HydrophobicContact CE1-CG2 4.33Å; F626-I641 HydrophobicContact CZ-CG2 3.88Å; T630-I641 HydrophobicContact CG2-CB 3.95Å; T630-I641 HydrophobicContact CG2-CD1 3.92Å; T630-I641 HydrophobicContact CG2-CG2 3.89Å; E637-I641 HydrophobicContact CG-CD1 4.01Å; E637-I641 WeakPolarHBondContact O-CG1 3.44Å; E637-I641 PolarHBondContact O-N 3.03Å; I641-G644 PolarHBondContact O-N 3.36Å; I641-V645 WeakPolarHBondContact O-CG2 3.39Å; I641-V645 PolarHBondContact O-N 3.27Å |
| 642 | L | 88.3 | Confident | 83.3 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69.3 | -36.3 | -176.7 | -64.4 | 178.6 | 0 | 0 | 0 | 111.9 | F626 I627 T630 A638 V645 C646 L789 L796 | F626-L642 HydrophobicContact CD1-CD2 4.38Å; F626-L642 HydrophobicContact CE1-CD2 3.99Å; I627-L642 HydrophobicContact CG1-CD2 4.23Å; I627-L642 HydrophobicContact CG2-CD1 4.45Å; T630-L642 HydrophobicContact CG2-CG 4.37Å; A638-L642 WeakPolarHBondContact O-CB 3.33Å; A638-L642 VanDerWaalsContact O-CG 3.23Å; A638-L642 WeakPolarHBondContact O-CG 3.49Å; A638-L642 PolarHBondContact O-N 2.85Å; L642-V645 PolarHBondContact O-N 3.41Å; L642-C646 WeakPolarHBondContact O-CB 3.46Å; L642-C646 PolarHBondContact O-N 2.91Å; L642-L789 HydrophobicContact CD1-CD2 4.04Å; L642-L796 HydrophobicContact CB-CD1 3.94Å; L642-L796 HydrophobicContact CD2-CD1 3.96Å; L642-L796 HydrophobicContact CG-CD1 4.43Å |
| 643 | G | 86.3 | Confident | 83 | Confident | 13 Ų | 13 | 48.7 Ų | 48.7 | 13% | 0.134 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.5 | -46 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L639 V645 C646 I647 | L639-G643 WeakPolarHBondContact O-CA 3.24Å; L639-G643 PolarHBondContact O-N 3.31Å; G643-V645 PolarHBondContact O-N 2.97Å; G643-C646 PolarHBondContact O-N 3.2Å; G643-I647 WeakPolarHBondContact O-CG1 3.23Å; G643-I647 PolarHBondContact O-N 3.41Å |
| 644 | G | 87.2 | Confident | 82.9 | Confident | 30 Ų | 30 | 47.3 Ų | 47.3 | 31% | 0.309 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.1 | -44.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E640 I641 S648 | E640-G644 PolarHBondContact O-N 3.07Å; I641-G644 PolarHBondContact O-N 3.36Å; G644-S648 VanDerWaalsContact O-CB 3.3Å; G644-S648 WeakPolarHBondContact O-CB 3.26Å; G644-S648 PolarHBondContact O-N 3.19Å; G644-S648 VanDerWaalsContact O-N 3.08Å; G644-S648 PolarHBondContact O-OG 3.21Å |
| 645 | V | 88.6 | Confident | 82.6 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.012 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.6 | -46.4 | 174.9 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | N616 V617 F620 F626 I641 L642 G643 S648 L649 L796 | N616-V645 HydrophobicContact CB-CG2 3.95Å; V617-V645 HydrophobicContact CG2-CB 4.39Å; V617-V645 HydrophobicContact CG2-CG1 4.2Å; V617-V645 HydrophobicContact CG2-CG2 4.23Å; F620-V645 HydrophobicContact CB-CG1 4.01Å; F620-V645 HydrophobicContact CD1-CG1 3.74Å; F620-V645 HydrophobicContact CE1-CG1 4.42Å; F620-V645 HydrophobicContact CG-CG1 3.86Å; F626-V645 HydrophobicContact CE1-CG2 4.5Å; I641-V645 WeakPolarHBondContact O-CG2 3.39Å; I641-V645 PolarHBondContact O-N 3.27Å; L642-V645 PolarHBondContact O-N 3.41Å; G643-V645 PolarHBondContact O-N 2.97Å; V645-S648 PolarHBondContact O-N 3.12Å; V645-L649 HydrophobicContact CG1-CD1 3.99Å; V645-L649 WeakPolarHBondContact O-CG 3.4Å; V645-L649 PolarHBondContact O-N 2.8Å; V645-L649 VanDerWaalsContact O-N 3.11Å; V645-L796 HydrophobicContact CB-CD2 4.34Å; V645-L796 HydrophobicContact CG1-CD2 3.76Å |
| 646 | C | 87.7 | Confident | 82.8 | Confident | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.02 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.3 | -51.1 | -177.6 | -172.2 | 0 | 0 | 0 | 0 | 111.8 | L642 G643 S648 L649 Q650 L792 L796 | L642-C646 WeakPolarHBondContact O-CB 3.46Å; L642-C646 PolarHBondContact O-N 2.91Å; G643-C646 PolarHBondContact O-N 3.2Å; C646-S648 VanDerWaalsContact C-N 3.32Å; C646-S648 PolarHBondContact O-N 2.92Å; C646-L649 PolarHBondContact O-N 2.81Å; C646-Q650 WeakPolarHBondContact O-CG 3.47Å; C646-Q650 PolarHBondContact O-N 2.91Å; C646-Q650 VanDerWaalsContact O-N 3.09Å; C646-L792 HydrophobicContact CB-CD2 3.87Å; C646-L796 HydrophobicContact CB-CD2 3.8Å; C646-L796 HydrophobicContact CB-CG 4.17Å |
| 647 | I | 88.3 | Confident | 83.4 | Confident | 65 Ų | 65 | 47.8 Ų | 47.8 | 33% | 0.333 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.8 | -37.2 | -178.9 | -62.7 | 172.1 | 0 | 0 | 0 | 110.6 | G643 L649 Q650 G656 H657 | G643-I647 WeakPolarHBondContact O-CG1 3.23Å; G643-I647 PolarHBondContact O-N 3.41Å; I647-L649 VanDerWaalsContact C-N 3.27Å; I647-L649 PolarHBondContact O-N 2.81Å; I647-Q650 PolarHBondContact O-N 2.93Å; I647-G656 CarbonylContact O-C 3.51Å; I647-G656 WeakPolarHBondContact O-CA 3.34Å; I647-H657 HydrophobicContact CG2-CB 3.9Å; I647-H657 WeakPolarHBondContact CG2-ND1 3.39Å; I647-H657 PolarHBondContact O-N 2.87Å |
| 648 | S | 89.5 | Confident | 84 | Confident | 8 Ų | 8 | 45.6 Ų | 45.6 | 6% | 0.056 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.5 | -26 | 178.4 | -57.3 | 0 | 0 | 0 | 0 | 113.6 | T613 G644 V645 C646 Y735 | T613-S648 VanDerWaalsContact CG2-OG 3.3Å; T613-S648 WeakPolarHBondContact CG2-OG 3.15Å; G644-S648 VanDerWaalsContact O-CB 3.3Å; G644-S648 WeakPolarHBondContact O-CB 3.26Å; G644-S648 PolarHBondContact O-N 3.19Å; G644-S648 VanDerWaalsContact O-N 3.08Å; G644-S648 PolarHBondContact O-OG 3.21Å; V645-S648 PolarHBondContact O-N 3.12Å; C646-S648 VanDerWaalsContact C-N 3.32Å; C646-S648 PolarHBondContact O-N 2.92Å; S648-Y735 PolarHBondContact O-OH 3.44Å |
| 649 | L | 86.9 | Confident | 84.4 | Confident | 8 Ų | 8 | 46 Ų | 46 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -88.2 | -25.4 | 176.7 | -71 | 179.7 | 0 | 0 | 0 | 113.3 | V617 F620 V645 C646 I647 L799 A802 | V617-L649 HydrophobicContact CG1-CD2 3.61Å; V617-L649 HydrophobicContact CG1-CG 4.16Å; F620-L649 HydrophobicContact CD1-CD1 3.93Å; F620-L649 HydrophobicContact CE1-CD1 3.81Å; V645-L649 HydrophobicContact CG1-CD1 3.99Å; V645-L649 WeakPolarHBondContact O-CG 3.4Å; V645-L649 PolarHBondContact O-N 2.8Å; V645-L649 VanDerWaalsContact O-N 3.11Å; C646-L649 PolarHBondContact O-N 2.81Å; I647-L649 VanDerWaalsContact C-N 3.27Å; I647-L649 PolarHBondContact O-N 2.81Å; L649-L799 HydrophobicContact CB-CB 4.4Å; L649-L799 HydrophobicContact CB-CD1 4.11Å; L649-L799 HydrophobicContact CD1-CB 4.08Å; L649-A802 HydrophobicContact CD2-CB 3.63Å |
| 650 | Q | 85.9 | Confident | 84.8 | Confident | 44 Ų | 44 | 50 Ų | 50 | 21% | 0.206 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -77.5 | 142.7 | 179.3 | -75 | 177.2 | -14.5 | 0 | 0 | 112.3 | C646 I647 G656 H657 R658 L799 | C646-Q650 WeakPolarHBondContact O-CG 3.47Å; C646-Q650 PolarHBondContact O-N 2.91Å; C646-Q650 VanDerWaalsContact O-N 3.09Å; I647-Q650 PolarHBondContact O-N 2.93Å; Q650-G656 CarbonylContact O-C 3.54Å; Q650-G656 WeakPolarHBondContact O-CA 3.38Å; Q650-H657 PolarHBondContact O-N 3.34Å; Q650-H657 VanDerWaalsContact O-N 3.16Å; Q650-R658 WeakPolarHBondContact O-CB 3.39Å; Q650-R658 PolarHBondContact O-N 2.93Å; Q650-L799 HydrophobicContact CG-CD1 3.98Å |
| 651 | E | 82.5 | Confident | 85.2 | Confident | 92 Ų | 92 | 44.7 Ų | 44.7 | 43% | 0.43 | 26% | 0.256 | S | S | . | . | B | Isolated β-bridge | trans | -66.2 | 148 | 176.1 | -59.1 | -166.7 | 155.1 | 0 | 0 | 112 | E653 A654 G656 K660 | E651-E653 PolarHBondContact O-N 3.45Å; E651-A654 PolarHBondContact O-N 2.79Å; E651-G656 WeakPolarHBondContact O-CA 3.15Å; E651-G656 PolarHBondContact O-N 3.38Å; E651-K660 VanDerWaalsContact OE1-CE 3.24Å; E651-K660 WeakPolarHBondContact OE1-CE 3.46Å; E651-K660 IonicContact OE1-NZ 3.73Å; E651-K660 WeakPolarHBondContact OE2-CE 3.38Å; E651-K660 IonicContact OE2-NZ 3.23Å; E651-K660 PolarHBondContact OE2-NZ 2.85Å |
| 652 | M | 79.8 | Confident | 85.7 | Confident | 43 Ų | 43 | 44.7 Ų | 44.7 | 21% | 0.212 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -57.7 | -33.3 | 178.7 | -71.3 | -169.2 | -174.7 | 0 | 0 | 113.8 | A654 G655 G656 H657 R658 P659 D664 W668 Y731 | M652-A654 PolarHBondContact O-N 2.74Å; M652-G655 PolarHBondContact O-N 3.13Å; M652-G655 VanDerWaalsContact O-N 3.17Å; M652-G656 WeakPolarHBondContact CA-O 3.46Å; M652-H657 WeakPolarHBondContact CE-O 3.47Å; M652-R658 PolarHBondContact N-O 2.88Å; M652-P659 HydrophobicContact CE-CB 3.92Å; M652-D664 HydrophobicContact CE-CB 4.16Å; M652-D664 HydrophobicContact SD-CB 3.93Å; M652-W668 HydrophobicContact CE-CB 4.09Å; M652-Y731 HydrophobicContact CE-CE1 4.08Å |
| 653 | E | 73.8 | Confident | 86 | Confident | 163 Ų | 163 | 49.5 Ų | 49.5 | 76% | 0.762 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -64.9 | -27.8 | 175.8 | -68.1 | 169.3 | -136.3 | 0 | 0 | 112.8 | E651 G655 K660 | E651-E653 PolarHBondContact O-N 3.45Å; E653-G655 VanDerWaalsContact C-N 3.31Å; E653-K660 IonicContact OE1-NZ 2.81Å; E653-K660 PolarHBondContact OE1-NZ 3.43Å; E653-K660 IonicContact OE2-NZ 2.91Å |
| 654 | A | 71.8 | Confident | 86.3 | Confident | 75 Ų | 75 | 51.3 Ų | 51.3 | 62% | 0.62 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -91.4 | 9.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E651 M652 | E651-A654 PolarHBondContact O-N 2.79Å; M652-A654 PolarHBondContact O-N 2.74Å |
| 655 | G | 72.1 | Confident | 86.8 | Confident | 60 Ų | 60 | 49.9 Ų | 49.9 | 62% | 0.619 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.4 | 10.1 | -176 | 0 | 0 | 0 | 0 | 0 | 114.4 | M652 E653 | M652-G655 PolarHBondContact O-N 3.13Å; M652-G655 VanDerWaalsContact O-N 3.17Å; E653-G655 VanDerWaalsContact C-N 3.31Å |
| 656 | G | 80.9 | Confident | 87.2 | Confident | 6 Ų | 6 | 49.8 Ų | 49.8 | 6% | 0.062 | 27% | 0.267 | C | S | . | . | trans | -86 | -167.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | I647 Q650 E651 M652 | I647-G656 CarbonylContact O-C 3.51Å; I647-G656 WeakPolarHBondContact O-CA 3.34Å; Q650-G656 CarbonylContact O-C 3.54Å; Q650-G656 WeakPolarHBondContact O-CA 3.38Å; E651-G656 WeakPolarHBondContact O-CA 3.15Å; E651-G656 PolarHBondContact O-N 3.38Å; M652-G656 WeakPolarHBondContact CA-O 3.46Å | ||
| 657 | H | 86.6 | Confident | 87.5 | Confident | 87 Ų | 87 | 49.9 Ų | 49.9 | 40% | 0.403 | 27% | 0.269 | S | S | . | . | trans | -117.3 | -6.2 | -177.2 | -77.4 | 171.4 | 0 | 0 | 0 | 113.6 | I647 Q650 M652 P659 Y731 | I647-H657 HydrophobicContact CG2-CB 3.9Å; I647-H657 WeakPolarHBondContact CG2-ND1 3.39Å; I647-H657 PolarHBondContact O-N 2.87Å; Q650-H657 PolarHBondContact O-N 3.34Å; Q650-H657 VanDerWaalsContact O-N 3.16Å; M652-H657 WeakPolarHBondContact CE-O 3.47Å; H657-P659 VanDerWaalsContact O-CD 3.26Å; H657-P659 WeakPolarHBondContact O-CD 3.3Å; H657-Y731 WeakPolarHBondContact CB-OH 3.43Å; H657-Y731 PolarHBondContact O-OH 2.85Å | ||
| 658 | R | 90.3 | Very high | 87.9 | Confident | 53 Ų | 53 | 47.8 Ų | 47.8 | 20% | 0.2 | 26% | 0.257 | C | S | . | . | B | Isolated β-bridge | trans | -69.3 | 117.1 | -176.4 | -170.6 | 175.2 | -174.8 | 88.6 | 9.4 | 112.1 | Q650 M652 Y735 A803 | Q650-R658 WeakPolarHBondContact O-CB 3.39Å; Q650-R658 PolarHBondContact O-N 2.93Å; M652-R658 PolarHBondContact N-O 2.88Å; R658-Y735 HydrophobicContact CB-CE1 4.25Å; R658-Y735 HydrophobicContact CG-CD1 4.05Å; R658-Y735 HydrophobicContact CG-CE1 3.86Å; R658-A803 PolarHBondContact NH1-O 3.38Å |
| 659 | P | 93 | Very high | 88.3 | Confident | 9 Ų | 9 | 47.4 Ų | 47.4 | 6% | 0.058 | 25% | 0.254 | C | S | . | . | trans | -76.7 | 150.2 | 178 | 31.6 | -33.6 | 0 | 0 | 0 | 112.1 | M652 H657 D664 Y731 Y735 I737 | M652-P659 HydrophobicContact CE-CB 3.92Å; H657-P659 VanDerWaalsContact O-CD 3.26Å; H657-P659 WeakPolarHBondContact O-CD 3.3Å; P659-D664 HydrophobicContact CB-CB 3.75Å; P659-Y731 HydrophobicContact CB-CE1 4.43Å; P659-Y731 HydrophobicContact CG-CD1 4.28Å; P659-Y731 HydrophobicContact CG-CE1 3.94Å; P659-Y735 VanDerWaalsContact CD-CD2 3.42Å; P659-Y735 HydrophobicContact CG-CD1 4.4Å; P659-Y735 HydrophobicContact CG-CD2 3.55Å; P659-Y735 HydrophobicContact CG-CE2 4.14Å; P659-Y735 HydrophobicContact CG-CG 3.72Å; P659-I737 HydrophobicContact CB-CD1 3.85Å; P659-I737 HydrophobicContact CG-CD1 3.72Å | ||
| 660 | K | 91 | Very high | 88.7 | Confident | 109 Ų | 109 | 48.4 Ų | 48.4 | 47% | 0.474 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -106.8 | -22.1 | 172 | -67.1 | 180 | -177.6 | 171.1 | 0 | 112.5 | E651 E653 D664 | E651-K660 VanDerWaalsContact OE1-CE 3.24Å; E651-K660 WeakPolarHBondContact OE1-CE 3.46Å; E651-K660 IonicContact OE1-NZ 3.73Å; E651-K660 WeakPolarHBondContact OE2-CE 3.38Å; E651-K660 IonicContact OE2-NZ 3.23Å; E651-K660 PolarHBondContact OE2-NZ 2.85Å; E653-K660 IonicContact OE1-NZ 2.81Å; E653-K660 PolarHBondContact OE1-NZ 3.43Å; E653-K660 IonicContact OE2-NZ 2.91Å; K660-D664 PolarHBondContact N-OD2 2.9Å |
| 661 | S | 93.5 | Very high | 89.2 | Confident | 36 Ų | 36 | 51.4 Ų | 51.4 | 25% | 0.252 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -140.6 | 166.6 | -173 | 63.7 | 0 | 0 | 0 | 0 | 112.2 | E663 D664 C665 | S661-E663 VanDerWaalsContact C-N 3.26Å; S661-E663 WeakPolarHBondContact CB-OE2 3.4Å; S661-E663 PolarHBondContact O-N 2.91Å; S661-D664 PolarHBondContact N-OD2 2.83Å; S661-D664 WeakPolarHBondContact O-CB 3.31Å; S661-D664 PolarHBondContact O-N 3.3Å; S661-D664 PolarHBondContact OG-N 2.92Å; S661-D664 PolarHBondContact OG-OD2 3.34Å; S661-C665 PolarHBondContact O-N 3.08Å |
| 662 | W | 95 | Very high | 89.9 | Confident | 32 Ų | 32 | 49.2 Ų | 49.2 | 12% | 0.121 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.7 | -35.7 | 172.6 | 170.6 | -115.7 | 0 | 0 | 0 | 111.8 | D664 C665 V666 A728 N729 I737 G739 T740 I746 | W662-D664 VanDerWaalsContact C-N 3.27Å; W662-D664 PolarHBondContact O-N 2.96Å; W662-C665 HydrophobicContact CE3-CB 3.99Å; W662-C665 HydrophobicContact CZ3-CB 4.18Å; W662-C665 WeakPolarHBondContact O-CB 3.3Å; W662-C665 PolarHBondContact O-N 3.36Å; W662-C665 VanDerWaalsContact O-N 3.08Å; W662-V666 HydrophobicContact CD2-CG2 4.33Å; W662-V666 HydrophobicContact CZ2-CG2 3.88Å; W662-V666 PolarHBondContact O-N 3.44Å; W662-A728 HydrophobicContact CH2-CB 3.66Å; W662-A728 HydrophobicContact CZ2-CB 4.31Å; W662-A728 HydrophobicContact CZ3-CB 4.04Å; W662-A728 WeakPolarHBondContact CZ3-O 3.16Å; W662-N729 HydrophobicContact CH2-CB 4.4Å; W662-I737 HydrophobicContact CB-CG2 4.4Å; W662-G739 VanDerWaalsContact CE3-CA 3.43Å; W662-T740 HydrophobicContact CZ2-CG2 3.83Å; W662-I746 HydrophobicContact CZ2-CD1 4.13Å; W662-I746 HydrophobicContact CZ2-CG1 4.15Å |
| 663 | E | 94.6 | Very high | 90.7 | Very high | 102 Ų | 102 | 47.2 Ų | 47.2 | 48% | 0.477 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.5 | -35 | 177.1 | -66.6 | 73.6 | -165.4 | 0 | 0 | 112 | S661 C665 V666 G667 T749 | S661-E663 VanDerWaalsContact C-N 3.26Å; S661-E663 WeakPolarHBondContact CB-OE2 3.4Å; S661-E663 PolarHBondContact O-N 2.91Å; E663-C665 VanDerWaalsContact C-N 3.34Å; E663-V666 PolarHBondContact O-N 3.22Å; E663-G667 PolarHBondContact O-N 3.48Å; E663-T749 HydrophobicContact CB-CG2 3.94Å; E663-T749 HydrophobicContact CG-CG2 3.88Å |
| 664 | D | 94.1 | Very high | 91.9 | Very high | 50 Ų | 50 | 40.9 Ų | 40.9 | 27% | 0.267 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.6 | -38.9 | 173.2 | -63.6 | -38.3 | 0 | 0 | 0 | 111.6 | M652 P659 K660 S661 W662 G667 W668 | M652-D664 HydrophobicContact CE-CB 4.16Å; M652-D664 HydrophobicContact SD-CB 3.93Å; P659-D664 HydrophobicContact CB-CB 3.75Å; K660-D664 PolarHBondContact N-OD2 2.9Å; S661-D664 PolarHBondContact N-OD2 2.83Å; S661-D664 WeakPolarHBondContact O-CB 3.31Å; S661-D664 PolarHBondContact O-N 3.3Å; S661-D664 PolarHBondContact OG-N 2.92Å; S661-D664 PolarHBondContact OG-OD2 3.34Å; W662-D664 VanDerWaalsContact C-N 3.27Å; W662-D664 PolarHBondContact O-N 2.96Å; D664-G667 PolarHBondContact O-N 2.8Å; D664-W668 WeakPolarHBondContact O-CB 3.44Å; D664-W668 PolarHBondContact O-N 3.4Å |
| 665 | C | 96.1 | Very high | 93 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.6 | -43.2 | 175.7 | -61.5 | 0 | 0 | 0 | 0 | 111.5 | S661 W662 E663 W668 A669 A728 Y731 | S661-C665 PolarHBondContact O-N 3.08Å; W662-C665 HydrophobicContact CE3-CB 3.99Å; W662-C665 HydrophobicContact CZ3-CB 4.18Å; W662-C665 WeakPolarHBondContact O-CB 3.3Å; W662-C665 PolarHBondContact O-N 3.36Å; W662-C665 VanDerWaalsContact O-N 3.08Å; E663-C665 VanDerWaalsContact C-N 3.34Å; C665-W668 PolarHBondContact O-N 3.37Å; C665-A669 PolarHBondContact O-N 2.95Å; C665-A728 HydrophobicContact CB-CB 4.34Å; C665-Y731 HydrophobicContact CB-CD1 4.41Å |
| 666 | V | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.1 | -43.4 | 174.7 | 176.7 | 0 | 0 | 0 | 0 | 110.9 | W662 E663 W668 A669 R670 V724 A728 I746 T749 L750 | W662-V666 HydrophobicContact CD2-CG2 4.33Å; W662-V666 HydrophobicContact CZ2-CG2 3.88Å; W662-V666 PolarHBondContact O-N 3.44Å; E663-V666 PolarHBondContact O-N 3.22Å; V666-W668 PolarHBondContact O-N 2.81Å; V666-A669 PolarHBondContact O-N 2.93Å; V666-R670 PolarHBondContact O-N 3.09Å; V666-V724 HydrophobicContact CG1-CG1 4.23Å; V666-A728 HydrophobicContact CG2-CB 4.17Å; V666-I746 HydrophobicContact CG1-CG2 4.09Å; V666-I746 HydrophobicContact CG2-CG2 4.45Å; V666-T749 HydrophobicContact CB-CG2 3.95Å; V666-T749 HydrophobicContact CG1-CG2 3.86Å; V666-T749 HydrophobicContact CG2-CG2 4.47Å; V666-L750 HydrophobicContact CG1-CD2 3.77Å; V666-L750 HydrophobicContact CG1-CG 3.95Å |
| 667 | G | 95.6 | Very high | 95 | Very high | 5 Ų | 5 | 36.7 Ų | 36.7 | 5% | 0.052 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.4 | -42 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E663 D664 R671 | E663-G667 PolarHBondContact O-N 3.48Å; D664-G667 PolarHBondContact O-N 2.8Å; G667-R671 VanDerWaalsContact O-CG 3.32Å; G667-R671 WeakPolarHBondContact O-CG 3.41Å; G667-R671 PolarHBondContact O-N 3.2Å; G667-R671 VanDerWaalsContact O-N 3.08Å |
| 668 | W | 95.8 | Very high | 95.5 | Very high | 21 Ų | 21 | 33.1 Ų | 33.1 | 8% | 0.08 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.6 | -50.7 | 173.6 | 174 | 89.4 | 0 | 0 | 0 | 111.4 | L609 F610 M652 D664 C665 V666 R670 R671 K672 A727 Y731 | L609-W668 HydrophobicContact CD1-CH2 4.28Å; L609-W668 HydrophobicContact CD2-CZ2 4.3Å; F610-W668 HydrophobicContact CE1-CH2 4.05Å; F610-W668 HydrophobicContact CE1-CZ3 4.39Å; F610-W668 HydrophobicContact CZ-CH2 4.2Å; M652-W668 HydrophobicContact CE-CB 4.09Å; D664-W668 WeakPolarHBondContact O-CB 3.44Å; D664-W668 PolarHBondContact O-N 3.4Å; C665-W668 PolarHBondContact O-N 3.37Å; V666-W668 PolarHBondContact O-N 2.81Å; W668-R670 VanDerWaalsContact C-N 3.33Å; W668-R670 PolarHBondContact O-N 3.45Å; W668-R671 PolarHBondContact O-N 2.86Å; W668-K672 HydrophobicContact CH2-CG 4.42Å; W668-K672 HydrophobicContact CZ2-CD 4.46Å; W668-K672 HydrophobicContact CZ2-CG 4.28Å; W668-K672 WeakPolarHBondContact O-CB 3.43Å; W668-K672 PolarHBondContact O-N 2.95Å; W668-A727 HydrophobicContact CZ3-CB 4.13Å; W668-Y731 HydrophobicContact CB-CD1 4.16Å; W668-Y731 HydrophobicContact CB-CE1 4.02Å; W668-Y731 AromaticContact CD1-CE1 3.86Å; W668-Y731 AromaticContact CD1-CZ 3.64Å; W668-Y731 AromaticContact CD2-CD1 3.78Å; W668-Y731 HydrophobicContact CD2-CD1 3.78Å; W668-Y731 AromaticContact CD2-CD2 3.72Å; W668-Y731 HydrophobicContact CD2-CD2 3.72Å; W668-Y731 AromaticContact CD2-CE1 3.87Å; W668-Y731 HydrophobicContact CD2-CE1 3.87Å; W668-Y731 AromaticContact CD2-CE2 3.81Å; W668-Y731 HydrophobicContact CD2-CE2 3.81Å; W668-Y731 AromaticContact CD2-CG 3.69Å; W668-Y731 HydrophobicContact CD2-CG 3.69Å; W668-Y731 AromaticContact CD2-CZ 3.86Å; W668-Y731 AromaticContact CE2-CD2 3.63Å; W668-Y731 AromaticContact CE2-CE2 3.43Å; W668-Y731 VanDerWaalsContact CE2-CE2 3.43Å; W668-Y731 AromaticContact CE2-CZ 3.75Å; W668-Y731 AromaticContact CE3-CD1 3.86Å; W668-Y731 HydrophobicContact CE3-CD1 3.86Å; W668-Y731 AromaticContact CE3-CD2 3.72Å; W668-Y731 HydrophobicContact CE3-CD2 3.72Å; W668-Y731 HydrophobicContact CE3-CE1 4.41Å; W668-Y731 HydrophobicContact CE3-CE2 4.3Å; W668-Y731 AromaticContact CE3-CG 3.46Å; W668-Y731 HydrophobicContact CE3-CG 3.46Å; W668-Y731 VanDerWaalsContact CE3-CG 3.46Å; W668-Y731 AromaticContact CG-CD1 3.91Å; W668-Y731 HydrophobicContact CG-CD1 3.91Å; W668-Y731 HydrophobicContact CG-CD2 4.5Å; W668-Y731 AromaticContact CG-CE1 3.64Å; W668-Y731 HydrophobicContact CG-CE1 3.64Å; W668-Y731 HydrophobicContact CG-CE2 4.28Å; W668-Y731 HydrophobicContact CG-CG 4.32Å; W668-Y731 AromaticContact CG-CZ 3.83Å; W668-Y731 AromaticContact CH2-CD2 3.63Å; W668-Y731 HydrophobicContact CH2-CD2 3.63Å; W668-Y731 HydrophobicContact CH2-CE2 4.17Å; W668-Y731 HydrophobicContact CH2-CG 4.18Å; W668-Y731 AromaticContact CZ2-CD2 3.61Å; W668-Y731 HydrophobicContact CZ2-CD2 3.61Å; W668-Y731 AromaticContact CZ2-CE2 3.65Å; W668-Y731 HydrophobicContact CZ2-CE2 3.65Å; W668-Y731 HydrophobicContact CZ2-CG 4.36Å; W668-Y731 AromaticContact CZ3-CD2 3.69Å; W668-Y731 HydrophobicContact CZ3-CD2 3.69Å; W668-Y731 HydrophobicContact CZ3-CE2 4.47Å; W668-Y731 AromaticContact CZ3-CG 3.73Å; W668-Y731 HydrophobicContact CZ3-CG 3.73Å; W668-Y731 AromaticContact NE1-CE2 3.66Å; W668-Y731 AromaticContact NE1-CZ 3.58Å |
| 669 | A | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.6 | -43.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | C665 V666 K672 W673 V724 A727 A728 | C665-A669 PolarHBondContact O-N 2.95Å; V666-A669 PolarHBondContact O-N 2.93Å; A669-K672 PolarHBondContact O-N 2.98Å; A669-W673 PolarHBondContact O-N 3.3Å; A669-V724 HydrophobicContact CB-CG1 4.19Å; A669-A727 HydrophobicContact CB-CB 3.93Å; A669-A728 HydrophobicContact CB-CB 3.98Å |
| 670 | R | 97.1 | Very high | 95.9 | Very high | 30 Ų | 30 | 35.4 Ų | 35.4 | 11% | 0.113 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.9 | -41.7 | 176.6 | 176.7 | 59.3 | -168.9 | 90.5 | -3.1 | 112.9 | V666 W668 W673 E674 F713 L750 V753 V755 | V666-R670 PolarHBondContact O-N 3.09Å; W668-R670 VanDerWaalsContact C-N 3.33Å; W668-R670 PolarHBondContact O-N 3.45Å; R670-W673 WeakPolarHBondContact O-CB 3.36Å; R670-W673 PolarHBondContact O-N 3.39Å; R670-E674 IonicContact CZ-OE2 2.85Å; R670-E674 IonicContact NH1-OE2 3.54Å; R670-E674 PolarHBondContact NH1-OE2 2.93Å; R670-E674 IonicContact NH2-OE2 3.8Å; R670-E674 PolarHBondContact NH2-OE2 3.47Å; R670-E674 PolarHBondContact O-N 3.33Å; R670-E674 VanDerWaalsContact O-N 3.14Å; R670-F713 VanDerWaalsContact CZ-CB 3.41Å; R670-F713 VanDerWaalsContact NE-CD1 3.3Å; R670-F713 VanDerWaalsContact NE-CG 3.33Å; R670-L750 HydrophobicContact CB-CD2 3.6Å; R670-L750 HydrophobicContact CG-CD2 3.84Å; R670-V753 HydrophobicContact CB-CG1 4.13Å; R670-V753 HydrophobicContact CG-CB 4.44Å; R670-V753 HydrophobicContact CG-CG1 3.98Å; R670-V755 HydrophobicContact CG-CG2 4.2Å |
| 671 | R | 95.9 | Very high | 96.2 | Very high | 107 Ų | 107 | 30.4 Ų | 30.4 | 40% | 0.404 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -69.5 | -36.7 | 176.7 | -70.4 | 174 | -169.7 | 147.2 | 3.9 | 111.6 | G667 W668 E674 T675 S754 | G667-R671 VanDerWaalsContact O-CG 3.32Å; G667-R671 WeakPolarHBondContact O-CG 3.41Å; G667-R671 PolarHBondContact O-N 3.2Å; G667-R671 VanDerWaalsContact O-N 3.08Å; W668-R671 PolarHBondContact O-N 2.86Å; R671-E674 PolarHBondContact O-N 2.96Å; R671-T675 PolarHBondContact O-N 2.89Å; R671-T675 PolarHBondContact O-OG1 2.94Å; R671-T675 VanDerWaalsContact O-OG1 3.13Å; R671-S754 PolarHBondContact NE-O 3.36Å |
| 672 | K | 96 | Very high | 96.3 | Very high | 46 Ų | 46 | 33.9 Ų | 33.9 | 20% | 0.2 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.7 | -42.3 | 175.1 | -169.2 | 64.7 | 171.3 | 172.9 | 0 | 111.2 | W668 A669 E674 T675 Q676 Y723 | W668-K672 HydrophobicContact CH2-CG 4.42Å; W668-K672 HydrophobicContact CZ2-CD 4.46Å; W668-K672 HydrophobicContact CZ2-CG 4.28Å; W668-K672 WeakPolarHBondContact O-CB 3.43Å; W668-K672 PolarHBondContact O-N 2.95Å; A669-K672 PolarHBondContact O-N 2.98Å; K672-E674 PolarHBondContact O-N 3.3Å; K672-T675 PolarHBondContact O-N 3.13Å; K672-Q676 PolarHBondContact O-N 3Å; K672-Y723 WeakPolarHBondContact CG-OH 3.41Å |
| 673 | W | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -55.5 | -49.3 | 171.4 | -173.3 | 97.9 | 0 | 0 | 0 | 111.4 | A669 R670 T675 Q676 Y677 L711 T712 F713 H720 Y723 L829 | A669-W673 PolarHBondContact O-N 3.3Å; R670-W673 WeakPolarHBondContact O-CB 3.36Å; R670-W673 PolarHBondContact O-N 3.39Å; W673-T675 VanDerWaalsContact C-N 3.31Å; W673-T675 PolarHBondContact O-N 3.28Å; W673-Q676 PolarHBondContact O-N 3.46Å; W673-Y677 HydrophobicContact CB-CD2 4.27Å; W673-Y677 AromaticContact CD1-CD2 3.47Å; W673-Y677 VanDerWaalsContact CD1-CD2 3.47Å; W673-Y677 AromaticContact CD1-CE2 3.76Å; W673-Y677 HydrophobicContact CD2-CD2 4.01Å; W673-Y677 AromaticContact CE2-CD2 3.96Å; W673-Y677 AromaticContact CG-CD2 3.7Å; W673-Y677 HydrophobicContact CG-CD2 3.7Å; W673-Y677 HydrophobicContact CG-CE2 4.23Å; W673-Y677 AromaticContact NE1-CD2 3.65Å; W673-Y677 VanDerWaalsContact O-CD2 3.24Å; W673-Y677 WeakPolarHBondContact O-CD2 3.31Å; W673-Y677 PolarHBondContact O-N 2.99Å; W673-L711 HydrophobicContact CH2-CB 3.68Å; W673-L711 HydrophobicContact CZ2-CB 3.9Å; W673-L711 HydrophobicContact CZ2-CD1 4.46Å; W673-T712 VanDerWaalsContact CH2-C 3.41Å; W673-F713 HydrophobicContact CD2-CB 4.36Å; W673-F713 AromaticContact CD2-CD2 3.59Å; W673-F713 HydrophobicContact CD2-CD2 3.59Å; W673-F713 HydrophobicContact CD2-CE2 4.42Å; W673-F713 HydrophobicContact CD2-CG 4.43Å; W673-F713 AromaticContact CE2-CD2 3.76Å; W673-F713 HydrophobicContact CE3-CB 3.75Å; W673-F713 AromaticContact CE3-CD2 3.82Å; W673-F713 HydrophobicContact CE3-CD2 3.82Å; W673-F713 HydrophobicContact CE3-CG 4.22Å; W673-F713 HydrophobicContact CG-CD2 4.02Å; W673-F713 HydrophobicContact CG-CE2 4.42Å; W673-F713 VanDerWaalsContact CH2-CA 3.41Å; W673-F713 HydrophobicContact CH2-CB 3.8Å; W673-F713 HydrophobicContact CH2-CD2 4.44Å; W673-F713 HydrophobicContact CZ2-CB 4.34Å; W673-F713 HydrophobicContact CZ2-CD2 4.19Å; W673-F713 HydrophobicContact CZ3-CB 3.47Å; W673-F713 VanDerWaalsContact CZ3-CB 3.47Å; W673-F713 HydrophobicContact CZ3-CD2 4.26Å; W673-F713 HydrophobicContact CZ3-CG 4.37Å; W673-H720 AromaticContact CZ2-CE1 3.51Å; W673-H720 AromaticContact CZ2-ND1 3.49Å; W673-H720 WeakPolarHBondContact CZ2-ND1 3.34Å; W673-Y723 HydrophobicContact CB-CD1 4.02Å; W673-Y723 HydrophobicContact CB-CE1 3.69Å; W673-Y723 AromaticContact CD1-CD1 3.59Å; W673-Y723 HydrophobicContact CG-CD1 4.21Å; W673-Y723 HydrophobicContact CG-CE1 4.29Å; W673-L829 HydrophobicContact CZ2-CD2 4.35Å; W673-L829 VanDerWaalsContact NE1-CD1 3.33Å |
| 674 | E | 97.9 | Very high | 96.2 | Very high | 30 Ų | 30 | 28.7 Ų | 28.7 | 14% | 0.14 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.2 | -44.3 | 179.5 | -163.3 | 74.9 | -168.4 | 0 | 0 | 111.3 | R670 R671 K672 N678 N679 V755 | R670-E674 IonicContact CZ-OE2 2.85Å; R670-E674 IonicContact NH1-OE2 3.54Å; R670-E674 PolarHBondContact NH1-OE2 2.93Å; R670-E674 IonicContact NH2-OE2 3.8Å; R670-E674 PolarHBondContact NH2-OE2 3.47Å; R670-E674 PolarHBondContact O-N 3.33Å; R670-E674 VanDerWaalsContact O-N 3.14Å; R671-E674 PolarHBondContact O-N 2.96Å; K672-E674 PolarHBondContact O-N 3.3Å; E674-N678 HydrophobicContact CG-CB 4.34Å; E674-N678 WeakPolarHBondContact O-CA 3.42Å; E674-N678 VanDerWaalsContact O-CB 3.29Å; E674-N678 WeakPolarHBondContact O-CB 3.27Å; E674-N678 PolarHBondContact O-N 3.31Å; E674-N678 VanDerWaalsContact O-N 3.09Å; E674-N679 PolarHBondContact O-N 2.89Å; E674-V755 HydrophobicContact CB-CG1 3.88Å; E674-V755 HydrophobicContact CG-CG1 3.5Å; E674-V755 VanDerWaalsContact CG-CG1 3.5Å |
| 675 | T | 95.9 | Very high | 96.2 | Very high | 54 Ų | 54 | 27.9 Ų | 27.9 | 33% | 0.331 | 13% | 0.125 | S | C | . | . | I | π-helix | trans | -60.1 | -50.1 | -179.5 | -64.3 | 0 | 0 | 0 | 0 | 111.3 | R671 K672 W673 N679 E680 | R671-T675 PolarHBondContact O-N 2.89Å; R671-T675 PolarHBondContact O-OG1 2.94Å; R671-T675 VanDerWaalsContact O-OG1 3.13Å; K672-T675 PolarHBondContact O-N 3.13Å; W673-T675 VanDerWaalsContact C-N 3.31Å; W673-T675 PolarHBondContact O-N 3.28Å; T675-N679 PolarHBondContact O-N 2.74Å; T675-E680 HydrophobicContact CG2-CG 4.37Å; T675-E680 WeakPolarHBondContact O-CB 3.49Å; T675-E680 VanDerWaalsContact O-CG 3.25Å; T675-E680 WeakPolarHBondContact O-CG 3.35Å; T675-E680 PolarHBondContact O-N 3.34Å |
| 676 | Q | 96.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 14% | 0.144 | C | C | . | . | I | π-helix | trans | -75.9 | -43.1 | -172.6 | -71 | 179.4 | -34.7 | 0 | 0 | 113.5 | W601 K672 W673 Y723 | W601-Q676 HydrophobicContact CH2-CB 4.49Å; W601-Q676 HydrophobicContact CZ2-CG 4.45Å; K672-Q676 PolarHBondContact O-N 3Å; W673-Q676 PolarHBondContact O-N 3.46Å; Q676-Y723 PolarHBondContact OE1-OH 3.15Å |
| 677 | Y | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | I | π-helix | trans | -103.1 | -9.2 | -168.4 | -51.5 | -68.1 | 0 | 0 | 0 | 113.8 | W601 W673 L711 Y723 A826 L829 R830 N833 | W601-Y677 HydrophobicContact CH2-CE1 4.02Å; W601-Y677 HydrophobicContact CZ3-CE1 4.27Å; W673-Y677 HydrophobicContact CB-CD2 4.27Å; W673-Y677 AromaticContact CD1-CD2 3.47Å; W673-Y677 VanDerWaalsContact CD1-CD2 3.47Å; W673-Y677 AromaticContact CD1-CE2 3.76Å; W673-Y677 HydrophobicContact CD2-CD2 4.01Å; W673-Y677 AromaticContact CE2-CD2 3.96Å; W673-Y677 AromaticContact CG-CD2 3.7Å; W673-Y677 HydrophobicContact CG-CD2 3.7Å; W673-Y677 HydrophobicContact CG-CE2 4.23Å; W673-Y677 AromaticContact NE1-CD2 3.65Å; W673-Y677 VanDerWaalsContact O-CD2 3.24Å; W673-Y677 WeakPolarHBondContact O-CD2 3.31Å; W673-Y677 PolarHBondContact O-N 2.99Å; Y677-L711 PolarHBondContact O-N 3.47Å; Y677-Y723 HydrophobicContact CE2-CD2 4.1Å; Y677-Y723 HydrophobicContact CE2-CE1 4.35Å; Y677-Y723 AromaticContact CE2-CE2 3.71Å; Y677-Y723 HydrophobicContact CE2-CE2 3.71Å; Y677-Y723 AromaticContact CE2-CZ 3.84Å; Y677-Y723 AromaticContact CZ-CE2 3.95Å; Y677-Y723 VanDerWaalsContact OH-CE2 3.28Å; Y677-Y723 WeakPolarHBondContact OH-CE2 3.36Å; Y677-A826 WeakPolarHBondContact OH-CA 3.02Å; Y677-A826 WeakPolarHBondContact OH-CB 3.24Å; Y677-A826 PolarHBondContact OH-O 2.79Å; Y677-L829 HydrophobicContact CD1-CB 3.63Å; Y677-L829 HydrophobicContact CD2-CB 4.3Å; Y677-L829 HydrophobicContact CD2-CD1 4.01Å; Y677-L829 HydrophobicContact CE1-CB 3.42Å; Y677-L829 VanDerWaalsContact CE1-CB 3.42Å; Y677-L829 HydrophobicContact CE1-CD1 4.39Å; Y677-L829 HydrophobicContact CE2-CB 4.14Å; Y677-L829 HydrophobicContact CE2-CD1 3.6Å; Y677-L829 HydrophobicContact CE2-CG 4.5Å; Y677-L829 HydrophobicContact CG-CB 4.07Å; Y677-R830 HydrophobicContact CE1-CB 4.11Å; Y677-N833 WeakPolarHBondContact CD1-OD1 3.3Å; Y677-N833 PolarHBondContact O-ND2 3.39Å |
| 678 | N | 97.9 | Very high | 95.5 | Very high | 12 Ų | 12 | 34.9 Ų | 34.9 | 6% | 0.064 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -121 | -63.3 | 174.2 | -169.7 | -73.4 | 0 | 0 | 0 | 112.3 | E674 I681 R682 L711 | E674-N678 HydrophobicContact CG-CB 4.34Å; E674-N678 WeakPolarHBondContact O-CA 3.42Å; E674-N678 VanDerWaalsContact O-CB 3.29Å; E674-N678 WeakPolarHBondContact O-CB 3.27Å; E674-N678 PolarHBondContact O-N 3.31Å; E674-N678 VanDerWaalsContact O-N 3.09Å; N678-I681 PolarHBondContact O-N 2.94Å; N678-R682 WeakPolarHBondContact O-CG 3.48Å; N678-R682 PolarHBondContact O-N 3.05Å; N678-R682 WeakPolarHBondContact OD1-CD 3.42Å; N678-L711 PolarHBondContact ND2-O 3.13Å |
| 679 | N | 97 | Very high | 95.3 | Very high | 19 Ų | 19 | 36.3 Ų | 36.3 | 10% | 0.102 | 17% | 0.172 | C | C | . | . | I | π-helix | trans | -66.9 | -49.2 | -167.7 | -61.6 | -23.1 | 0 | 0 | 0 | 112.5 | E674 T675 I681 R682 Q683 F758 | E674-N679 PolarHBondContact O-N 2.89Å; T675-N679 PolarHBondContact O-N 2.74Å; N679-I681 VanDerWaalsContact C-N 3.25Å; N679-I681 PolarHBondContact O-N 3.09Å; N679-R682 PolarHBondContact O-N 2.79Å; N679-Q683 PolarHBondContact O-N 2.69Å; N679-F758 HydrophobicContact CB-CB 4.13Å; N679-F758 HydrophobicContact CB-CD1 3.75Å; N679-F758 HydrophobicContact CB-CD2 3.79Å; N679-F758 HydrophobicContact CB-CE1 4.1Å; N679-F758 HydrophobicContact CB-CE2 4.13Å; N679-F758 HydrophobicContact CB-CG 3.6Å; N679-F758 HydrophobicContact CB-CZ 4.28Å; N679-F758 VanDerWaalsContact CG-CB 3.44Å; N679-F758 VanDerWaalsContact CG-CG 3.49Å; N679-F758 WeakPolarHBondContact O-CE1 3.28Å; N679-F758 WeakPolarHBondContact OD1-CB 3.34Å; N679-F758 WeakPolarHBondContact OD1-CG 3.49Å |
| 680 | E | 94.8 | Very high | 94.9 | Very high | 91 Ų | 91 | 40.6 Ų | 40.6 | 43% | 0.425 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61 | -36.2 | 177.5 | -76.5 | 174.1 | -169 | 0 | 0 | 111.6 | T675 Q683 L684 | T675-E680 HydrophobicContact CG2-CG 4.37Å; T675-E680 WeakPolarHBondContact O-CB 3.49Å; T675-E680 VanDerWaalsContact O-CG 3.25Å; T675-E680 WeakPolarHBondContact O-CG 3.35Å; T675-E680 PolarHBondContact O-N 3.34Å; E680-Q683 WeakPolarHBondContact O-CB 3.35Å; E680-Q683 PolarHBondContact O-N 3.03Å; E680-L684 WeakPolarHBondContact O-CB 3.35Å; E680-L684 PolarHBondContact O-N 2.87Å |
| 681 | I | 96.3 | Very high | 94.3 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.015 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.5 | -42.4 | 175.8 | -57.3 | -62.3 | 0 | 0 | 0 | 111.4 | N678 N679 Q683 L684 L685 P708 P710 N833 Y834 | N678-I681 PolarHBondContact O-N 2.94Å; N679-I681 VanDerWaalsContact C-N 3.25Å; N679-I681 PolarHBondContact O-N 3.09Å; I681-Q683 VanDerWaalsContact C-N 3.3Å; I681-Q683 PolarHBondContact O-N 3.33Å; I681-L684 PolarHBondContact O-N 2.9Å; I681-L685 HydrophobicContact CG2-CD1 4.23Å; I681-L685 WeakPolarHBondContact O-CG 3.33Å; I681-L685 PolarHBondContact O-N 3.42Å; I681-P708 HydrophobicContact CD1-CB 4.3Å; I681-P708 HydrophobicContact CG2-CB 3.9Å; I681-P708 HydrophobicContact CG2-CG 4.14Å; I681-P710 HydrophobicContact CB-CB 4.38Å; I681-P710 HydrophobicContact CG2-CB 4.22Å; I681-N833 HydrophobicContact CD1-CB 4.19Å; I681-N833 HydrophobicContact CG1-CB 4.5Å; I681-Y834 HydrophobicContact CD1-CE2 3.94Å |
| 682 | R | 95.8 | Very high | 94 | Very high | 110 Ų | 110 | 41.2 Ų | 41.2 | 42% | 0.415 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.8 | -36.3 | 174 | -70.5 | 174.2 | 72.9 | -178.4 | 2.7 | 112 | N678 N679 H686 P710 F758 | N678-R682 WeakPolarHBondContact O-CG 3.48Å; N678-R682 PolarHBondContact O-N 3.05Å; N678-R682 WeakPolarHBondContact OD1-CD 3.42Å; N679-R682 PolarHBondContact O-N 2.79Å; R682-H686 WeakPolarHBondContact O-CB 3.31Å; R682-H686 PolarHBondContact O-N 2.8Å; R682-P710 HydrophobicContact CG-CB 3.82Å; R682-P710 HydrophobicContact CG-CG 4.03Å; R682-F758 HydrophobicContact CB-CD1 4.25Å; R682-F758 HydrophobicContact CB-CE1 4.06Å |
| 683 | Q | 94.6 | Very high | 93.5 | Very high | 20 Ų | 20 | 43.8 Ų | 43.8 | 9% | 0.093 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.3 | -44.5 | 173 | -176.1 | 60.7 | 63.9 | 0 | 0 | 111.1 | N679 E680 I681 H686 C687 F758 P760 K761 V764 | N679-Q683 PolarHBondContact O-N 2.69Å; E680-Q683 WeakPolarHBondContact O-CB 3.35Å; E680-Q683 PolarHBondContact O-N 3.03Å; I681-Q683 VanDerWaalsContact C-N 3.3Å; I681-Q683 PolarHBondContact O-N 3.33Å; Q683-H686 WeakPolarHBondContact O-CB 3.23Å; Q683-H686 PolarHBondContact O-N 2.91Å; Q683-C687 PolarHBondContact NE2-SG 2.97Å; Q683-C687 PolarHBondContact O-N 3.19Å; Q683-C687 PolarHBondContact O-SG 3.5Å; Q683-C687 VanDerWaalsContact O-SG 3.37Å; Q683-F758 HydrophobicContact CB-CE1 4.34Å; Q683-F758 HydrophobicContact CB-CZ 4.01Å; Q683-P760 VanDerWaalsContact OE1-CA 3.27Å; Q683-K761 PolarHBondContact NE2-O 2.93Å; Q683-V764 HydrophobicContact CG-CB 4.5Å; Q683-V764 HydrophobicContact CG-CG1 4.24Å |
| 684 | L | 93.3 | Very high | 92.7 | Very high | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.1 | -45.8 | 178.3 | 180 | 61.7 | 0 | 0 | 0 | 111.9 | N590 F591 E680 I681 H686 C687 F688 W701 P708 I766 Y834 | N590-L684 HydrophobicContact CB-CD1 4.48Å; F591-L684 HydrophobicContact CE1-CD1 4.27Å; E680-L684 WeakPolarHBondContact O-CB 3.35Å; E680-L684 PolarHBondContact O-N 2.87Å; I681-L684 PolarHBondContact O-N 2.9Å; L684-H686 VanDerWaalsContact C-N 3.27Å; L684-H686 PolarHBondContact O-N 2.77Å; L684-C687 PolarHBondContact O-N 3.11Å; L684-F688 HydrophobicContact CD1-CD2 3.82Å; L684-F688 HydrophobicContact CD1-CE2 4.23Å; L684-F688 PolarHBondContact O-N 3.47Å; L684-W701 HydrophobicContact CD1-CH2 4.49Å; L684-W701 HydrophobicContact CD2-CH2 4.17Å; L684-W701 HydrophobicContact CG-CH2 4.12Å; L684-P708 HydrophobicContact CD2-CG 3.95Å; L684-I766 HydrophobicContact CB-CD1 4.27Å; L684-I766 HydrophobicContact CD1-CD1 3.58Å; L684-I766 HydrophobicContact CD1-CG2 4.2Å; L684-Y834 WeakPolarHBondContact CD2-OH 3.27Å |
| 685 | L | 93.9 | Very high | 91.8 | Very high | 33 Ų | 33 | 50.4 Ų | 50.4 | 17% | 0.173 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68 | -24.4 | 176.3 | -69.1 | 175.1 | 0 | 0 | 0 | 113.4 | I681 F688 P689 P690 W701 P708 | I681-L685 HydrophobicContact CG2-CD1 4.23Å; I681-L685 WeakPolarHBondContact O-CG 3.33Å; I681-L685 PolarHBondContact O-N 3.42Å; L685-F688 CarbonylContact O-C 3.56Å; L685-F688 VanDerWaalsContact O-C 3.31Å; L685-P689 WeakPolarHBondContact O-CA 3.46Å; L685-P690 HydrophobicContact CD2-CG 4.18Å; L685-W701 HydrophobicContact CD2-CZ2 4.25Å; L685-P708 HydrophobicContact CD2-CG 4.1Å; L685-P708 HydrophobicContact CG-CG 4.39Å |
| 686 | H | 93.2 | Very high | 90.7 | Very high | 85 Ų | 85 | 54.3 Ų | 54.3 | 39% | 0.394 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -72.6 | -39.9 | 171.5 | -177.7 | 72.4 | 0 | 0 | 0 | 111.6 | R682 Q683 L684 P760 S762 | R682-H686 WeakPolarHBondContact O-CB 3.31Å; R682-H686 PolarHBondContact O-N 2.8Å; Q683-H686 WeakPolarHBondContact O-CB 3.23Å; Q683-H686 PolarHBondContact O-N 2.91Å; L684-H686 VanDerWaalsContact C-N 3.27Å; L684-H686 PolarHBondContact O-N 2.77Å; H686-P760 HydrophobicContact CB-CB 3.61Å; H686-P760 HydrophobicContact CB-CG 3.92Å; H686-S762 PolarHBondContact NE2-OG 2.96Å |
| 687 | C | 89.9 | Confident | 89.7 | Confident | 36 Ų | 36 | 56.7 Ų | 56.7 | 24% | 0.243 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -70.5 | -37 | 174.9 | -65.3 | 0 | 0 | 0 | 0 | 112.2 | Q683 L684 I766 | Q683-C687 PolarHBondContact NE2-SG 2.97Å; Q683-C687 PolarHBondContact O-N 3.19Å; Q683-C687 PolarHBondContact O-SG 3.5Å; Q683-C687 VanDerWaalsContact O-SG 3.37Å; L684-C687 PolarHBondContact O-N 3.11Å; C687-I766 HydrophobicContact CB-CD1 3.97Å; C687-I766 HydrophobicContact CB-CG1 4.48Å |
| 688 | F | 90.7 | Very high | 88.7 | Confident | 30 Ų | 30 | 61.9 Ų | 61.9 | 13% | 0.132 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -133.1 | 91.1 | -180 | -54.5 | -71.2 | 0 | 0 | 0 | 110.6 | F591 L684 L685 F700 W701 I766 L768 | F591-F688 HydrophobicContact CZ-CE2 4.33Å; L684-F688 HydrophobicContact CD1-CD2 3.82Å; L684-F688 HydrophobicContact CD1-CE2 4.23Å; L684-F688 PolarHBondContact O-N 3.47Å; L685-F688 CarbonylContact O-C 3.56Å; L685-F688 VanDerWaalsContact O-C 3.31Å; F688-F700 HydrophobicContact CB-CD1 4.1Å; F688-F700 HydrophobicContact CB-CE1 3.77Å; F688-F700 HydrophobicContact CB-CZ 4.22Å; F688-F700 HydrophobicContact CD1-CD2 4.38Å; F688-F700 HydrophobicContact CD1-CE1 4.09Å; F688-F700 AromaticContact CD1-CE2 3.83Å; F688-F700 HydrophobicContact CD1-CE2 3.83Å; F688-F700 AromaticContact CD1-CZ 3.67Å; F688-F700 HydrophobicContact CD1-CZ 3.67Å; F688-F700 HydrophobicContact CD2-CE1 4.28Å; F688-F700 HydrophobicContact CD2-CZ 4.1Å; F688-F700 HydrophobicContact CE1-CE2 4.03Å; F688-F700 HydrophobicContact CE1-CZ 4.01Å; F688-F700 HydrophobicContact CE2-CZ 4.39Å; F688-F700 HydrophobicContact CG-CD1 4.46Å; F688-F700 AromaticContact CG-CE1 3.79Å; F688-F700 HydrophobicContact CG-CE1 3.79Å; F688-F700 HydrophobicContact CG-CE2 4.35Å; F688-F700 AromaticContact CG-CZ 3.72Å; F688-F700 HydrophobicContact CG-CZ 3.72Å; F688-F700 HydrophobicContact CZ-CZ 4.36Å; F688-W701 HydrophobicContact CB-CZ2 3.77Å; F688-W701 WeakPolarHBondContact O-CZ2 3.42Å; F688-W701 PolarHBondContact O-NE1 2.7Å; F688-I766 HydrophobicContact CE2-CB 3.89Å; F688-I766 HydrophobicContact CE2-CG2 3.97Å; F688-I766 HydrophobicContact CZ-CB 4.48Å; F688-L768 HydrophobicContact CE1-CD2 3.99Å; F688-L768 HydrophobicContact CE2-CD2 4.08Å; F688-L768 HydrophobicContact CZ-CD2 3.54Å; F688-L768 HydrophobicContact CZ-CG 4.17Å |
| 689 | P | 92.4 | Very high | 87.7 | Confident | 52 Ų | 52 | 64.6 Ų | 64.6 | 34% | 0.338 | 38% | 0.378 | S | S | . | . | trans | -56.6 | 151.9 | 178.9 | -27.2 | 35.7 | 0 | 0 | 0 | 113.2 | L685 G691 E692 W701 | L685-P689 WeakPolarHBondContact O-CA 3.46Å; P689-G691 PolarHBondContact O-N 3.02Å; P689-G691 VanDerWaalsContact O-N 3.09Å; P689-E692 WeakPolarHBondContact O-CB 3.47Å; P689-E692 PolarHBondContact O-N 3.36Å; P689-W701 PolarHBondContact O-NE1 3.08Å; P689-W701 VanDerWaalsContact O-NE1 3.12Å | ||
| 690 | P | 88.8 | Confident | 87.2 | Confident | 89 Ų | 89 | 64.3 Ų | 64.3 | 58% | 0.578 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -28.5 | 179.7 | -29.1 | 35.5 | 0 | 0 | 0 | 115.5 | L685 | L685-P690 HydrophobicContact CD2-CG 4.18Š|
| 691 | G | 84.8 | Confident | 86.7 | Confident | 67 Ų | 67 | 61 Ų | 61 | 69% | 0.691 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | 8.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115 | P689 | P689-G691 PolarHBondContact O-N 3.02Å; P689-G691 VanDerWaalsContact O-N 3.09Å |
| 692 | E | 88.4 | Confident | 85.6 | Confident | 83 Ų | 83 | 63.8 Ų | 63.8 | 39% | 0.388 | 38% | 0.38 | S | S | . | . | trans | -59.6 | 138 | -177.4 | -171.4 | 68.1 | -167 | 0 | 0 | 111.3 | P689 F700 | P689-E692 WeakPolarHBondContact O-CB 3.47Å; P689-E692 PolarHBondContact O-N 3.36Å; E692-F700 HydrophobicContact CB-CB 3.94Å; E692-F700 HydrophobicContact CG-CB 4.13Å; E692-F700 WeakPolarHBondContact O-CB 3.46Å; E692-F700 PolarHBondContact O-N 3.16Å | ||
| 693 | L | 85.6 | Confident | 84.6 | Confident | 101 Ų | 101 | 60.3 Ų | 60.3 | 53% | 0.529 | 38% | 0.378 | S | S | . | . | B | Isolated β-bridge | trans | -107.8 | 141.3 | 174.7 | -59.7 | 179.8 | 0 | 0 | 0 | 109.8 | L698 | L693-L698 CarbonylContact C-O 3.56Å; L693-L698 WeakPolarHBondContact CA-O 3.32Å |
| 694 | T | 80.8 | Confident | 83.7 | Confident | 47 Ų | 47 | 62.1 Ų | 62.1 | 29% | 0.288 | 39% | 0.393 | S | S | . | . | trans | -66.8 | 167.4 | 169.3 | 61.8 | 0 | 0 | 0 | 0 | 111.1 | N696 G697 L698 | T694-N696 PolarHBondContact O-N 2.82Å; T694-G697 PolarHBondContact O-N 2.78Å; T694-L698 PolarHBondContact N-O 2.79Å; T694-L698 PolarHBondContact OG1-N 2.85Å; T694-L698 PolarHBondContact OG1-O 3.35Å | ||
| 695 | S | 78.9 | Confident | 83.3 | Confident | 122 Ų | 122 | 64.9 Ų | 64.9 | 85% | 0.853 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -22 | 175.2 | 58.7 | 0 | 0 | 0 | 0 | 114.1 | ||
| 696 | N | 73.1 | Confident | 83 | Confident | 136 Ų | 136 | 65.2 Ų | 65.2 | 73% | 0.727 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | 6.9 | -179.7 | -61.3 | -7.1 | 0 | 0 | 0 | 112.6 | T694 L698 | T694-N696 PolarHBondContact O-N 2.82Å; N696-L698 VanDerWaalsContact C-N 3.29Å; N696-L698 PolarHBondContact O-N 2.92Å |
| 697 | G | 76.1 | Confident | 82.9 | Confident | 50 Ų | 50 | 63.2 Ų | 63.2 | 52% | 0.515 | 40% | 0.399 | S | S | . | . | S | Bend | trans | 77.6 | 6.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | T694 | T694-G697 PolarHBondContact O-N 2.78Š|
| 698 | L | 75.7 | Confident | 83.1 | Confident | 109 Ų | 109 | 61.8 Ų | 61.8 | 57% | 0.571 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -86 | 147.9 | 175 | -62.5 | 172.7 | 0 | 0 | 0 | 110.9 | L693 T694 N696 F700 | L693-L698 CarbonylContact C-O 3.56Å; L693-L698 WeakPolarHBondContact CA-O 3.32Å; T694-L698 PolarHBondContact N-O 2.79Å; T694-L698 PolarHBondContact OG1-N 2.85Å; T694-L698 PolarHBondContact OG1-O 3.35Å; N696-L698 VanDerWaalsContact C-N 3.29Å; N696-L698 PolarHBondContact O-N 2.92Å; L698-F700 PolarHBondContact O-N 3.42Å |
| 699 | P | 78.8 | Confident | 83.4 | Confident | 69 Ų | 69 | 63.4 Ų | 63.4 | 45% | 0.448 | 40% | 0.397 | S | S | . | . | B | Isolated β-bridge | trans | -53.1 | 135.4 | 173.2 | -24.8 | 34.3 | 0 | 0 | 0 | 112.3 | S702 | P699-S702 PolarHBondContact O-OG 3.36Å |
| 700 | F | 85.2 | Confident | 83.6 | Confident | 12 Ų | 12 | 63.2 Ų | 63.2 | 5% | 0.053 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -66.4 | -42.1 | 177.5 | 176.3 | -91.6 | 0 | 0 | 0 | 112 | F591 F688 E692 L698 S702 K705 L768 | F591-F700 HydrophobicContact CE1-CE1 4.09Å; F591-F700 HydrophobicContact CE1-CZ 4.06Å; F591-F700 HydrophobicContact CZ-CZ 4.08Å; F688-F700 HydrophobicContact CB-CD1 4.1Å; F688-F700 HydrophobicContact CB-CE1 3.77Å; F688-F700 HydrophobicContact CB-CZ 4.22Å; F688-F700 HydrophobicContact CD1-CD2 4.38Å; F688-F700 HydrophobicContact CD1-CE1 4.09Å; F688-F700 AromaticContact CD1-CE2 3.83Å; F688-F700 HydrophobicContact CD1-CE2 3.83Å; F688-F700 AromaticContact CD1-CZ 3.67Å; F688-F700 HydrophobicContact CD1-CZ 3.67Å; F688-F700 HydrophobicContact CD2-CE1 4.28Å; F688-F700 HydrophobicContact CD2-CZ 4.1Å; F688-F700 HydrophobicContact CE1-CE2 4.03Å; F688-F700 HydrophobicContact CE1-CZ 4.01Å; F688-F700 HydrophobicContact CE2-CZ 4.39Å; F688-F700 HydrophobicContact CG-CD1 4.46Å; F688-F700 AromaticContact CG-CE1 3.79Å; F688-F700 HydrophobicContact CG-CE1 3.79Å; F688-F700 HydrophobicContact CG-CE2 4.35Å; F688-F700 AromaticContact CG-CZ 3.72Å; F688-F700 HydrophobicContact CG-CZ 3.72Å; F688-F700 HydrophobicContact CZ-CZ 4.36Å; E692-F700 HydrophobicContact CB-CB 3.94Å; E692-F700 HydrophobicContact CG-CB 4.13Å; E692-F700 WeakPolarHBondContact O-CB 3.46Å; E692-F700 PolarHBondContact O-N 3.16Å; L698-F700 PolarHBondContact O-N 3.42Å; F700-S702 PolarHBondContact O-N 3.26Å; F700-K705 HydrophobicContact CE1-CD 4.43Å; F700-K705 HydrophobicContact CZ-CD 4.35Å; F700-K705 WeakPolarHBondContact O-CD 3.48Å; F700-L768 HydrophobicContact CE2-CD1 4.34Å; F700-L768 HydrophobicContact CE2-CD2 3.75Å; F700-L768 HydrophobicContact CZ-CD2 3.66Å |
| 701 | W | 84.6 | Confident | 84 | Confident | 22 Ų | 22 | 59.3 Ų | 59.3 | 8% | 0.083 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -88.2 | 75.4 | 178.6 | -58.3 | 106.7 | 0 | 0 | 0 | 111 | F591 L684 L685 F688 P689 K705 R706 C707 P708 | F591-W701 HydrophobicContact CD1-CH2 4.34Å; F591-W701 AromaticContact CD1-CZ3 3.88Å; F591-W701 HydrophobicContact CD1-CZ3 3.88Å; F591-W701 AromaticContact CE1-CH2 3.98Å; F591-W701 HydrophobicContact CE1-CH2 3.98Å; F591-W701 AromaticContact CE1-CZ3 3.93Å; F591-W701 HydrophobicContact CE1-CZ3 3.93Å; L684-W701 HydrophobicContact CD1-CH2 4.49Å; L684-W701 HydrophobicContact CD2-CH2 4.17Å; L684-W701 HydrophobicContact CG-CH2 4.12Å; L685-W701 HydrophobicContact CD2-CZ2 4.25Å; F688-W701 HydrophobicContact CB-CZ2 3.77Å; F688-W701 WeakPolarHBondContact O-CZ2 3.42Å; F688-W701 PolarHBondContact O-NE1 2.7Å; P689-W701 PolarHBondContact O-NE1 3.08Å; P689-W701 VanDerWaalsContact O-NE1 3.12Å; W701-K705 CarbonylContact C-O 3.59Å; W701-K705 VanDerWaalsContact C-O 3.32Å; W701-K705 WeakPolarHBondContact CA-O 3.25Å; W701-K705 HydrophobicContact CE3-CB 4.18Å; W701-R706 WeakPolarHBondContact CZ3-O 3.16Å; W701-C707 HydrophobicContact CB-CB 3.77Å; W701-C707 HydrophobicContact CD2-CB 3.88Å; W701-C707 HydrophobicContact CE3-CB 4.23Å; W701-C707 HydrophobicContact CG-CB 3.69Å; W701-P708 VanDerWaalsContact CH2-CD 3.46Å; W701-P708 HydrophobicContact CH2-CG 4.13Å; W701-P708 HydrophobicContact CZ3-CG 4.49Å |
| 702 | S | 74 | Confident | 84.6 | Confident | 62 Ų | 62 | 61.7 Ų | 61.7 | 43% | 0.434 | 37% | 0.371 | S | S | . | . | trans | -140.1 | 161.3 | 176.7 | 67.2 | 0 | 0 | 0 | 0 | 111.8 | P699 F700 S704 K705 | P699-S702 PolarHBondContact O-OG 3.36Å; F700-S702 PolarHBondContact O-N 3.26Å; S702-S704 PolarHBondContact O-N 3.15Å; S702-K705 PolarHBondContact N-O 2.95Å; S702-K705 PolarHBondContact O-N 2.7Å; S702-K705 VanDerWaalsContact O-N 3.13Å | ||
| 703 | G | 74.1 | Confident | 85 | Confident | 37 Ų | 37 | 59.1 Ų | 59.1 | 38% | 0.381 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | -118.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K705 | G703-K705 PolarHBondContact O-N 2.96Š|
| 704 | S | 76.1 | Confident | 85.5 | Confident | 58 Ų | 58 | 57.5 Ų | 57.5 | 41% | 0.406 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -2.1 | -179.6 | 57.6 | 0 | 0 | 0 | 0 | 115 | H593 S702 | H593-S704 WeakPolarHBondContact CB-O 3.36Å; H593-S704 PolarHBondContact ND1-O 2.96Å; S702-S704 PolarHBondContact O-N 3.15Å |
| 705 | K | 85.1 | Confident | 86.1 | Confident | 62 Ų | 62 | 57.5 Ų | 57.5 | 27% | 0.27 | 35% | 0.351 | S | S | . | . | trans | -107.1 | 90.6 | 176.5 | -65 | 173.9 | -174.6 | 161 | 0 | 110.3 | F591 F700 W701 S702 G703 | F591-K705 HydrophobicContact CB-CG 4.47Å; F591-K705 HydrophobicContact CD1-CG 4.39Å; F591-K705 HydrophobicContact CG-CG 4.42Å; F700-K705 HydrophobicContact CE1-CD 4.43Å; F700-K705 HydrophobicContact CZ-CD 4.35Å; F700-K705 WeakPolarHBondContact O-CD 3.48Å; W701-K705 CarbonylContact C-O 3.59Å; W701-K705 VanDerWaalsContact C-O 3.32Å; W701-K705 WeakPolarHBondContact CA-O 3.25Å; W701-K705 HydrophobicContact CE3-CB 4.18Å; S702-K705 PolarHBondContact N-O 2.95Å; S702-K705 PolarHBondContact O-N 2.7Å; S702-K705 VanDerWaalsContact O-N 3.13Å; G703-K705 PolarHBondContact O-N 2.96Å | ||
| 706 | R | 86.1 | Confident | 86.8 | Confident | 41 Ų | 41 | 57.3 Ų | 57.3 | 16% | 0.155 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 130.4 | 173.6 | -59.9 | -179.5 | 82.2 | 106.2 | 3.1 | 109.2 | E209 H593 W701 P708 Y834 D835 | E209-R706 IonicContact OE1-NH2 3.82Å; E209-R706 IonicContact OE2-CZ 2.77Å; E209-R706 IonicContact OE2-NH1 3.68Å; E209-R706 PolarHBondContact OE2-NH1 3.42Å; E209-R706 VanDerWaalsContact OE2-NH1 3.14Å; E209-R706 IonicContact OE2-NH2 3.88Å; E209-R706 PolarHBondContact OE2-NH2 3.39Å; H593-R706 HydrophobicContact CB-CG 4.01Å; W701-R706 WeakPolarHBondContact CZ3-O 3.16Å; R706-P708 WeakPolarHBondContact O-CD 3.44Å; R706-Y834 HydrophobicContact CB-CD1 4.46Å; R706-Y834 WeakPolarHBondContact CD-O 3.18Å; R706-Y834 PolarHBondContact NE-O 3.16Å; R706-Y834 WeakPolarHBondContact O-CD1 3.4Å; R706-D835 VanDerWaalsContact CZ-O 3.31Å; R706-D835 PolarHBondContact NH2-O 3.42Å |
| 707 | C | 91 | Very high | 87.9 | Confident | 43 Ų | 43 | 53.1 Ų | 53.1 | 29% | 0.291 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 122 | 178.2 | -165.9 | 0 | 0 | 0 | 0 | 109.3 | W701 | W701-C707 HydrophobicContact CB-CB 3.77Å; W701-C707 HydrophobicContact CD2-CB 3.88Å; W701-C707 HydrophobicContact CE3-CB 4.23Å; W701-C707 HydrophobicContact CG-CB 3.69Å |
| 708 | P | 95.4 | Very high | 88.7 | Confident | 6 Ų | 6 | 55 Ų | 55 | 4% | 0.039 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -83.9 | 165.6 | -177.3 | 32.7 | -34.1 | 0 | 0 | 0 | 112.8 | I681 L684 L685 W701 R706 N833 Y834 | I681-P708 HydrophobicContact CD1-CB 4.3Å; I681-P708 HydrophobicContact CG2-CB 3.9Å; I681-P708 HydrophobicContact CG2-CG 4.14Å; L684-P708 HydrophobicContact CD2-CG 3.95Å; L685-P708 HydrophobicContact CD2-CG 4.1Å; L685-P708 HydrophobicContact CG-CG 4.39Å; W701-P708 VanDerWaalsContact CH2-CD 3.46Å; W701-P708 HydrophobicContact CH2-CG 4.13Å; W701-P708 HydrophobicContact CZ3-CG 4.49Å; R706-P708 WeakPolarHBondContact O-CD 3.44Å; P708-N833 CarbonylContact C-O 3.45Å; P708-N833 WeakPolarHBondContact CA-O 3.18Å; P708-N833 WeakPolarHBondContact CB-O 3.39Å; P708-Y834 HydrophobicContact CB-CD1 3.84Å; P708-Y834 HydrophobicContact CB-CD2 4.32Å; P708-Y834 HydrophobicContact CB-CE1 3.66Å; P708-Y834 HydrophobicContact CB-CE2 4.17Å; P708-Y834 HydrophobicContact CB-CG 4.17Å; P708-Y834 HydrophobicContact CG-CD1 4.41Å; P708-Y834 HydrophobicContact CG-CE1 3.88Å |
| 709 | H | 96.1 | Very high | 89.7 | Confident | 63 Ų | 63 | 51.4 Ų | 51.4 | 29% | 0.292 | 30% | 0.303 | S | S | . | . | trans | -132.3 | 143.2 | 168.8 | 58.2 | 83.3 | 0 | 0 | 0 | 111.4 | E832 N833 D835 | H709-E832 PolarHBondContact CE1-O 3.46Å; H709-E832 PolarHBondContact NE2-O 3.14Å; H709-N833 PolarHBondContact N-O 3.46Å; H709-N833 PolarHBondContact O-ND2 2.89Å; H709-D835 IonicContact CD2-OD1 3.96Å; H709-D835 IonicContact CD2-OD2 3.89Å; H709-D835 IonicContact CE1-OD1 2.84Å; H709-D835 IonicContact NE2-OD1 2.68Å; H709-D835 PolarHBondContact NE2-OD1 3.48Å; H709-D835 IonicContact NE2-OD2 3.81Å | ||
| 710 | P | 97.3 | Very high | 90.5 | Very high | 49 Ų | 49 | 48.3 Ų | 48.3 | 32% | 0.318 | 28% | 0.282 | S | S | . | . | trans | -75.2 | 134.4 | -179.3 | 30.5 | -34 | 0 | 0 | 0 | 111.2 | I681 R682 | I681-P710 HydrophobicContact CB-CB 4.38Å; I681-P710 HydrophobicContact CG2-CB 4.22Å; R682-P710 HydrophobicContact CG-CB 3.82Å; R682-P710 HydrophobicContact CG-CG 4.03Å | ||
| 711 | L | 97.8 | Very high | 91.1 | Very high | 7 Ų | 7 | 48.4 Ų | 48.4 | 4% | 0.037 | 28% | 0.283 | C | S | . | . | trans | -84.6 | 151.3 | 178.2 | -58 | -177.7 | 0 | 0 | 0 | 111.6 | W673 Y677 N678 L829 E832 N833 | W673-L711 HydrophobicContact CH2-CB 3.68Å; W673-L711 HydrophobicContact CZ2-CB 3.9Å; W673-L711 HydrophobicContact CZ2-CD1 4.46Å; Y677-L711 PolarHBondContact O-N 3.47Å; N678-L711 PolarHBondContact ND2-O 3.13Å; L711-L829 HydrophobicContact CD1-CD2 4.15Å; L711-E832 HydrophobicContact CD1-CB 4.17Å; L711-E832 HydrophobicContact CD1-CG 4.27Å; L711-E832 HydrophobicContact CD2-CB 4.47Å; L711-E832 HydrophobicContact CD2-CG 3.85Å; L711-N833 WeakPolarHBondContact CG-ND2 3.03Å | ||
| 712 | T | 97.1 | Very high | 91.6 | Very high | 116 Ų | 116 | 51.8 Ų | 51.8 | 71% | 0.712 | 30% | 0.3 | S | S | * | . | trans | -106.2 | 131.4 | 169.4 | -59.1 | 0 | 0 | 0 | 0 | 109.3 | W673 D714 H720 | W673-T712 VanDerWaalsContact CH2-C 3.41Å; T712-D714 PolarHBondContact O-N 3.14Å; T712-H720 PolarHBondContact O-CE1 3.04Å; T712-H720 VanDerWaalsContact O-CE1 3.31Å | ||
| 713 | F | 97.2 | Very high | 92.8 | Very high | 29 Ų | 29 | 48.8 Ų | 48.8 | 13% | 0.127 | 28% | 0.279 | C | S | . | . | trans | -67.9 | 119.5 | -176.9 | -175.1 | -99.8 | 0 | 0 | 0 | 111.3 | R670 W673 P715 H720 V724 L750 | R670-F713 VanDerWaalsContact CZ-CB 3.41Å; R670-F713 VanDerWaalsContact NE-CD1 3.3Å; R670-F713 VanDerWaalsContact NE-CG 3.33Å; W673-F713 HydrophobicContact CD2-CB 4.36Å; W673-F713 AromaticContact CD2-CD2 3.59Å; W673-F713 HydrophobicContact CD2-CD2 3.59Å; W673-F713 HydrophobicContact CD2-CE2 4.42Å; W673-F713 HydrophobicContact CD2-CG 4.43Å; W673-F713 AromaticContact CE2-CD2 3.76Å; W673-F713 HydrophobicContact CE3-CB 3.75Å; W673-F713 AromaticContact CE3-CD2 3.82Å; W673-F713 HydrophobicContact CE3-CD2 3.82Å; W673-F713 HydrophobicContact CE3-CG 4.22Å; W673-F713 HydrophobicContact CG-CD2 4.02Å; W673-F713 HydrophobicContact CG-CE2 4.42Å; W673-F713 VanDerWaalsContact CH2-CA 3.41Å; W673-F713 HydrophobicContact CH2-CB 3.8Å; W673-F713 HydrophobicContact CH2-CD2 4.44Å; W673-F713 HydrophobicContact CZ2-CB 4.34Å; W673-F713 HydrophobicContact CZ2-CD2 4.19Å; W673-F713 HydrophobicContact CZ3-CB 3.47Å; W673-F713 VanDerWaalsContact CZ3-CB 3.47Å; W673-F713 HydrophobicContact CZ3-CD2 4.26Å; W673-F713 HydrophobicContact CZ3-CG 4.37Å; F713-P715 HydrophobicContact CE1-CB 4.04Å; F713-H720 HydrophobicContact CD2-CB 4.24Å; F713-H720 HydrophobicContact CE2-CB 3.98Å; F713-V724 HydrophobicContact CE2-CG2 3.71Å; F713-V724 HydrophobicContact CZ-CG2 3.9Å; F713-L750 HydrophobicContact CE1-CD1 4.06Å; F713-L750 HydrophobicContact CZ-CD1 3.87Å | ||
| 714 | D | 95.7 | Very high | 93.9 | Very high | 68 Ų | 68 | 47 Ų | 47 | 36% | 0.364 | 26% | 0.261 | S | S | . | . | trans | -113.2 | 116 | 168.9 | -179.1 | 5 | 0 | 0 | 0 | 110.8 | T712 N716 N717 H720 | T712-D714 PolarHBondContact O-N 3.14Å; D714-N716 PolarHBondContact O-N 3.43Å; D714-N716 VanDerWaalsContact O-N 3.17Å; D714-N716 WeakPolarHBondContact OD1-CB 3.48Å; D714-N716 PolarHBondContact OD1-N 3.07Å; D714-N717 HydrophobicContact CB-CB 4.05Å; D714-N717 PolarHBondContact O-N 3.13Å; D714-N717 VanDerWaalsContact O-N 3.15Å; D714-H720 PolarHBondContact N-ND1 3.33Å; D714-H720 WeakPolarHBondContact O-CB 3.44Å | ||
| 715 | P | 92.8 | Very high | 94.9 | Very high | 46 Ų | 46 | 45 Ų | 45 | 30% | 0.299 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -10.3 | 176 | 28.8 | -35.6 | 0 | 0 | 0 | 113.9 | F713 K747 | F713-P715 HydrophobicContact CE1-CB 4.04Å; P715-K747 HydrophobicContact CB-CG 4.41Å; P715-K747 WeakPolarHBondContact O-CE 3.29Å; P715-K747 PolarHBondContact O-NZ 3.24Å |
| 716 | N | 93.4 | Very high | 95.5 | Very high | 119 Ų | 119 | 42.1 Ų | 42.1 | 64% | 0.636 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -11.9 | 175 | -60.2 | -49 | 0 | 0 | 0 | 113.2 | D714 K747 | D714-N716 PolarHBondContact O-N 3.43Å; D714-N716 VanDerWaalsContact O-N 3.17Å; D714-N716 WeakPolarHBondContact OD1-CB 3.48Å; D714-N716 PolarHBondContact OD1-N 3.07Å; N716-K747 PolarHBondContact OD1-NZ 3.11Å |
| 717 | N | 95.8 | Very high | 96.1 | Very high | 47 Ų | 47 | 40.1 Ų | 40.1 | 25% | 0.251 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -74.9 | 124.6 | 170.3 | -178.9 | -47.2 | 0 | 0 | 0 | 109.5 | D714 T719 H720 I721 | D714-N717 HydrophobicContact CB-CB 4.05Å; D714-N717 PolarHBondContact O-N 3.13Å; D714-N717 VanDerWaalsContact O-N 3.15Å; N717-T719 PolarHBondContact O-N 3Å; N717-T719 PolarHBondContact OD1-N 2.81Å; N717-H720 HydrophobicContact CB-CB 4.05Å; N717-H720 PolarHBondContact ND2-CD2 2.9Å; N717-H720 PolarHBondContact ND2-NE2 2.93Å; N717-H720 PolarHBondContact O-N 3.47Å; N717-H720 PolarHBondContact OD1-CD2 3.36Å; N717-H720 VanDerWaalsContact OD1-CD2 3.23Å; N717-H720 PolarHBondContact OD1-N 2.76Å; N717-I721 PolarHBondContact O-N 3.4Å; N717-I721 VanDerWaalsContact O-N 3.11Å |
| 718 | T | 94.4 | Very high | 96.4 | Very high | 89 Ų | 89 | 38.1 Ų | 38.1 | 55% | 0.546 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -55.9 | -49.9 | -177.4 | -54.5 | 0 | 0 | 0 | 0 | 112.4 | H720 I721 E722 | T718-H720 VanDerWaalsContact C-N 3.29Å; T718-H720 PolarHBondContact O-N 2.98Å; T718-I721 VanDerWaalsContact O-CG2 3.25Å; T718-I721 WeakPolarHBondContact O-CG2 3.21Å; T718-I721 PolarHBondContact O-N 2.6Å; T718-E722 HydrophobicContact CG2-CG 4.3Å; T718-E722 WeakPolarHBondContact CG2-OE1 3.24Å; T718-E722 WeakPolarHBondContact O-CB 3.36Å; T718-E722 VanDerWaalsContact O-CG 3.24Å; T718-E722 WeakPolarHBondContact O-CG 3.33Å; T718-E722 PolarHBondContact O-N 3.24Å |
| 719 | T | 95.3 | Very high | 96.6 | Very high | 35 Ų | 35 | 38.2 Ų | 38.2 | 22% | 0.215 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.7 | -37 | -178.1 | -45.6 | 0 | 0 | 0 | 0 | 111.5 | N717 Y723 A825 N828 L829 | N717-T719 PolarHBondContact O-N 3Å; N717-T719 PolarHBondContact OD1-N 2.81Å; T719-Y723 PolarHBondContact O-N 2.86Å; T719-A825 HydrophobicContact CG2-CB 4.41Å; T719-N828 HydrophobicContact CG2-CB 3.96Å; T719-L829 HydrophobicContact CG2-CD2 4.24Å; T719-L829 HydrophobicContact CG2-CG 3.92Å |
| 720 | H | 97.3 | Very high | 96.6 | Very high | 4 Ų | 4 | 35.2 Ų | 35.2 | 2% | 0.019 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.3 | -46.4 | -179.5 | -68.4 | -149.1 | 0 | 0 | 0 | 111.5 | W673 T712 F713 D714 N717 T718 V724 L829 | W673-H720 AromaticContact CZ2-CE1 3.51Å; W673-H720 AromaticContact CZ2-ND1 3.49Å; W673-H720 WeakPolarHBondContact CZ2-ND1 3.34Å; T712-H720 PolarHBondContact O-CE1 3.04Å; T712-H720 VanDerWaalsContact O-CE1 3.31Å; F713-H720 HydrophobicContact CD2-CB 4.24Å; F713-H720 HydrophobicContact CE2-CB 3.98Å; D714-H720 PolarHBondContact N-ND1 3.33Å; D714-H720 WeakPolarHBondContact O-CB 3.44Å; N717-H720 HydrophobicContact CB-CB 4.05Å; N717-H720 PolarHBondContact ND2-CD2 2.9Å; N717-H720 PolarHBondContact ND2-NE2 2.93Å; N717-H720 PolarHBondContact O-N 3.47Å; N717-H720 PolarHBondContact OD1-CD2 3.36Å; N717-H720 VanDerWaalsContact OD1-CD2 3.23Å; N717-H720 PolarHBondContact OD1-N 2.76Å; T718-H720 VanDerWaalsContact C-N 3.29Å; T718-H720 PolarHBondContact O-N 2.98Å; H720-V724 PolarHBondContact O-N 3.19Å; H720-L829 WeakPolarHBondContact CD2-CD2 3.4Å |
| 721 | I | 96.6 | Very high | 96.7 | Very high | 13 Ų | 13 | 33.3 Ų | 33.3 | 7% | 0.067 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -70.8 | -38.1 | 179.4 | -167.3 | 63.2 | 0 | 0 | 0 | 111.3 | N717 T718 Y723 V724 V725 I746 K747 L750 | N717-I721 PolarHBondContact O-N 3.4Å; N717-I721 VanDerWaalsContact O-N 3.11Å; T718-I721 VanDerWaalsContact O-CG2 3.25Å; T718-I721 WeakPolarHBondContact O-CG2 3.21Å; T718-I721 PolarHBondContact O-N 2.6Å; I721-Y723 VanDerWaalsContact C-N 3.33Å; I721-Y723 PolarHBondContact O-N 2.95Å; I721-V724 PolarHBondContact O-N 2.81Å; I721-V724 VanDerWaalsContact O-N 3.14Å; I721-V725 HydrophobicContact CG1-CG2 4.33Å; I721-V725 WeakPolarHBondContact O-CG2 3.34Å; I721-V725 PolarHBondContact O-N 2.87Å; I721-I746 HydrophobicContact CD1-CG2 4.11Å; I721-K747 HydrophobicContact CD1-CG 4.04Å; I721-L750 HydrophobicContact CD1-CD1 3.72Å |
| 722 | E | 95.6 | Very high | 96.6 | Very high | 93 Ų | 93 | 33 Ų | 33 | 44% | 0.435 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -60.6 | -40.8 | 176 | -77.1 | 176.4 | 171.8 | 0 | 0 | 112.3 | T718 V724 V725 A726 A825 | T718-E722 HydrophobicContact CG2-CG 4.3Å; T718-E722 WeakPolarHBondContact CG2-OE1 3.24Å; T718-E722 WeakPolarHBondContact O-CB 3.36Å; T718-E722 VanDerWaalsContact O-CG 3.24Å; T718-E722 WeakPolarHBondContact O-CG 3.33Å; T718-E722 PolarHBondContact O-N 3.24Å; E722-V724 PolarHBondContact O-N 3.34Å; E722-V725 PolarHBondContact O-N 3.49Å; E722-A726 WeakPolarHBondContact O-CB 3.25Å; E722-A726 PolarHBondContact O-N 3.34Å; E722-A825 HydrophobicContact CB-CB 4.22Å |
| 723 | Y | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.4 | -49.2 | 172.3 | 173.9 | -86.9 | 0 | 0 | 0 | 111.3 | K672 W673 Q676 Y677 T719 I721 V725 A726 A727 Y822 A826 L829 | K672-Y723 WeakPolarHBondContact CG-OH 3.41Å; W673-Y723 HydrophobicContact CB-CD1 4.02Å; W673-Y723 HydrophobicContact CB-CE1 3.69Å; W673-Y723 AromaticContact CD1-CD1 3.59Å; W673-Y723 HydrophobicContact CG-CD1 4.21Å; W673-Y723 HydrophobicContact CG-CE1 4.29Å; Q676-Y723 PolarHBondContact OE1-OH 3.15Å; Y677-Y723 HydrophobicContact CE2-CD2 4.1Å; Y677-Y723 HydrophobicContact CE2-CE1 4.35Å; Y677-Y723 AromaticContact CE2-CE2 3.71Å; Y677-Y723 HydrophobicContact CE2-CE2 3.71Å; Y677-Y723 AromaticContact CE2-CZ 3.84Å; Y677-Y723 AromaticContact CZ-CE2 3.95Å; Y677-Y723 VanDerWaalsContact OH-CE2 3.28Å; Y677-Y723 WeakPolarHBondContact OH-CE2 3.36Å; T719-Y723 PolarHBondContact O-N 2.86Å; I721-Y723 VanDerWaalsContact C-N 3.33Å; I721-Y723 PolarHBondContact O-N 2.95Å; Y723-V725 PolarHBondContact O-N 3Å; Y723-A726 PolarHBondContact O-N 3.37Å; Y723-A727 HydrophobicContact CD1-CB 4.41Å; Y723-A727 HydrophobicContact CE1-CB 4.12Å; Y723-A727 WeakPolarHBondContact O-CB 3.21Å; Y723-A727 PolarHBondContact O-N 2.99Å; Y723-Y822 HydrophobicContact CD2-CE2 4.37Å; Y723-Y822 HydrophobicContact CE2-CD2 4.43Å; Y723-Y822 AromaticContact CE2-CE2 3.79Å; Y723-Y822 HydrophobicContact CE2-CE2 3.79Å; Y723-A826 HydrophobicContact CD2-CB 3.92Å; Y723-A826 HydrophobicContact CE2-CB 3.91Å; Y723-L829 HydrophobicContact CD2-CD1 3.82Å; Y723-L829 HydrophobicContact CG-CD1 3.72Å |
| 724 | V | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.4 | -43.8 | -178.6 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | V666 A669 F713 H720 I721 E722 A728 I746 L750 | V666-V724 HydrophobicContact CG1-CG1 4.23Å; A669-V724 HydrophobicContact CB-CG1 4.19Å; F713-V724 HydrophobicContact CE2-CG2 3.71Å; F713-V724 HydrophobicContact CZ-CG2 3.9Å; H720-V724 PolarHBondContact O-N 3.19Å; I721-V724 PolarHBondContact O-N 2.81Å; I721-V724 VanDerWaalsContact O-N 3.14Å; E722-V724 PolarHBondContact O-N 3.34Å; V724-A728 WeakPolarHBondContact O-CB 3.37Å; V724-A728 PolarHBondContact O-N 2.92Å; V724-I746 HydrophobicContact CG1-CG2 3.95Å; V724-L750 HydrophobicContact CG1-CD1 4.27Å; V724-L750 HydrophobicContact CG1-CD2 4.13Å |
| 725 | V | 97.4 | Very high | 96.5 | Very high | 15 Ų | 15 | 27.1 Ų | 27.1 | 9% | 0.091 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.5 | -53.7 | 177.5 | 172.8 | 0 | 0 | 0 | 0 | 110 | I721 E722 Y723 N729 I746 F818 | I721-V725 HydrophobicContact CG1-CG2 4.33Å; I721-V725 WeakPolarHBondContact O-CG2 3.34Å; I721-V725 PolarHBondContact O-N 2.87Å; E722-V725 PolarHBondContact O-N 3.49Å; Y723-V725 PolarHBondContact O-N 3Å; V725-N729 WeakPolarHBondContact O-CB 3.38Å; V725-N729 PolarHBondContact O-N 3.36Å; V725-N729 VanDerWaalsContact O-N 3.15Å; V725-N729 PolarHBondContact O-ND2 3.42Å; V725-I746 HydrophobicContact CB-CD1 4.31Å; V725-I746 HydrophobicContact CG1-CD1 4.37Å; V725-I746 HydrophobicContact CG2-CD1 3.65Å; V725-F818 HydrophobicContact CG1-CE1 4.38Å |
| 726 | A | 97.7 | Very high | 96.6 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.008 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.3 | -48.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | E722 Y723 A728 N729 L730 F818 D821 | E722-A726 WeakPolarHBondContact O-CB 3.25Å; E722-A726 PolarHBondContact O-N 3.34Å; Y723-A726 PolarHBondContact O-N 3.37Å; A726-A728 PolarHBondContact O-N 3.41Å; A726-N729 PolarHBondContact O-N 2.81Å; A726-L730 VanDerWaalsContact O-CG 3.26Å; A726-L730 WeakPolarHBondContact O-CG 3.18Å; A726-L730 PolarHBondContact O-N 3.48Å; A726-F818 HydrophobicContact CB-CB 4.28Å; A726-D821 HydrophobicContact CB-CB 3.88Å |
| 727 | A | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.8 | -42.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | W668 A669 Y723 Y731 Y822 | W668-A727 HydrophobicContact CZ3-CB 4.13Å; A669-A727 HydrophobicContact CB-CB 3.93Å; Y723-A727 HydrophobicContact CD1-CB 4.41Å; Y723-A727 HydrophobicContact CE1-CB 4.12Å; Y723-A727 WeakPolarHBondContact O-CB 3.21Å; Y723-A727 PolarHBondContact O-N 2.99Å; A727-Y731 WeakPolarHBondContact O-CB 3.43Å; A727-Y731 PolarHBondContact O-N 2.82Å; A727-Y822 HydrophobicContact CB-CD2 3.94Å; A727-Y822 HydrophobicContact CB-CE2 3.97Å |
| 728 | A | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.6 | -41.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | W662 C665 V666 A669 V724 A726 Y731 G732 | W662-A728 HydrophobicContact CH2-CB 3.66Å; W662-A728 HydrophobicContact CZ2-CB 4.31Å; W662-A728 HydrophobicContact CZ3-CB 4.04Å; W662-A728 WeakPolarHBondContact CZ3-O 3.16Å; C665-A728 HydrophobicContact CB-CB 4.34Å; V666-A728 HydrophobicContact CG2-CB 4.17Å; A669-A728 HydrophobicContact CB-CB 3.98Å; V724-A728 WeakPolarHBondContact O-CB 3.37Å; V724-A728 PolarHBondContact O-N 2.92Å; A726-A728 PolarHBondContact O-N 3.41Å; A728-Y731 PolarHBondContact O-N 2.94Å; A728-G732 PolarHBondContact O-N 2.84Å |
| 729 | N | 98.2 | Very high | 96.5 | Very high | 8 Ų | 8 | 27 Ų | 27 | 4% | 0.043 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.5 | -48 | 177.2 | -84.3 | -77.7 | 0 | 0 | 0 | 111.5 | W662 V725 A726 Y731 G732 Q733 G739 T740 F818 | W662-N729 HydrophobicContact CH2-CB 4.4Å; V725-N729 WeakPolarHBondContact O-CB 3.38Å; V725-N729 PolarHBondContact O-N 3.36Å; V725-N729 VanDerWaalsContact O-N 3.15Å; V725-N729 PolarHBondContact O-ND2 3.42Å; A726-N729 PolarHBondContact O-N 2.81Å; N729-Y731 VanDerWaalsContact C-N 3.3Å; N729-Y731 PolarHBondContact O-N 2.99Å; N729-G732 PolarHBondContact O-N 3.3Å; N729-Q733 VanDerWaalsContact O-CG 3.3Å; N729-Q733 WeakPolarHBondContact O-CG 3.47Å; N729-Q733 PolarHBondContact O-N 3.12Å; N729-G739 VanDerWaalsContact OD1-CA 3.3Å; N729-G739 WeakPolarHBondContact OD1-CA 3.47Å; N729-T740 PolarHBondContact ND2-O 2.97Å; N729-T740 PolarHBondContact OD1-N 3.44Å; N729-F818 HydrophobicContact CB-CD1 4.32Å; N729-F818 HydrophobicContact CB-CD2 3.82Å; N729-F818 HydrophobicContact CB-CE1 4.27Å; N729-F818 HydrophobicContact CB-CE2 3.83Å; N729-F818 HydrophobicContact CB-CG 4.07Å; N729-F818 HydrophobicContact CB-CZ 4.04Å |
| 730 | L | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.2 | -39.6 | 177.2 | -65.6 | 169.8 | 0 | 0 | 0 | 111.6 | F606 F610 A726 Q733 I734 I808 F818 Y822 | F606-L730 HydrophobicContact CD2-CD1 4.05Å; F606-L730 HydrophobicContact CE2-CD1 3.74Å; F606-L730 HydrophobicContact CE2-CD2 4.15Å; F610-L730 HydrophobicContact CD1-CB 3.75Å; F610-L730 HydrophobicContact CD2-CB 4.23Å; F610-L730 HydrophobicContact CD2-CD1 4Å; F610-L730 HydrophobicContact CE1-CB 3.56Å; F610-L730 HydrophobicContact CE2-CB 4.07Å; F610-L730 HydrophobicContact CE2-CD1 3.66Å; F610-L730 HydrophobicContact CG-CB 4.09Å; F610-L730 HydrophobicContact CZ-CB 3.73Å; F610-L730 HydrophobicContact CZ-CD1 4.01Å; A726-L730 VanDerWaalsContact O-CG 3.26Å; A726-L730 WeakPolarHBondContact O-CG 3.18Å; A726-L730 PolarHBondContact O-N 3.48Å; L730-Q733 PolarHBondContact O-N 2.59Å; L730-I734 PolarHBondContact O-N 2.94Å; L730-I808 HydrophobicContact CB-CD1 4.41Å; L730-I808 HydrophobicContact CD2-CD1 4Å; L730-F818 HydrophobicContact CD2-CB 4.19Å; L730-F818 HydrophobicContact CG-CB 4.19Å; L730-Y822 HydrophobicContact CD1-CD2 4.29Å; L730-Y822 HydrophobicContact CD1-CG 3.91Å |
| 731 | Y | 97.5 | Very high | 96.2 | Very high | 10 Ų | 10 | 33.4 Ų | 33.4 | 4% | 0.039 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.2 | -39.2 | 175.6 | -160 | -110.7 | 0 | 0 | 0 | 112.6 | F610 M652 H657 P659 C665 W668 A727 A728 N729 I734 Y735 | F610-Y731 HydrophobicContact CE1-CD2 4.45Å; M652-Y731 HydrophobicContact CE-CE1 4.08Å; H657-Y731 WeakPolarHBondContact CB-OH 3.43Å; H657-Y731 PolarHBondContact O-OH 2.85Å; P659-Y731 HydrophobicContact CB-CE1 4.43Å; P659-Y731 HydrophobicContact CG-CD1 4.28Å; P659-Y731 HydrophobicContact CG-CE1 3.94Å; C665-Y731 HydrophobicContact CB-CD1 4.41Å; W668-Y731 HydrophobicContact CB-CD1 4.16Å; W668-Y731 HydrophobicContact CB-CE1 4.02Å; W668-Y731 AromaticContact CD1-CE1 3.86Å; W668-Y731 AromaticContact CD1-CZ 3.64Å; W668-Y731 AromaticContact CD2-CD1 3.78Å; W668-Y731 HydrophobicContact CD2-CD1 3.78Å; W668-Y731 AromaticContact CD2-CD2 3.72Å; W668-Y731 HydrophobicContact CD2-CD2 3.72Å; W668-Y731 AromaticContact CD2-CE1 3.87Å; W668-Y731 HydrophobicContact CD2-CE1 3.87Å; W668-Y731 AromaticContact CD2-CE2 3.81Å; W668-Y731 HydrophobicContact CD2-CE2 3.81Å; W668-Y731 AromaticContact CD2-CG 3.69Å; W668-Y731 HydrophobicContact CD2-CG 3.69Å; W668-Y731 AromaticContact CD2-CZ 3.86Å; W668-Y731 AromaticContact CE2-CD2 3.63Å; W668-Y731 AromaticContact CE2-CE2 3.43Å; W668-Y731 VanDerWaalsContact CE2-CE2 3.43Å; W668-Y731 AromaticContact CE2-CZ 3.75Å; W668-Y731 AromaticContact CE3-CD1 3.86Å; W668-Y731 HydrophobicContact CE3-CD1 3.86Å; W668-Y731 AromaticContact CE3-CD2 3.72Å; W668-Y731 HydrophobicContact CE3-CD2 3.72Å; W668-Y731 HydrophobicContact CE3-CE1 4.41Å; W668-Y731 HydrophobicContact CE3-CE2 4.3Å; W668-Y731 AromaticContact CE3-CG 3.46Å; W668-Y731 HydrophobicContact CE3-CG 3.46Å; W668-Y731 VanDerWaalsContact CE3-CG 3.46Å; W668-Y731 AromaticContact CG-CD1 3.91Å; W668-Y731 HydrophobicContact CG-CD1 3.91Å; W668-Y731 HydrophobicContact CG-CD2 4.5Å; W668-Y731 AromaticContact CG-CE1 3.64Å; W668-Y731 HydrophobicContact CG-CE1 3.64Å; W668-Y731 HydrophobicContact CG-CE2 4.28Å; W668-Y731 HydrophobicContact CG-CG 4.32Å; W668-Y731 AromaticContact CG-CZ 3.83Å; W668-Y731 AromaticContact CH2-CD2 3.63Å; W668-Y731 HydrophobicContact CH2-CD2 3.63Å; W668-Y731 HydrophobicContact CH2-CE2 4.17Å; W668-Y731 HydrophobicContact CH2-CG 4.18Å; W668-Y731 AromaticContact CZ2-CD2 3.61Å; W668-Y731 HydrophobicContact CZ2-CD2 3.61Å; W668-Y731 AromaticContact CZ2-CE2 3.65Å; W668-Y731 HydrophobicContact CZ2-CE2 3.65Å; W668-Y731 HydrophobicContact CZ2-CG 4.36Å; W668-Y731 AromaticContact CZ3-CD2 3.69Å; W668-Y731 HydrophobicContact CZ3-CD2 3.69Å; W668-Y731 HydrophobicContact CZ3-CE2 4.47Å; W668-Y731 AromaticContact CZ3-CG 3.73Å; W668-Y731 HydrophobicContact CZ3-CG 3.73Å; W668-Y731 AromaticContact NE1-CE2 3.66Å; W668-Y731 AromaticContact NE1-CZ 3.58Å; A727-Y731 WeakPolarHBondContact O-CB 3.43Å; A727-Y731 PolarHBondContact O-N 2.82Å; A728-Y731 PolarHBondContact O-N 2.94Å; N729-Y731 VanDerWaalsContact C-N 3.3Å; N729-Y731 PolarHBondContact O-N 2.99Å; Y731-I734 HydrophobicContact CD2-CD1 3.83Å; Y731-I734 HydrophobicContact CD2-CG1 4.41Å; Y731-I734 HydrophobicContact CE2-CD1 4.01Å; Y731-I734 WeakPolarHBondContact O-CG1 3.13Å; Y731-Y735 HydrophobicContact CD1-CD2 4.46Å; Y731-Y735 HydrophobicContact CD1-CE2 4.46Å; Y731-Y735 HydrophobicContact CD2-CE2 4.4Å; Y731-Y735 HydrophobicContact CE1-CD2 4.22Å; Y731-Y735 AromaticContact CE1-CE2 3.88Å; Y731-Y735 HydrophobicContact CE1-CE2 3.88Å; Y731-Y735 AromaticContact CE2-CE2 3.81Å; Y731-Y735 HydrophobicContact CE2-CE2 3.81Å; Y731-Y735 AromaticContact CZ-CE2 3.53Å; Y731-Y735 WeakPolarHBondContact O-CD2 3.45Å |
| 732 | G | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.9 | -46.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A728 N729 I734 Y735 G736 I737 | A728-G732 PolarHBondContact O-N 2.84Å; N729-G732 PolarHBondContact O-N 3.3Å; G732-I734 PolarHBondContact O-N 3.42Å; G732-Y735 CarbonylContact O-C 3.53Å; G732-Y735 PolarHBondContact O-N 3.2Å; G732-G736 PolarHBondContact O-N 3.3Å; G732-I737 CarbonylContact C-O 3.58Å; G732-I737 VanDerWaalsContact C-O 3.24Å; G732-I737 PolarHBondContact O-N 3.3Å |
| 733 | Q | 96.4 | Very high | 95.7 | Very high | 69 Ų | 69 | 34.9 Ų | 34.9 | 32% | 0.322 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -56.4 | -45.7 | -179.9 | -74 | 172.1 | 11.6 | 0 | 0 | 112.8 | N729 L730 Y735 G736 I808 | N729-Q733 VanDerWaalsContact O-CG 3.3Å; N729-Q733 WeakPolarHBondContact O-CG 3.47Å; N729-Q733 PolarHBondContact O-N 3.12Å; L730-Q733 PolarHBondContact O-N 2.59Å; Q733-Y735 PolarHBondContact O-N 2.81Å; Q733-Y735 VanDerWaalsContact O-N 3.15Å; Q733-G736 PolarHBondContact O-N 3.13Å; Q733-I808 HydrophobicContact CB-CD1 3.84Å |
| 734 | I | 96.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.8 | -20.5 | -179.9 | 64.9 | 170.2 | 0 | 0 | 0 | 113.7 | F610 P614 L730 Y731 G732 M805 Y806 I808 | F610-I734 HydrophobicContact CB-CG2 4.24Å; F610-I734 HydrophobicContact CD1-CD1 4.45Å; F610-I734 HydrophobicContact CD1-CG2 4.38Å; P614-I734 HydrophobicContact CG-CB 4Å; P614-I734 HydrophobicContact CG-CD1 4.32Å; P614-I734 HydrophobicContact CG-CG2 3.94Å; L730-I734 PolarHBondContact O-N 2.94Å; Y731-I734 HydrophobicContact CD2-CD1 3.83Å; Y731-I734 HydrophobicContact CD2-CG1 4.41Å; Y731-I734 HydrophobicContact CE2-CD1 4.01Å; Y731-I734 WeakPolarHBondContact O-CG1 3.13Å; G732-I734 PolarHBondContact O-N 3.42Å; I734-M805 HydrophobicContact CB-CE 4.33Å; I734-M805 HydrophobicContact CD1-CE 3.79Å; I734-M805 HydrophobicContact CG1-CE 4.12Å; I734-M805 WeakPolarHBondContact O-CA 3.39Å; I734-M805 WeakPolarHBondContact O-CB 3.27Å; I734-Y806 WeakPolarHBondContact CA-O 3.44Å; I734-Y806 WeakPolarHBondContact CG2-O 3.35Å; I734-Y806 PolarHBondContact O-N 3.45Å; I734-I808 HydrophobicContact CG2-CD1 3.59Å; I734-I808 HydrophobicContact CG2-CG1 3.84Å |
| 735 | Y | 95.1 | Very high | 95 | Very high | 19 Ų | 19 | 39.3 Ų | 39.3 | 8% | 0.075 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -104.9 | -0.4 | 174.9 | -71.7 | -79.9 | 0 | 0 | 0 | 113.7 | S648 R658 P659 Y731 G732 Q733 M805 | S648-Y735 PolarHBondContact O-OH 3.44Å; R658-Y735 HydrophobicContact CB-CE1 4.25Å; R658-Y735 HydrophobicContact CG-CD1 4.05Å; R658-Y735 HydrophobicContact CG-CE1 3.86Å; P659-Y735 VanDerWaalsContact CD-CD2 3.42Å; P659-Y735 HydrophobicContact CG-CD1 4.4Å; P659-Y735 HydrophobicContact CG-CD2 3.55Å; P659-Y735 HydrophobicContact CG-CE2 4.14Å; P659-Y735 HydrophobicContact CG-CG 3.72Å; Y731-Y735 HydrophobicContact CD1-CD2 4.46Å; Y731-Y735 HydrophobicContact CD1-CE2 4.46Å; Y731-Y735 HydrophobicContact CD2-CE2 4.4Å; Y731-Y735 HydrophobicContact CE1-CD2 4.22Å; Y731-Y735 AromaticContact CE1-CE2 3.88Å; Y731-Y735 HydrophobicContact CE1-CE2 3.88Å; Y731-Y735 AromaticContact CE2-CE2 3.81Å; Y731-Y735 HydrophobicContact CE2-CE2 3.81Å; Y731-Y735 AromaticContact CZ-CE2 3.53Å; Y731-Y735 WeakPolarHBondContact O-CD2 3.45Å; G732-Y735 CarbonylContact O-C 3.53Å; G732-Y735 PolarHBondContact O-N 3.2Å; Q733-Y735 PolarHBondContact O-N 2.81Å; Q733-Y735 VanDerWaalsContact O-N 3.15Å; Y735-M805 HydrophobicContact CD1-CE 4.19Å; Y735-M805 HydrophobicContact CD1-CG 4.34Å; Y735-M805 HydrophobicContact CD2-CE 4.33Å; Y735-M805 HydrophobicContact CE1-CE 3.62Å; Y735-M805 HydrophobicContact CE1-CG 4.22Å; Y735-M805 HydrophobicContact CE1-SD 3.85Å; Y735-M805 HydrophobicContact CE2-CE 3.77Å |
| 736 | G | 94.2 | Very high | 94.9 | Very high | 55 Ų | 55 | 38.6 Ų | 38.6 | 57% | 0.567 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 28.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | G732 Q733 | G732-G736 PolarHBondContact O-N 3.3Å; Q733-G736 PolarHBondContact O-N 3.13Å |
| 737 | I | 95.2 | Very high | 94.6 | Very high | 34 Ų | 34 | 41.5 Ų | 41.5 | 17% | 0.174 | 24% | 0.238 | C | C | . | . | trans | -99.6 | 128.3 | 175.3 | -59.8 | 177.4 | 0 | 0 | 0 | 109 | P659 W662 G732 | P659-I737 HydrophobicContact CB-CD1 3.85Å; P659-I737 HydrophobicContact CG-CD1 3.72Å; W662-I737 HydrophobicContact CB-CG2 4.4Å; G732-I737 CarbonylContact C-O 3.58Å; G732-I737 VanDerWaalsContact C-O 3.24Å; G732-I737 PolarHBondContact O-N 3.3Å | ||
| 738 | E | 93.3 | Very high | 94.4 | Very high | 180 Ų | 180 | 45.9 Ų | 45.9 | 84% | 0.841 | 26% | 0.261 | S | S | * | . | trans | -72.6 | 131 | 177.6 | -166.8 | 174.1 | -173 | 0 | 0 | 111 | ||||
| 739 | G | 93.4 | Very high | 94.1 | Very high | 30 Ų | 30 | 47 Ų | 47 | 31% | 0.309 | 27% | 0.268 | S | S | . | . | trans | -105.7 | -174.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | W662 N729 | W662-G739 VanDerWaalsContact CE3-CA 3.43Å; N729-G739 VanDerWaalsContact OD1-CA 3.3Å; N729-G739 WeakPolarHBondContact OD1-CA 3.47Å | ||
| 740 | T | 93.1 | Very high | 93.9 | Very high | 48 Ų | 48 | 47.4 Ų | 47.4 | 29% | 0.294 | 27% | 0.27 | S | S | . | . | trans | -139 | 154.8 | 179.5 | -175.6 | 0 | 0 | 0 | 0 | 112.4 | W662 N729 D742 I746 | W662-T740 HydrophobicContact CZ2-CG2 3.83Å; N729-T740 PolarHBondContact ND2-O 2.97Å; N729-T740 PolarHBondContact OD1-N 3.44Å; T740-D742 HydrophobicContact CG2-CB 4.5Å; T740-D742 PolarHBondContact OG1-N 3.22Å; T740-D742 VanDerWaalsContact OG1-N 3.07Å; T740-I746 HydrophobicContact CG2-CD1 4.25Å; T740-I746 HydrophobicContact CG2-CG1 4.15Å | ||
| 741 | R | 92.6 | Very high | 93.6 | Very high | 126 Ų | 126 | 55.1 Ų | 55.1 | 48% | 0.475 | 31% | 0.306 | S | S | . | . | trans | -94.6 | -2.3 | 169.1 | -71.8 | -175 | 175.1 | -97.4 | 1.3 | 112.9 | C743 S816 F818 D821 | R741-C743 PolarHBondContact O-N 2.77Å; R741-S816 VanDerWaalsContact NH2-C 3.34Å; R741-S816 PolarHBondContact NH2-O 2.96Å; R741-F818 HydrophobicContact CG-CE1 3.64Å; R741-F818 HydrophobicContact CG-CZ 3.66Å; R741-F818 VanDerWaalsContact NE-CZ 3.32Å; R741-F818 VanDerWaalsContact NH2-CE1 3.33Å; R741-D821 IonicContact NH1-OD2 3.73Å; R741-D821 IonicContact NH2-OD2 3.05Å | ||
| 742 | D | 92.2 | Very high | 93.3 | Very high | 82 Ų | 82 | 64.9 Ų | 64.9 | 44% | 0.439 | 34% | 0.343 | S | S | . | . | trans | -71.6 | 98.7 | -179.5 | -176.9 | -3.5 | 0 | 0 | 0 | 111.3 | T740 A744 A745 I746 | T740-D742 HydrophobicContact CG2-CB 4.5Å; T740-D742 PolarHBondContact OG1-N 3.22Å; T740-D742 VanDerWaalsContact OG1-N 3.07Å; D742-A744 PolarHBondContact O-N 2.9Å; D742-A744 WeakPolarHBondContact OD1-CB 3.38Å; D742-A744 PolarHBondContact OD1-N 2.93Å; D742-A745 HydrophobicContact CB-CB 4Å; D742-A745 PolarHBondContact O-N 3.05Å; D742-A745 PolarHBondContact OD1-N 3.18Å; D742-I746 WeakPolarHBondContact O-CG1 3.48Å; D742-I746 PolarHBondContact O-N 3.39Å; D742-I746 VanDerWaalsContact O-N 3.09Å | ||
| 743 | C | 90.6 | Very high | 93.1 | Very high | 55 Ų | 55 | 66.2 Ų | 66.2 | 37% | 0.372 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.8 | -30.3 | 177.6 | -66 | 0 | 0 | 0 | 0 | 112.9 | R741 K747 | R741-C743 PolarHBondContact O-N 2.77Å; C743-K747 WeakPolarHBondContact O-CB 3.21Å; C743-K747 WeakPolarHBondContact O-CG 3.06Å; C743-K747 PolarHBondContact O-N 2.73Å |
| 744 | A | 90.3 | Very high | 92.8 | Very high | 56 Ų | 56 | 67.2 Ų | 67.2 | 46% | 0.463 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -71.1 | -43.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | D742 I746 K747 N748 | D742-A744 PolarHBondContact O-N 2.9Å; D742-A744 WeakPolarHBondContact OD1-CB 3.38Å; D742-A744 PolarHBondContact OD1-N 2.93Å; A744-I746 VanDerWaalsContact C-N 3.34Å; A744-I746 PolarHBondContact O-N 3.01Å; A744-K747 PolarHBondContact O-N 3.09Å; A744-N748 VanDerWaalsContact O-CG 3.31Å; A744-N748 PolarHBondContact O-N 3.42Å; A744-N748 VanDerWaalsContact O-N 3.08Å; A744-N748 PolarHBondContact O-ND2 3.08Å |
| 745 | A | 90.7 | Very high | 92.5 | Very high | 36 Ų | 36 | 69.2 Ų | 69.2 | 30% | 0.298 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60 | -44.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | D742 N748 T749 | D742-A745 HydrophobicContact CB-CB 4Å; D742-A745 PolarHBondContact O-N 3.05Å; D742-A745 PolarHBondContact OD1-N 3.18Å; A745-N748 PolarHBondContact O-N 3.49Å; A745-T749 PolarHBondContact O-N 3.49Å; A745-T749 PolarHBondContact O-OG1 2.96Å |
| 746 | I | 93.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 178.7 | -66.8 | 165.3 | 0 | 0 | 0 | 111.2 | W662 V666 I721 V724 V725 T740 D742 A744 N748 T749 L750 | W662-I746 HydrophobicContact CZ2-CD1 4.13Å; W662-I746 HydrophobicContact CZ2-CG1 4.15Å; V666-I746 HydrophobicContact CG1-CG2 4.09Å; V666-I746 HydrophobicContact CG2-CG2 4.45Å; I721-I746 HydrophobicContact CD1-CG2 4.11Å; V724-I746 HydrophobicContact CG1-CG2 3.95Å; V725-I746 HydrophobicContact CB-CD1 4.31Å; V725-I746 HydrophobicContact CG1-CD1 4.37Å; V725-I746 HydrophobicContact CG2-CD1 3.65Å; T740-I746 HydrophobicContact CG2-CD1 4.25Å; T740-I746 HydrophobicContact CG2-CG1 4.15Å; D742-I746 WeakPolarHBondContact O-CG1 3.48Å; D742-I746 PolarHBondContact O-N 3.39Å; D742-I746 VanDerWaalsContact O-N 3.09Å; A744-I746 VanDerWaalsContact C-N 3.34Å; A744-I746 PolarHBondContact O-N 3.01Å; I746-N748 VanDerWaalsContact C-N 3.33Å; I746-N748 PolarHBondContact O-N 3.35Å; I746-T749 PolarHBondContact O-N 2.71Å; I746-T749 VanDerWaalsContact O-N 3.16Å; I746-L750 HydrophobicContact CG2-CD1 4.1Å; I746-L750 HydrophobicContact CG2-CG 4.37Å; I746-L750 WeakPolarHBondContact O-CG 3.12Å; I746-L750 PolarHBondContact O-N 3.33Å |
| 747 | K | 93.2 | Very high | 92.2 | Very high | 63 Ų | 63 | 75.9 Ų | 75.9 | 27% | 0.274 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -58 | -43.7 | 175.3 | -77 | 179.1 | -173.4 | -154.7 | 0 | 112.2 | P715 N716 I721 C743 A744 T749 L750 E751 | P715-K747 HydrophobicContact CB-CG 4.41Å; P715-K747 WeakPolarHBondContact O-CE 3.29Å; P715-K747 PolarHBondContact O-NZ 3.24Å; N716-K747 PolarHBondContact OD1-NZ 3.11Å; I721-K747 HydrophobicContact CD1-CG 4.04Å; C743-K747 WeakPolarHBondContact O-CB 3.21Å; C743-K747 WeakPolarHBondContact O-CG 3.06Å; C743-K747 PolarHBondContact O-N 2.73Å; A744-K747 PolarHBondContact O-N 3.09Å; K747-T749 VanDerWaalsContact C-N 3.28Å; K747-T749 PolarHBondContact O-N 3.08Å; K747-L750 WeakPolarHBondContact O-CB 3.11Å; K747-L750 PolarHBondContact O-N 3.36Å; K747-L750 VanDerWaalsContact O-N 3.15Å; K747-E751 PolarHBondContact O-N 3.37Å |
| 748 | N | 92.5 | Very high | 92.1 | Very high | 92 Ų | 92 | 76.7 Ų | 76.7 | 49% | 0.492 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.9 | -35.6 | 177.2 | -68.8 | -25.6 | 0 | 0 | 0 | 112.6 | A744 A745 I746 | A744-N748 VanDerWaalsContact O-CG 3.31Å; A744-N748 PolarHBondContact O-N 3.42Å; A744-N748 VanDerWaalsContact O-N 3.08Å; A744-N748 PolarHBondContact O-ND2 3.08Å; A745-N748 PolarHBondContact O-N 3.49Å; I746-N748 VanDerWaalsContact C-N 3.33Å; I746-N748 PolarHBondContact O-N 3.35Å |
| 749 | T | 92.9 | Very high | 92 | Very high | 23 Ų | 23 | 72.6 Ų | 72.6 | 14% | 0.141 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -69.8 | -41.8 | 174.6 | -59.1 | 0 | 0 | 0 | 0 | 111.2 | E663 V666 A745 I746 K747 E751 R752 | E663-T749 HydrophobicContact CB-CG2 3.94Å; E663-T749 HydrophobicContact CG-CG2 3.88Å; V666-T749 HydrophobicContact CB-CG2 3.95Å; V666-T749 HydrophobicContact CG1-CG2 3.86Å; V666-T749 HydrophobicContact CG2-CG2 4.47Å; A745-T749 PolarHBondContact O-N 3.49Å; A745-T749 PolarHBondContact O-OG1 2.96Å; I746-T749 PolarHBondContact O-N 2.71Å; I746-T749 VanDerWaalsContact O-N 3.16Å; K747-T749 VanDerWaalsContact C-N 3.28Å; K747-T749 PolarHBondContact O-N 3.08Å; T749-E751 VanDerWaalsContact C-N 3.26Å; T749-E751 PolarHBondContact O-N 3.41Å; T749-R752 PolarHBondContact O-N 2.76Å |
| 750 | L | 94.1 | Very high | 91.8 | Very high | 17 Ų | 17 | 73.4 Ų | 73.4 | 9% | 0.089 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -58.8 | -33.4 | -179.6 | -74.2 | 171.1 | 0 | 0 | 0 | 113.4 | V666 R670 F713 I721 V724 I746 K747 R752 V753 | V666-L750 HydrophobicContact CG1-CD2 3.77Å; V666-L750 HydrophobicContact CG1-CG 3.95Å; R670-L750 HydrophobicContact CB-CD2 3.6Å; R670-L750 HydrophobicContact CG-CD2 3.84Å; F713-L750 HydrophobicContact CE1-CD1 4.06Å; F713-L750 HydrophobicContact CZ-CD1 3.87Å; I721-L750 HydrophobicContact CD1-CD1 3.72Å; V724-L750 HydrophobicContact CG1-CD1 4.27Å; V724-L750 HydrophobicContact CG1-CD2 4.13Å; I746-L750 HydrophobicContact CG2-CD1 4.1Å; I746-L750 HydrophobicContact CG2-CG 4.37Å; I746-L750 WeakPolarHBondContact O-CG 3.12Å; I746-L750 PolarHBondContact O-N 3.33Å; K747-L750 WeakPolarHBondContact O-CB 3.11Å; K747-L750 PolarHBondContact O-N 3.36Å; K747-L750 VanDerWaalsContact O-N 3.15Å; L750-R752 PolarHBondContact O-N 3.23Å; L750-R752 VanDerWaalsContact O-N 3.14Å; L750-V753 PolarHBondContact O-N 2.9Å; L750-V753 VanDerWaalsContact O-N 3.14Å |
| 751 | E | 91.3 | Very high | 91.7 | Very high | 162 Ų | 162 | 77.5 Ų | 77.5 | 76% | 0.757 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -23.4 | 175.3 | -68.7 | -179 | 171.9 | 0 | 0 | 113.3 | K747 T749 | K747-E751 PolarHBondContact O-N 3.37Å; T749-E751 VanDerWaalsContact C-N 3.26Å; T749-E751 PolarHBondContact O-N 3.41Å |
| 752 | R | 91.1 | Very high | 91.3 | Very high | 215 Ų | 215 | 76.6 Ų | 76.6 | 81% | 0.811 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -6.6 | -177.7 | -52.9 | 179.7 | -168 | -157.3 | 0.8 | 112.8 | T749 L750 S754 | T749-R752 PolarHBondContact O-N 2.76Å; L750-R752 PolarHBondContact O-N 3.23Å; L750-R752 VanDerWaalsContact O-N 3.14Å; R752-S754 PolarHBondContact O-N 3.3Å |
| 753 | V | 91.9 | Very high | 90.7 | Very high | 27 Ų | 27 | 77.7 Ų | 77.7 | 16% | 0.164 | 45% | 0.447 | C | S | . | . | trans | -79.5 | 114.9 | -176.3 | 178.6 | 0 | 0 | 0 | 0 | 110 | R670 L750 | R670-V753 HydrophobicContact CB-CG1 4.13Å; R670-V753 HydrophobicContact CG-CB 4.44Å; R670-V753 HydrophobicContact CG-CG1 3.98Å; L750-V753 PolarHBondContact O-N 2.9Å; L750-V753 VanDerWaalsContact O-N 3.14Å | ||
| 754 | S | 89.9 | Confident | 90.2 | Very high | 90 Ų | 90 | 77.9 Ų | 77.9 | 63% | 0.629 | 45% | 0.446 | S | S | * | . | trans | -76.7 | 126.2 | 170.2 | -175.5 | 0 | 0 | 0 | 0 | 111.1 | R671 R752 | R671-S754 PolarHBondContact NE-O 3.36Å; R752-S754 PolarHBondContact O-N 3.3Å | ||
| 755 | V | 91.9 | Very high | 89.7 | Confident | 44 Ų | 44 | 81.4 Ų | 81.4 | 27% | 0.267 | 45% | 0.451 | S | S | . | . | trans | -104.2 | 120.4 | 175.3 | -178.8 | 0 | 0 | 0 | 0 | 109 | R670 E674 | R670-V755 HydrophobicContact CG-CG2 4.2Å; E674-V755 HydrophobicContact CB-CG1 3.88Å; E674-V755 HydrophobicContact CG-CG1 3.5Å; E674-V755 VanDerWaalsContact CG-CG1 3.5Å | ||
| 756 | P | 90.8 | Very high | 89.2 | Confident | 82 Ų | 82 | 81 Ų | 81 | 53% | 0.532 | 44% | 0.444 | S | S | . | . | trans | -63.5 | 142.9 | 179.4 | -21.8 | 32.9 | 0 | 0 | 0 | 112.3 | ||||
| 757 | P | 90.7 | Very high | 88.6 | Confident | 132 Ų | 132 | 82.7 Ų | 82.7 | 86% | 0.857 | 45% | 0.452 | S | S | * | . | trans | -67 | 142 | 173 | 29 | -34.1 | 0 | 0 | 0 | 110.8 | ||||
| 758 | F | 93.7 | Very high | 87.9 | Confident | 51 Ų | 51 | 82.3 Ų | 82.3 | 22% | 0.224 | 45% | 0.452 | C | S | . | . | trans | -109.5 | 140.1 | 178 | 178.6 | -104.9 | 0 | 0 | 0 | 112.2 | N679 R682 Q683 P760 | N679-F758 HydrophobicContact CB-CB 4.13Å; N679-F758 HydrophobicContact CB-CD1 3.75Å; N679-F758 HydrophobicContact CB-CD2 3.79Å; N679-F758 HydrophobicContact CB-CE1 4.1Å; N679-F758 HydrophobicContact CB-CE2 4.13Å; N679-F758 HydrophobicContact CB-CG 3.6Å; N679-F758 HydrophobicContact CB-CZ 4.28Å; N679-F758 VanDerWaalsContact CG-CB 3.44Å; N679-F758 VanDerWaalsContact CG-CG 3.49Å; N679-F758 WeakPolarHBondContact O-CE1 3.28Å; N679-F758 WeakPolarHBondContact OD1-CB 3.34Å; N679-F758 WeakPolarHBondContact OD1-CG 3.49Å; R682-F758 HydrophobicContact CB-CD1 4.25Å; R682-F758 HydrophobicContact CB-CE1 4.06Å; Q683-F758 HydrophobicContact CB-CE1 4.34Å; Q683-F758 HydrophobicContact CB-CZ 4.01Å; F758-P760 HydrophobicContact CE1-CB 4.22Å; F758-P760 HydrophobicContact CZ-CB 4.47Å | ||
| 759 | S | 90.6 | Very high | 87.2 | Confident | 93 Ų | 93 | 80.7 Ų | 80.7 | 65% | 0.65 | 45% | 0.446 | S | S | * | . | trans | -132.6 | 127.5 | 170.9 | -66.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 760 | P | 90.4 | Very high | 86.4 | Confident | 47 Ų | 47 | 81.9 Ų | 81.9 | 31% | 0.305 | 45% | 0.451 | S | S | . | . | trans | -66.5 | 147 | -178.4 | 29 | -34.8 | 0 | 0 | 0 | 111.1 | Q683 H686 F758 | Q683-P760 VanDerWaalsContact OE1-CA 3.27Å; H686-P760 HydrophobicContact CB-CB 3.61Å; H686-P760 HydrophobicContact CB-CG 3.92Å; F758-P760 HydrophobicContact CE1-CB 4.22Å; F758-P760 HydrophobicContact CZ-CB 4.47Å | ||
| 761 | K | 90.1 | Very high | 85.6 | Confident | 135 Ų | 135 | 88.5 Ų | 88.5 | 59% | 0.587 | 48% | 0.479 | S | S | * | . | trans | -105.7 | 131 | -179.3 | -64.4 | 178.4 | -177.6 | 177.7 | 0 | 110 | Q683 S763 V764 | Q683-K761 PolarHBondContact NE2-O 2.93Å; K761-S763 PolarHBondContact O-N 3.25Å; K761-V764 HydrophobicContact CB-CG2 3.99Å | ||
| 762 | S | 84.4 | Confident | 85 | Confident | 106 Ų | 106 | 83.9 Ų | 83.9 | 74% | 0.741 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -11.4 | 177.9 | -47.5 | 0 | 0 | 0 | 0 | 113.9 | H686 V764 | H686-S762 PolarHBondContact NE2-OG 2.96Å; S762-V764 VanDerWaalsContact C-N 3.32Å |
| 763 | S | 79.1 | Confident | 84 | Confident | 106 Ų | 106 | 74.5 Ų | 74.5 | 74% | 0.741 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -8 | 177.2 | 58.4 | 0 | 0 | 0 | 0 | 114.1 | K761 | K761-S763 PolarHBondContact O-N 3.25Š|
| 764 | V | 80.6 | Confident | 82.9 | Confident | 58 Ų | 58 | 78.2 Ų | 78.2 | 35% | 0.352 | 44% | 0.439 | S | S | . | . | trans | -81.6 | 119.9 | -178.5 | 176.8 | 0 | 0 | 0 | 0 | 109.4 | Q683 K761 S762 I766 | Q683-V764 HydrophobicContact CG-CB 4.5Å; Q683-V764 HydrophobicContact CG-CG1 4.24Å; K761-V764 HydrophobicContact CB-CG2 3.99Å; S762-V764 VanDerWaalsContact C-N 3.32Å; V764-I766 HydrophobicContact CG1-CG1 4.29Å | ||
| 765 | K | 79.4 | Confident | 82.1 | Confident | 131 Ų | 131 | 80.1 Ų | 80.1 | 57% | 0.57 | 44% | 0.438 | S | S | * | . | trans | -95.9 | 126.4 | 172.6 | -170.6 | -177.4 | 175.9 | -164.7 | 0 | 109.5 | D776 | K765-D776 IonicContact NZ-OD1 3.45Å; K765-D776 IonicContact NZ-OD2 2.7Å; K765-D776 PolarHBondContact NZ-OD2 3.43Å | ||
| 766 | I | 80.5 | Confident | 81 | Confident | 26 Ų | 26 | 80.1 Ų | 80.1 | 13% | 0.133 | 44% | 0.437 | C | S | . | . | trans | -107.9 | 121.8 | 174.6 | -61.1 | -179.6 | 0 | 0 | 0 | 107.8 | N590 L684 C687 F688 V764 | N590-I766 HydrophobicContact CB-CG2 4.36Å; N590-I766 WeakPolarHBondContact ND2-CG2 3.39Å; L684-I766 HydrophobicContact CB-CD1 4.27Å; L684-I766 HydrophobicContact CD1-CD1 3.58Å; L684-I766 HydrophobicContact CD1-CG2 4.2Å; C687-I766 HydrophobicContact CB-CD1 3.97Å; C687-I766 HydrophobicContact CB-CG1 4.48Å; F688-I766 HydrophobicContact CE2-CB 3.89Å; F688-I766 HydrophobicContact CE2-CG2 3.97Å; F688-I766 HydrophobicContact CZ-CB 4.48Å; V764-I766 HydrophobicContact CG1-CG1 4.29Å | ||
| 767 | H | 80.8 | Confident | 79.7 | Confident | 37 Ų | 37 | 84.6 Ų | 84.6 | 17% | 0.171 | 44% | 0.443 | C | S | . | . | trans | -76.6 | 137.7 | -179.2 | -51.6 | -91.6 | 0 | 0 | 0 | 110.9 | E772 M773 D776 | H767-E772 HydrophobicContact CB-CB 4.19Å; H767-E772 PolarHBondContact ND1-O 3.01Å; H767-M773 HydrophobicContact CB-CB 4.48Å; H767-M773 HydrophobicContact CB-CG 3.3Å; H767-M773 HydrophobicContact CB-SD 4.27Å; H767-D776 IonicContact CE1-OD2 3.37Å; H767-D776 PolarHBondContact CE1-OD2 3.48Å; H767-D776 IonicContact ND1-OD2 3.55Å | ||
| 768 | L | 78.8 | Confident | 78.3 | Confident | 55 Ų | 55 | 86 Ų | 86 | 29% | 0.288 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -89.7 | -23.1 | 179.2 | -65.7 | 177.6 | 0 | 0 | 0 | 112.1 | C586 F591 F688 F700 E772 | C586-L768 PolarHBondContact SG-O 3.46Å; C586-L768 VanDerWaalsContact SG-O 3.38Å; F591-L768 HydrophobicContact CE2-CD2 3.94Å; F591-L768 HydrophobicContact CZ-CD2 3.73Å; F688-L768 HydrophobicContact CE1-CD2 3.99Å; F688-L768 HydrophobicContact CE2-CD2 4.08Å; F688-L768 HydrophobicContact CZ-CD2 3.54Å; F688-L768 HydrophobicContact CZ-CG 4.17Å; F700-L768 HydrophobicContact CE2-CD1 4.34Å; F700-L768 HydrophobicContact CE2-CD2 3.75Å; F700-L768 HydrophobicContact CZ-CD2 3.66Å; L768-E772 PolarHBondContact N-OE2 3.5Å |
| 769 | T | 77 | Confident | 76.8 | Confident | 57 Ų | 57 | 90.3 Ų | 90.3 | 35% | 0.35 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -136.1 | 154.1 | -178.8 | 67.1 | 0 | 0 | 0 | 0 | 111.8 | K771 E772 M773 | T769-K771 PolarHBondContact O-N 3Å; T769-E772 PolarHBondContact O-N 2.9Å; T769-E772 WeakPolarHBondContact OG1-CG 3.23Å; T769-E772 PolarHBondContact OG1-N 3.38Å; T769-M773 PolarHBondContact O-N 2.67Å |
| 770 | D | 76.6 | Confident | 75 | Confident | 48 Ų | 48 | 95 Ų | 95 | 26% | 0.257 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.4 | -31.3 | 176.1 | -68.9 | 0 | 0 | 0 | 0 | 111.8 | P584 L585 C586 M773 E774 | P584-D770 VanDerWaalsContact CA-OD2 3.28Å; P584-D770 WeakPolarHBondContact CA-OD2 3.44Å; P584-D770 WeakPolarHBondContact CB-OD2 3.3Å; L585-D770 PolarHBondContact N-OD1 3.15Å; L585-D770 PolarHBondContact N-OD2 3.2Å; C586-D770 PolarHBondContact N-OD1 2.97Å; D770-M773 WeakPolarHBondContact O-CB 3.3Å; D770-M773 PolarHBondContact O-N 3.48Å; D770-E774 PolarHBondContact O-N 3.5Å |
| 771 | K | 77.6 | Confident | 73.4 | Confident | 157 Ų | 157 | 93.9 Ų | 93.9 | 68% | 0.683 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -61.4 | -46.1 | 174.7 | -69.8 | -176 | 178 | -179.3 | 0 | 112.2 | T769 M773 E774 E775 | T769-K771 PolarHBondContact O-N 3Å; K771-M773 PolarHBondContact O-N 2.86Å; K771-E774 PolarHBondContact O-N 3.08Å; K771-E775 WeakPolarHBondContact O-CB 3.48Å; K771-E775 WeakPolarHBondContact O-CG 3.29Å; K771-E775 PolarHBondContact O-N 3.38Å |
| 772 | E | 78 | Confident | 72 | Confident | 65 Ų | 65 | 92.5 Ų | 92.5 | 30% | 0.304 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.5 | -34.4 | 175.5 | -73.5 | 166 | -155.8 | 0 | 0 | 112.1 | H767 L768 T769 D776 | H767-E772 HydrophobicContact CB-CB 4.19Å; H767-E772 PolarHBondContact ND1-O 3.01Å; L768-E772 PolarHBondContact N-OE2 3.5Å; T769-E772 PolarHBondContact O-N 2.9Å; T769-E772 WeakPolarHBondContact OG1-CG 3.23Å; T769-E772 PolarHBondContact OG1-N 3.38Å; E772-D776 PolarHBondContact O-N 3.02Å |
| 773 | M | 70.3 | Confident | 71 | Confident | 17 Ų | 17 | 93.6 Ų | 93.6 | 8% | 0.084 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -67.6 | -45.8 | 175.3 | -68.9 | -176.6 | 56.4 | 0 | 0 | 111.7 | L585 H767 T769 D770 K771 D776 R777 | L585-M773 HydrophobicContact CB-SD 4.43Å; H767-M773 HydrophobicContact CB-CB 4.48Å; H767-M773 HydrophobicContact CB-CG 3.3Å; H767-M773 HydrophobicContact CB-SD 4.27Å; T769-M773 PolarHBondContact O-N 2.67Å; D770-M773 WeakPolarHBondContact O-CB 3.3Å; D770-M773 PolarHBondContact O-N 3.48Å; K771-M773 PolarHBondContact O-N 2.86Å; M773-D776 PolarHBondContact O-N 2.67Å; M773-R777 WeakPolarHBondContact O-CB 3.47Å; M773-R777 WeakPolarHBondContact O-CG 3.19Å; M773-R777 PolarHBondContact O-N 2.72Å |
| 774 | E | 69.9 | Low | 70.5 | Confident | 106 Ų | 106 | 92.1 Ų | 92.1 | 50% | 0.495 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.7 | -40.2 | 179 | -73.8 | -175.5 | -175.8 | 0 | 0 | 112.6 | D770 K771 R777 K778 | D770-E774 PolarHBondContact O-N 3.5Å; K771-E774 PolarHBondContact O-N 3.08Å; E774-R777 PolarHBondContact O-N 2.92Å; E774-K778 WeakPolarHBondContact O-CB 3.36Å; E774-K778 VanDerWaalsContact O-CG 3.32Å; E774-K778 WeakPolarHBondContact O-CG 3.48Å; E774-K778 PolarHBondContact O-N 3.04Å |
| 775 | E | 73.2 | Confident | 70 | Confident | 130 Ų | 130 | 91.5 Ų | 91.5 | 61% | 0.607 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -64.4 | -40.6 | 177.7 | -75.2 | 175.3 | -177 | 0 | 0 | 112 | K771 | K771-E775 WeakPolarHBondContact O-CB 3.48Å; K771-E775 WeakPolarHBondContact O-CG 3.29Å; K771-E775 PolarHBondContact O-N 3.38Å |
| 776 | D | 68.1 | Low | 69.7 | Low | 44 Ų | 44 | 90.3 Ų | 90.3 | 24% | 0.235 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -72.6 | -33.4 | 175.2 | -82.1 | -17.2 | 0 | 0 | 0 | 111.9 | K765 H767 E772 M773 K778 K779 | K765-D776 IonicContact NZ-OD1 3.45Å; K765-D776 IonicContact NZ-OD2 2.7Å; K765-D776 PolarHBondContact NZ-OD2 3.43Å; H767-D776 IonicContact CE1-OD2 3.37Å; H767-D776 PolarHBondContact CE1-OD2 3.48Å; H767-D776 IonicContact ND1-OD2 3.55Å; E772-D776 PolarHBondContact O-N 3.02Å; M773-D776 PolarHBondContact O-N 2.67Å; D776-K778 VanDerWaalsContact C-N 3.32Å; D776-K778 PolarHBondContact O-N 3.36Å; D776-K779 PolarHBondContact O-N 3.27Å; D776-K779 WeakPolarHBondContact OD1-CE 3.5Å; D776-K779 IonicContact OD1-NZ 2.93Å; D776-K779 PolarHBondContact OD1-NZ 2.63Å |
| 777 | R | 64.8 | Low | 69.6 | Low | 175 Ų | 175 | 92.1 Ų | 92.1 | 66% | 0.66 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -67.5 | -27.3 | 173.9 | -79.9 | 177.9 | 174 | -172.1 | -5.2 | 114 | M773 E774 K779 | M773-R777 WeakPolarHBondContact O-CB 3.47Å; M773-R777 WeakPolarHBondContact O-CG 3.19Å; M773-R777 PolarHBondContact O-N 2.72Å; E774-R777 PolarHBondContact O-N 2.92Å; R777-K779 VanDerWaalsContact C-N 3.32Å |
| 778 | K | 60.6 | Low | 69.6 | Low | 163 Ų | 163 | 94.6 Ų | 94.6 | 71% | 0.709 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -5.1 | 178.8 | -75.4 | 172.5 | -176.3 | 166.9 | 0 | 113.7 | E774 D776 | E774-K778 WeakPolarHBondContact O-CB 3.36Å; E774-K778 VanDerWaalsContact O-CG 3.32Å; E774-K778 WeakPolarHBondContact O-CG 3.48Å; E774-K778 PolarHBondContact O-N 3.04Å; D776-K778 VanDerWaalsContact C-N 3.32Å; D776-K778 PolarHBondContact O-N 3.36Å |
| 779 | K | 62.8 | Low | 69.8 | Low | 140 Ų | 140 | 92.2 Ų | 92.2 | 61% | 0.609 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -71.2 | 128.6 | 172.1 | -70.6 | 174.5 | 178.8 | 166.2 | 0 | 108.7 | D776 R777 G781 | D776-K779 PolarHBondContact O-N 3.27Å; D776-K779 WeakPolarHBondContact OD1-CE 3.5Å; D776-K779 IonicContact OD1-NZ 2.93Å; D776-K779 PolarHBondContact OD1-NZ 2.63Å; R777-K779 VanDerWaalsContact C-N 3.32Å; K779-G781 PolarHBondContact O-N 3.4Å |
| 780 | E | 52.5 | Low | 70.1 | Confident | 193 Ų | 193 | 94.9 Ų | 94.9 | 90% | 0.902 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -56 | 136.6 | 172.4 | -76.6 | -176.7 | 153.3 | 0 | 0 | 109.7 | ||
| 781 | G | 56.2 | Low | 70.5 | Confident | 23 Ų | 23 | 97.9 Ų | 97.9 | 24% | 0.237 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -57 | 139.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | K779 D785 | K779-G781 PolarHBondContact O-N 3.4Å; G781-D785 WeakPolarHBondContact CA-OD2 3.42Å |
| 782 | D | 61.2 | Low | 70.8 | Confident | 106 Ų | 106 | 91.7 Ų | 91.7 | 57% | 0.567 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -70.6 | 162.2 | 177.7 | -175.3 | 25.7 | 0 | 0 | 0 | 110.3 | T784 D785 | D782-T784 PolarHBondContact O-N 3.45Å; D782-T784 PolarHBondContact OD2-OG1 2.9Å; D782-T784 VanDerWaalsContact OD2-OG1 3.05Å; D782-D785 PolarHBondContact N-OD2 3.17Å; D782-D785 WeakPolarHBondContact O-CB 3.19Å; D782-D785 PolarHBondContact O-N 3.43Å |
| 783 | D | 63.2 | Low | 71.1 | Confident | 129 Ų | 129 | 91.1 Ų | 91.1 | 69% | 0.69 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -54.6 | -24.5 | 177.9 | -88.1 | -19.4 | 0 | 0 | 0 | 112.3 | A787 | D783-A787 PolarHBondContact O-N 2.81Å |
| 784 | T | 68.3 | Low | 71.6 | Confident | 75 Ų | 75 | 92.3 Ų | 92.3 | 46% | 0.46 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.1 | -40.5 | 173.1 | -45.2 | 0 | 0 | 0 | 0 | 113.3 | D782 A787 Q788 | D782-T784 PolarHBondContact O-N 3.45Å; D782-T784 PolarHBondContact OD2-OG1 2.9Å; D782-T784 VanDerWaalsContact OD2-OG1 3.05Å; T784-A787 PolarHBondContact O-N 3.46Å; T784-Q788 WeakPolarHBondContact O-CG 3.43Å; T784-Q788 PolarHBondContact O-N 2.84Å; T784-Q788 VanDerWaalsContact O-N 3.15Å |
| 785 | D | 69.8 | Low | 72.2 | Confident | 45 Ų | 45 | 91.2 Ų | 91.2 | 24% | 0.241 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -71.3 | -39.4 | -176.6 | -67.6 | -22.8 | 0 | 0 | 0 | 111.1 | L639 G781 D782 A787 Q788 L789 | L639-D785 HydrophobicContact CD1-CB 3.66Å; G781-D785 WeakPolarHBondContact CA-OD2 3.42Å; D782-D785 PolarHBondContact N-OD2 3.17Å; D782-D785 WeakPolarHBondContact O-CB 3.19Å; D782-D785 PolarHBondContact O-N 3.43Å; D785-A787 VanDerWaalsContact C-N 3.35Å; D785-A787 PolarHBondContact O-N 3.39Å; D785-Q788 PolarHBondContact O-N 3.21Å; D785-L789 PolarHBondContact O-N 2.9Å |
| 786 | K | 74.3 | Confident | 72.7 | Confident | 105 Ų | 105 | 85 Ų | 85 | 46% | 0.457 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.8 | -38.9 | 175 | -68.6 | 176.9 | -176.6 | 164.2 | 0 | 111.9 | D635 L789 E790 | D635-K786 WeakPolarHBondContact OD2-CE 3.47Å; K786-L789 PolarHBondContact O-N 3.25Å; K786-E790 PolarHBondContact O-N 2.88Å; K786-E790 VanDerWaalsContact O-N 3.1Å |
| 787 | A | 78.6 | Confident | 73.1 | Confident | 64 Ų | 64 | 86.6 Ų | 86.6 | 53% | 0.529 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64 | -40.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | D783 T784 D785 E790 E791 | D783-A787 PolarHBondContact O-N 2.81Å; T784-A787 PolarHBondContact O-N 3.46Å; D785-A787 VanDerWaalsContact C-N 3.35Å; D785-A787 PolarHBondContact O-N 3.39Å; A787-E790 PolarHBondContact O-N 2.83Å; A787-E791 PolarHBondContact O-N 3.14Å; A787-E791 VanDerWaalsContact O-N 3.12Å |
| 788 | Q | 80.6 | Confident | 73.6 | Confident | 90 Ų | 90 | 82.4 Ų | 82.4 | 42% | 0.421 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -66.1 | -38.1 | 175.3 | -71.7 | 178.9 | 3.9 | 0 | 0 | 112.5 | L639 T784 D785 E791 L792 | L639-Q788 HydrophobicContact CD2-CB 3.77Å; T784-Q788 WeakPolarHBondContact O-CG 3.43Å; T784-Q788 PolarHBondContact O-N 2.84Å; T784-Q788 VanDerWaalsContact O-N 3.15Å; D785-Q788 PolarHBondContact O-N 3.21Å; Q788-E791 PolarHBondContact O-N 2.99Å; Q788-L792 WeakPolarHBondContact O-CB 3.44Å; Q788-L792 WeakPolarHBondContact O-CG 3.27Å; Q788-L792 PolarHBondContact O-N 2.89Å |
| 789 | L | 82.4 | Confident | 74.4 | Confident | 4 Ų | 4 | 76.2 Ų | 76.2 | 2% | 0.021 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 174.4 | -81.8 | 166.8 | 0 | 0 | 0 | 112 | L631 D635 A638 L639 L642 D785 K786 L792 K793 | L631-L789 HydrophobicContact CD2-CD1 4.32Å; L631-L789 HydrophobicContact CD2-CD2 4.24Å; D635-L789 HydrophobicContact CB-CD1 3.86Å; A638-L789 HydrophobicContact CB-CD2 4.05Å; L639-L789 HydrophobicContact CB-CD2 4.48Å; L639-L789 HydrophobicContact CD1-CG 4.49Å; L639-L789 HydrophobicContact CD2-CB 4.42Å; L639-L789 HydrophobicContact CD2-CD2 3.78Å; L639-L789 HydrophobicContact CD2-CG 3.58Å; L639-L789 HydrophobicContact CG-CD1 4.21Å; L639-L789 HydrophobicContact CG-CD2 3.8Å; L639-L789 HydrophobicContact CG-CG 3.64Å; L642-L789 HydrophobicContact CD1-CD2 4.04Å; D785-L789 PolarHBondContact O-N 2.9Å; K786-L789 PolarHBondContact O-N 3.25Å; L789-L792 PolarHBondContact O-N 2.58Å; L789-K793 VanDerWaalsContact O-CG 3.3Å; L789-K793 WeakPolarHBondContact O-CG 3.39Å; L789-K793 PolarHBondContact O-N 3.2Å |
| 790 | E | 82.3 | Confident | 74.6 | Confident | 114 Ų | 114 | 75.5 Ų | 75.5 | 53% | 0.533 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.5 | -39.4 | 176.7 | -72.8 | -55.3 | 138.8 | 0 | 0 | 112.3 | K786 A787 L792 K793 G794 | K786-E790 PolarHBondContact O-N 2.88Å; K786-E790 VanDerWaalsContact O-N 3.1Å; A787-E790 PolarHBondContact O-N 2.83Å; E790-L792 PolarHBondContact O-N 2.87Å; E790-K793 PolarHBondContact O-N 3.41Å; E790-K793 IonicContact OE1-NZ 2.85Å; E790-K793 PolarHBondContact OE1-NZ 3.42Å; E790-G794 PolarHBondContact O-N 3.44Å; E790-G794 VanDerWaalsContact O-N 3.14Å |
| 791 | E | 84.8 | Confident | 75.2 | Confident | 110 Ų | 110 | 72 Ų | 72 | 51% | 0.514 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 173.7 | -167.8 | -171.7 | 159.5 | 0 | 0 | 111.8 | A787 Q788 G794 K795 | A787-E791 PolarHBondContact O-N 3.14Å; A787-E791 VanDerWaalsContact O-N 3.12Å; Q788-E791 PolarHBondContact O-N 2.99Å; E791-G794 PolarHBondContact O-N 2.82Å; E791-K795 PolarHBondContact O-N 2.88Å; E791-K795 WeakPolarHBondContact OE1-CE 3.37Å; E791-K795 IonicContact OE1-NZ 2.99Å; E791-K795 PolarHBondContact OE1-NZ 2.78Å |
| 792 | L | 84.8 | Confident | 75.9 | Confident | 27 Ų | 27 | 72.4 Ų | 72.4 | 14% | 0.141 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 177.6 | -80 | 168.5 | 0 | 0 | 0 | 112.3 | L639 C646 Q788 L789 E790 G794 K795 L796 | L639-L792 HydrophobicContact CD2-CD1 3.76Å; C646-L792 HydrophobicContact CB-CD2 3.87Å; Q788-L792 WeakPolarHBondContact O-CB 3.44Å; Q788-L792 WeakPolarHBondContact O-CG 3.27Å; Q788-L792 PolarHBondContact O-N 2.89Å; L789-L792 PolarHBondContact O-N 2.58Å; E790-L792 PolarHBondContact O-N 2.87Å; L792-G794 VanDerWaalsContact C-N 3.29Å; L792-G794 PolarHBondContact O-N 3.44Å; L792-K795 PolarHBondContact O-N 3.36Å; L792-L796 WeakPolarHBondContact O-CB 3.37Å; L792-L796 VanDerWaalsContact O-CG 3.3Å; L792-L796 WeakPolarHBondContact O-CG 3.48Å; L792-L796 PolarHBondContact O-N 2.95Å |
| 793 | K | 83.6 | Confident | 76.7 | Confident | 53 Ų | 53 | 70.1 Ų | 70.1 | 23% | 0.23 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -57.3 | -44.7 | 174 | -72.8 | 172.1 | -167.1 | 178.4 | 0 | 111.2 | I627 L789 E790 L796 S797 | I627-K793 HydrophobicContact CG2-CG 4.25Å; L789-K793 VanDerWaalsContact O-CG 3.3Å; L789-K793 WeakPolarHBondContact O-CG 3.39Å; L789-K793 PolarHBondContact O-N 3.2Å; E790-K793 PolarHBondContact O-N 3.41Å; E790-K793 IonicContact OE1-NZ 2.85Å; E790-K793 PolarHBondContact OE1-NZ 3.42Å; K793-L796 PolarHBondContact O-N 3.08Å; K793-S797 PolarHBondContact O-N 3.17Å |
| 794 | G | 81.3 | Confident | 77.9 | Confident | 42 Ų | 42 | 68.2 Ų | 68.2 | 43% | 0.433 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -57.6 | -51.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | E790 E791 L792 L796 S797 | E790-G794 PolarHBondContact O-N 3.44Å; E790-G794 VanDerWaalsContact O-N 3.14Å; E791-G794 PolarHBondContact O-N 2.82Å; L792-G794 VanDerWaalsContact C-N 3.29Å; L792-G794 PolarHBondContact O-N 3.44Å; G794-L796 PolarHBondContact O-N 2.85Å; G794-S797 PolarHBondContact O-N 3.15Å; G794-S797 PolarHBondContact O-OG 3.44Å |
| 795 | K | 82.7 | Confident | 79.1 | Confident | 84 Ų | 84 | 64.8 Ų | 64.8 | 37% | 0.365 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 178.7 | -70.6 | 176.4 | -176.1 | 168.8 | 0 | 112.3 | E791 L792 S797 S798 | E791-K795 PolarHBondContact O-N 2.88Å; E791-K795 WeakPolarHBondContact OE1-CE 3.37Å; E791-K795 IonicContact OE1-NZ 2.99Å; E791-K795 PolarHBondContact OE1-NZ 2.78Å; L792-K795 PolarHBondContact O-N 3.36Å; K795-S797 VanDerWaalsContact C-N 3.32Å; K795-S797 PolarHBondContact O-N 2.84Å; K795-S798 PolarHBondContact O-N 2.99Å; K795-S798 PolarHBondContact O-OG 3.26Å |
| 796 | L | 83.4 | Confident | 80.3 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.9 | -34.7 | -179.2 | -74.8 | 170.2 | 0 | 0 | 0 | 112.7 | F620 L642 V645 C646 L792 K793 G794 S798 L799 | F620-L796 HydrophobicContact CE1-CD2 4.29Å; F620-L796 HydrophobicContact CE2-CB 4.12Å; F620-L796 HydrophobicContact CE2-CD2 4.48Å; F620-L796 HydrophobicContact CZ-CB 3.94Å; F620-L796 HydrophobicContact CZ-CD2 4.14Å; F620-L796 WeakPolarHBondContact CZ-O 3.32Å; L642-L796 HydrophobicContact CB-CD1 3.94Å; L642-L796 HydrophobicContact CD2-CD1 3.96Å; L642-L796 HydrophobicContact CG-CD1 4.43Å; V645-L796 HydrophobicContact CB-CD2 4.34Å; V645-L796 HydrophobicContact CG1-CD2 3.76Å; C646-L796 HydrophobicContact CB-CD2 3.8Å; C646-L796 HydrophobicContact CB-CG 4.17Å; L792-L796 WeakPolarHBondContact O-CB 3.37Å; L792-L796 VanDerWaalsContact O-CG 3.3Å; L792-L796 WeakPolarHBondContact O-CG 3.48Å; L792-L796 PolarHBondContact O-N 2.95Å; K793-L796 PolarHBondContact O-N 3.08Å; G794-L796 PolarHBondContact O-N 2.85Å; L796-S798 PolarHBondContact O-N 3.14Å; L796-S798 VanDerWaalsContact O-N 3.15Å; L796-L799 PolarHBondContact O-N 3.11Å |
| 797 | S | 77.6 | Confident | 81.3 | Confident | 77 Ų | 77 | 65.7 Ų | 65.7 | 54% | 0.538 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -58 | -29.6 | 177.1 | 75.5 | 0 | 0 | 0 | 0 | 113.2 | K793 G794 K795 | K793-S797 PolarHBondContact O-N 3.17Å; G794-S797 PolarHBondContact O-N 3.15Å; G794-S797 PolarHBondContact O-OG 3.44Å; K795-S797 VanDerWaalsContact C-N 3.32Å; K795-S797 PolarHBondContact O-N 2.84Å |
| 798 | S | 75 | Confident | 82.1 | Confident | 86 Ų | 86 | 63.4 Ų | 63.4 | 60% | 0.601 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -13.3 | 177.7 | 73.2 | 0 | 0 | 0 | 0 | 114.6 | K795 L796 | K795-S798 PolarHBondContact O-N 2.99Å; K795-S798 PolarHBondContact O-OG 3.26Å; L796-S798 PolarHBondContact O-N 3.14Å; L796-S798 VanDerWaalsContact O-N 3.15Å |
| 799 | L | 76.1 | Confident | 82.6 | Confident | 33 Ų | 33 | 64.1 Ų | 64.1 | 17% | 0.173 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 5.6 | -171.8 | -66.6 | 168.9 | 0 | 0 | 0 | 114 | L649 Q650 L796 S801 A802 | L649-L799 HydrophobicContact CB-CB 4.4Å; L649-L799 HydrophobicContact CB-CD1 4.11Å; L649-L799 HydrophobicContact CD1-CB 4.08Å; Q650-L799 HydrophobicContact CG-CD1 3.98Å; L796-L799 PolarHBondContact O-N 3.11Å; L799-S801 PolarHBondContact O-N 3.37Å; L799-S801 VanDerWaalsContact O-N 3.09Å; L799-A802 WeakPolarHBondContact O-CB 3.3Å; L799-A802 PolarHBondContact O-N 3.27Å |
| 800 | K | 67 | Low | 83.1 | Confident | 125 Ų | 125 | 65.7 Ų | 65.7 | 54% | 0.543 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -12.4 | -177.7 | -74.1 | -170.3 | 173.6 | -172.7 | 0 | 115.5 | F620 | F620-K800 HydrophobicContact CE1-CG 4.41Å; F620-K800 HydrophobicContact CZ-CG 3.91Å |
| 801 | S | 65.6 | Low | 83.3 | Confident | 121 Ų | 121 | 63.3 Ų | 63.3 | 85% | 0.846 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 4.9 | 179.2 | 57.7 | 0 | 0 | 0 | 0 | 113.9 | L799 | L799-S801 PolarHBondContact O-N 3.37Å; L799-S801 VanDerWaalsContact O-N 3.09Å |
| 802 | A | 70.6 | Confident | 83.4 | Confident | 30 Ų | 30 | 59.8 Ų | 59.8 | 25% | 0.248 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -71.5 | 155.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113 | L649 L799 | L649-A802 HydrophobicContact CD2-CB 3.63Å; L799-A802 WeakPolarHBondContact O-CB 3.3Å; L799-A802 PolarHBondContact O-N 3.27Å |
| 803 | A | 78.9 | Confident | 83.2 | Confident | 58 Ų | 58 | 60.2 Ų | 60.2 | 48% | 0.479 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 142 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | R658 | R658-A803 PolarHBondContact NH1-O 3.38Š|
| 804 | Q | 87.8 | Confident | 83.2 | Confident | 90 Ų | 90 | 60.7 Ų | 60.7 | 42% | 0.421 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 156.4 | 176 | 69.6 | 179.6 | -5.5 | 0 | 0 | 112.4 | N618 | N618-Q804 WeakPolarHBondContact OD1-CB 3.3Š|
| 805 | M | 93.8 | Very high | 83.4 | Confident | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.01 | 35% | 0.345 | C | S | . | . | trans | -106.6 | 164.1 | 174.6 | -66.4 | 178.3 | 66.2 | 0 | 0 | 110.6 | P614 V617 N618 I734 Y735 P807 | P614-M805 HydrophobicContact CB-CB 3.79Å; P614-M805 HydrophobicContact CB-CE 4.32Å; P614-M805 HydrophobicContact CG-CE 4.04Å; V617-M805 HydrophobicContact CB-SD 3.89Å; V617-M805 HydrophobicContact CG1-CG 4.13Å; V617-M805 HydrophobicContact CG1-SD 3.83Å; V617-M805 HydrophobicContact CG2-SD 3.76Å; N618-M805 PolarHBondContact ND2-O 3.46Å; N618-M805 PolarHBondContact OD1-N 3.33Å; N618-M805 PolarHBondContact OD1-O 2.99Å; I734-M805 HydrophobicContact CB-CE 4.33Å; I734-M805 HydrophobicContact CD1-CE 3.79Å; I734-M805 HydrophobicContact CG1-CE 4.12Å; I734-M805 WeakPolarHBondContact O-CA 3.39Å; I734-M805 WeakPolarHBondContact O-CB 3.27Å; Y735-M805 HydrophobicContact CD1-CE 4.19Å; Y735-M805 HydrophobicContact CD1-CG 4.34Å; Y735-M805 HydrophobicContact CD2-CE 4.33Å; Y735-M805 HydrophobicContact CE1-CE 3.62Å; Y735-M805 HydrophobicContact CE1-CG 4.22Å; Y735-M805 HydrophobicContact CE1-SD 3.85Å; Y735-M805 HydrophobicContact CE2-CE 3.77Å; M805-P807 WeakPolarHBondContact O-CD 3.39Å | ||
| 806 | Y | 95.1 | Very high | 83.7 | Confident | 120 Ų | 120 | 62.3 Ų | 62.3 | 47% | 0.471 | 35% | 0.354 | S | S | . | . | trans | -110.9 | 96.5 | -177.8 | -55.3 | -79.2 | 0 | 0 | 0 | 109.8 | I734 | I734-Y806 WeakPolarHBondContact CA-O 3.44Å; I734-Y806 WeakPolarHBondContact CG2-O 3.35Å; I734-Y806 PolarHBondContact O-N 3.45Å | ||
| 807 | P | 95.3 | Very high | 84.1 | Confident | 49 Ų | 49 | 63.1 Ų | 63.1 | 32% | 0.318 | 36% | 0.358 | S | S | . | . | trans | -60.7 | 142.4 | 175.3 | 24 | -31.7 | 0 | 0 | 0 | 111.2 | P614 E615 M805 | P614-P807 HydrophobicContact CB-CB 3.92Å; E615-P807 HydrophobicContact CG-CB 3.85Å; E615-P807 HydrophobicContact CG-CG 4.2Å; M805-P807 WeakPolarHBondContact O-CD 3.39Å | ||
| 808 | I | 96.1 | Very high | 85 | Confident | 17 Ų | 17 | 60.2 Ų | 60.2 | 9% | 0.087 | 34% | 0.335 | C | S | . | . | trans | -106.8 | 113.4 | 179.7 | -62 | 173.6 | 0 | 0 | 0 | 109.4 | F606 F610 L730 Q733 I734 H819 | F606-I808 HydrophobicContact CE1-CG2 4.46Å; F606-I808 HydrophobicContact CZ-CG2 3.83Å; F610-I808 HydrophobicContact CB-CB 4.29Å; F610-I808 HydrophobicContact CB-CD1 4.26Å; F610-I808 PolarHBondContact O-N 2.94Å; L730-I808 HydrophobicContact CB-CD1 4.41Å; L730-I808 HydrophobicContact CD2-CD1 4Å; Q733-I808 HydrophobicContact CB-CD1 3.84Å; I734-I808 HydrophobicContact CG2-CD1 3.59Å; I734-I808 HydrophobicContact CG2-CG1 3.84Å; I808-H819 WeakPolarHBondContact CG2-NE2 3.43Å | ||
| 809 | D | 90.6 | Very high | 86 | Confident | 105 Ų | 105 | 56.5 Ų | 56.5 | 56% | 0.561 | 31% | 0.309 | S | S | * | . | trans | -75.6 | 131.1 | 168.8 | -74.6 | -58.2 | 0 | 0 | 0 | 110.6 | K611 E811 H819 | K611-D809 WeakPolarHBondContact CE-OD1 3.4Å; K611-D809 IonicContact NZ-OD1 3.06Å; K611-D809 PolarHBondContact NZ-OD1 3.14Å; D809-E811 PolarHBondContact O-N 3.36Å; D809-E811 VanDerWaalsContact O-N 3.08Å; D809-H819 PolarHBondContact O-CE1 2.85Å | ||
| 810 | F | 91.8 | Very high | 86.9 | Confident | 36 Ų | 36 | 55 Ų | 55 | 16% | 0.158 | 30% | 0.301 | C | S | . | . | trans | -67.5 | 109.8 | -179.4 | 175.8 | -108.1 | 0 | 0 | 0 | 112.1 | R603 F606 K812 H819 M820 I823 | R603-F810 VanDerWaalsContact CZ-CB 3.43Å; R603-F810 VanDerWaalsContact CZ-CG 3.43Å; R603-F810 VanDerWaalsContact NE-CD1 3.32Å; F606-F810 HydrophobicContact CD1-CB 4.29Å; F606-F810 HydrophobicContact CD1-CD2 4.24Å; F606-F810 HydrophobicContact CE1-CB 3.75Å; F606-F810 AromaticContact CE1-CD2 3.96Å; F606-F810 HydrophobicContact CE1-CD2 3.96Å; F606-F810 HydrophobicContact CE1-CG 4.34Å; F606-F810 HydrophobicContact CZ-CB 4.49Å; F606-F810 HydrophobicContact CZ-CD2 4.19Å; F810-K812 HydrophobicContact CE1-CB 3.78Å; F810-K812 HydrophobicContact CZ-CB 3.74Å; F810-H819 HydrophobicContact CD2-CB 3.92Å; F810-H819 HydrophobicContact CE2-CB 3.92Å; F810-M820 HydrophobicContact CE2-SD 4.14Å; F810-M820 HydrophobicContact CZ-SD 3.81Å; F810-I823 HydrophobicContact CD2-CD1 4.02Å; F810-I823 HydrophobicContact CE2-CD1 3.28Å; F810-I823 HydrophobicContact CZ-CD1 3.74Å | ||
| 811 | E | 87.1 | Confident | 88.3 | Confident | 64 Ų | 64 | 50.5 Ų | 50.5 | 30% | 0.299 | 28% | 0.283 | S | S | . | . | trans | -106 | 121.6 | 166.5 | -177.9 | 52.6 | -99.5 | 0 | 0 | 111.4 | D809 D813 D814 N817 H819 | D809-E811 PolarHBondContact O-N 3.36Å; D809-E811 VanDerWaalsContact O-N 3.08Å; E811-D813 PolarHBondContact OE1-N 2.99Å; E811-D814 HydrophobicContact CG-CB 3.91Å; E811-N817 PolarHBondContact O-ND2 3.27Å; E811-N817 VanDerWaalsContact O-ND2 3.13Å; E811-H819 PolarHBondContact N-CE1 3.33Å; E811-H819 PolarHBondContact N-ND1 2.91Å; E811-H819 PolarHBondContact O-ND1 3.34Å | ||
| 812 | K | 86.5 | Confident | 89.9 | Confident | 37 Ų | 37 | 44.8 Ų | 44.8 | 16% | 0.161 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -90.6 | -22.7 | -177.8 | 71.3 | -144.1 | 165.8 | -65.2 | 0 | 113 | E463 F810 M820 K845 | E463-K812 IonicContact OE1-NZ 3.74Å; F810-K812 HydrophobicContact CE1-CB 3.78Å; F810-K812 HydrophobicContact CZ-CB 3.74Å; K812-M820 HydrophobicContact CB-SD 4.46Å; K812-K845 WeakPolarHBondContact O-CE 3.3Å; K812-K845 PolarHBondContact O-NZ 2.74Å |
| 813 | D | 81.3 | Confident | 91.1 | Very high | 36 Ų | 36 | 43.3 Ų | 43.3 | 19% | 0.193 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -98.6 | 3.4 | -170.8 | -73.5 | -47.4 | 0 | 0 | 0 | 113.8 | R14 E811 K845 | R14-D813 IonicContact CZ-OD2 2.74Å; R14-D813 IonicContact NH2-OD1 3.28Å; R14-D813 IonicContact NH2-OD2 3.34Å; R14-D813 PolarHBondContact NH2-OD2 3.44Å; E811-D813 PolarHBondContact OE1-N 2.99Å; D813-K845 WeakPolarHBondContact OD1-CE 3.34Å; D813-K845 IonicContact OD1-NZ 2.89Å; D813-K845 PolarHBondContact OD1-NZ 2.7Å |
| 814 | D | 83.8 | Confident | 92 | Very high | 63 Ų | 63 | 41.4 Ų | 41.4 | 34% | 0.337 | 21% | 0.213 | S | C | . | . | trans | -109.8 | 110.4 | 169.1 | 174.3 | 11.8 | 0 | 0 | 0 | 110.3 | E811 S816 N817 | E811-D814 HydrophobicContact CG-CB 3.91Å; D814-S816 PolarHBondContact O-N 3.17Å; D814-S816 WeakPolarHBondContact OD1-CA 3.39Å; D814-S816 VanDerWaalsContact OD1-CB 3.3Å; D814-S816 WeakPolarHBondContact OD1-CB 3.43Å; D814-S816 PolarHBondContact OD1-N 2.89Å; D814-S816 PolarHBondContact OD1-OG 2.89Å; D814-S816 PolarHBondContact OD2-OG 3.39Å; D814-N817 WeakPolarHBondContact CB-ND2 3.29Å; D814-N817 PolarHBondContact O-ND2 3.36Å; D814-N817 PolarHBondContact O-OD1 3.33Å | ||
| 815 | D | 85.7 | Confident | 92.5 | Very high | 83 Ų | 83 | 37.1 Ų | 37.1 | 44% | 0.444 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -4.2 | 179.7 | -70.6 | -49.2 | 0 | 0 | 0 | 113.4 | R841 | D815-R841 IonicContact OD1-CZ 3.6Å; D815-R841 VanDerWaalsContact OD1-CZ 3.3Å; D815-R841 IonicContact OD1-NE 2.74Å; D815-R841 PolarHBondContact OD1-NE 3.44Å; D815-R841 IonicContact OD1-NH2 3.84Å; D815-R841 PolarHBondContact OD1-NH2 3.43Å |
| 816 | S | 88.4 | Confident | 92.7 | Very high | 77 Ų | 77 | 37 Ų | 37 | 54% | 0.538 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -15 | -177.9 | 76.8 | 0 | 0 | 0 | 0 | 114.3 | R741 D814 | R741-S816 VanDerWaalsContact NH2-C 3.34Å; R741-S816 PolarHBondContact NH2-O 2.96Å; D814-S816 PolarHBondContact O-N 3.17Å; D814-S816 WeakPolarHBondContact OD1-CA 3.39Å; D814-S816 VanDerWaalsContact OD1-CB 3.3Å; D814-S816 WeakPolarHBondContact OD1-CB 3.43Å; D814-S816 PolarHBondContact OD1-N 2.89Å; D814-S816 PolarHBondContact OD1-OG 2.89Å; D814-S816 PolarHBondContact OD2-OG 3.39Å |
| 817 | N | 92.8 | Very high | 92.8 | Very high | 17 Ų | 17 | 31.3 Ų | 31.3 | 9% | 0.091 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -89.3 | 0.5 | -171.3 | 67.1 | 18.1 | 0 | 0 | 0 | 115.7 | E811 D814 H819 | E811-N817 PolarHBondContact O-ND2 3.27Å; E811-N817 VanDerWaalsContact O-ND2 3.13Å; D814-N817 WeakPolarHBondContact CB-ND2 3.29Å; D814-N817 PolarHBondContact O-ND2 3.36Å; D814-N817 PolarHBondContact O-OD1 3.33Å; N817-H819 VanDerWaalsContact CG-CG 3.4Å; N817-H819 PolarHBondContact ND2-CE1 2.94Å; N817-H819 VanDerWaalsContact ND2-CE1 3.28Å; N817-H819 PolarHBondContact ND2-ND1 2.79Å; N817-H819 PolarHBondContact O-CD2 2.9Å; N817-H819 VanDerWaalsContact O-CD2 3.23Å; N817-H819 PolarHBondContact O-N 3.47Å; N817-H819 VanDerWaalsContact OD1-CB 3.29Å; N817-H819 WeakPolarHBondContact OD1-CB 3.44Å; N817-H819 PolarHBondContact OD1-CD2 3.32Å; N817-H819 PolarHBondContact OD1-N 3.06Å |
| 818 | F | 96.2 | Very high | 93 | Very high | 15 Ų | 15 | 29.9 Ų | 29.9 | 7% | 0.066 | 16% | 0.16 | C | C | . | . | S | Bend | trans | 69.1 | 1.2 | -178.4 | -48.1 | -84.9 | 0 | 0 | 0 | 116.8 | V725 A726 N729 L730 R741 D821 Y822 | V725-F818 HydrophobicContact CG1-CE1 4.38Å; A726-F818 HydrophobicContact CB-CB 4.28Å; N729-F818 HydrophobicContact CB-CD1 4.32Å; N729-F818 HydrophobicContact CB-CD2 3.82Å; N729-F818 HydrophobicContact CB-CE1 4.27Å; N729-F818 HydrophobicContact CB-CE2 3.83Å; N729-F818 HydrophobicContact CB-CG 4.07Å; N729-F818 HydrophobicContact CB-CZ 4.04Å; L730-F818 HydrophobicContact CD2-CB 4.19Å; L730-F818 HydrophobicContact CG-CB 4.19Å; R741-F818 HydrophobicContact CG-CE1 3.64Å; R741-F818 HydrophobicContact CG-CZ 3.66Å; R741-F818 VanDerWaalsContact NE-CZ 3.32Å; R741-F818 VanDerWaalsContact NH2-CE1 3.33Å; F818-D821 PolarHBondContact O-N 3.14Å; F818-Y822 WeakPolarHBondContact O-CB 3.14Å; F818-Y822 PolarHBondContact O-N 3.08Å |
| 819 | H | 96.3 | Very high | 93.1 | Very high | 9 Ų | 9 | 29.1 Ų | 29.1 | 4% | 0.042 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.1 | -55.3 | -176 | -61.2 | 173.4 | 0 | 0 | 0 | 111.8 | F606 I808 D809 F810 E811 N817 D821 Y822 I823 | F606-H819 HydrophobicContact CE2-CB 3.97Å; F606-H819 AromaticContact CE2-CD2 3.75Å; F606-H819 AromaticContact CE2-CG 3.88Å; F606-H819 HydrophobicContact CZ-CB 4.13Å; F606-H819 AromaticContact CZ-CD2 3.61Å; F606-H819 AromaticContact CZ-CG 3.67Å; I808-H819 WeakPolarHBondContact CG2-NE2 3.43Å; D809-H819 PolarHBondContact O-CE1 2.85Å; F810-H819 HydrophobicContact CD2-CB 3.92Å; F810-H819 HydrophobicContact CE2-CB 3.92Å; E811-H819 PolarHBondContact N-CE1 3.33Å; E811-H819 PolarHBondContact N-ND1 2.91Å; E811-H819 PolarHBondContact O-ND1 3.34Å; N817-H819 VanDerWaalsContact CG-CG 3.4Å; N817-H819 PolarHBondContact ND2-CE1 2.94Å; N817-H819 VanDerWaalsContact ND2-CE1 3.28Å; N817-H819 PolarHBondContact ND2-ND1 2.79Å; N817-H819 PolarHBondContact O-CD2 2.9Å; N817-H819 VanDerWaalsContact O-CD2 3.23Å; N817-H819 PolarHBondContact O-N 3.47Å; N817-H819 VanDerWaalsContact OD1-CB 3.29Å; N817-H819 WeakPolarHBondContact OD1-CB 3.44Å; N817-H819 PolarHBondContact OD1-CD2 3.32Å; N817-H819 PolarHBondContact OD1-N 3.06Å; H819-D821 VanDerWaalsContact C-N 3.3Å; H819-D821 PolarHBondContact O-N 2.65Å; H819-Y822 PolarHBondContact O-N 3.19Å; H819-I823 WeakPolarHBondContact O-CG1 2.87Å; H819-I823 PolarHBondContact O-N 3.36Å; H819-I823 VanDerWaalsContact O-N 3.07Å |
| 820 | M | 95.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -68.6 | -31.2 | 177.1 | -75 | -54.9 | -43.4 | 0 | 0 | 111.9 | F810 K812 Y822 I823 V824 K845 | F810-M820 HydrophobicContact CE2-SD 4.14Å; F810-M820 HydrophobicContact CZ-SD 3.81Å; K812-M820 HydrophobicContact CB-SD 4.46Å; M820-Y822 VanDerWaalsContact C-N 3.33Å; M820-Y822 PolarHBondContact O-N 3.43Å; M820-I823 HydrophobicContact CE-CB 4.42Å; M820-I823 HydrophobicContact CE-CG2 4.33Å; M820-I823 PolarHBondContact O-N 3.27Å; M820-I823 HydrophobicContact SD-CD1 4.44Å; M820-V824 HydrophobicContact CE-CG2 4.05Å; M820-V824 WeakPolarHBondContact O-CB 3.49Å; M820-V824 WeakPolarHBondContact O-CG2 3.27Å; M820-V824 PolarHBondContact O-N 2.88Å; M820-K845 VanDerWaalsContact CE-CA 3.42Å; M820-K845 HydrophobicContact CE-CB 3.78Å; M820-K845 HydrophobicContact CE-CG 4.48Å; M820-K845 HydrophobicContact SD-CB 4.24Å; M820-K845 HydrophobicContact SD-CG 4.31Å |
| 821 | D | 96 | Very high | 93.6 | Very high | 32 Ų | 32 | 22.5 Ų | 22.5 | 17% | 0.171 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58 | -48.2 | 174.4 | -57.4 | -13.3 | 0 | 0 | 0 | 110 | A726 R741 F818 H819 A825 R841 | A726-D821 HydrophobicContact CB-CB 3.88Å; R741-D821 IonicContact NH1-OD2 3.73Å; R741-D821 IonicContact NH2-OD2 3.05Å; F818-D821 PolarHBondContact O-N 3.14Å; H819-D821 VanDerWaalsContact C-N 3.3Å; H819-D821 PolarHBondContact O-N 2.65Å; D821-A825 WeakPolarHBondContact O-CB 3.16Å; D821-A825 PolarHBondContact O-N 2.83Å; D821-A825 VanDerWaalsContact O-N 3.13Å; D821-R841 IonicContact OD1-CZ 3.62Å; D821-R841 VanDerWaalsContact OD1-CZ 3.25Å; D821-R841 IonicContact OD1-NH1 3.7Å; D821-R841 PolarHBondContact OD1-NH1 3.4Å; D821-R841 IonicContact OD1-NH2 3.77Å; D821-R841 PolarHBondContact OD1-NH2 2.95Å |
| 822 | Y | 97.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.8 | -50.1 | 176.1 | 175 | -95.1 | 0 | 0 | 0 | 112 | Q605 F606 F610 Y723 A727 L730 F818 H819 M820 V824 A825 A826 | Q605-Y822 HydrophobicContact CB-CE1 4.5Å; F606-Y822 HydrophobicContact CB-CD1 3.99Å; F606-Y822 HydrophobicContact CB-CE1 3.85Å; F606-Y822 AromaticContact CD2-CD1 3.81Å; F606-Y822 HydrophobicContact CD2-CD1 3.81Å; F606-Y822 HydrophobicContact CD2-CE1 4.39Å; F606-Y822 HydrophobicContact CD2-CG 4.47Å; F606-Y822 HydrophobicContact CG-CD1 4.41Å; F610-Y822 HydrophobicContact CE2-CD1 4.13Å; F610-Y822 HydrophobicContact CE2-CD2 4.13Å; F610-Y822 AromaticContact CE2-CE1 3.95Å; F610-Y822 HydrophobicContact CE2-CE1 3.95Å; F610-Y822 AromaticContact CE2-CE2 3.94Å; F610-Y822 HydrophobicContact CE2-CE2 3.94Å; F610-Y822 HydrophobicContact CE2-CG 4.21Å; F610-Y822 AromaticContact CE2-CZ 3.85Å; F610-Y822 HydrophobicContact CZ-CD2 4.36Å; F610-Y822 HydrophobicContact CZ-CE2 4.09Å; Y723-Y822 HydrophobicContact CD2-CE2 4.37Å; Y723-Y822 HydrophobicContact CE2-CD2 4.43Å; Y723-Y822 AromaticContact CE2-CE2 3.79Å; Y723-Y822 HydrophobicContact CE2-CE2 3.79Å; A727-Y822 HydrophobicContact CB-CD2 3.94Å; A727-Y822 HydrophobicContact CB-CE2 3.97Å; L730-Y822 HydrophobicContact CD1-CD2 4.29Å; L730-Y822 HydrophobicContact CD1-CG 3.91Å; F818-Y822 WeakPolarHBondContact O-CB 3.14Å; F818-Y822 PolarHBondContact O-N 3.08Å; H819-Y822 PolarHBondContact O-N 3.19Å; M820-Y822 VanDerWaalsContact C-N 3.33Å; M820-Y822 PolarHBondContact O-N 3.43Å; Y822-V824 PolarHBondContact O-N 2.94Å; Y822-A825 PolarHBondContact O-N 2.91Å; Y822-A826 HydrophobicContact CE1-CB 4.23Å; Y822-A826 HydrophobicContact CE2-CB 4.41Å; Y822-A826 WeakPolarHBondContact O-CB 3.25Å; Y822-A826 PolarHBondContact O-N 3.23Å |
| 823 | I | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.2 | -44.8 | -176.1 | -70.6 | 179.5 | 0 | 0 | 0 | 111.5 | L599 A602 R603 F810 H819 M820 S827 A848 | L599-I823 HydrophobicContact CD2-CG2 3.98Å; A602-I823 HydrophobicContact CB-CG2 4.26Å; R603-I823 HydrophobicContact CB-CD1 4.47Å; F810-I823 HydrophobicContact CD2-CD1 4.02Å; F810-I823 HydrophobicContact CE2-CD1 3.28Å; F810-I823 HydrophobicContact CZ-CD1 3.74Å; H819-I823 WeakPolarHBondContact O-CG1 2.87Å; H819-I823 PolarHBondContact O-N 3.36Å; H819-I823 VanDerWaalsContact O-N 3.07Å; M820-I823 HydrophobicContact CE-CB 4.42Å; M820-I823 HydrophobicContact CE-CG2 4.33Å; M820-I823 PolarHBondContact O-N 3.27Å; M820-I823 HydrophobicContact SD-CD1 4.44Å; I823-S827 WeakPolarHBondContact O-CB 3.4Å; I823-S827 PolarHBondContact O-N 3.16Å; I823-A848 HydrophobicContact CD1-CB 4.23Å; I823-A848 HydrophobicContact CG2-CB 3.67Å |
| 824 | V | 97.4 | Very high | 95.2 | Very high | 17 Ų | 17 | 19.7 Ų | 19.7 | 10% | 0.103 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.5 | -53.8 | 179.5 | 173.1 | 0 | 0 | 0 | 0 | 110 | M820 Y822 A826 S827 N828 R841 | M820-V824 HydrophobicContact CE-CG2 4.05Å; M820-V824 WeakPolarHBondContact O-CB 3.49Å; M820-V824 WeakPolarHBondContact O-CG2 3.27Å; M820-V824 PolarHBondContact O-N 2.88Å; Y822-V824 PolarHBondContact O-N 2.94Å; V824-A826 PolarHBondContact O-N 3.42Å; V824-S827 PolarHBondContact O-N 3.24Å; V824-N828 WeakPolarHBondContact O-CB 3.33Å; V824-N828 VanDerWaalsContact O-CG 3.31Å; V824-N828 PolarHBondContact O-N 3.01Å; V824-R841 HydrophobicContact CG2-CB 4.34Å; V824-R841 HydrophobicContact CG2-CG 4.25Å |
| 825 | A | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.5 | -44.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | T719 E722 D821 Y822 S827 N828 L829 | T719-A825 HydrophobicContact CG2-CB 4.41Å; E722-A825 HydrophobicContact CB-CB 4.22Å; D821-A825 WeakPolarHBondContact O-CB 3.16Å; D821-A825 PolarHBondContact O-N 2.83Å; D821-A825 VanDerWaalsContact O-N 3.13Å; Y822-A825 PolarHBondContact O-N 2.91Å; A825-S827 PolarHBondContact O-N 2.98Å; A825-N828 PolarHBondContact O-N 3.36Å; A825-L829 WeakPolarHBondContact O-CB 3.44Å; A825-L829 WeakPolarHBondContact O-CD1 3.31Å; A825-L829 VanDerWaalsContact O-CG 3.27Å; A825-L829 WeakPolarHBondContact O-CG 3.46Å; A825-L829 PolarHBondContact O-N 3.17Å |
| 826 | A | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.2 | -39.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | W601 A602 Y677 Y723 Y822 V824 R830 | W601-A826 HydrophobicContact CZ3-CB 4.32Å; A602-A826 HydrophobicContact CB-CB 4.04Å; Y677-A826 WeakPolarHBondContact OH-CA 3.02Å; Y677-A826 WeakPolarHBondContact OH-CB 3.24Å; Y677-A826 PolarHBondContact OH-O 2.79Å; Y723-A826 HydrophobicContact CD2-CB 3.92Å; Y723-A826 HydrophobicContact CE2-CB 3.91Å; Y822-A826 HydrophobicContact CE1-CB 4.23Å; Y822-A826 HydrophobicContact CE2-CB 4.41Å; Y822-A826 WeakPolarHBondContact O-CB 3.25Å; Y822-A826 PolarHBondContact O-N 3.23Å; V824-A826 PolarHBondContact O-N 3.42Å; A826-R830 PolarHBondContact O-N 3.04Å |
| 827 | S | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -68.2 | -47.2 | 175.1 | 173.7 | 0 | 0 | 0 | 0 | 111.6 | T598 L599 I823 V824 A825 L829 R830 A831 | T598-S827 WeakPolarHBondContact CB-OG 3.39Å; T598-S827 PolarHBondContact OG1-OG 2.8Å; L599-S827 WeakPolarHBondContact CD2-OG 3.11Å; L599-S827 WeakPolarHBondContact CG-OG 3.17Å; L599-S827 PolarHBondContact N-OG 2.95Å; I823-S827 WeakPolarHBondContact O-CB 3.4Å; I823-S827 PolarHBondContact O-N 3.16Å; V824-S827 PolarHBondContact O-N 3.24Å; A825-S827 PolarHBondContact O-N 2.98Å; S827-L829 PolarHBondContact O-N 2.88Å; S827-R830 CarbonylContact O-C 3.48Å; S827-R830 PolarHBondContact O-N 3.25Å; S827-R830 VanDerWaalsContact O-N 3.13Å; S827-A831 WeakPolarHBondContact O-CB 3.25Å; S827-A831 PolarHBondContact O-N 3.4Å |
| 828 | N | 97.9 | Very high | 95.4 | Very high | 20 Ų | 20 | 20.3 Ų | 20.3 | 11% | 0.107 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -68.6 | -33.9 | -175.1 | -73.6 | -11.3 | 0 | 0 | 0 | 112.4 | T719 V824 A825 R830 A831 E832 A838 A839 | T719-N828 HydrophobicContact CG2-CB 3.96Å; V824-N828 WeakPolarHBondContact O-CB 3.33Å; V824-N828 VanDerWaalsContact O-CG 3.31Å; V824-N828 PolarHBondContact O-N 3.01Å; A825-N828 PolarHBondContact O-N 3.36Å; N828-R830 VanDerWaalsContact C-N 3.35Å; N828-A831 WeakPolarHBondContact O-CB 3.34Å; N828-A831 PolarHBondContact O-N 2.93Å; N828-E832 PolarHBondContact O-N 3.08Å; N828-A838 HydrophobicContact CB-CB 4.27Å; N828-A839 PolarHBondContact ND2-O 3Å; N828-A839 PolarHBondContact OD1-N 3.31Å; N828-A839 VanDerWaalsContact OD1-N 3.17Å; N828-A839 PolarHBondContact OD1-O 2.96Å |
| 829 | L | 98.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.9 | -43.8 | 169.2 | -74 | 166.4 | 0 | 0 | 0 | 111.9 | W673 Y677 L711 T719 H720 Y723 A825 S827 A831 E832 N833 | W673-L829 HydrophobicContact CZ2-CD2 4.35Å; W673-L829 VanDerWaalsContact NE1-CD1 3.33Å; Y677-L829 HydrophobicContact CD1-CB 3.63Å; Y677-L829 HydrophobicContact CD2-CB 4.3Å; Y677-L829 HydrophobicContact CD2-CD1 4.01Å; Y677-L829 HydrophobicContact CE1-CB 3.42Å; Y677-L829 VanDerWaalsContact CE1-CB 3.42Å; Y677-L829 HydrophobicContact CE1-CD1 4.39Å; Y677-L829 HydrophobicContact CE2-CB 4.14Å; Y677-L829 HydrophobicContact CE2-CD1 3.6Å; Y677-L829 HydrophobicContact CE2-CG 4.5Å; Y677-L829 HydrophobicContact CG-CB 4.07Å; L711-L829 HydrophobicContact CD1-CD2 4.15Å; T719-L829 HydrophobicContact CG2-CD2 4.24Å; T719-L829 HydrophobicContact CG2-CG 3.92Å; H720-L829 WeakPolarHBondContact CD2-CD2 3.4Å; Y723-L829 HydrophobicContact CD2-CD1 3.82Å; Y723-L829 HydrophobicContact CG-CD1 3.72Å; A825-L829 WeakPolarHBondContact O-CB 3.44Å; A825-L829 WeakPolarHBondContact O-CD1 3.31Å; A825-L829 VanDerWaalsContact O-CG 3.27Å; A825-L829 WeakPolarHBondContact O-CG 3.46Å; A825-L829 PolarHBondContact O-N 3.17Å; S827-L829 PolarHBondContact O-N 2.88Å; L829-A831 VanDerWaalsContact C-N 3.32Å; L829-E832 WeakPolarHBondContact O-CB 3.38Å; L829-E832 PolarHBondContact O-N 3.03Å; L829-N833 PolarHBondContact O-N 3Å; L829-N833 VanDerWaalsContact O-N 3.09Å; L829-N833 PolarHBondContact O-OD1 2.79Å |
| 830 | R | 97.9 | Very high | 94.8 | Very high | 3 Ų | 3 | 24 Ų | 24 | 1% | 0.011 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -69.2 | -32.7 | 175.7 | -166.9 | 171.8 | -179.9 | 90.5 | -4.7 | 111.8 | L588 K589 T598 W601 Y677 A826 S827 N828 E832 N833 Y834 | L588-R830 PolarHBondContact O-NH2 3.27Å; K589-R830 PolarHBondContact O-NH2 2.94Å; T598-R830 HydrophobicContact CG2-CB 4.09Å; T598-R830 HydrophobicContact CG2-CG 3.93Å; W601-R830 HydrophobicContact CE3-CB 4.36Å; W601-R830 HydrophobicContact CE3-CG 4.48Å; W601-R830 HydrophobicContact CZ3-CB 4.24Å; Y677-R830 HydrophobicContact CE1-CB 4.11Å; A826-R830 PolarHBondContact O-N 3.04Å; S827-R830 CarbonylContact O-C 3.48Å; S827-R830 PolarHBondContact O-N 3.25Å; S827-R830 VanDerWaalsContact O-N 3.13Å; N828-R830 VanDerWaalsContact C-N 3.35Å; R830-E832 VanDerWaalsContact C-N 3.34Å; R830-N833 WeakPolarHBondContact O-CB 3.19Å; R830-N833 PolarHBondContact O-N 3.4Å; R830-Y834 HydrophobicContact CG-CD2 4.46Å; R830-Y834 HydrophobicContact CG-CE2 4.35Å; R830-Y834 VanDerWaalsContact O-CD2 3.32Å; R830-Y834 WeakPolarHBondContact O-CD2 3.33Å |
| 831 | A | 95.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.5 | -44 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | I595 T598 S827 N828 L829 N833 Y834 D835 I836 | I595-A831 HydrophobicContact CD1-CB 3.97Å; T598-A831 HydrophobicContact CG2-CB 4.49Å; S827-A831 WeakPolarHBondContact O-CB 3.25Å; S827-A831 PolarHBondContact O-N 3.4Å; N828-A831 WeakPolarHBondContact O-CB 3.34Å; N828-A831 PolarHBondContact O-N 2.93Å; L829-A831 VanDerWaalsContact C-N 3.32Å; A831-N833 PolarHBondContact O-N 3.31Å; A831-Y834 CarbonylContact O-C 3.5Å; A831-Y834 PolarHBondContact O-N 3.41Å; A831-Y834 VanDerWaalsContact O-N 3.1Å; A831-D835 PolarHBondContact O-N 3.32Å; A831-D835 VanDerWaalsContact O-N 3.08Å; A831-I836 HydrophobicContact CB-CB 3.93Å; A831-I836 HydrophobicContact CB-CG2 4.27Å; A831-I836 WeakPolarHBondContact CB-O 3.41Å; A831-I836 PolarHBondContact O-N 2.9Å |
| 832 | E | 96.6 | Very high | 94.1 | Very high | 75 Ų | 75 | 27.6 Ų | 27.6 | 35% | 0.35 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -59.6 | -41.8 | 175 | -169.1 | -179.1 | 156.9 | 0 | 0 | 112.2 | H709 L711 N828 L829 R830 Y834 D835 | H709-E832 PolarHBondContact CE1-O 3.46Å; H709-E832 PolarHBondContact NE2-O 3.14Å; L711-E832 HydrophobicContact CD1-CB 4.17Å; L711-E832 HydrophobicContact CD1-CG 4.27Å; L711-E832 HydrophobicContact CD2-CB 4.47Å; L711-E832 HydrophobicContact CD2-CG 3.85Å; N828-E832 PolarHBondContact O-N 3.08Å; L829-E832 WeakPolarHBondContact O-CB 3.38Å; L829-E832 PolarHBondContact O-N 3.03Å; R830-E832 VanDerWaalsContact C-N 3.34Å; E832-Y834 PolarHBondContact O-N 3.23Å; E832-Y834 VanDerWaalsContact O-N 3.09Å; E832-D835 PolarHBondContact O-N 3.17Å |
| 833 | N | 97.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -53.3 | -32.8 | 174.9 | -80.2 | 134.4 | 0 | 0 | 0 | 113.6 | Y677 I681 P708 H709 L711 L829 R830 A831 | Y677-N833 WeakPolarHBondContact CD1-OD1 3.3Å; Y677-N833 PolarHBondContact O-ND2 3.39Å; I681-N833 HydrophobicContact CD1-CB 4.19Å; I681-N833 HydrophobicContact CG1-CB 4.5Å; P708-N833 CarbonylContact C-O 3.45Å; P708-N833 WeakPolarHBondContact CA-O 3.18Å; P708-N833 WeakPolarHBondContact CB-O 3.39Å; H709-N833 PolarHBondContact N-O 3.46Å; H709-N833 PolarHBondContact O-ND2 2.89Å; L711-N833 WeakPolarHBondContact CG-ND2 3.03Å; L829-N833 PolarHBondContact O-N 3Å; L829-N833 VanDerWaalsContact O-N 3.09Å; L829-N833 PolarHBondContact O-OD1 2.79Å; R830-N833 WeakPolarHBondContact O-CB 3.19Å; R830-N833 PolarHBondContact O-N 3.4Å; A831-N833 PolarHBondContact O-N 3.31Å |
| 834 | Y | 94.4 | Very high | 93.3 | Very high | 3 Ų | 3 | 30.6 Ų | 30.6 | 1% | 0.012 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 14 | -173.3 | -68.6 | -98.8 | 0 | 0 | 0 | 112.6 | N590 P592 I681 L684 R706 P708 R830 A831 E832 I836 | N590-Y834 WeakPolarHBondContact O-CE1 3.49Å; N590-Y834 PolarHBondContact O-OH 2.69Å; P592-Y834 HydrophobicContact CG-CD1 3.95Å; P592-Y834 HydrophobicContact CG-CD2 3.61Å; P592-Y834 HydrophobicContact CG-CE1 3.99Å; P592-Y834 HydrophobicContact CG-CE2 3.66Å; P592-Y834 HydrophobicContact CG-CG 3.77Å; I681-Y834 HydrophobicContact CD1-CE2 3.94Å; L684-Y834 WeakPolarHBondContact CD2-OH 3.27Å; R706-Y834 HydrophobicContact CB-CD1 4.46Å; R706-Y834 WeakPolarHBondContact CD-O 3.18Å; R706-Y834 PolarHBondContact NE-O 3.16Å; R706-Y834 WeakPolarHBondContact O-CD1 3.4Å; P708-Y834 HydrophobicContact CB-CD1 3.84Å; P708-Y834 HydrophobicContact CB-CD2 4.32Å; P708-Y834 HydrophobicContact CB-CE1 3.66Å; P708-Y834 HydrophobicContact CB-CE2 4.17Å; P708-Y834 HydrophobicContact CB-CG 4.17Å; P708-Y834 HydrophobicContact CG-CD1 4.41Å; P708-Y834 HydrophobicContact CG-CE1 3.88Å; R830-Y834 HydrophobicContact CG-CD2 4.46Å; R830-Y834 HydrophobicContact CG-CE2 4.35Å; R830-Y834 VanDerWaalsContact O-CD2 3.32Å; R830-Y834 WeakPolarHBondContact O-CD2 3.33Å; A831-Y834 CarbonylContact O-C 3.5Å; A831-Y834 PolarHBondContact O-N 3.41Å; A831-Y834 VanDerWaalsContact O-N 3.1Å; E832-Y834 PolarHBondContact O-N 3.23Å; E832-Y834 VanDerWaalsContact O-N 3.09Å; Y834-I836 PolarHBondContact O-N 3.31Å |
| 835 | D | 89.3 | Confident | 93 | Very high | 92 Ų | 92 | 30.7 Ų | 30.7 | 49% | 0.492 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 37.6 | -175.6 | -57.1 | -43.4 | 0 | 0 | 0 | 113.2 | R706 H709 A831 E832 | R706-D835 VanDerWaalsContact CZ-O 3.31Å; R706-D835 PolarHBondContact NH2-O 3.42Å; H709-D835 IonicContact CD2-OD1 3.96Å; H709-D835 IonicContact CD2-OD2 3.89Å; H709-D835 IonicContact CE1-OD1 2.84Å; H709-D835 IonicContact NE2-OD1 2.68Å; H709-D835 PolarHBondContact NE2-OD1 3.48Å; H709-D835 IonicContact NE2-OD2 3.81Å; A831-D835 PolarHBondContact O-N 3.32Å; A831-D835 VanDerWaalsContact O-N 3.08Å; E832-D835 PolarHBondContact O-N 3.17Å |
| 836 | I | 88.6 | Confident | 92.5 | Very high | 11 Ų | 11 | 33.5 Ų | 33.5 | 6% | 0.056 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -89.3 | 135.1 | 175.6 | -60.5 | 166.9 | 0 | 0 | 0 | 108.1 | P592 I595 T598 A831 Y834 A838 | P592-I836 HydrophobicContact CB-CD1 4.05Å; P592-I836 HydrophobicContact CG-CD1 4.43Å; I595-I836 HydrophobicContact CB-CG2 4.29Å; T598-I836 HydrophobicContact CG2-CD1 3.99Å; A831-I836 HydrophobicContact CB-CB 3.93Å; A831-I836 HydrophobicContact CB-CG2 4.27Å; A831-I836 WeakPolarHBondContact CB-O 3.41Å; A831-I836 PolarHBondContact O-N 2.9Å; Y834-I836 PolarHBondContact O-N 3.31Å; I836-A838 PolarHBondContact O-N 3.3Å |
| 837 | P | 86 | Confident | 91.9 | Very high | 82 Ų | 82 | 35.2 Ų | 35.2 | 53% | 0.532 | 19% | 0.185 | S | C | . | . | P | Polyproline II helix | trans | -56.1 | 127.8 | 174.1 | -26 | 34.7 | 0 | 0 | 0 | 112.1 | ||
| 838 | A | 89.8 | Confident | 91.4 | Very high | 68 Ų | 68 | 35.5 Ų | 35.5 | 56% | 0.562 | 19% | 0.188 | S | C | * | . | P | Polyproline II helix | trans | -64.4 | 148.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | N828 I836 | N828-A838 HydrophobicContact CB-CB 4.27Å; I836-A838 PolarHBondContact O-N 3.3Å |
| 839 | A | 90.2 | Very high | 90.7 | Very high | 4 Ų | 4 | 35.1 Ų | 35.1 | 3% | 0.033 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -97.2 | 145.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | I595 N828 Q843 | I595-A839 HydrophobicContact CD1-CB 4.02Å; I595-A839 HydrophobicContact CG1-CB 3.45Å; I595-A839 VanDerWaalsContact CG1-CB 3.45Å; N828-A839 PolarHBondContact ND2-O 3Å; N828-A839 PolarHBondContact OD1-N 3.31Å; N828-A839 VanDerWaalsContact OD1-N 3.17Å; N828-A839 PolarHBondContact OD1-O 2.96Å; A839-Q843 HydrophobicContact CB-CB 4.09Å; A839-Q843 HydrophobicContact CB-CG 3.99Å |
| 840 | D | 89.9 | Confident | 90 | Very high | 97 Ų | 97 | 43.9 Ų | 43.9 | 52% | 0.519 | 22% | 0.222 | S | C | . | . | P | Polyproline II helix | trans | -72.9 | 168.6 | 166.3 | 68.9 | 32.2 | 0 | 0 | 0 | 111.5 | H842 Q843 S844 | D840-H842 PolarHBondContact O-N 2.89Å; D840-H842 WeakPolarHBondContact OD1-CA 3.32Å; D840-H842 WeakPolarHBondContact OD1-CB 3.47Å; D840-H842 PolarHBondContact OD1-N 3.22Å; D840-Q843 PolarHBondContact O-N 2.97Å; D840-Q843 WeakPolarHBondContact OD1-CB 3.39Å; D840-Q843 PolarHBondContact OD1-N 3.14Å; D840-S844 WeakPolarHBondContact O-CB 3.45Å; D840-S844 PolarHBondContact O-N 2.9Å; D840-S844 PolarHBondContact O-OG 3.2Å |
| 841 | R | 90.2 | Very high | 89.4 | Confident | 76 Ų | 76 | 44.2 Ų | 44.2 | 29% | 0.287 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -55.7 | -39.1 | 179.7 | -172.2 | -170.9 | -167.5 | 85.3 | -5.5 | 112.4 | D815 D821 V824 S844 K845 | D815-R841 IonicContact OD1-CZ 3.6Å; D815-R841 VanDerWaalsContact OD1-CZ 3.3Å; D815-R841 IonicContact OD1-NE 2.74Å; D815-R841 PolarHBondContact OD1-NE 3.44Å; D815-R841 IonicContact OD1-NH2 3.84Å; D815-R841 PolarHBondContact OD1-NH2 3.43Å; D821-R841 IonicContact OD1-CZ 3.62Å; D821-R841 VanDerWaalsContact OD1-CZ 3.25Å; D821-R841 IonicContact OD1-NH1 3.7Å; D821-R841 PolarHBondContact OD1-NH1 3.4Å; D821-R841 IonicContact OD1-NH2 3.77Å; D821-R841 PolarHBondContact OD1-NH2 2.95Å; V824-R841 HydrophobicContact CG2-CB 4.34Å; V824-R841 HydrophobicContact CG2-CG 4.25Å; R841-S844 PolarHBondContact O-N 3.35Å; R841-K845 WeakPolarHBondContact O-CB 3.49Å; R841-K845 PolarHBondContact O-N 3.27Å |
| 842 | H | 86.7 | Confident | 89 | Confident | 32 Ų | 32 | 47.8 Ų | 47.8 | 15% | 0.148 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.6 | -48.8 | -176.1 | 178.7 | -99.1 | 0 | 0 | 0 | 110.7 | E9 Y17 H21 D840 K845 R846 | E9-H842 IonicContact OE2-CD2 3.1Å; Y17-H842 AromaticContact CD1-CE1 3.45Å; Y17-H842 VanDerWaalsContact CD1-CE1 3.45Å; Y17-H842 WeakPolarHBondContact CD1-CE1 3.32Å; Y17-H842 AromaticContact CD1-NE2 3.8Å; Y17-H842 AromaticContact CE1-CD2 3.85Å; Y17-H842 AromaticContact CE1-CE1 3.1Å; Y17-H842 WeakPolarHBondContact CE1-CE1 3.44Å; Y17-H842 AromaticContact CE1-CG 3.98Å; Y17-H842 AromaticContact CE1-ND1 3.54Å; Y17-H842 AromaticContact CE1-NE2 3.29Å; Y17-H842 VanDerWaalsContact CE1-NE2 3.29Å; Y17-H842 WeakPolarHBondContact CE1-NE2 3.28Å; Y17-H842 AromaticContact CZ-CD2 3.95Å; Y17-H842 AromaticContact CZ-CE1 3.92Å; Y17-H842 AromaticContact CZ-NE2 3.63Å; Y17-H842 PolarHBondContact OH-O 3.22Å; H21-H842 AromaticContact CE1-CE1 3.74Å; H21-H842 AromaticContact CE1-ND1 3.94Å; H21-H842 AromaticContact CE1-NE2 3.83Å; D840-H842 PolarHBondContact O-N 2.89Å; D840-H842 WeakPolarHBondContact OD1-CA 3.32Å; D840-H842 WeakPolarHBondContact OD1-CB 3.47Å; D840-H842 PolarHBondContact OD1-N 3.22Å; H842-K845 PolarHBondContact O-N 3.22Å; H842-R846 PolarHBondContact O-N 3.43Å |
| 843 | Q | 86.8 | Confident | 88.8 | Confident | 62 Ų | 62 | 45.5 Ų | 45.5 | 29% | 0.29 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62 | -44.3 | 173.8 | -178.2 | 177.3 | 4.4 | 0 | 0 | 111.5 | A839 D840 R846 I847 | A839-Q843 HydrophobicContact CB-CB 4.09Å; A839-Q843 HydrophobicContact CB-CG 3.99Å; D840-Q843 PolarHBondContact O-N 2.97Å; D840-Q843 WeakPolarHBondContact OD1-CB 3.39Å; D840-Q843 PolarHBondContact OD1-N 3.14Å; Q843-R846 WeakPolarHBondContact O-CB 3.36Å; Q843-R846 PolarHBondContact O-N 3.09Å; Q843-I847 HydrophobicContact CG-CD1 3.84Å; Q843-I847 WeakPolarHBondContact O-CG1 3.37Å; Q843-I847 PolarHBondContact O-N 3.47Å |
| 844 | S | 91.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61 | -45.2 | 177.1 | -62.5 | 0 | 0 | 0 | 0 | 112.2 | L599 D840 R841 R846 I847 A848 | L599-S844 WeakPolarHBondContact CD2-OG 3.43Å; D840-S844 WeakPolarHBondContact O-CB 3.45Å; D840-S844 PolarHBondContact O-N 2.9Å; D840-S844 PolarHBondContact O-OG 3.2Å; R841-S844 PolarHBondContact O-N 3.35Å; S844-R846 VanDerWaalsContact C-N 3.3Å; S844-R846 PolarHBondContact O-N 3.31Å; S844-I847 PolarHBondContact O-N 3.23Å; S844-A848 VanDerWaalsContact O-CB 3.28Å; S844-A848 WeakPolarHBondContact O-CB 3.14Å; S844-A848 PolarHBondContact O-N 3.49Å |
| 845 | K | 90.9 | Very high | 88.8 | Confident | 19 Ų | 19 | 45.8 Ų | 45.8 | 8% | 0.083 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.4 | -38 | 178.3 | -178.6 | 168 | 170.1 | 166.1 | 0 | 111.5 | K812 D813 M820 R841 H842 G849 I851 | K812-K845 WeakPolarHBondContact O-CE 3.3Å; K812-K845 PolarHBondContact O-NZ 2.74Å; D813-K845 WeakPolarHBondContact OD1-CE 3.34Å; D813-K845 IonicContact OD1-NZ 2.89Å; D813-K845 PolarHBondContact OD1-NZ 2.7Å; M820-K845 VanDerWaalsContact CE-CA 3.42Å; M820-K845 HydrophobicContact CE-CB 3.78Å; M820-K845 HydrophobicContact CE-CG 4.48Å; M820-K845 HydrophobicContact SD-CB 4.24Å; M820-K845 HydrophobicContact SD-CG 4.31Å; R841-K845 WeakPolarHBondContact O-CB 3.49Å; R841-K845 PolarHBondContact O-N 3.27Å; H842-K845 PolarHBondContact O-N 3.22Å; K845-G849 VanDerWaalsContact O-CA 3.29Å; K845-G849 WeakPolarHBondContact O-CA 3.46Å; K845-G849 PolarHBondContact O-N 3.25Å; K845-I851 HydrophobicContact CD-CD1 4.5Å; K845-I851 HydrophobicContact CG-CD1 3.74Å |
| 846 | R | 87 | Confident | 89.2 | Confident | 60 Ų | 60 | 41.4 Ų | 41.4 | 23% | 0.226 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.8 | -52.5 | 174.4 | -165.6 | -178.4 | 67.8 | -178.4 | 0.1 | 112.2 | Y17 M172 H842 Q843 S844 R850 I851 | Y17-R846 HydrophobicContact CD1-CB 4.06Å; Y17-R846 HydrophobicContact CD1-CG 3.74Å; Y17-R846 HydrophobicContact CD2-CG 4.34Å; Y17-R846 HydrophobicContact CE1-CB 3.43Å; Y17-R846 VanDerWaalsContact CE1-CB 3.43Å; Y17-R846 HydrophobicContact CE1-CG 3.65Å; Y17-R846 HydrophobicContact CE2-CB 4.37Å; Y17-R846 HydrophobicContact CE2-CG 4.31Å; Y17-R846 HydrophobicContact CG-CG 4.08Å; Y17-R846 PolarHBondContact OH-N 3.28Å; M172-R846 VanDerWaalsContact SD-CZ 3.57Å; M172-R846 PolarHBondContact SD-NH1 3.49Å; M172-R846 PolarHBondContact SD-NH2 3.35Å; H842-R846 PolarHBondContact O-N 3.43Å; Q843-R846 WeakPolarHBondContact O-CB 3.36Å; Q843-R846 PolarHBondContact O-N 3.09Å; S844-R846 VanDerWaalsContact C-N 3.3Å; S844-R846 PolarHBondContact O-N 3.31Å; R846-R850 PolarHBondContact O-N 3.28Å; R846-I851 HydrophobicContact CG-CB 4.46Å; R846-I851 PolarHBondContact O-N 3.43Å |
| 847 | I | 85.9 | Confident | 89.7 | Confident | 35 Ų | 35 | 40.9 Ų | 40.9 | 18% | 0.179 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -76.4 | -54.9 | -170.8 | -63.7 | 160.9 | 0 | 0 | 0 | 109.9 | E596 L599 Q843 S844 G849 R850 | E596-I847 HydrophobicContact CB-CG2 4.37Å; E596-I847 HydrophobicContact CG-CD1 4.13Å; E596-I847 HydrophobicContact CG-CG2 4.22Å; L599-I847 HydrophobicContact CB-CG2 4.13Å; L599-I847 HydrophobicContact CD1-CB 3.88Å; L599-I847 HydrophobicContact CD1-CD1 3.62Å; L599-I847 HydrophobicContact CD1-CG1 4.35Å; L599-I847 HydrophobicContact CD1-CG2 3.97Å; Q843-I847 HydrophobicContact CG-CD1 3.84Å; Q843-I847 WeakPolarHBondContact O-CG1 3.37Å; Q843-I847 PolarHBondContact O-N 3.47Å; S844-I847 PolarHBondContact O-N 3.23Å; I847-G849 VanDerWaalsContact C-N 3.35Å; I847-G849 PolarHBondContact O-N 3.24Å; I847-R850 PolarHBondContact O-N 3.24Å; I847-R850 VanDerWaalsContact O-N 3.13Å |
| 848 | A | 87.3 | Confident | 90.3 | Very high | 6 Ų | 6 | 37 Ų | 37 | 5% | 0.05 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.8 | -33.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I823 S844 R850 | I823-A848 HydrophobicContact CD1-CB 4.23Å; I823-A848 HydrophobicContact CG2-CB 3.67Å; S844-A848 VanDerWaalsContact O-CB 3.28Å; S844-A848 WeakPolarHBondContact O-CB 3.14Å; S844-A848 PolarHBondContact O-N 3.49Å; A848-R850 PolarHBondContact O-N 2.92Å |
| 849 | G | 84.1 | Confident | 90.7 | Very high | 13 Ų | 13 | 33.8 Ų | 33.8 | 13% | 0.134 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -0.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | K845 I847 I851 | K845-G849 VanDerWaalsContact O-CA 3.29Å; K845-G849 WeakPolarHBondContact O-CA 3.46Å; K845-G849 PolarHBondContact O-N 3.25Å; I847-G849 VanDerWaalsContact C-N 3.35Å; I847-G849 PolarHBondContact O-N 3.24Å; G849-I851 PolarHBondContact O-N 3.43Å; G849-I851 VanDerWaalsContact O-N 3.12Å |
| 850 | R | 84.1 | Confident | 91.2 | Very high | 184 Ų | 184 | 33.6 Ų | 33.6 | 69% | 0.694 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 44.8 | 43.7 | -174.3 | -61.5 | -177.2 | 178.8 | 177.4 | 0.4 | 111.8 | R846 I847 A848 I852 | R846-R850 PolarHBondContact O-N 3.28Å; I847-R850 PolarHBondContact O-N 3.24Å; I847-R850 VanDerWaalsContact O-N 3.13Å; A848-R850 PolarHBondContact O-N 2.92Å; R850-I852 PolarHBondContact O-N 3.01Å |
| 851 | I | 85.1 | Confident | 91.6 | Very high | 9 Ų | 9 | 29 Ų | 29 | 5% | 0.046 | 13% | 0.132 | C | C | . | . | P | Polyproline II helix | trans | -69.8 | 118.1 | -174.4 | -67.3 | -173.3 | 0 | 0 | 0 | 109.1 | R14 Y17 K845 R846 G849 P853 | R14-I851 VanDerWaalsContact NH1-CG1 3.32Å; Y17-I851 HydrophobicContact CD2-CB 4.49Å; Y17-I851 HydrophobicContact CD2-CG2 3.47Å; Y17-I851 VanDerWaalsContact CD2-CG2 3.47Å; Y17-I851 HydrophobicContact CE2-CB 4.15Å; Y17-I851 HydrophobicContact CE2-CD1 3.88Å; Y17-I851 HydrophobicContact CE2-CG2 3.43Å; Y17-I851 VanDerWaalsContact CE2-CG2 3.43Å; K845-I851 HydrophobicContact CD-CD1 4.5Å; K845-I851 HydrophobicContact CG-CD1 3.74Å; R846-I851 HydrophobicContact CG-CB 4.46Å; R846-I851 PolarHBondContact O-N 3.43Å; G849-I851 PolarHBondContact O-N 3.43Å; G849-I851 VanDerWaalsContact O-N 3.12Å; I851-P853 VanDerWaalsContact O-CD 3.31Å; I851-P853 WeakPolarHBondContact O-CD 3.48Å |
| 852 | I | 87.4 | Confident | 92 | Very high | 75 Ų | 75 | 25.3 Ų | 25.3 | 39% | 0.385 | 12% | 0.118 | S | C | . | . | P | Polyproline II helix | trans | -77.3 | 117.9 | 169.4 | -57.4 | 176.8 | 0 | 0 | 0 | 108.3 | D530 L555 R850 | D530-I852 WeakPolarHBondContact O-CD1 3.15Å; L555-I852 HydrophobicContact CD1-CG2 3.74Å; R850-I852 PolarHBondContact O-N 3.01Å |
| 853 | P | 91.5 | Very high | 92.5 | Very high | 28 Ų | 28 | 23.8 Ų | 23.8 | 18% | 0.182 | 11% | 0.111 | C | C | . | . | P | Polyproline II helix | trans | -58.5 | 139.4 | 171.4 | -22.5 | 33.5 | 0 | 0 | 0 | 110.6 | V18 G556 I851 | V18-P853 HydrophobicContact CG2-CB 3.69Å; G556-P853 PolarHBondContact N-O 2.9Å; I851-P853 VanDerWaalsContact O-CD 3.31Å; I851-P853 WeakPolarHBondContact O-CD 3.48Å |
| 854 | A | 94.9 | Very high | 93.1 | Very high | 8 Ų | 8 | 20.9 Ų | 20.9 | 7% | 0.066 | 10% | 0.098 | C | C | . | . | B | Isolated β-bridge | trans | -156.2 | 147.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | R14 Q15 | R14-A854 CarbonylContact C-O 3.48Å; R14-A854 VanDerWaalsContact C-O 3.32Å; R14-A854 HydrophobicContact CB-CB 4.38Å; R14-A854 PolarHBondContact O-N 2.87Å; Q15-A854 PolarHBondContact N-O 3.36Å |
| 855 | I | 97.5 | Very high | 93.4 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | trans | -141.4 | 150 | 178.8 | -168 | 167.4 | 0 | 0 | 0 | 110.6 | Q15 V18 L19 I364 T857 T859 | Q15-I855 HydrophobicContact CG-CD1 3.98Å; Q15-I855 HydrophobicContact CG-CG1 4.14Å; V18-I855 HydrophobicContact CG1-CG2 4.38Å; L19-I855 HydrophobicContact CD1-CD1 4.13Å; L19-I855 HydrophobicContact CD2-CD1 4.3Å; L19-I855 HydrophobicContact CG-CD1 4.31Å; I364-I855 HydrophobicContact CD1-CD1 3.85Å; I855-T857 VanDerWaalsContact C-N 3.31Å; I855-T857 VanDerWaalsContact CG2-OG1 3.29Å; I855-T857 WeakPolarHBondContact CG2-OG1 3.47Å; I855-T857 PolarHBondContact O-N 3.48Å; I855-T859 PolarHBondContact O-N 2.99Å; I855-T859 PolarHBondContact O-OG1 3.26Å | ||
| 856 | A | 98.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63 | -34.6 | -176 | 0 | 0 | 0 | 0 | 0 | 113.3 | N47 L50 R469 T859 A860 | N47-A856 WeakPolarHBondContact OD1-CB 3.27Å; N47-A856 PolarHBondContact OD1-O 3.37Å; L50-A856 HydrophobicContact CB-CB 4.46Å; L50-A856 HydrophobicContact CD1-CB 4.06Å; R469-A856 HydrophobicContact CB-CB 4.27Å; A856-T859 WeakPolarHBondContact O-CB 3.38Å; A856-T859 PolarHBondContact O-N 3.27Å; A856-A860 WeakPolarHBondContact O-CB 3.22Å; A856-A860 PolarHBondContact O-N 3.14Å |
| 857 | T | 98.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -58.8 | -55.8 | -179 | 48.1 | 0 | 0 | 0 | 0 | 112.7 | N47 G357 A360 Q361 I364 I855 T859 A860 A861 | N47-T857 HydrophobicContact CB-CG2 4.16Å; G357-T857 WeakPolarHBondContact CA-O 3.37Å; G357-T857 WeakPolarHBondContact O-CB 3.49Å; A360-T857 HydrophobicContact CB-CG2 3.9Å; Q361-T857 HydrophobicContact CB-CG2 4.14Å; Q361-T857 PolarHBondContact OE1-OG1 3.36Å; I364-T857 HydrophobicContact CD1-CG2 3.83Å; I855-T857 VanDerWaalsContact C-N 3.31Å; I855-T857 VanDerWaalsContact CG2-OG1 3.29Å; I855-T857 WeakPolarHBondContact CG2-OG1 3.47Å; I855-T857 PolarHBondContact O-N 3.48Å; T857-T859 VanDerWaalsContact C-N 3.28Å; T857-T859 PolarHBondContact O-N 3.49Å; T857-A860 PolarHBondContact O-N 3.13Å; T857-A861 PolarHBondContact O-N 2.98Å |
| 858 | T | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -63.1 | -36.8 | 177.4 | -53.1 | 0 | 0 | 0 | 0 | 111.5 | T554 G556 S557 K558 A861 V862 L888 | T554-T858 HydrophobicContact CG2-CG2 4.19Å; G556-T858 WeakPolarHBondContact O-CB 3.38Å; G556-T858 PolarHBondContact O-OG1 3.13Å; S557-T858 WeakPolarHBondContact CA-OG1 3.4Å; S557-T858 PolarHBondContact O-OG1 3.03Å; K558-T858 WeakPolarHBondContact O-CG2 3.19Å; T858-A861 PolarHBondContact O-N 2.98Å; T858-V862 HydrophobicContact CG2-CG2 4.49Å; T858-V862 WeakPolarHBondContact O-CB 3.33Å; T858-V862 WeakPolarHBondContact O-CG2 3.35Å; T858-V862 PolarHBondContact O-N 3.37Å; T858-L888 HydrophobicContact CG2-CD1 3.89Å |
| 859 | T | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.7 | -48.3 | 177.7 | -51.7 | 0 | 0 | 0 | 0 | 111.5 | A432 I433 E436 I855 A856 T857 A861 V862 A863 | A432-T859 HydrophobicContact CB-CG2 3.69Å; A432-T859 WeakPolarHBondContact O-CG2 3.37Å; I433-T859 HydrophobicContact CB-CG2 4.5Å; I433-T859 HydrophobicContact CG1-CG2 3.94Å; E436-T859 HydrophobicContact CG-CG2 3.79Å; I855-T859 PolarHBondContact O-N 2.99Å; I855-T859 PolarHBondContact O-OG1 3.26Å; A856-T859 WeakPolarHBondContact O-CB 3.38Å; A856-T859 PolarHBondContact O-N 3.27Å; T857-T859 VanDerWaalsContact C-N 3.28Å; T857-T859 PolarHBondContact O-N 3.49Å; T859-A861 VanDerWaalsContact C-N 3.34Å; T859-A861 PolarHBondContact O-N 2.77Å; T859-V862 PolarHBondContact O-N 2.97Å; T859-A863 WeakPolarHBondContact O-CB 3.33Å; T859-A863 PolarHBondContact O-N 3.3Å |
| 860 | A | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62.3 | -41.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E43 A353 A856 T857 A863 G864 | E43-A860 WeakPolarHBondContact OE1-CB 3.44Å; A353-A860 CarbonylContact O-C 3.52Å; A856-A860 WeakPolarHBondContact O-CB 3.22Å; A856-A860 PolarHBondContact O-N 3.14Å; T857-A860 PolarHBondContact O-N 3.13Å; A860-A863 PolarHBondContact O-N 3.4Å; A860-G864 PolarHBondContact O-N 3.36Å |
| 861 | A | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -61.6 | -47.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | F354 L358 T857 T858 T859 G864 L865 L888 | F354-A861 HydrophobicContact CD2-CB 4.16Å; L358-A861 HydrophobicContact CD1-CB 3.75Å; T857-A861 PolarHBondContact O-N 2.98Å; T858-A861 PolarHBondContact O-N 2.98Å; T859-A861 VanDerWaalsContact C-N 3.34Å; T859-A861 PolarHBondContact O-N 2.77Å; A861-G864 PolarHBondContact O-N 3Å; A861-L865 WeakPolarHBondContact O-CG 3.4Å; A861-L865 PolarHBondContact O-N 3.27Å; A861-L865 VanDerWaalsContact O-N 3.16Å; A861-L888 HydrophobicContact CB-CD2 4.4Å |
| 862 | V | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -62.7 | -46.7 | 177.2 | 167.5 | 0 | 0 | 0 | 0 | 111 | I433 T554 T561 T858 T859 G864 L865 M866 L888 | I433-V862 HydrophobicContact CD1-CG1 4.38Å; T554-V862 HydrophobicContact CG2-CB 4.28Å; T554-V862 HydrophobicContact CG2-CG2 4Å; T561-V862 HydrophobicContact CG2-CG1 3.97Å; T858-V862 HydrophobicContact CG2-CG2 4.49Å; T858-V862 WeakPolarHBondContact O-CB 3.33Å; T858-V862 WeakPolarHBondContact O-CG2 3.35Å; T858-V862 PolarHBondContact O-N 3.37Å; T859-V862 PolarHBondContact O-N 2.97Å; V862-G864 VanDerWaalsContact C-N 3.34Å; V862-G864 PolarHBondContact O-N 3.37Å; V862-L865 PolarHBondContact O-N 2.95Å; V862-M866 HydrophobicContact CG1-CG 4.46Å; V862-M866 HydrophobicContact CG1-SD 4.07Å; V862-M866 WeakPolarHBondContact O-CG 3.3Å; V862-M866 PolarHBondContact O-N 3.04Å; V862-L888 HydrophobicContact CG2-CD2 4.27Å |
| 863 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 4.1 Ų | 4.1 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -63.3 | -38.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E436 L437 T859 A860 M866 C867 | E436-A863 HydrophobicContact CB-CB 3.41Å; E436-A863 VanDerWaalsContact CB-CB 3.41Å; E436-A863 HydrophobicContact CG-CB 4.4Å; L437-A863 HydrophobicContact CD2-CB 4.18Å; L437-A863 HydrophobicContact CG-CB 4.43Å; T859-A863 WeakPolarHBondContact O-CB 3.33Å; T859-A863 PolarHBondContact O-N 3.3Å; A860-A863 PolarHBondContact O-N 3.4Å; A863-M866 PolarHBondContact O-N 3.1Å; A863-C867 PolarHBondContact O-N 2.81Å; A863-C867 PolarHBondContact O-SG 3Å |
| 864 | G | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -57.8 | -49.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | P350 A860 A861 V862 M866 C867 L868 | P350-G864 WeakPolarHBondContact CB-O 3.29Å; P350-G864 WeakPolarHBondContact O-CA 3.27Å; A860-G864 PolarHBondContact O-N 3.36Å; A861-G864 PolarHBondContact O-N 3Å; V862-G864 VanDerWaalsContact C-N 3.34Å; V862-G864 PolarHBondContact O-N 3.37Å; G864-M866 PolarHBondContact O-N 3.24Å; G864-C867 PolarHBondContact O-N 2.65Å; G864-L868 WeakPolarHBondContact O-CG 3.23Å; G864-L868 PolarHBondContact O-N 3.23Å; G864-L868 VanDerWaalsContact O-N 3.09Å |
| 865 | L | 98.6 | Very high | 98.4 | Very high | 9 Ų | 9 | 4.2 Ų | 4.2 | 5% | 0.047 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -63.1 | -39.9 | 177.4 | -67.3 | 169.3 | 0 | 0 | 0 | 112.6 | F354 F380 T561 A861 V862 C867 L868 E869 A886 L888 F895 | F354-L865 HydrophobicContact CD2-CD1 4.01Å; F354-L865 HydrophobicContact CD2-CD2 3.93Å; F354-L865 HydrophobicContact CD2-CG 3.75Å; F354-L865 HydrophobicContact CE2-CD1 3.88Å; F354-L865 HydrophobicContact CE2-CD2 4.03Å; F354-L865 HydrophobicContact CE2-CG 4.05Å; F354-L865 HydrophobicContact CG-CD2 4.3Å; F354-L865 HydrophobicContact CG-CG 4.43Å; F354-L865 HydrophobicContact CZ-CD2 4.47Å; F380-L865 HydrophobicContact CE2-CD2 4.23Å; F380-L865 HydrophobicContact CZ-CD2 3.94Å; T561-L865 HydrophobicContact CG2-CB 3.75Å; A861-L865 WeakPolarHBondContact O-CG 3.4Å; A861-L865 PolarHBondContact O-N 3.27Å; A861-L865 VanDerWaalsContact O-N 3.16Å; V862-L865 PolarHBondContact O-N 2.95Å; L865-C867 VanDerWaalsContact C-N 3.31Å; L865-C867 PolarHBondContact O-N 2.97Å; L865-L868 HydrophobicContact CD2-CD1 4.24Å; L865-L868 PolarHBondContact O-N 3.34Å; L865-E869 PolarHBondContact O-N 3.45Å; L865-A886 HydrophobicContact CD1-CB 3.83Å; L865-L888 HydrophobicContact CD1-CD2 3.63Å; L865-F895 HydrophobicContact CD1-CE2 4.09Å; L865-F895 HydrophobicContact CD2-CZ 4.39Å |
| 866 | M | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 5.5 Ų | 5.5 | 1% | 0.005 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -59.9 | -42.1 | 174.3 | -68.4 | 173.6 | 73.4 | 0 | 0 | 111.7 | I433 L437 L550 T561 V862 A863 G864 L868 E869 L870 | I433-M866 HydrophobicContact CG2-SD 4.01Å; L437-M866 HydrophobicContact CD1-CE 3.79Å; L437-M866 HydrophobicContact CD1-SD 4.32Å; L437-M866 HydrophobicContact CD2-CB 4.06Å; L437-M866 HydrophobicContact CD2-CE 4.26Å; L437-M866 HydrophobicContact CD2-SD 4.19Å; L550-M866 HydrophobicContact CB-CE 3.93Å; L550-M866 WeakPolarHBondContact CD2-O 3.49Å; T561-M866 HydrophobicContact CG2-CG 3.66Å; V862-M866 HydrophobicContact CG1-CG 4.46Å; V862-M866 HydrophobicContact CG1-SD 4.07Å; V862-M866 WeakPolarHBondContact O-CG 3.3Å; V862-M866 PolarHBondContact O-N 3.04Å; A863-M866 PolarHBondContact O-N 3.1Å; G864-M866 PolarHBondContact O-N 3.24Å; M866-L868 VanDerWaalsContact C-N 3.31Å; M866-L868 PolarHBondContact O-N 3.44Å; M866-E869 PolarHBondContact O-N 3.31Å; M866-L870 PolarHBondContact O-N 3.5Å |
| 867 | C | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -73.5 | -19.6 | 179.3 | -71.5 | 0 | 0 | 0 | 0 | 113.8 | P350 N440 I444 A863 G864 L865 L870 F871 | P350-C867 HydrophobicContact CB-CB 3.78Å; P350-C867 HydrophobicContact CG-CB 3.54Å; N440-C867 HydrophobicContact CB-CB 4.4Å; N440-C867 WeakPolarHBondContact CB-SG 3.2Å; I444-C867 HydrophobicContact CD1-CB 3.98Å; A863-C867 PolarHBondContact O-N 2.81Å; A863-C867 PolarHBondContact O-SG 3Å; G864-C867 PolarHBondContact O-N 2.65Å; L865-C867 VanDerWaalsContact C-N 3.31Å; L865-C867 PolarHBondContact O-N 2.97Å; C867-L870 WeakPolarHBondContact O-CB 3.31Å; C867-F871 WeakPolarHBondContact O-CD2 3.39Å; C867-F871 PolarHBondContact O-N 3.36Å |
| 868 | L | 98.8 | Very high | 98 | Very high | 3 Ų | 3 | 13.6 Ų | 13.6 | 2% | 0.016 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -69.3 | -41.8 | 167.9 | -67.4 | 171.7 | 0 | 0 | 0 | 111 | P350 M351 F380 A382 C385 G864 L865 M866 L870 F871 | P350-L868 HydrophobicContact CB-CD2 3.91Å; P350-L868 HydrophobicContact CB-CG 4.01Å; M351-L868 HydrophobicContact CG-CD2 4.27Å; M351-L868 HydrophobicContact SD-CD1 4.21Å; M351-L868 HydrophobicContact SD-CD2 4.16Å; F380-L868 HydrophobicContact CE1-CD1 3.9Å; F380-L868 HydrophobicContact CZ-CD1 3.89Å; A382-L868 HydrophobicContact CB-CD1 3.79Å; A382-L868 HydrophobicContact CB-CD2 3.88Å; A382-L868 HydrophobicContact CB-CG 4.31Å; C385-L868 PolarHBondContact SG-O 2.94Å; G864-L868 WeakPolarHBondContact O-CG 3.23Å; G864-L868 PolarHBondContact O-N 3.23Å; G864-L868 VanDerWaalsContact O-N 3.09Å; L865-L868 HydrophobicContact CD2-CD1 4.24Å; L865-L868 PolarHBondContact O-N 3.34Å; M866-L868 VanDerWaalsContact C-N 3.31Å; M866-L868 PolarHBondContact O-N 3.44Å; L868-L870 VanDerWaalsContact C-N 3.3Å; L868-L870 PolarHBondContact O-N 3.47Å; L868-F871 HydrophobicContact CD2-CD2 4.43Å; L868-F871 HydrophobicContact CD2-CE2 4.45Å; L868-F871 PolarHBondContact O-N 2.98Å |
| 869 | E | 98.7 | Very high | 97.9 | Very high | 12 Ų | 12 | 17.6 Ų | 17.6 | 6% | 0.056 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -68.3 | -30 | 173.9 | -59.1 | -55.1 | 127 | 0 | 0 | 112.2 | L550 V563 L865 M866 F871 K872 L873 Y883 R884 | L550-E869 HydrophobicContact CD2-CB 3.82Å; V563-E869 HydrophobicContact CB-CB 4.27Å; V563-E869 HydrophobicContact CB-CG 4.47Å; V563-E869 HydrophobicContact CG1-CG 4.49Å; V563-E869 HydrophobicContact CG2-CB 4.37Å; L865-E869 PolarHBondContact O-N 3.45Å; M866-E869 PolarHBondContact O-N 3.31Å; E869-F871 VanDerWaalsContact C-N 3.3Å; E869-F871 PolarHBondContact O-N 2.86Å; E869-K872 WeakPolarHBondContact O-CB 3.46Å; E869-K872 PolarHBondContact O-N 2.89Å; E869-K872 VanDerWaalsContact O-N 3.14Å; E869-K872 IonicContact OE1-NZ 2.62Å; E869-K872 PolarHBondContact OE1-NZ 3.41Å; E869-K872 WeakPolarHBondContact OE2-CD 3.21Å; E869-K872 IonicContact OE2-NZ 2.76Å; E869-K872 PolarHBondContact OE2-NZ 3.4Å; E869-L873 PolarHBondContact O-N 3.23Å; E869-Y883 VanDerWaalsContact OE2-CA 3.32Å; E869-Y883 WeakPolarHBondContact OE2-CA 3.3Å; E869-Y883 WeakPolarHBondContact OE2-CD1 3.32Å; E869-R884 PolarHBondContact OE1-N 3.12Å; E869-R884 PolarHBondContact OE2-N 3.41Å; E869-R884 VanDerWaalsContact OE2-N 3.07Å |
| 870 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -55.3 | -43.5 | 172.3 | -178.8 | 68.2 | 0 | 0 | 0 | 112.1 | Y425 F441 I444 I446 L550 M866 C867 L868 K872 L873 I874 | Y425-L870 HydrophobicContact CD1-CD1 4.3Å; Y425-L870 HydrophobicContact CE1-CD1 3.39Å; Y425-L870 HydrophobicContact CE2-CD1 4.18Å; Y425-L870 WeakPolarHBondContact OH-CD1 3.26Å; F441-L870 HydrophobicContact CD1-CD2 4.04Å; F441-L870 HydrophobicContact CE1-CD2 3.62Å; F441-L870 HydrophobicContact CZ-CD2 4.39Å; I444-L870 HydrophobicContact CD1-CD2 4.19Å; I446-L870 HydrophobicContact CD1-CD2 4.12Å; I446-L870 HydrophobicContact CG1-CD2 4.09Å; L550-L870 HydrophobicContact CD1-CB 3.7Å; L550-L870 HydrophobicContact CD1-CD1 3.64Å; L550-L870 HydrophobicContact CD1-CG 4.21Å; M866-L870 PolarHBondContact O-N 3.5Å; C867-L870 WeakPolarHBondContact O-CB 3.31Å; L868-L870 VanDerWaalsContact C-N 3.3Å; L868-L870 PolarHBondContact O-N 3.47Å; L870-K872 VanDerWaalsContact C-N 3.28Å; L870-K872 PolarHBondContact O-N 2.78Å; L870-L873 PolarHBondContact O-N 3.08Å; L870-I874 HydrophobicContact CD1-CD1 3.69Å; L870-I874 HydrophobicContact CD1-CG1 4.19Å; L870-I874 HydrophobicContact CD2-CD1 4.33Å; L870-I874 HydrophobicContact CG-CD1 3.66Å; L870-I874 HydrophobicContact CG-CG1 4.44Å; L870-I874 WeakPolarHBondContact O-CG1 3.31Å; L870-I874 PolarHBondContact O-N 3.1Å |
| 871 | F | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58.1 | -43.9 | 177.7 | -67.9 | -47.2 | 0 | 0 | 0 | 111.2 | P350 C385 F412 F416 L420 I444 C867 L868 E869 I874 Q875 | P350-F871 HydrophobicContact CB-CE2 4.49Å; P350-F871 HydrophobicContact CG-CE2 3.79Å; P350-F871 HydrophobicContact CG-CZ 3.98Å; C385-F871 HydrophobicContact CB-CB 4.38Å; F412-F871 HydrophobicContact CE2-CD1 4.32Å; F412-F871 HydrophobicContact CE2-CD2 4.08Å; F412-F871 HydrophobicContact CE2-CE1 4.09Å; F412-F871 AromaticContact CE2-CE2 3.83Å; F412-F871 HydrophobicContact CE2-CE2 3.83Å; F412-F871 HydrophobicContact CE2-CG 4.32Å; F412-F871 AromaticContact CE2-CZ 3.84Å; F412-F871 HydrophobicContact CE2-CZ 3.84Å; F412-F871 HydrophobicContact CZ-CB 4.48Å; F412-F871 HydrophobicContact CZ-CD1 4.38Å; F412-F871 AromaticContact CZ-CD2 3.66Å; F412-F871 HydrophobicContact CZ-CD2 3.66Å; F412-F871 AromaticContact CZ-CE2 3.84Å; F412-F871 HydrophobicContact CZ-CE2 3.84Å; F412-F871 AromaticContact CZ-CG 3.95Å; F412-F871 HydrophobicContact CZ-CG 3.95Å; F412-F871 HydrophobicContact CZ-CZ 4.28Å; F416-F871 HydrophobicContact CE1-CB 4.5Å; F416-F871 AromaticContact CE1-CD1 3.84Å; F416-F871 HydrophobicContact CE1-CD1 3.84Å; F416-F871 HydrophobicContact CZ-CB 4.48Å; F416-F871 HydrophobicContact CZ-CD1 4.27Å; L420-F871 HydrophobicContact CD1-CD1 4.45Å; L420-F871 HydrophobicContact CD1-CE1 4.13Å; L420-F871 HydrophobicContact CD2-CD1 4.18Å; L420-F871 HydrophobicContact CD2-CE1 4.42Å; I444-F871 HydrophobicContact CD1-CE1 4.24Å; I444-F871 HydrophobicContact CD1-CZ 4.12Å; I444-F871 HydrophobicContact CG1-CE1 4.24Å; I444-F871 HydrophobicContact CG1-CZ 4.09Å; I444-F871 HydrophobicContact CG2-CE1 3.88Å; C867-F871 WeakPolarHBondContact O-CD2 3.39Å; C867-F871 PolarHBondContact O-N 3.36Å; L868-F871 HydrophobicContact CD2-CD2 4.43Å; L868-F871 HydrophobicContact CD2-CE2 4.45Å; L868-F871 PolarHBondContact O-N 2.98Å; E869-F871 VanDerWaalsContact C-N 3.3Å; E869-F871 PolarHBondContact O-N 2.86Å; F871-I874 PolarHBondContact O-N 2.81Å; F871-Q875 WeakPolarHBondContact O-CB 3.43Å; F871-Q875 WeakPolarHBondContact O-CG 3.48Å; F871-Q875 PolarHBondContact O-N 2.87Å |
| 872 | K | 98.2 | Very high | 97.2 | Very high | 3 Ų | 3 | 23.5 Ų | 23.5 | 1% | 0.013 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -66 | -43 | -179.7 | -55.6 | 174.4 | -170.1 | 175.4 | 0 | 112.1 | E384 E869 L870 Q875 G876 H877 S882 Y883 | E384-K872 WeakPolarHBondContact O-CE 3.48Å; E869-K872 WeakPolarHBondContact O-CB 3.46Å; E869-K872 PolarHBondContact O-N 2.89Å; E869-K872 VanDerWaalsContact O-N 3.14Å; E869-K872 IonicContact OE1-NZ 2.62Å; E869-K872 PolarHBondContact OE1-NZ 3.41Å; E869-K872 WeakPolarHBondContact OE2-CD 3.21Å; E869-K872 IonicContact OE2-NZ 2.76Å; E869-K872 PolarHBondContact OE2-NZ 3.4Å; L870-K872 VanDerWaalsContact C-N 3.28Å; L870-K872 PolarHBondContact O-N 2.78Å; K872-Q875 PolarHBondContact O-N 3.18Å; K872-G876 PolarHBondContact O-N 2.84Å; K872-H877 HydrophobicContact CB-CB 4.37Å; K872-H877 PolarHBondContact O-N 3Å; K872-H877 VanDerWaalsContact O-N 3.12Å; K872-S882 VanDerWaalsContact CD-O 3.26Å; K872-S882 WeakPolarHBondContact CD-O 3.48Å; K872-S882 VanDerWaalsContact CE-O 3.31Å; K872-S882 WeakPolarHBondContact CE-O 3.12Å; K872-S882 PolarHBondContact NZ-O 3.43Å; K872-Y883 HydrophobicContact CB-CD1 4.12Å; K872-Y883 HydrophobicContact CB-CE1 3.66Å; K872-Y883 HydrophobicContact CD-CD1 4.24Å |
| 873 | L | 98 | Very high | 97.1 | Very high | 21 Ų | 21 | 23.6 Ų | 23.6 | 11% | 0.11 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58 | -49.2 | 174.6 | -74.3 | 179.4 | 0 | 0 | 0 | 111.3 | P548 L550 V563 V565 E869 L870 G876 Y883 | P548-L873 HydrophobicContact CB-CD1 4.23Å; P548-L873 HydrophobicContact CB-CD2 3.77Å; L550-L873 HydrophobicContact CD1-CD1 4.39Å; L550-L873 HydrophobicContact CD2-CD1 3.61Å; L550-L873 HydrophobicContact CG-CD1 3.76Å; V563-L873 HydrophobicContact CG2-CD1 4.02Å; V563-L873 HydrophobicContact CG2-CD2 3.85Å; V563-L873 HydrophobicContact CG2-CG 4.01Å; V565-L873 HydrophobicContact CG1-CD2 4.47Å; V565-L873 HydrophobicContact CG2-CD2 3.79Å; E869-L873 PolarHBondContact O-N 3.23Å; L870-L873 PolarHBondContact O-N 3.08Å; L873-G876 WeakPolarHBondContact O-CA 3.44Å; L873-G876 PolarHBondContact O-N 3.24Å; L873-G876 VanDerWaalsContact O-N 3.08Å; L873-Y883 HydrophobicContact CD2-CE1 3.9Å; L873-Y883 HydrophobicContact CG-CE1 4.23Å |
| 874 | I | 97.7 | Very high | 96.9 | Very high | 6 Ų | 6 | 24.9 Ų | 24.9 | 3% | 0.031 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -71.4 | -35.1 | -177.4 | -61.2 | 165.5 | 0 | 0 | 0 | 110.7 | F416 K419 L420 Q423 Y425 I446 L870 F871 G876 | F416-I874 HydrophobicContact CE2-CB 4.16Å; F416-I874 HydrophobicContact CE2-CG2 3.81Å; F416-I874 HydrophobicContact CZ-CB 4.2Å; F416-I874 HydrophobicContact CZ-CG2 4.21Å; K419-I874 HydrophobicContact CD-CG2 3.95Å; K419-I874 WeakPolarHBondContact CD-O 3.49Å; K419-I874 WeakPolarHBondContact CE-O 3.3Å; K419-I874 HydrophobicContact CG-CG2 3.87Å; K419-I874 PolarHBondContact NZ-O 3.09Å; L420-I874 HydrophobicContact CD2-CB 4.33Å; L420-I874 HydrophobicContact CD2-CD1 3.49Å; L420-I874 VanDerWaalsContact CD2-CD1 3.49Å; L420-I874 HydrophobicContact CD2-CG2 4.11Å; Q423-I874 HydrophobicContact CG-CD1 3.75Å; Q423-I874 HydrophobicContact CG-CG1 4.09Å; Q423-I874 HydrophobicContact CG-CG2 4.05Å; Y425-I874 HydrophobicContact CE2-CD1 4.36Å; Y425-I874 HydrophobicContact CE2-CG1 4.37Å; I446-I874 HydrophobicContact CD1-CD1 3.71Å; L870-I874 HydrophobicContact CD1-CD1 3.69Å; L870-I874 HydrophobicContact CD1-CG1 4.19Å; L870-I874 HydrophobicContact CD2-CD1 4.33Å; L870-I874 HydrophobicContact CG-CD1 3.66Å; L870-I874 HydrophobicContact CG-CG1 4.44Å; L870-I874 WeakPolarHBondContact O-CG1 3.31Å; L870-I874 PolarHBondContact O-N 3.1Å; F871-I874 PolarHBondContact O-N 2.81Å; I874-G876 PolarHBondContact O-N 3.01Å |
| 875 | Q | 95.2 | Very high | 96.7 | Very high | 32 Ų | 32 | 25.2 Ų | 25.2 | 15% | 0.15 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.9 | -30.6 | 170.8 | -73.4 | -174.2 | 154.6 | 0 | 0 | 111.5 | C385 F416 K419 F871 K872 H877 | C385-Q875 PolarHBondContact O-NE2 3.1Å; F416-Q875 HydrophobicContact CD2-CG 3.66Å; F416-Q875 HydrophobicContact CE1-CG 4.21Å; F416-Q875 HydrophobicContact CE2-CB 4.17Å; F416-Q875 HydrophobicContact CE2-CG 3.14Å; F416-Q875 HydrophobicContact CG-CG 4.41Å; F416-Q875 HydrophobicContact CZ-CG 3.44Å; F416-Q875 VanDerWaalsContact CZ-CG 3.44Å; K419-Q875 PolarHBondContact NZ-O 2.64Å; F871-Q875 WeakPolarHBondContact O-CB 3.43Å; F871-Q875 WeakPolarHBondContact O-CG 3.48Å; F871-Q875 PolarHBondContact O-N 2.87Å; K872-Q875 PolarHBondContact O-N 3.18Å; Q875-H877 PolarHBondContact NE2-CE1 2.83Å; Q875-H877 PolarHBondContact NE2-NE2 3.32Å |
| 876 | G | 95.3 | Very high | 96.6 | Very high | 28 Ų | 28 | 24.8 Ų | 24.8 | 29% | 0.289 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.1 | 35 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K872 L873 I874 K878 | K872-G876 PolarHBondContact O-N 2.84Å; L873-G876 WeakPolarHBondContact O-CA 3.44Å; L873-G876 PolarHBondContact O-N 3.24Å; L873-G876 VanDerWaalsContact O-N 3.08Å; I874-G876 PolarHBondContact O-N 3.01Å; G876-K878 WeakPolarHBondContact O-CD 3.46Å; G876-K878 VanDerWaalsContact O-CE 3.24Å; G876-K878 WeakPolarHBondContact O-CE 3.46Å; G876-K878 PolarHBondContact O-N 2.89Å |
| 877 | H | 96.5 | Very high | 96.4 | Very high | 8 Ų | 8 | 29.9 Ų | 29.9 | 4% | 0.037 | 14% | 0.141 | C | C | . | . | trans | -52.9 | 134.6 | 179.9 | -75.6 | -161.7 | 0 | 0 | 0 | 111.4 | E384 L386 E388 K872 Q875 S882 Y883 | E384-H877 PolarHBondContact O-CE1 2.74Å; L386-H877 PolarHBondContact O-CE1 2.83Å; L386-H877 PolarHBondContact O-NE2 2.66Å; E388-H877 HydrophobicContact CG-CB 4.25Å; E388-H877 WeakPolarHBondContact OE1-CB 3.47Å; E388-H877 IonicContact OE1-CG 3.39Å; E388-H877 IonicContact OE1-ND1 2.66Å; K872-H877 HydrophobicContact CB-CB 4.37Å; K872-H877 PolarHBondContact O-N 3Å; K872-H877 VanDerWaalsContact O-N 3.12Å; Q875-H877 PolarHBondContact NE2-CE1 2.83Å; Q875-H877 PolarHBondContact NE2-NE2 3.32Å; H877-S882 WeakPolarHBondContact ND1-CB 3.24Å; H877-Y883 HydrophobicContact CB-CE2 3.81Å; H877-Y883 PolarHBondContact O-OH 3.25Å | ||
| 878 | K | 95.6 | Very high | 96.2 | Very high | 163 Ų | 163 | 30.1 Ų | 30.1 | 71% | 0.709 | 14% | 0.142 | S | C | * | . | trans | -108.8 | -20 | -175.4 | -58.2 | -55.7 | -179.2 | -172.7 | 0 | 112.5 | E388 L568 G876 | E388-K878 PolarHBondContact OE1-N 3.12Å; E388-K878 PolarHBondContact OE2-N 3.44Å; L568-K878 WeakPolarHBondContact CD1-O 3.47Å; G876-K878 WeakPolarHBondContact O-CD 3.46Å; G876-K878 VanDerWaalsContact O-CE 3.24Å; G876-K878 WeakPolarHBondContact O-CE 3.46Å; G876-K878 PolarHBondContact O-N 2.89Å | ||
| 879 | K | 95.6 | Very high | 96.1 | Very high | 83 Ų | 83 | 30.9 Ų | 30.9 | 36% | 0.361 | 15% | 0.146 | S | C | . | . | trans | -85 | 126.1 | 177.9 | -53.6 | 171.3 | -174.3 | 166.4 | 0 | 108.8 | E388 E881 S882 | E388-K879 HydrophobicContact CB-CD 4.44Å; E388-K879 HydrophobicContact CG-CD 4.43Å; E388-K879 PolarHBondContact O-NZ 2.97Å; E388-K879 WeakPolarHBondContact OE1-CA 3.4Å; E388-K879 WeakPolarHBondContact OE1-CB 3.28Å; E388-K879 PolarHBondContact OE1-N 3.48Å; E388-K879 PolarHBondContact OE2-N 3.09Å; K879-E881 HydrophobicContact CB-CG 3.92Å; K879-E881 PolarHBondContact O-N 2.95Å; K879-S882 VanDerWaalsContact O-CB 3.32Å; K879-S882 WeakPolarHBondContact O-CB 3.42Å; K879-S882 PolarHBondContact O-N 3.28Å; K879-S882 VanDerWaalsContact O-N 3.09Å; K879-S882 PolarHBondContact O-OG 2.69Å | ||
| 880 | I | 95.1 | Very high | 96 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -63.2 | -30.7 | 178.4 | -169.4 | 166.8 | 0 | 0 | 0 | 111.7 | L568 S882 Y883 Q899 P900 R902 | L568-I880 HydrophobicContact CD1-CB 3.94Å; L568-I880 HydrophobicContact CG-CB 4.18Å; I880-S882 PolarHBondContact O-N 3.28Å; I880-Y883 PolarHBondContact O-N 2.91Å; I880-Y883 VanDerWaalsContact O-N 3.12Å; I880-Q899 HydrophobicContact CG1-CG 4.11Å; I880-P900 VanDerWaalsContact CD1-O 3.27Å; I880-P900 WeakPolarHBondContact CD1-O 3.26Å; I880-R902 HydrophobicContact CD1-CG 3.56Å |
| 881 | E | 93.3 | Very high | 95.8 | Very high | 111 Ų | 111 | 31.1 Ų | 31.1 | 52% | 0.519 | 15% | 0.148 | S | C | . | . | G | 310 helix | trans | -67.7 | -6.9 | 175.8 | 69.3 | -134.9 | -158 | 0 | 0 | 114.1 | K879 R884 | K879-E881 HydrophobicContact CB-CG 3.92Å; K879-E881 PolarHBondContact O-N 2.95Å; E881-R884 PolarHBondContact O-NH1 3.44Å; E881-R884 PolarHBondContact O-NH2 2.92Å |
| 882 | S | 94.4 | Very high | 95.4 | Very high | 11 Ų | 11 | 33.4 Ų | 33.4 | 8% | 0.077 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -80.1 | -28.8 | 170.9 | -59 | 0 | 0 | 0 | 0 | 112 | E384 E388 K872 H877 K879 I880 | E384-S882 WeakPolarHBondContact CB-O 3.4Å; E388-S882 WeakPolarHBondContact OE1-CB 3.46Å; E388-S882 PolarHBondContact OE1-OG 2.9Å; K872-S882 VanDerWaalsContact CD-O 3.26Å; K872-S882 WeakPolarHBondContact CD-O 3.48Å; K872-S882 VanDerWaalsContact CE-O 3.31Å; K872-S882 WeakPolarHBondContact CE-O 3.12Å; K872-S882 PolarHBondContact NZ-O 3.43Å; H877-S882 WeakPolarHBondContact ND1-CB 3.24Å; K879-S882 VanDerWaalsContact O-CB 3.32Å; K879-S882 WeakPolarHBondContact O-CB 3.42Å; K879-S882 PolarHBondContact O-N 3.28Å; K879-S882 VanDerWaalsContact O-N 3.09Å; K879-S882 PolarHBondContact O-OG 2.69Å; I880-S882 PolarHBondContact O-N 3.28Å |
| 883 | Y | 96.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.008 | 17% | 0.174 | C | C | . | . | trans | -89.7 | 153.7 | -174.7 | -66 | -82.6 | 0 | 0 | 0 | 112.3 | V563 V565 L568 E869 K872 L873 H877 I880 P900 | V563-Y883 HydrophobicContact CG1-CD1 3.82Å; V563-Y883 HydrophobicContact CG1-CG 4.17Å; V563-Y883 HydrophobicContact CG2-CD1 4.04Å; V563-Y883 HydrophobicContact CG2-CE1 4.24Å; V565-Y883 HydrophobicContact CG2-CD1 4.16Å; V565-Y883 HydrophobicContact CG2-CD2 4.36Å; V565-Y883 HydrophobicContact CG2-CE1 3.83Å; V565-Y883 HydrophobicContact CG2-CE2 4.05Å; V565-Y883 HydrophobicContact CG2-CG 4.4Å; L568-Y883 HydrophobicContact CD2-CD2 4Å; L568-Y883 HydrophobicContact CD2-CE2 3.65Å; E869-Y883 VanDerWaalsContact OE2-CA 3.32Å; E869-Y883 WeakPolarHBondContact OE2-CA 3.3Å; E869-Y883 WeakPolarHBondContact OE2-CD1 3.32Å; K872-Y883 HydrophobicContact CB-CD1 4.12Å; K872-Y883 HydrophobicContact CB-CE1 3.66Å; K872-Y883 HydrophobicContact CD-CD1 4.24Å; L873-Y883 HydrophobicContact CD2-CE1 3.9Å; L873-Y883 HydrophobicContact CG-CE1 4.23Å; H877-Y883 HydrophobicContact CB-CE2 3.81Å; H877-Y883 PolarHBondContact O-OH 3.25Å; I880-Y883 PolarHBondContact O-N 2.91Å; I880-Y883 VanDerWaalsContact O-N 3.12Å; Y883-P900 VanDerWaalsContact O-CD 3.27Å; Y883-P900 WeakPolarHBondContact O-CD 3.38Å | ||
| 884 | R | 94.5 | Very high | 94.3 | Very high | 27 Ų | 27 | 40.7 Ų | 40.7 | 10% | 0.102 | 19% | 0.191 | C | C | . | . | trans | -133.2 | 135.6 | 177.1 | -61.7 | -70 | 177.2 | -90.2 | -5.6 | 111.3 | E384 E869 E881 | E384-R884 IonicContact OE1-CZ 3.92Å; E384-R884 IonicContact OE1-NE 3.69Å; E384-R884 IonicContact OE1-NH2 3.85Å; E384-R884 PolarHBondContact OE1-NH2 3.31Å; E869-R884 PolarHBondContact OE1-N 3.12Å; E869-R884 PolarHBondContact OE2-N 3.41Å; E869-R884 VanDerWaalsContact OE2-N 3.07Å; E881-R884 PolarHBondContact O-NH1 3.44Å; E881-R884 PolarHBondContact O-NH2 2.92Å | ||
| 885 | T | 94.8 | Very high | 93.9 | Very high | 7 Ų | 7 | 41 Ų | 41 | 4% | 0.043 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 127.4 | 160.4 | -59.5 | 0 | 0 | 0 | 0 | 107 | T561 L562 Y887 L897 S898 | T561-T885 WeakPolarHBondContact O-CA 3.47Å; T561-T885 WeakPolarHBondContact O-CG2 3.36Å; L562-T885 HydrophobicContact CD1-CG2 4.47Å; T885-Y887 HydrophobicContact CG2-CD2 4.32Å; T885-Y887 HydrophobicContact CG2-CE2 3.5Å; T885-Y887 VanDerWaalsContact CG2-CE2 3.5Å; T885-L897 WeakPolarHBondContact O-CA 3.38Å; T885-S898 PolarHBondContact N-O 3.49Å; T885-S898 PolarHBondContact O-N 2.88Å |
| 886 | A | 95.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 141.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | H560 T561 L865 V896 L897 | H560-A886 CarbonylContact C-O 3.59Å; H560-A886 WeakPolarHBondContact CA-O 3.31Å; H560-A886 WeakPolarHBondContact CB-O 3.42Å; T561-A886 PolarHBondContact N-O 3.34Å; T561-A886 PolarHBondContact O-N 3.38Å; T561-A886 VanDerWaalsContact OG1-CB 3.26Å; T561-A886 WeakPolarHBondContact OG1-CB 3.3Å; T561-A886 PolarHBondContact OG1-N 3.11Å; L865-A886 HydrophobicContact CD1-CB 3.83Å; A886-V896 CarbonylContact C-O 3.59Å; A886-V896 WeakPolarHBondContact CA-O 3.47Å; A886-L897 HydrophobicContact CB-CD2 3.43Å; A886-L897 VanDerWaalsContact CB-CD2 3.43Å |
| 887 | Y | 95.6 | Very high | 93.5 | Very high | 108 Ų | 108 | 39.8 Ų | 39.8 | 42% | 0.424 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 129.5 | 167 | -60.7 | -87.9 | 0 | 0 | 0 | 108.4 | H560 T885 F895 V896 | H560-Y887 HydrophobicContact CB-CD1 3.73Å; H560-Y887 HydrophobicContact CB-CE1 3.96Å; T885-Y887 HydrophobicContact CG2-CD2 4.32Å; T885-Y887 HydrophobicContact CG2-CE2 3.5Å; T885-Y887 VanDerWaalsContact CG2-CE2 3.5Å; Y887-F895 WeakPolarHBondContact O-CA 3.28Å; Y887-V896 PolarHBondContact N-O 3.41Å; Y887-V896 PolarHBondContact O-N 3.29Å |
| 888 | L | 95 | Very high | 93.2 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 146.8 | -179.4 | 61.9 | 90 | 0 | 0 | 0 | 110.9 | K558 G559 T858 A861 V862 L865 L890 Y894 F895 | K558-L888 CarbonylContact C-O 3.51Å; K558-L888 VanDerWaalsContact CA-O 3.3Å; K558-L888 WeakPolarHBondContact CA-O 3.46Å; G559-L888 PolarHBondContact N-O 3.47Å; G559-L888 PolarHBondContact O-N 3.41Å; T858-L888 HydrophobicContact CG2-CD1 3.89Å; A861-L888 HydrophobicContact CB-CD2 4.4Å; V862-L888 HydrophobicContact CG2-CD2 4.27Å; L865-L888 HydrophobicContact CD1-CD2 3.63Å; L888-L890 HydrophobicContact CD1-CD2 3.86Å; L888-L890 HydrophobicContact CD1-CG 3.88Å; L888-Y894 WeakPolarHBondContact CA-O 3.15Å; L888-F895 HydrophobicContact CB-CD2 3.98Å |
| 889 | N | 96.1 | Very high | 93.1 | Very high | 19 Ų | 19 | 37 Ų | 37 | 10% | 0.102 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 115.6 | 163.2 | -174 | -6.3 | 0 | 0 | 0 | 106.8 | S557 K558 A891 V892 Y894 | S557-N889 WeakPolarHBondContact CB-OD1 3.14Å; S557-N889 PolarHBondContact OG-OD1 3.3Å; K558-N889 HydrophobicContact CG-CB 4.17Å; N889-A891 PolarHBondContact O-N 3.34Å; N889-A891 VanDerWaalsContact OD1-CB 3.29Å; N889-A891 WeakPolarHBondContact OD1-CB 3.44Å; N889-A891 PolarHBondContact OD1-N 2.84Å; N889-V892 HydrophobicContact CB-CG2 4.07Å; N889-V892 WeakPolarHBondContact ND2-CG2 3.33Å; N889-Y894 HydrophobicContact CB-CD1 4.3Å; N889-Y894 PolarHBondContact N-O 3.09Å |
| 890 | L | 96.1 | Very high | 93 | Very high | 18 Ų | 18 | 33.3 Ų | 33.3 | 9% | 0.094 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -9.3 | -179 | -52.2 | -176.1 | 0 | 0 | 0 | 112.6 | L358 Q361 K365 S557 L888 | L358-L890 HydrophobicContact CD1-CD2 3.88Å; L358-L890 HydrophobicContact CG-CD2 4.18Å; Q361-L890 HydrophobicContact CB-CB 4.5Å; Q361-L890 HydrophobicContact CB-CD1 4.16Å; Q361-L890 HydrophobicContact CG-CB 3.85Å; Q361-L890 HydrophobicContact CG-CD1 4.28Å; K365-L890 WeakPolarHBondContact CE-O 3.14Å; K365-L890 PolarHBondContact NZ-O 3.29Å; S557-L890 PolarHBondContact O-N 3.07Å; L888-L890 HydrophobicContact CD1-CD2 3.86Å; L888-L890 HydrophobicContact CD1-CG 3.88Å |
| 891 | A | 95.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -34.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R168 D169 F371 T372 S557 N889 | R168-A891 VanDerWaalsContact O-O 3.13Å; D169-A891 VanDerWaalsContact O-CB 3.3Å; D169-A891 WeakPolarHBondContact O-CB 3.24Å; F371-A891 HydrophobicContact CB-CB 4.3Å; F371-A891 WeakPolarHBondContact CB-O 3.48Å; F371-A891 HydrophobicContact CD1-CB 3.21Å; F371-A891 HydrophobicContact CE1-CB 3.43Å; F371-A891 VanDerWaalsContact CE1-CB 3.43Å; F371-A891 HydrophobicContact CG-CB 3.8Å; F371-A891 HydrophobicContact CZ-CB 4.22Å; T372-A891 PolarHBondContact N-O 2.93Å; S557-A891 VanDerWaalsContact OG-CB 3.3Å; S557-A891 WeakPolarHBondContact OG-CB 3.48Å; N889-A891 PolarHBondContact O-N 3.34Å; N889-A891 VanDerWaalsContact OD1-CB 3.29Å; N889-A891 WeakPolarHBondContact OD1-CB 3.44Å; N889-A891 PolarHBondContact OD1-N 2.84Å |
| 892 | V | 89.8 | Confident | 93 | Very high | 47 Ų | 47 | 38.6 Ų | 38.6 | 29% | 0.285 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -129.4 | 130.5 | -179.7 | -60.6 | 0 | 0 | 0 | 0 | 105.9 | D169 N889 Y894 | D169-V892 HydrophobicContact CB-CG1 3.73Å; N889-V892 HydrophobicContact CB-CG2 4.07Å; N889-V892 WeakPolarHBondContact ND2-CG2 3.33Å; V892-Y894 WeakPolarHBondContact O-CA 3.4Å; V892-Y894 VanDerWaalsContact O-CB 3.3Å; V892-Y894 WeakPolarHBondContact O-CB 3.48Å; V892-Y894 PolarHBondContact O-N 3.07Å |
| 893 | Q | 83.9 | Confident | 93 | Very high | 60 Ų | 60 | 39 Ų | 39 | 28% | 0.28 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 76.8 | -172.9 | -60.6 | 172.3 | 70.2 | 0 | 0 | 112.9 | L273 L275 P373 Q375 | L273-Q893 VanDerWaalsContact CD1-OE1 3.24Å; L273-Q893 HydrophobicContact CD2-CB 4.19Å; L275-Q893 VanDerWaalsContact CD2-O 3.23Å; L275-Q893 WeakPolarHBondContact CD2-O 3.21Å; P373-Q893 PolarHBondContact O-NE2 3.3Å; Q375-Q893 VanDerWaalsContact N-OE1 3.11Å |
| 894 | Y | 89.8 | Confident | 92.7 | Very high | 117 Ų | 117 | 47 Ų | 47 | 46% | 0.459 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 113 | -167.8 | -178.9 | -92.6 | 0 | 0 | 0 | 108.6 | L888 N889 V892 V896 | L888-Y894 WeakPolarHBondContact CA-O 3.15Å; N889-Y894 HydrophobicContact CB-CD1 4.3Å; N889-Y894 PolarHBondContact N-O 3.09Å; V892-Y894 WeakPolarHBondContact O-CA 3.4Å; V892-Y894 VanDerWaalsContact O-CB 3.3Å; V892-Y894 WeakPolarHBondContact O-CB 3.48Å; V892-Y894 PolarHBondContact O-N 3.07Å; Y894-V896 HydrophobicContact CD2-CG2 4.43Å; Y894-V896 HydrophobicContact CE1-CG2 3.88Å; Y894-V896 HydrophobicContact CE2-CG2 3.7Å; Y894-V896 WeakPolarHBondContact OH-CG2 3.44Å |
| 895 | F | 89.1 | Confident | 92.6 | Very high | 12 Ų | 12 | 48.5 Ų | 48.5 | 5% | 0.053 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 122.6 | 177.7 | -174.4 | -103.9 | 0 | 0 | 0 | 106.8 | L275 N276 F354 F380 L865 Y887 L888 L897 | L275-F895 HydrophobicContact CB-CB 4.29Å; L275-F895 HydrophobicContact CD1-CB 3.91Å; L275-F895 HydrophobicContact CD2-CB 4.44Å; L275-F895 HydrophobicContact CG-CB 4.44Å; N276-F895 PolarHBondContact N-O 3.15Å; F354-F895 AromaticContact CE2-CE2 3.78Å; F354-F895 HydrophobicContact CE2-CE2 3.78Å; F354-F895 HydrophobicContact CE2-CZ 4.34Å; F354-F895 HydrophobicContact CZ-CD2 4.32Å; F354-F895 AromaticContact CZ-CE2 3.62Å; F354-F895 HydrophobicContact CZ-CE2 3.62Å; F354-F895 AromaticContact CZ-CZ 3.85Å; F354-F895 HydrophobicContact CZ-CZ 3.85Å; F380-F895 AromaticContact CD2-CE1 3.96Å; F380-F895 HydrophobicContact CD2-CE1 3.96Å; F380-F895 AromaticContact CD2-CZ 3.98Å; F380-F895 HydrophobicContact CD2-CZ 3.98Å; F380-F895 HydrophobicContact CE2-CE1 4.08Å; F380-F895 AromaticContact CE2-CZ 3.78Å; F380-F895 HydrophobicContact CE2-CZ 3.78Å; L865-F895 HydrophobicContact CD1-CE2 4.09Å; L865-F895 HydrophobicContact CD2-CZ 4.39Å; Y887-F895 WeakPolarHBondContact O-CA 3.28Å; L888-F895 HydrophobicContact CB-CD2 3.98Å; F895-L897 HydrophobicContact CD1-CG 4.26Å; F895-L897 HydrophobicContact CE1-CD1 3.74Å; F895-L897 HydrophobicContact CE1-CD2 3.78Å; F895-L897 HydrophobicContact CE1-CG 3.45Å; F895-L897 VanDerWaalsContact CE1-CG 3.45Å; F895-L897 HydrophobicContact CE2-CD2 4.29Å; F895-L897 HydrophobicContact CZ-CD1 4.07Å; F895-L897 HydrophobicContact CZ-CD2 3.54Å; F895-L897 HydrophobicContact CZ-CG 3.78Å |
| 896 | V | 91.3 | Very high | 92.4 | Very high | 28 Ų | 28 | 50.2 Ų | 50.2 | 17% | 0.17 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 122.9 | 178.6 | 178.6 | 0 | 0 | 0 | 0 | 108.6 | N276 A886 Y887 Y894 | N276-V896 HydrophobicContact CB-CG2 3.97Å; N276-V896 WeakPolarHBondContact O-CA 3.48Å; A886-V896 CarbonylContact C-O 3.59Å; A886-V896 WeakPolarHBondContact CA-O 3.47Å; Y887-V896 PolarHBondContact N-O 3.41Å; Y887-V896 PolarHBondContact O-N 3.29Å; Y894-V896 HydrophobicContact CD2-CG2 4.43Å; Y894-V896 HydrophobicContact CE1-CG2 3.88Å; Y894-V896 HydrophobicContact CE2-CG2 3.7Å; Y894-V896 WeakPolarHBondContact OH-CG2 3.44Å |
| 897 | L | 90.7 | Very high | 92.2 | Very high | 8 Ų | 8 | 53.7 Ų | 53.7 | 4% | 0.042 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 128.4 | 166.2 | -61.3 | -175.2 | 0 | 0 | 0 | 109.2 | N276 D277 Y278 F380 T885 A886 F895 | N276-L897 PolarHBondContact O-N 3.32Å; D277-L897 WeakPolarHBondContact OD2-CD1 3.41Å; Y278-L897 WeakPolarHBondContact CB-O 3.3Å; F380-L897 HydrophobicContact CE2-CD1 4.01Å; T885-L897 WeakPolarHBondContact O-CA 3.38Å; A886-L897 HydrophobicContact CB-CD2 3.43Å; A886-L897 VanDerWaalsContact CB-CD2 3.43Å; F895-L897 HydrophobicContact CD1-CG 4.26Å; F895-L897 HydrophobicContact CE1-CD1 3.74Å; F895-L897 HydrophobicContact CE1-CD2 3.78Å; F895-L897 HydrophobicContact CE1-CG 3.45Å; F895-L897 VanDerWaalsContact CE1-CG 3.45Å; F895-L897 HydrophobicContact CE2-CD2 4.29Å; F895-L897 HydrophobicContact CZ-CD1 4.07Å; F895-L897 HydrophobicContact CZ-CD2 3.54Å; F895-L897 HydrophobicContact CZ-CG 3.78Å |
| 898 | S | 91 | Very high | 91.8 | Very high | 40 Ų | 40 | 48.5 Ų | 48.5 | 28% | 0.28 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 149.1 | 174.7 | 61.7 | 0 | 0 | 0 | 0 | 110.5 | T885 | T885-S898 PolarHBondContact N-O 3.49Å; T885-S898 PolarHBondContact O-N 2.88Å |
| 899 | Q | 92.4 | Very high | 91.4 | Very high | 72 Ų | 72 | 50 Ų | 50 | 34% | 0.336 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 138.4 | 166 | -171.7 | -173.6 | -51.9 | 0 | 0 | 109.7 | I880 | I880-Q899 HydrophobicContact CG1-CG 4.11Š|
| 900 | P | 93.7 | Very high | 90.8 | Very high | 5 Ų | 5 | 52.4 Ų | 52.4 | 3% | 0.032 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 152.8 | 172.2 | -24.1 | 33.7 | 0 | 0 | 0 | 112.3 | V563 T569 I880 Y883 | V563-P900 HydrophobicContact CG1-CG 4.07Å; T569-P900 HydrophobicContact CG2-CB 3.78Å; T569-P900 HydrophobicContact CG2-CG 4.38Å; I880-P900 VanDerWaalsContact CD1-O 3.27Å; I880-P900 WeakPolarHBondContact CD1-O 3.26Å; Y883-P900 VanDerWaalsContact O-CD 3.27Å; Y883-P900 WeakPolarHBondContact O-CD 3.38Å |
| 901 | C | 93.7 | Very high | 90.4 | Very high | 70 Ų | 70 | 56.4 Ų | 56.4 | 47% | 0.473 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 147.1 | 175.2 | -66.8 | 0 | 0 | 0 | 0 | 111.1 | T569 E570 | T569-C901 CarbonylContact C-O 3.56Å; T569-C901 VanDerWaalsContact CA-O 3.31Å; T569-C901 WeakPolarHBondContact CA-O 3.45Å; E570-C901 VanDerWaalsContact CD-CB 3.47Å; E570-C901 HydrophobicContact CG-CB 4.04Å; E570-C901 PolarHBondContact N-O 2.84Å |
| 902 | R | 95.2 | Very high | 90.2 | Very high | 155 Ų | 155 | 63.8 Ų | 63.8 | 59% | 0.585 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -72.7 | 150 | 170 | -72.4 | -170.5 | 179.5 | -79.8 | 3.6 | 109.6 | I880 Q904 | I880-R902 HydrophobicContact CD1-CG 3.56Å; R902-Q904 PolarHBondContact O-N 2.88Å |
| 903 | P | 93.4 | Very high | 90.4 | Very high | 20 Ų | 20 | 62.7 Ų | 62.7 | 13% | 0.13 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -61 | 139.7 | 176.8 | 28.1 | -34.5 | 0 | 0 | 0 | 109.9 | L568 S905 T914 L915 | L568-P903 WeakPolarHBondContact O-CD 3.06Å; P903-S905 PolarHBondContact O-N 3.25Å; P903-T914 HydrophobicContact CB-CG2 4.42Å; P903-T914 HydrophobicContact CG-CG2 4.01Å; P903-L915 HydrophobicContact CB-CD2 3.97Å; P903-L915 HydrophobicContact CB-CG 4.35Å |
| 904 | Q | 91.4 | Very high | 90.8 | Very high | 168 Ų | 168 | 61.1 Ų | 61.1 | 79% | 0.785 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 137.9 | 171.4 | -68.2 | -171.6 | 1.8 | 0 | 0 | 109.6 | R902 | R902-Q904 PolarHBondContact O-N 2.88Š|
| 905 | S | 91.9 | Very high | 90.9 | Very high | 59 Ų | 59 | 58.3 Ų | 58.3 | 41% | 0.413 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 140 | 179.5 | 60.2 | 0 | 0 | 0 | 0 | 111.5 | P903 K912 Y913 | P903-S905 PolarHBondContact O-N 3.25Å; S905-K912 WeakPolarHBondContact OG-CE 3.47Å; S905-K912 PolarHBondContact OG-NZ 3.47Å; S905-Y913 CarbonylContact C-O 3.58Å; S905-Y913 WeakPolarHBondContact CA-O 3.32Å; S905-Y913 WeakPolarHBondContact CB-O 3.47Å |
| 906 | F | 90.8 | Very high | 91.2 | Very high | 43 Ų | 43 | 57.9 Ų | 57.9 | 19% | 0.189 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 166.4 | 171.6 | 56.5 | -88.6 | 0 | 0 | 0 | 109.9 | V908 K912 Y913 T914 T1003 P1005 | F906-V908 HydrophobicContact CD2-CG2 4.08Å; F906-V908 HydrophobicContact CE2-CG2 4.15Å; F906-K912 WeakPolarHBondContact O-CA 3.29Å; F906-Y913 HydrophobicContact CE2-CG 4.4Å; F906-Y913 PolarHBondContact N-O 3.28Å; F906-Y913 PolarHBondContact O-N 3.16Å; F906-T914 VanDerWaalsContact CE1-C 3.44Å; F906-T1003 HydrophobicContact CD1-CG2 3.91Å; F906-T1003 HydrophobicContact CD2-CG2 4.13Å; F906-T1003 WeakPolarHBondContact CD2-O 3.19Å; F906-T1003 HydrophobicContact CE1-CG2 3.86Å; F906-T1003 HydrophobicContact CE2-CG2 4.08Å; F906-T1003 WeakPolarHBondContact CE2-O 3.23Å; F906-T1003 HydrophobicContact CG-CG2 4.05Å; F906-T1003 HydrophobicContact CZ-CG2 3.96Å; F906-P1005 HydrophobicContact CE2-CG 4.14Å; F906-P1005 HydrophobicContact CZ-CG 4.39Å |
| 907 | T | 89.9 | Confident | 91.2 | Very high | 74 Ų | 74 | 59.2 Ų | 59.2 | 45% | 0.454 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 134.1 | -176.1 | -57.9 | 0 | 0 | 0 | 0 | 109.3 | K911 C1001 | T907-K911 CarbonylContact C-O 3.53Å; T907-K911 VanDerWaalsContact CA-O 3.26Å; T907-K911 WeakPolarHBondContact CA-O 3.45Å; T907-C1001 PolarHBondContact O-SG 3.45Å |
| 908 | V | 88.1 | Confident | 91.2 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 120.7 | 171.2 | -176 | 0 | 0 | 0 | 0 | 107.9 | F906 G910 K911 Y913 F995 V1004 | F906-V908 HydrophobicContact CD2-CG2 4.08Å; F906-V908 HydrophobicContact CE2-CG2 4.15Å; V908-G910 PolarHBondContact O-N 3.25Å; V908-K911 PolarHBondContact N-O 3.28Å; V908-K911 PolarHBondContact O-N 3.21Å; V908-Y913 HydrophobicContact CB-CD2 4.01Å; V908-Y913 HydrophobicContact CB-CE2 3.8Å; V908-Y913 HydrophobicContact CG2-CD2 4Å; V908-Y913 HydrophobicContact CG2-CE2 4.26Å; V908-F995 HydrophobicContact CG1-CD2 3.55Å; V908-F995 HydrophobicContact CG1-CE2 3.92Å; V908-F995 HydrophobicContact CG1-CG 4.48Å; V908-V1004 HydrophobicContact CG1-CG1 4.29Å; V908-V1004 HydrophobicContact CG2-CB 4.26Å; V908-V1004 HydrophobicContact CG2-CG1 3.93Å |
| 909 | A | 85.1 | Confident | 91.2 | Very high | 34 Ų | 34 | 59.2 Ų | 59.2 | 28% | 0.281 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 42.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | K911 L946 E997 D998 | A909-K911 VanDerWaalsContact C-N 3.25Å; A909-K911 PolarHBondContact O-N 2.81Å; A909-L946 HydrophobicContact CB-CD2 3.44Å; A909-L946 VanDerWaalsContact CB-CD2 3.44Å; A909-E997 HydrophobicContact CB-CB 3.77Å; A909-D998 PolarHBondContact N-OD2 3.09Å |
| 910 | G | 84.4 | Confident | 91.1 | Very high | 71 Ų | 71 | 60.2 Ų | 60.2 | 73% | 0.732 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.3 | -2.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116 | V908 | V908-G910 PolarHBondContact O-N 3.25Š|
| 911 | K | 88.3 | Confident | 91.1 | Very high | 102 Ų | 102 | 60.1 Ų | 60.1 | 44% | 0.443 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 138.1 | 174 | -68.5 | 179.7 | -177.4 | 176.2 | 0 | 110.8 | T907 V908 A909 Y913 N944 | T907-K911 CarbonylContact C-O 3.53Å; T907-K911 VanDerWaalsContact CA-O 3.26Å; T907-K911 WeakPolarHBondContact CA-O 3.45Å; V908-K911 PolarHBondContact N-O 3.28Å; V908-K911 PolarHBondContact O-N 3.21Å; A909-K911 VanDerWaalsContact C-N 3.25Å; A909-K911 PolarHBondContact O-N 2.81Å; K911-Y913 HydrophobicContact CB-CD2 4.47Å; K911-Y913 HydrophobicContact CB-CE2 3.62Å; K911-Y913 VanDerWaalsContact O-CD2 3.25Å; K911-Y913 WeakPolarHBondContact O-CD2 3.25Å; K911-Y913 WeakPolarHBondContact O-CE2 3.36Å; K911-N944 PolarHBondContact NZ-O 2.97Å |
| 912 | K | 91.1 | Very high | 90.9 | Very high | 154 Ų | 154 | 62.6 Ų | 62.6 | 67% | 0.67 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 130.6 | -177.5 | -168.2 | 176.7 | -176.2 | 175.8 | 0 | 110.6 | S905 F906 | S905-K912 WeakPolarHBondContact OG-CE 3.47Å; S905-K912 PolarHBondContact OG-NZ 3.47Å; F906-K912 WeakPolarHBondContact O-CA 3.29Å |
| 913 | Y | 92.7 | Very high | 90.4 | Very high | 25 Ų | 25 | 55.2 Ų | 55.2 | 10% | 0.098 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 169.5 | 178.2 | -60.9 | -83.2 | 0 | 0 | 0 | 110.4 | S905 F906 V908 K911 D917 F919 P1005 | S905-Y913 CarbonylContact C-O 3.58Å; S905-Y913 WeakPolarHBondContact CA-O 3.32Å; S905-Y913 WeakPolarHBondContact CB-O 3.47Å; F906-Y913 HydrophobicContact CE2-CG 4.4Å; F906-Y913 PolarHBondContact N-O 3.28Å; F906-Y913 PolarHBondContact O-N 3.16Å; V908-Y913 HydrophobicContact CB-CD2 4.01Å; V908-Y913 HydrophobicContact CB-CE2 3.8Å; V908-Y913 HydrophobicContact CG2-CD2 4Å; V908-Y913 HydrophobicContact CG2-CE2 4.26Å; K911-Y913 HydrophobicContact CB-CD2 4.47Å; K911-Y913 HydrophobicContact CB-CE2 3.62Å; K911-Y913 VanDerWaalsContact O-CD2 3.25Å; K911-Y913 WeakPolarHBondContact O-CD2 3.25Å; K911-Y913 WeakPolarHBondContact O-CE2 3.36Å; Y913-D917 WeakPolarHBondContact CA-OD2 3.22Å; Y913-D917 HydrophobicContact CD1-CB 3.83Å; Y913-F919 HydrophobicContact CE1-CE1 4.2Å; Y913-F919 HydrophobicContact CE1-CZ 4.33Å; Y913-P1005 HydrophobicContact CD1-CB 4.46Å; Y913-P1005 HydrophobicContact CD1-CG 3.44Å; Y913-P1005 VanDerWaalsContact CD1-CG 3.44Å; Y913-P1005 HydrophobicContact CD2-CG 3.91Å; Y913-P1005 HydrophobicContact CE1-CG 3.84Å; Y913-P1005 HydrophobicContact CE2-CG 4.28Å; Y913-P1005 HydrophobicContact CG-CG 3.47Å; Y913-P1005 VanDerWaalsContact CG-CG 3.47Å |
| 914 | T | 93.6 | Very high | 90.1 | Very high | 27 Ų | 27 | 59.9 Ų | 59.9 | 17% | 0.166 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 173.9 | 177.1 | 66.7 | 0 | 0 | 0 | 0 | 109.4 | P903 F906 W916 D917 | P903-T914 HydrophobicContact CB-CG2 4.42Å; P903-T914 HydrophobicContact CG-CG2 4.01Å; F906-T914 VanDerWaalsContact CE1-C 3.44Å; T914-W916 PolarHBondContact O-N 3.03Å; T914-W916 PolarHBondContact OG1-N 2.91Å; T914-D917 PolarHBondContact N-OD2 2.97Å; T914-D917 PolarHBondContact O-N 2.79Å; T914-D917 VanDerWaalsContact O-N 3.09Å; T914-D917 PolarHBondContact OG1-OD2 2.77Å |
| 915 | L | 91.4 | Very high | 89 | Confident | 58 Ų | 58 | 57.4 Ų | 57.4 | 30% | 0.304 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -19.9 | 176.4 | 77.2 | 93.1 | 0 | 0 | 0 | 114.1 | V543 P903 | V543-L915 HydrophobicContact CB-CD1 4.33Å; V543-L915 HydrophobicContact CG1-CD1 3.63Å; V543-L915 HydrophobicContact CG2-CD1 3.68Å; P903-L915 HydrophobicContact CB-CD2 3.97Å; P903-L915 HydrophobicContact CB-CG 4.35Å |
| 916 | W | 94.1 | Very high | 87.2 | Confident | 3 Ų | 3 | 60.5 Ų | 60.5 | 1% | 0.011 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -10.4 | -178.8 | -63.6 | 107.2 | 0 | 0 | 0 | 113.7 | V543 V564 P566 H567 T569 T914 | V543-W916 HydrophobicContact CB-CZ3 4.29Å; V543-W916 HydrophobicContact CG1-CE3 4.49Å; V543-W916 HydrophobicContact CG2-CH2 3.92Å; V543-W916 HydrophobicContact CG2-CZ2 4.38Å; V543-W916 HydrophobicContact CG2-CZ3 4.11Å; V564-W916 HydrophobicContact CG1-CH2 3.61Å; V564-W916 HydrophobicContact CG1-CZ2 3.48Å; V564-W916 VanDerWaalsContact CG1-CZ2 3.48Å; P566-W916 HydrophobicContact CB-CD2 4.42Å; P566-W916 HydrophobicContact CB-CE3 3.93Å; P566-W916 HydrophobicContact CB-CH2 4.33Å; P566-W916 HydrophobicContact CB-CZ3 3.86Å; P566-W916 HydrophobicContact CG-CH2 4.16Å; P566-W916 HydrophobicContact CG-CZ3 3.93Å; H567-W916 PolarHBondContact CE1-O 2.85Å; H567-W916 VanDerWaalsContact N-CG 3.28Å; H567-W916 WeakPolarHBondContact ND1-CB 3.31Å; T569-W916 PolarHBondContact O-NE1 2.84Å; T914-W916 PolarHBondContact O-N 3.03Å; T914-W916 PolarHBondContact OG1-N 2.91Å |
| 917 | D | 92.5 | Very high | 85.7 | Confident | 56 Ų | 56 | 67 Ų | 67 | 30% | 0.299 | 36% | 0.355 | S | S | . | . | trans | -86.7 | 138.8 | -179.6 | -60.2 | -59.9 | 0 | 0 | 0 | 110.2 | Y913 T914 P1005 | Y913-D917 WeakPolarHBondContact CA-OD2 3.22Å; Y913-D917 HydrophobicContact CD1-CB 3.83Å; T914-D917 PolarHBondContact N-OD2 2.97Å; T914-D917 PolarHBondContact O-N 2.79Å; T914-D917 VanDerWaalsContact O-N 3.09Å; T914-D917 PolarHBondContact OG1-OD2 2.77Å; D917-P1005 WeakPolarHBondContact O-CB 3.48Å | ||
| 918 | D | 90.6 | Very high | 84.9 | Confident | 38 Ų | 38 | 69.6 Ų | 69.6 | 20% | 0.203 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 164 | 178.2 | 58.4 | 75.4 | 0 | 0 | 0 | 111 | Q546 T1006 R1008 | Q546-D918 PolarHBondContact NE2-OD2 3.44Å; D918-T1006 CarbonylContact C-O 3.59Å; D918-T1006 WeakPolarHBondContact CA-O 3.37Å; D918-T1006 WeakPolarHBondContact CB-O 3.19Å; D918-R1008 HydrophobicContact CB-CG 4.2Å; D918-R1008 IonicContact OD1-CZ 2.98Å; D918-R1008 VanDerWaalsContact OD1-CZ 3.23Å; D918-R1008 IonicContact OD1-NE 2.63Å; D918-R1008 PolarHBondContact OD1-NE 2.85Å; D918-R1008 IonicContact OD1-NH2 2.68Å; D918-R1008 PolarHBondContact OD1-NH2 3.41Å; D918-R1008 IonicContact OD2-CZ 2.72Å; D918-R1008 IonicContact OD2-NE 3.48Å; D918-R1008 PolarHBondContact OD2-NE 2.92Å; D918-R1008 IonicContact OD2-NH1 3.83Å; D918-R1008 IonicContact OD2-NH2 3.6Å; D918-R1008 PolarHBondContact OD2-NH2 2.76Å |
| 919 | F | 91.4 | Very high | 84.7 | Confident | 9 Ų | 9 | 78.3 Ų | 78.3 | 4% | 0.039 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 93 | 171.4 | -53.1 | -58.8 | 0 | 0 | 0 | 108.9 | Y913 V921 N944 L946 P993 F995 P1005 T1006 I1007 R1008 | Y913-F919 HydrophobicContact CE1-CE1 4.2Å; Y913-F919 HydrophobicContact CE1-CZ 4.33Å; F919-V921 PolarHBondContact O-N 2.91Å; F919-N944 VanDerWaalsContact CD1-ND2 3.33Å; F919-N944 WeakPolarHBondContact CD1-ND2 3.35Å; F919-N944 HydrophobicContact CE1-CB 4.19Å; F919-N944 VanDerWaalsContact CE1-ND2 3.31Å; F919-N944 WeakPolarHBondContact CE1-ND2 3.5Å; F919-L946 HydrophobicContact CE1-CD1 4.48Å; F919-L946 HydrophobicContact CZ-CD1 3.89Å; F919-P993 HydrophobicContact CE2-CG 4.49Å; F919-F995 HydrophobicContact CD2-CZ 4.49Å; F919-F995 HydrophobicContact CE2-CE2 4.2Å; F919-F995 AromaticContact CE2-CZ 3.68Å; F919-F995 HydrophobicContact CE2-CZ 3.68Å; F919-F995 HydrophobicContact CZ-CZ 4.23Å; F919-P1005 HydrophobicContact CD2-CB 4.1Å; F919-P1005 HydrophobicContact CE1-CB 4.5Å; F919-P1005 HydrophobicContact CE2-CB 3.67Å; F919-P1005 HydrophobicContact CE2-CG 3.93Å; F919-P1005 HydrophobicContact CZ-CB 3.9Å; F919-P1005 HydrophobicContact CZ-CG 3.78Å; F919-T1006 PolarHBondContact N-O 2.92Å; F919-I1007 HydrophobicContact CB-CB 4.47Å; F919-I1007 HydrophobicContact CB-CG1 4.04Å; F919-I1007 HydrophobicContact CD2-CG1 3.94Å; F919-I1007 HydrophobicContact CG-CG1 4.46Å; F919-I1007 CarbonylContact O-C 3.49Å; F919-I1007 WeakPolarHBondContact O-CA 3.34Å; F919-R1008 PolarHBondContact O-N 2.61Å |
| 920 | L | 90.4 | Very high | 85 | Confident | 94 Ų | 94 | 77.6 Ų | 77.6 | 49% | 0.492 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 122.8 | 175.4 | -176.4 | 65.6 | 0 | 0 | 0 | 110.5 | R1008 M1010 | L920-R1008 HydrophobicContact CD1-CB 4.13Å; L920-M1010 HydrophobicContact CD1-CG 3.9Å; L920-M1010 HydrophobicContact CD1-SD 4.2Å |
| 921 | V | 91.9 | Very high | 85.4 | Confident | 3 Ų | 3 | 75.2 Ų | 75.2 | 2% | 0.018 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 123.4 | 179.8 | -177.9 | 0 | 0 | 0 | 0 | 110.4 | F919 G923 M931 L936 I1007 R1008 Y1009 M1010 | F919-V921 PolarHBondContact O-N 2.91Å; V921-G923 PolarHBondContact O-N 2.79Å; V921-M931 HydrophobicContact CG1-CE 4.45Å; V921-M931 HydrophobicContact CG1-SD 3.92Å; V921-L936 HydrophobicContact CB-CD1 4.28Å; V921-L936 HydrophobicContact CG1-CD1 3.87Å; V921-L936 HydrophobicContact CG2-CD1 4.05Å; V921-I1007 HydrophobicContact CB-CG2 4.36Å; V921-I1007 HydrophobicContact CG2-CG2 3.82Å; V921-R1008 PolarHBondContact N-O 3.34Å; V921-Y1009 HydrophobicContact CB-CD2 4.23Å; V921-Y1009 HydrophobicContact CG1-CD2 3.98Å; V921-Y1009 HydrophobicContact CG1-CE2 4.26Å; V921-M1010 PolarHBondContact O-N 3.41Å |
| 922 | E | 90.2 | Very high | 85.7 | Confident | 121 Ų | 121 | 72 Ų | 72 | 57% | 0.565 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 105 | 171.1 | -67.5 | -178 | 174 | 0 | 0 | 110 | R924 M931 | E922-R924 VanDerWaalsContact C-N 3.27Å; E922-R924 PolarHBondContact O-N 2.86Å; E922-M931 VanDerWaalsContact O-SD 3.41Å |
| 923 | G | 85.8 | Confident | 85.8 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -67.3 | -24.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | V921 E930 M931 Y1009 M1010 | V921-G923 PolarHBondContact O-N 2.79Å; G923-E930 CarbonylContact O-C 3.55Å; G923-E930 WeakPolarHBondContact O-CA 3.28Å; G923-M931 WeakPolarHBondContact O-CG 3.46Å; G923-M931 PolarHBondContact O-N 3.14Å; G923-Y1009 VanDerWaalsContact CA-CE2 3.46Å; G923-Y1009 VanDerWaalsContact CA-OH 3.31Å; G923-Y1009 WeakPolarHBondContact CA-OH 2.99Å; G923-Y1009 PolarHBondContact O-OH 2.82Å; G923-M1010 WeakPolarHBondContact CA-O 2.92Å; G923-M1010 PolarHBondContact N-O 2.99Å |
| 924 | R | 85.9 | Confident | 85.8 | Confident | 118 Ų | 118 | 65.4 Ų | 65.4 | 45% | 0.445 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -126.2 | 129.5 | 166.7 | -49.9 | 174.9 | 172.1 | -131.5 | -9.4 | 108.3 | E922 E930 L1012 | E922-R924 VanDerWaalsContact C-N 3.27Å; E922-R924 PolarHBondContact O-N 2.86Å; R924-E930 HydrophobicContact CG-CB 4.05Å; R924-E930 HydrophobicContact CG-CG 4.34Å; R924-E930 IonicContact CZ-OE2 3.78Å; R924-E930 IonicContact NE-OE2 3.76Å; R924-E930 IonicContact NH2-OE2 3.35Å; R924-E930 PolarHBondContact NH2-OE2 2.91Å; R924-L1012 VanDerWaalsContact CB-O 3.25Å; R924-L1012 WeakPolarHBondContact CB-O 3.47Å; R924-L1012 WeakPolarHBondContact CD-O 3.42Å; R924-L1012 WeakPolarHBondContact CG-O 3.17Å |
| 925 | R | 69.4 | Low | 85.8 | Confident | 116 Ų | 116 | 67.8 Ų | 67.8 | 44% | 0.438 | 34% | 0.344 | S | S | . | . | trans | -93.8 | 142.8 | 169.5 | -62.6 | 179.9 | -177.4 | 178.8 | 1.9 | 108 | N927 Q928 H939 | R925-N927 PolarHBondContact O-N 2.71Å; R925-N927 VanDerWaalsContact O-N 3.08Å; R925-Q928 WeakPolarHBondContact O-CB 3.4Å; R925-Q928 PolarHBondContact O-N 3Å; R925-H939 PolarHBondContact NH2-CE1 3.38Å; R925-H939 PolarHBondContact NH2-ND1 3.33Å | ||
| 926 | C | 54 | Low | 85.9 | Confident | 124 Ų | 124 | 65 Ų | 65 | 84% | 0.838 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -30.8 | 111 | -175.1 | -64.8 | 0 | 0 | 0 | 0 | 114.2 | Q928 | C926-Q928 PolarHBondContact O-N 2.99Š|
| 927 | N | 59.8 | Low | 85.9 | Confident | 180 Ų | 180 | 66 Ų | 66 | 96% | 0.963 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.3 | 16.7 | 179.9 | -56.3 | -24.4 | 0 | 0 | 0 | 117.3 | R925 | R925-N927 PolarHBondContact O-N 2.71Å; R925-N927 VanDerWaalsContact O-N 3.08Å |
| 928 | Q | 72.9 | Confident | 85.9 | Confident | 128 Ų | 128 | 67.7 Ų | 67.7 | 60% | 0.598 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -103.6 | 160.5 | 175.9 | -62 | -172.5 | -26 | 0 | 0 | 112.6 | R925 C926 | R925-Q928 WeakPolarHBondContact O-CB 3.4Å; R925-Q928 PolarHBondContact O-N 3Å; C926-Q928 PolarHBondContact O-N 2.99Å |
| 929 | Q | 83.4 | Confident | 86 | Confident | 183 Ų | 183 | 67.2 Ų | 67.2 | 86% | 0.855 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 153.1 | 167.5 | -82.1 | -178.7 | -31.5 | 0 | 0 | 110.2 | ||
| 930 | E | 91.3 | Very high | 86 | Confident | 20 Ų | 20 | 66.9 Ų | 66.9 | 9% | 0.093 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 139.2 | 174.3 | -174.4 | 177.8 | 152.4 | 0 | 0 | 111.2 | G923 R924 T932 S971 Y1009 | G923-E930 CarbonylContact O-C 3.55Å; G923-E930 WeakPolarHBondContact O-CA 3.28Å; R924-E930 HydrophobicContact CG-CB 4.05Å; R924-E930 HydrophobicContact CG-CG 4.34Å; R924-E930 IonicContact CZ-OE2 3.78Å; R924-E930 IonicContact NE-OE2 3.76Å; R924-E930 IonicContact NH2-OE2 3.35Å; R924-E930 PolarHBondContact NH2-OE2 2.91Å; E930-T932 PolarHBondContact O-N 3.31Å; E930-S971 WeakPolarHBondContact OE1-CB 3.33Å; E930-S971 PolarHBondContact OE1-N 2.78Å; E930-S971 PolarHBondContact OE1-OG 3.43Å; E930-S971 PolarHBondContact OE2-OG 3.2Å; E930-Y1009 VanDerWaalsContact CG-OH 3.23Å; E930-Y1009 WeakPolarHBondContact CG-OH 3.47Å |
| 931 | M | 92.3 | Very high | 86.1 | Confident | 20 Ų | 20 | 66.9 Ų | 66.9 | 10% | 0.099 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -55.1 | 133.4 | 177.5 | -71.2 | 179.3 | 75.8 | 0 | 0 | 110.3 | V921 E922 G923 D935 H939 V970 Y1009 | V921-M931 HydrophobicContact CG1-CE 4.45Å; V921-M931 HydrophobicContact CG1-SD 3.92Å; E922-M931 VanDerWaalsContact O-SD 3.41Å; G923-M931 WeakPolarHBondContact O-CG 3.46Å; G923-M931 PolarHBondContact O-N 3.14Å; M931-D935 HydrophobicContact CB-CB 3.98Å; M931-D935 HydrophobicContact CE-CB 3.75Å; M931-D935 VanDerWaalsContact CE-O 3.24Å; M931-D935 WeakPolarHBondContact CE-O 3.47Å; M931-D935 HydrophobicContact CG-CB 4.22Å; M931-H939 HydrophobicContact CE-CB 3.66Å; M931-V970 PolarHBondContact O-N 3.45Å; M931-Y1009 HydrophobicContact CB-CE2 4.34Å; M931-Y1009 PolarHBondContact O-OH 3.27Å |
| 932 | T | 94.3 | Very high | 86.1 | Confident | 35 Ų | 35 | 73.2 Ų | 73.2 | 22% | 0.215 | 36% | 0.361 | C | S | . | . | B | Isolated β-bridge | trans | -72 | 164.4 | 167.6 | 66.2 | 0 | 0 | 0 | 0 | 110.4 | E930 A934 D935 L936 K967 M968 | E930-T932 PolarHBondContact O-N 3.31Å; T932-A934 PolarHBondContact O-N 3.25Å; T932-D935 WeakPolarHBondContact CB-OD2 3.41Å; T932-D935 PolarHBondContact N-OD2 2.95Å; T932-D935 PolarHBondContact O-N 3.41Å; T932-D935 VanDerWaalsContact O-N 3.09Å; T932-D935 PolarHBondContact OG1-N 2.91Å; T932-D935 PolarHBondContact OG1-OD2 3.36Å; T932-L936 PolarHBondContact O-N 2.78Å; T932-K967 WeakPolarHBondContact CG2-O 3.44Å; T932-M968 CarbonylContact C-O 3.6Å; T932-M968 WeakPolarHBondContact CA-O 3.19Å; T932-M968 WeakPolarHBondContact CB-O 3.43Å |
| 933 | L | 93.6 | Very high | 86.1 | Confident | 2 Ų | 2 | 71.2 Ų | 71.2 | 1% | 0.01 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -55.5 | -37.8 | 171.7 | 175.9 | 65.5 | 0 | 0 | 0 | 111.7 | L936 I937 I951 Y959 R965 L966 M968 L973 | L933-L936 PolarHBondContact O-N 3.39Å; L933-I937 HydrophobicContact CD1-CD1 4.17Å; L933-I937 HydrophobicContact CD1-CG1 4.42Å; L933-I937 HydrophobicContact CG-CD1 4.03Å; L933-I937 WeakPolarHBondContact O-CG1 3.39Å; L933-I937 PolarHBondContact O-N 3.46Å; L933-I951 HydrophobicContact CD1-CD1 3.77Å; L933-Y959 HydrophobicContact CD2-CD2 3.7Å; L933-Y959 HydrophobicContact CD2-CG 3.99Å; L933-R965 HydrophobicContact CD2-CB 4.11Å; L933-L966 HydrophobicContact CD2-CD2 4.19Å; L933-L966 HydrophobicContact CG-CD2 4.28Å; L933-M968 PolarHBondContact N-O 2.85Å; L933-L973 HydrophobicContact CB-CD2 4.35Å; L933-L973 HydrophobicContact CD1-CD2 4.42Å; L933-L973 HydrophobicContact CD2-CD2 3.68Å; L933-L973 HydrophobicContact CG-CD2 4.37Å |
| 934 | A | 93.3 | Very high | 86.1 | Confident | 38 Ų | 38 | 73.1 Ų | 73.1 | 31% | 0.314 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T932 L936 I937 Q938 L966 | T932-A934 PolarHBondContact O-N 3.25Å; A934-L936 VanDerWaalsContact C-N 3.31Å; A934-L936 PolarHBondContact O-N 2.88Å; A934-I937 PolarHBondContact O-N 2.96Å; A934-Q938 WeakPolarHBondContact O-CB 3.37Å; A934-Q938 PolarHBondContact O-N 3.25Å; A934-L966 HydrophobicContact CB-CB 4.26Å; A934-L966 HydrophobicContact CB-CD2 4.48Å; A934-L966 VanDerWaalsContact CB-O 3.32Å; A934-L966 WeakPolarHBondContact CB-O 3.36Å; A934-L966 PolarHBondContact N-O 3.21Å |
| 935 | D | 93.5 | Very high | 86.2 | Confident | 78 Ų | 78 | 69.9 Ų | 69.9 | 42% | 0.417 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.5 | -39.4 | 177.9 | -58.3 | -45.5 | 0 | 0 | 0 | 111 | M931 T932 Q938 H939 | M931-D935 HydrophobicContact CB-CB 3.98Å; M931-D935 HydrophobicContact CE-CB 3.75Å; M931-D935 VanDerWaalsContact CE-O 3.24Å; M931-D935 WeakPolarHBondContact CE-O 3.47Å; M931-D935 HydrophobicContact CG-CB 4.22Å; T932-D935 WeakPolarHBondContact CB-OD2 3.41Å; T932-D935 PolarHBondContact N-OD2 2.95Å; T932-D935 PolarHBondContact O-N 3.41Å; T932-D935 VanDerWaalsContact O-N 3.09Å; T932-D935 PolarHBondContact OG1-N 2.91Å; T932-D935 PolarHBondContact OG1-OD2 3.36Å; D935-Q938 PolarHBondContact O-N 3.02Å; D935-H939 WeakPolarHBondContact O-CB 3.28Å; D935-H939 PolarHBondContact O-N 3.44Å |
| 936 | L | 93.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.1 | -49.2 | 176.9 | 174.3 | 61.9 | 0 | 0 | 0 | 111.5 | V921 T932 L933 A934 Q938 H939 V940 I951 V970 L991 I1007 Y1009 | V921-L936 HydrophobicContact CB-CD1 4.28Å; V921-L936 HydrophobicContact CG1-CD1 3.87Å; V921-L936 HydrophobicContact CG2-CD1 4.05Å; T932-L936 PolarHBondContact O-N 2.78Å; L933-L936 PolarHBondContact O-N 3.39Å; A934-L936 VanDerWaalsContact C-N 3.31Å; A934-L936 PolarHBondContact O-N 2.88Å; L936-Q938 VanDerWaalsContact C-N 3.32Å; L936-Q938 PolarHBondContact O-N 3.48Å; L936-H939 PolarHBondContact O-N 2.92Å; L936-V940 HydrophobicContact CD1-CG2 4.37Å; L936-V940 PolarHBondContact O-N 3.36Å; L936-V940 VanDerWaalsContact O-N 3.07Å; L936-I951 HydrophobicContact CD2-CD1 4.01Å; L936-V970 HydrophobicContact CB-CG2 4.36Å; L936-V970 HydrophobicContact CD2-CG2 4.01Å; L936-L991 HydrophobicContact CD2-CD1 3.69Å; L936-I1007 HydrophobicContact CD1-CG2 4.18Å; L936-Y1009 HydrophobicContact CD1-CD2 4.07Å; L936-Y1009 HydrophobicContact CD1-CE2 4.38Å; L936-Y1009 HydrophobicContact CD2-CD2 4.44Å |
| 937 | I | 93.3 | Very high | 88.9 | Confident | 23 Ų | 23 | 60 Ų | 60 | 12% | 0.118 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 178.6 | -68.5 | 166.3 | 0 | 0 | 0 | 110.3 | L933 A934 H939 K941 I948 I951 Y959 L966 | L933-I937 HydrophobicContact CD1-CD1 4.17Å; L933-I937 HydrophobicContact CD1-CG1 4.42Å; L933-I937 HydrophobicContact CG-CD1 4.03Å; L933-I937 WeakPolarHBondContact O-CG1 3.39Å; L933-I937 PolarHBondContact O-N 3.46Å; A934-I937 PolarHBondContact O-N 2.96Å; I937-H939 VanDerWaalsContact C-N 3.35Å; I937-K941 WeakPolarHBondContact O-CB 3.32Å; I937-K941 PolarHBondContact O-N 3.11Å; I937-K941 VanDerWaalsContact O-N 3.11Å; I937-I948 HydrophobicContact CG1-CB 4.29Å; I937-I948 HydrophobicContact CG1-CD1 4.43Å; I937-I948 HydrophobicContact CG1-CG2 4.43Å; I937-I948 HydrophobicContact CG2-CB 4.28Å; I937-I951 HydrophobicContact CG1-CD1 4.25Å; I937-Y959 HydrophobicContact CD1-CD1 3.78Å; I937-Y959 HydrophobicContact CD1-CD2 4.45Å; I937-Y959 HydrophobicContact CD1-CE1 3.64Å; I937-Y959 HydrophobicContact CD1-CE2 4.33Å; I937-Y959 HydrophobicContact CD1-CG 4.19Å; I937-L966 HydrophobicContact CD1-CD2 3.86Å |
| 938 | Q | 93.1 | Very high | 90.4 | Very high | 92 Ų | 92 | 51.6 Ų | 51.6 | 43% | 0.43 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.5 | -40.9 | 178.5 | -174.9 | 60.1 | 32 | 0 | 0 | 111.5 | A934 D935 L936 K941 E942 | A934-Q938 WeakPolarHBondContact O-CB 3.37Å; A934-Q938 PolarHBondContact O-N 3.25Å; D935-Q938 PolarHBondContact O-N 3.02Å; L936-Q938 VanDerWaalsContact C-N 3.32Å; L936-Q938 PolarHBondContact O-N 3.48Å; Q938-K941 WeakPolarHBondContact O-CB 3.3Å; Q938-K941 PolarHBondContact O-N 3.06Å; Q938-E942 HydrophobicContact CG-CG 4.47Å; Q938-E942 WeakPolarHBondContact CG-OE1 3.31Å; Q938-E942 PolarHBondContact NE2-OE1 3.36Å; Q938-E942 WeakPolarHBondContact O-CG 3.42Å; Q938-E942 PolarHBondContact O-N 3.09Å |
| 939 | H | 92.4 | Very high | 91.2 | Very high | 28 Ų | 28 | 46.5 Ų | 46.5 | 13% | 0.13 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.5 | -50.8 | 178.9 | 180 | 61 | 0 | 0 | 0 | 111.8 | R925 M931 D935 L936 I937 K941 E942 T943 | R925-H939 PolarHBondContact NH2-CE1 3.38Å; R925-H939 PolarHBondContact NH2-ND1 3.33Å; M931-H939 HydrophobicContact CE-CB 3.66Å; D935-H939 WeakPolarHBondContact O-CB 3.28Å; D935-H939 PolarHBondContact O-N 3.44Å; L936-H939 PolarHBondContact O-N 2.92Å; I937-H939 VanDerWaalsContact C-N 3.35Å; H939-K941 VanDerWaalsContact C-N 3.26Å; H939-K941 PolarHBondContact O-N 3.31Å; H939-E942 PolarHBondContact O-N 3.28Å; H939-E942 VanDerWaalsContact O-N 3.13Å; H939-T943 VanDerWaalsContact CE1-CG2 3.46Å; H939-T943 WeakPolarHBondContact CE1-CG2 3.36Å; H939-T943 PolarHBondContact O-N 3.23Å; H939-T943 PolarHBondContact O-OG1 3.25Å |
| 940 | V | 91.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61 | -37.5 | 177.9 | 174.6 | 0 | 0 | 0 | 0 | 111.2 | L936 N944 I948 F995 I1007 | L936-V940 HydrophobicContact CD1-CG2 4.37Å; L936-V940 PolarHBondContact O-N 3.36Å; L936-V940 VanDerWaalsContact O-N 3.07Å; V940-N944 HydrophobicContact CG1-CB 4.45Å; V940-N944 WeakPolarHBondContact O-CA 3.33Å; V940-N944 WeakPolarHBondContact O-CB 3.01Å; V940-N944 PolarHBondContact O-N 2.93Å; V940-I948 HydrophobicContact CB-CD1 3.88Å; V940-I948 HydrophobicContact CB-CG1 4.42Å; V940-I948 HydrophobicContact CG1-CD1 4Å; V940-I948 HydrophobicContact CG1-CG1 4.17Å; V940-I948 HydrophobicContact CG2-CD1 4Å; V940-F995 HydrophobicContact CG1-CE1 4.08Å; V940-I1007 HydrophobicContact CG2-CD1 4.17Å |
| 941 | K | 91.7 | Very high | 91.8 | Very high | 95 Ų | 95 | 37.2 Ų | 37.2 | 41% | 0.413 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.9 | -43.8 | 174.5 | -172.2 | 170.1 | -173 | 154.5 | 0 | 112.5 | I937 Q938 H939 G945 L946 T947 | I937-K941 WeakPolarHBondContact O-CB 3.32Å; I937-K941 PolarHBondContact O-N 3.11Å; I937-K941 VanDerWaalsContact O-N 3.11Å; Q938-K941 WeakPolarHBondContact O-CB 3.3Å; Q938-K941 PolarHBondContact O-N 3.06Å; H939-K941 VanDerWaalsContact C-N 3.26Å; H939-K941 PolarHBondContact O-N 3.31Å; K941-G945 WeakPolarHBondContact O-CA 3.47Å; K941-G945 PolarHBondContact O-N 3.5Å; K941-L946 VanDerWaalsContact CA-O 3.25Å; K941-L946 WeakPolarHBondContact CA-O 3.46Å; K941-T947 PolarHBondContact NZ-OG1 3.18Å |
| 942 | E | 92.4 | Very high | 91.8 | Very high | 135 Ų | 135 | 39.3 Ų | 39.3 | 63% | 0.631 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -70.4 | -41.1 | 179.8 | -73.6 | 172.9 | -177.5 | 0 | 0 | 112.8 | Q938 H939 | Q938-E942 HydrophobicContact CG-CG 4.47Å; Q938-E942 WeakPolarHBondContact CG-OE1 3.31Å; Q938-E942 PolarHBondContact NE2-OE1 3.36Å; Q938-E942 WeakPolarHBondContact O-CG 3.42Å; Q938-E942 PolarHBondContact O-N 3.09Å; H939-E942 PolarHBondContact O-N 3.28Å; H939-E942 VanDerWaalsContact O-N 3.13Å |
| 943 | T | 89.7 | Confident | 91.7 | Very high | 80 Ų | 80 | 39.6 Ų | 39.6 | 49% | 0.491 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -82.7 | -36.6 | -175.8 | 50.2 | 0 | 0 | 0 | 0 | 113 | H939 | H939-T943 VanDerWaalsContact CE1-CG2 3.46Å; H939-T943 WeakPolarHBondContact CE1-CG2 3.36Å; H939-T943 PolarHBondContact O-N 3.23Å; H939-T943 PolarHBondContact O-OG1 3.25Å |
| 944 | N | 87.1 | Confident | 91.4 | Very high | 39 Ų | 39 | 42.3 Ų | 42.3 | 21% | 0.209 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -113.7 | -14.1 | -170.8 | -58.9 | 89.2 | 0 | 0 | 0 | 113.1 | K911 F919 V940 L946 | K911-N944 PolarHBondContact NZ-O 2.97Å; F919-N944 VanDerWaalsContact CD1-ND2 3.33Å; F919-N944 WeakPolarHBondContact CD1-ND2 3.35Å; F919-N944 HydrophobicContact CE1-CB 4.19Å; F919-N944 VanDerWaalsContact CE1-ND2 3.31Å; F919-N944 WeakPolarHBondContact CE1-ND2 3.5Å; V940-N944 HydrophobicContact CG1-CB 4.45Å; V940-N944 WeakPolarHBondContact O-CA 3.33Å; V940-N944 WeakPolarHBondContact O-CB 3.01Å; V940-N944 PolarHBondContact O-N 2.93Å; N944-L946 VanDerWaalsContact C-N 3.31Å; N944-L946 HydrophobicContact CB-CD1 4.21Å; N944-L946 HydrophobicContact CB-CG 4.23Å |
| 945 | G | 87.9 | Confident | 91.1 | Very high | 50 Ų | 50 | 47.4 Ų | 47.4 | 52% | 0.515 | 27% | 0.272 | S | S | . | . | trans | 71.5 | 25.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | K941 | K941-G945 WeakPolarHBondContact O-CA 3.47Å; K941-G945 PolarHBondContact O-N 3.5Å | ||
| 946 | L | 90.1 | Very high | 91 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | trans | -116.7 | 134 | -176.6 | -58.8 | 175.1 | 0 | 0 | 0 | 110.3 | A909 F919 K941 N944 F995 | A909-L946 HydrophobicContact CB-CD2 3.44Å; A909-L946 VanDerWaalsContact CB-CD2 3.44Å; F919-L946 HydrophobicContact CE1-CD1 4.48Å; F919-L946 HydrophobicContact CZ-CD1 3.89Å; K941-L946 VanDerWaalsContact CA-O 3.25Å; K941-L946 WeakPolarHBondContact CA-O 3.46Å; N944-L946 VanDerWaalsContact C-N 3.31Å; N944-L946 HydrophobicContact CB-CD1 4.21Å; N944-L946 HydrophobicContact CB-CG 4.23Å; L946-F995 HydrophobicContact CB-CD1 3.48Å; L946-F995 VanDerWaalsContact CB-CD1 3.48Å; L946-F995 HydrophobicContact CB-CE1 3.57Å; L946-F995 HydrophobicContact CB-CG 4.18Å; L946-F995 HydrophobicContact CB-CZ 4.37Å; L946-F995 HydrophobicContact CD1-CD1 4.23Å; L946-F995 HydrophobicContact CD1-CD2 4.41Å; L946-F995 HydrophobicContact CD1-CE1 3.87Å; L946-F995 HydrophobicContact CD1-CE2 4.09Å; L946-F995 HydrophobicContact CD1-CG 4.46Å; L946-F995 HydrophobicContact CD1-CZ 3.8Å; L946-F995 HydrophobicContact CG-CD1 4.39Å; L946-F995 HydrophobicContact CG-CE1 4.36Å | ||
| 947 | T | 90.5 | Very high | 91 | Very high | 28 Ų | 28 | 48 Ų | 48 | 17% | 0.172 | 28% | 0.276 | C | S | . | . | trans | -97.7 | 111.6 | -179.5 | -52.5 | 0 | 0 | 0 | 0 | 109.4 | K941 C949 F995 D996 E997 | K941-T947 PolarHBondContact NZ-OG1 3.18Å; T947-C949 PolarHBondContact O-N 3.33Å; T947-F995 CarbonylContact O-C 3.53Å; T947-F995 VanDerWaalsContact O-CA 3.25Å; T947-F995 WeakPolarHBondContact O-CA 3.4Å; T947-D996 WeakPolarHBondContact CG2-OD2 3.33Å; T947-D996 PolarHBondContact O-N 3.06Å; T947-E997 WeakPolarHBondContact CB-OE1 3.04Å; T947-E997 VanDerWaalsContact N-CD 3.3Å; T947-E997 PolarHBondContact N-OE1 3.35Å; T947-E997 PolarHBondContact N-OE2 3.26Å; T947-E997 PolarHBondContact OG1-OE1 3.23Å | ||
| 948 | I | 91.1 | Very high | 91 | Very high | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 124.2 | -179.8 | -62.8 | -178.9 | 0 | 0 | 0 | 110.6 | I937 V940 S950 I951 P993 S994 F995 I1007 | I937-I948 HydrophobicContact CG1-CB 4.29Å; I937-I948 HydrophobicContact CG1-CD1 4.43Å; I937-I948 HydrophobicContact CG1-CG2 4.43Å; I937-I948 HydrophobicContact CG2-CB 4.28Å; V940-I948 HydrophobicContact CB-CD1 3.88Å; V940-I948 HydrophobicContact CB-CG1 4.42Å; V940-I948 HydrophobicContact CG1-CD1 4Å; V940-I948 HydrophobicContact CG1-CG1 4.17Å; V940-I948 HydrophobicContact CG2-CD1 4Å; I948-S950 VanDerWaalsContact CG2-O 3.31Å; I948-S950 WeakPolarHBondContact CG2-O 3.46Å; I948-I951 HydrophobicContact CD1-CD1 4.06Å; I948-I951 HydrophobicContact CD1-CG1 4.47Å; I948-I951 HydrophobicContact CG2-CD1 3.91Å; I948-I951 HydrophobicContact CG2-CG1 3.42Å; I948-I951 VanDerWaalsContact CG2-CG1 3.42Å; I948-P993 HydrophobicContact CD1-CB 4.39Å; I948-P993 HydrophobicContact CG1-CB 4.44Å; I948-S994 CarbonylContact C-O 3.56Å; I948-S994 WeakPolarHBondContact CA-O 3.4Å; I948-F995 HydrophobicContact CG1-CD1 4.04Å; I948-F995 HydrophobicContact CG1-CE1 3.72Å; I948-I1007 HydrophobicContact CD1-CD1 3.9Å |
| 949 | C | 90.1 | Very high | 91 | Very high | 21 Ų | 21 | 44.3 Ų | 44.3 | 14% | 0.142 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | -37.7 | 173.8 | 67.1 | 0 | 0 | 0 | 0 | 112.4 | T947 Y959 S994 D996 | T947-C949 PolarHBondContact O-N 3.33Å; C949-Y959 WeakPolarHBondContact O-CD1 3.5Å; C949-Y959 WeakPolarHBondContact O-CE1 3.41Å; C949-S994 PolarHBondContact N-O 2.88Å; C949-S994 PolarHBondContact SG-O 2.99Å; C949-S994 PolarHBondContact SG-OG 2.98Å; C949-D996 WeakPolarHBondContact CB-OD1 3.2Å |
| 950 | S | 91.6 | Very high | 91 | Very high | 7 Ų | 7 | 47.6 Ų | 47.6 | 5% | 0.049 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 156 | 174.7 | 87 | 0 | 0 | 0 | 0 | 112.9 | I948 F952 Y959 P993 S994 | I948-S950 VanDerWaalsContact CG2-O 3.31Å; I948-S950 WeakPolarHBondContact CG2-O 3.46Å; S950-F952 WeakPolarHBondContact OG-CE2 3.42Å; S950-F952 WeakPolarHBondContact OG-CZ 3.37Å; S950-Y959 CarbonylContact C-O 3.54Å; S950-Y959 WeakPolarHBondContact CA-O 3.35Å; S950-Y959 WeakPolarHBondContact CB-O 3.48Å; S950-P993 CarbonylContact O-C 3.51Å; S950-P993 WeakPolarHBondContact O-CA 2.87Å; S950-S994 WeakPolarHBondContact CB-OG 3.39Å; S950-S994 PolarHBondContact N-OG 2.93Å; S950-S994 PolarHBondContact O-N 2.87Å; S950-S994 PolarHBondContact OG-OG 3.05Å |
| 951 | I | 93.9 | Very high | 90.6 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 131.6 | 176.5 | -56.4 | -174.8 | 0 | 0 | 0 | 108.9 | L933 L936 I937 I948 L958 Y959 L991 I992 | L933-I951 HydrophobicContact CD1-CD1 3.77Å; L936-I951 HydrophobicContact CD2-CD1 4.01Å; I937-I951 HydrophobicContact CG1-CD1 4.25Å; I948-I951 HydrophobicContact CD1-CD1 4.06Å; I948-I951 HydrophobicContact CD1-CG1 4.47Å; I948-I951 HydrophobicContact CG2-CD1 3.91Å; I948-I951 HydrophobicContact CG2-CG1 3.42Å; I948-I951 VanDerWaalsContact CG2-CG1 3.42Å; I951-L958 HydrophobicContact CB-CB 4.42Å; I951-L958 HydrophobicContact CG2-CB 4.42Å; I951-L958 HydrophobicContact CG2-CD1 4.21Å; I951-L958 WeakPolarHBondContact O-CA 3.12Å; I951-L958 WeakPolarHBondContact O-CB 3.46Å; I951-L958 PolarHBondContact O-N 2.96Å; I951-Y959 PolarHBondContact N-O 3.07Å; I951-Y959 PolarHBondContact O-N 3.32Å; I951-Y959 VanDerWaalsContact O-N 3.14Å; I951-L991 HydrophobicContact CG2-CB 3.81Å; I951-L991 HydrophobicContact CG2-CD1 4.34Å; I951-I992 WeakPolarHBondContact CA-O 3.37Å |
| 952 | F | 93.3 | Very high | 90.4 | Very high | 63 Ų | 63 | 48.5 Ų | 48.5 | 28% | 0.276 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 150 | 176.4 | -52.3 | -97.1 | 0 | 0 | 0 | 111.8 | S950 A956 I957 L991 I992 | S950-F952 WeakPolarHBondContact OG-CE2 3.42Å; S950-F952 WeakPolarHBondContact OG-CZ 3.37Å; F952-A956 CarbonylContact C-O 3.27Å; F952-A956 VanDerWaalsContact CA-O 3.27Å; F952-A956 WeakPolarHBondContact CA-O 3.3Å; F952-I957 HydrophobicContact CD1-CB 4.42Å; F952-I957 HydrophobicContact CD1-CG1 3.85Å; F952-I957 HydrophobicContact CE1-CB 4.46Å; F952-I957 HydrophobicContact CE1-CD1 4.14Å; F952-I957 HydrophobicContact CE1-CG1 3.69Å; F952-I957 HydrophobicContact CE1-CG2 4.41Å; F952-L991 CarbonylContact O-C 3.48Å; F952-L991 WeakPolarHBondContact O-CA 3.44Å; F952-I992 HydrophobicContact CB-CB 4.32Å; F952-I992 WeakPolarHBondContact CD2-O 3.45Å; F952-I992 PolarHBondContact N-O 3.48Å; F952-I992 PolarHBondContact O-N 3.13Å |
| 953 | Y | 92.4 | Very high | 90.1 | Very high | 42 Ų | 42 | 50.4 Ų | 50.4 | 17% | 0.165 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 105.3 | 166.8 | 175 | -105.7 | 0 | 0 | 0 | 108.7 | T955 A956 V974 T978 K986 L989 E990 L991 | Y953-T955 PolarHBondContact O-N 3.03Å; Y953-A956 PolarHBondContact N-O 3.46Å; Y953-A956 WeakPolarHBondContact O-CB 3.4Å; Y953-A956 PolarHBondContact O-N 3.34Å; Y953-V974 HydrophobicContact CD1-CG1 3.69Å; Y953-V974 HydrophobicContact CD1-CG2 4.37Å; Y953-V974 HydrophobicContact CE1-CG1 3.58Å; Y953-V974 HydrophobicContact CG-CG1 4.34Å; Y953-V974 HydrophobicContact CG-CG2 4.26Å; Y953-T978 HydrophobicContact CD1-CG2 3.89Å; Y953-T978 HydrophobicContact CE1-CG2 4.21Å; Y953-K986 PolarHBondContact OH-NZ 2.7Å; Y953-L989 HydrophobicContact CE2-CB 4.33Å; Y953-L989 HydrophobicContact CE2-CD2 3.89Å; Y953-E990 WeakPolarHBondContact CD2-O 3.36Å; Y953-L991 HydrophobicContact CD2-CD2 3.92Å; Y953-L991 HydrophobicContact CG-CD2 4.43Å |
| 954 | G | 87.4 | Confident | 90.1 | Very high | 58 Ų | 58 | 52.1 Ų | 52.1 | 60% | 0.598 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | -126.5 | -163.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 955 | T | 86.2 | Confident | 90.3 | Very high | 146 Ų | 146 | 52.3 Ų | 52.3 | 90% | 0.896 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -3.7 | 175.3 | 54.8 | 0 | 0 | 0 | 0 | 113.6 | Y953 | Y953-T955 PolarHBondContact O-N 3.03Š|
| 956 | A | 92.1 | Very high | 90.4 | Very high | 18 Ų | 18 | 52 Ų | 52 | 15% | 0.149 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 130.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F952 Y953 L958 V977 T978 | F952-A956 CarbonylContact C-O 3.27Å; F952-A956 VanDerWaalsContact CA-O 3.27Å; F952-A956 WeakPolarHBondContact CA-O 3.3Å; Y953-A956 PolarHBondContact N-O 3.46Å; Y953-A956 WeakPolarHBondContact O-CB 3.4Å; Y953-A956 PolarHBondContact O-N 3.34Å; A956-L958 PolarHBondContact O-N 3.39Å; A956-V977 HydrophobicContact CB-CG1 3.91Å; A956-T978 HydrophobicContact CB-CG2 3.96Å |
| 957 | I | 93.6 | Very high | 90.5 | Very high | 71 Ų | 71 | 60.7 Ų | 60.7 | 36% | 0.364 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 106.6 | 177.4 | -49.2 | -176.8 | 0 | 0 | 0 | 109.3 | F952 N960 R965 | F952-I957 HydrophobicContact CD1-CB 4.42Å; F952-I957 HydrophobicContact CD1-CG1 3.85Å; F952-I957 HydrophobicContact CE1-CB 4.46Å; F952-I957 HydrophobicContact CE1-CD1 4.14Å; F952-I957 HydrophobicContact CE1-CG1 3.69Å; F952-I957 HydrophobicContact CE1-CG2 4.41Å; I957-N960 HydrophobicContact CG2-CB 3.94Å; I957-R965 PolarHBondContact O-NH1 3.15Å |
| 958 | L | 92.7 | Very high | 90.7 | Very high | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | -46.3 | 175.9 | -58 | -171.5 | 0 | 0 | 0 | 110.7 | I951 A956 R965 L973 V974 V977 L991 | I951-L958 HydrophobicContact CB-CB 4.42Å; I951-L958 HydrophobicContact CG2-CB 4.42Å; I951-L958 HydrophobicContact CG2-CD1 4.21Å; I951-L958 WeakPolarHBondContact O-CA 3.12Å; I951-L958 WeakPolarHBondContact O-CB 3.46Å; I951-L958 PolarHBondContact O-N 2.96Å; A956-L958 PolarHBondContact O-N 3.39Å; L958-R965 VanDerWaalsContact O-CD 3.23Å; L958-R965 WeakPolarHBondContact O-CD 3.45Å; L958-R965 PolarHBondContact O-NH1 2.86Å; L958-L973 HydrophobicContact CB-CD2 4.04Å; L958-L973 HydrophobicContact CB-CG 4.48Å; L958-L973 HydrophobicContact CD2-CG 4.45Å; L958-V974 HydrophobicContact CD1-CG2 3.71Å; L958-V974 HydrophobicContact CD2-CG2 3.95Å; L958-V977 HydrophobicContact CD2-CB 4.18Å; L958-V977 HydrophobicContact CD2-CG2 4.26Å; L958-L991 HydrophobicContact CD1-CD2 3.86Å |
| 959 | Y | 93.3 | Very high | 90.8 | Very high | 36 Ų | 36 | 62.4 Ų | 62.4 | 14% | 0.141 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 140.3 | -177.6 | -177.1 | -113.1 | 0 | 0 | 0 | 110.9 | L933 I937 C949 S950 I951 L966 | L933-Y959 HydrophobicContact CD2-CD2 3.7Å; L933-Y959 HydrophobicContact CD2-CG 3.99Å; I937-Y959 HydrophobicContact CD1-CD1 3.78Å; I937-Y959 HydrophobicContact CD1-CD2 4.45Å; I937-Y959 HydrophobicContact CD1-CE1 3.64Å; I937-Y959 HydrophobicContact CD1-CE2 4.33Å; I937-Y959 HydrophobicContact CD1-CG 4.19Å; C949-Y959 WeakPolarHBondContact O-CD1 3.5Å; C949-Y959 WeakPolarHBondContact O-CE1 3.41Å; S950-Y959 CarbonylContact C-O 3.54Å; S950-Y959 WeakPolarHBondContact CA-O 3.35Å; S950-Y959 WeakPolarHBondContact CB-O 3.48Å; I951-Y959 PolarHBondContact N-O 3.07Å; I951-Y959 PolarHBondContact O-N 3.32Å; I951-Y959 VanDerWaalsContact O-N 3.14Å; Y959-L966 HydrophobicContact CD2-CD2 4.22Å; Y959-L966 HydrophobicContact CE2-CD2 3.65Å; Y959-L966 HydrophobicContact CE2-CG 4.26Å |
| 960 | N | 91.4 | Very high | 91 | Very high | 97 Ų | 97 | 61.5 Ų | 61.5 | 52% | 0.519 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.7 | 59.9 | 170.7 | -172.4 | 7.5 | 0 | 0 | 0 | 107.1 | I957 H962 | I957-N960 HydrophobicContact CG2-CB 3.94Å; N960-H962 PolarHBondContact O-N 3.27Å |
| 961 | G | 84.1 | Confident | 91 | Very high | 46 Ų | 46 | 61.8 Ų | 61.8 | 47% | 0.474 | 33% | 0.332 | S | S | . | . | S | Bend | trans | 83.5 | -0.1 | -176 | 0 | 0 | 0 | 0 | 0 | 117.5 | K963 | G961-K963 PolarHBondContact O-N 3.23Å; G961-K963 VanDerWaalsContact O-N 3.08Å |
| 962 | H | 87.9 | Confident | 91 | Very high | 70 Ų | 70 | 65.7 Ų | 65.7 | 32% | 0.324 | 35% | 0.353 | S | S | . | . | trans | -66.8 | 99.5 | 177.3 | -62.1 | 94 | 0 | 0 | 0 | 112.6 | N960 D964 R965 | N960-H962 PolarHBondContact O-N 3.27Å; H962-D964 VanDerWaalsContact C-N 3.34Å; H962-D964 PolarHBondContact O-N 3.45Å; H962-R965 HydrophobicContact CB-CB 4.35Å; H962-R965 HydrophobicContact CB-CG 4.02Å; H962-R965 PolarHBondContact O-N 3.25Å | ||
| 963 | K | 85.9 | Confident | 91 | Very high | 175 Ų | 175 | 62.8 Ų | 62.8 | 76% | 0.761 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -27.3 | -175.8 | -67.4 | -174.6 | 179.3 | 179.6 | 0 | 114.3 | G961 R965 | G961-K963 PolarHBondContact O-N 3.23Å; G961-K963 VanDerWaalsContact O-N 3.08Å; K963-R965 VanDerWaalsContact C-N 3.28Å; K963-R965 PolarHBondContact O-N 3.1Å |
| 964 | D | 88.5 | Confident | 91.1 | Very high | 116 Ų | 116 | 60.8 Ų | 60.8 | 62% | 0.62 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -29.9 | 178.1 | 57.4 | -51.7 | 0 | 0 | 0 | 112.6 | H962 | H962-D964 VanDerWaalsContact C-N 3.34Å; H962-D964 PolarHBondContact O-N 3.45Å |
| 965 | R | 91.4 | Very high | 91.4 | Very high | 42 Ų | 42 | 61 Ų | 61 | 16% | 0.158 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -83.3 | -16.7 | -177.7 | -62.2 | 175.3 | -178.3 | -167.6 | 3.5 | 114.1 | L933 I957 L958 H962 K963 K967 M968 L973 | L933-R965 HydrophobicContact CD2-CB 4.11Å; I957-R965 PolarHBondContact O-NH1 3.15Å; L958-R965 VanDerWaalsContact O-CD 3.23Å; L958-R965 WeakPolarHBondContact O-CD 3.45Å; L958-R965 PolarHBondContact O-NH1 2.86Å; H962-R965 HydrophobicContact CB-CB 4.35Å; H962-R965 HydrophobicContact CB-CG 4.02Å; H962-R965 PolarHBondContact O-N 3.25Å; K963-R965 VanDerWaalsContact C-N 3.28Å; K963-R965 PolarHBondContact O-N 3.1Å; R965-K967 VanDerWaalsContact C-N 3.25Å; R965-K967 PolarHBondContact O-N 2.94Å; R965-M968 WeakPolarHBondContact O-CB 3.33Å; R965-M968 PolarHBondContact O-N 2.82Å; R965-M968 VanDerWaalsContact O-N 3.13Å; R965-L973 HydrophobicContact CB-CD1 3.93Å; R965-L973 HydrophobicContact CB-CD2 4.24Å; R965-L973 HydrophobicContact CG-CD1 3.81Å |
| 966 | L | 91.1 | Very high | 91.8 | Very high | 43 Ų | 43 | 58.4 Ų | 58.4 | 23% | 0.225 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -30.4 | -172.8 | -73.9 | 176.6 | 0 | 0 | 0 | 114.1 | L933 A934 I937 Y959 | L933-L966 HydrophobicContact CD2-CD2 4.19Å; L933-L966 HydrophobicContact CG-CD2 4.28Å; A934-L966 HydrophobicContact CB-CB 4.26Å; A934-L966 HydrophobicContact CB-CD2 4.48Å; A934-L966 VanDerWaalsContact CB-O 3.32Å; A934-L966 WeakPolarHBondContact CB-O 3.36Å; A934-L966 PolarHBondContact N-O 3.21Å; I937-L966 HydrophobicContact CD1-CD2 3.86Å; Y959-L966 HydrophobicContact CD2-CD2 4.22Å; Y959-L966 HydrophobicContact CE2-CD2 3.65Å; Y959-L966 HydrophobicContact CE2-CG 4.26Å |
| 967 | K | 92.5 | Very high | 91.8 | Very high | 188 Ų | 188 | 59.4 Ų | 59.4 | 82% | 0.817 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -4.9 | -178 | -63.7 | -178.1 | 179.4 | 179.7 | 0 | 113.7 | T932 R965 | T932-K967 WeakPolarHBondContact CG2-O 3.44Å; R965-K967 VanDerWaalsContact C-N 3.25Å; R965-K967 PolarHBondContact O-N 2.94Å |
| 968 | M | 93.6 | Very high | 91.6 | Very high | 51 Ų | 51 | 57.8 Ų | 57.8 | 25% | 0.251 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -83.5 | 148.1 | -178.6 | -61.7 | -175 | 64 | 0 | 0 | 110.4 | T932 L933 R965 D972 L973 M976 | T932-M968 CarbonylContact C-O 3.6Å; T932-M968 WeakPolarHBondContact CA-O 3.19Å; T932-M968 WeakPolarHBondContact CB-O 3.43Å; L933-M968 PolarHBondContact N-O 2.85Å; R965-M968 WeakPolarHBondContact O-CB 3.33Å; R965-M968 PolarHBondContact O-N 2.82Å; R965-M968 VanDerWaalsContact O-N 3.13Å; M968-D972 HydrophobicContact CE-CB 4.18Å; M968-L973 HydrophobicContact CB-CB 4.37Å; M968-L973 HydrophobicContact SD-CD1 4.26Å; M968-M976 HydrophobicContact CE-CB 4.46Å; M968-M976 HydrophobicContact CE-CE 3.37Å; M968-M976 HydrophobicContact SD-CE 3.14Å; M968-M976 WeakPolarHBondContact SD-CE 3.39Å |
| 969 | S | 94.1 | Very high | 91.5 | Very high | 17 Ų | 17 | 66.8 Ų | 66.8 | 12% | 0.119 | 33% | 0.333 | C | S | . | . | B | Isolated β-bridge | trans | -60.9 | 150 | 166.2 | 75.8 | 0 | 0 | 0 | 0 | 109.6 | S971 D972 L973 | S969-S971 VanDerWaalsContact C-N 3.29Å; S969-S971 PolarHBondContact O-N 2.86Å; S969-S971 PolarHBondContact OG-OG 3.38Å; S969-D972 PolarHBondContact O-N 3.23Å; S969-D972 WeakPolarHBondContact OG-CB 3.45Å; S969-D972 PolarHBondContact OG-N 3.3Å; S969-D972 VanDerWaalsContact OG-N 3.13Å; S969-D972 PolarHBondContact OG-OD2 3.41Å; S969-L973 WeakPolarHBondContact O-CB 3.5Å; S969-L973 PolarHBondContact O-N 2.86Å |
| 970 | V | 93.8 | Very high | 91.3 | Very high | 2 Ų | 2 | 72.6 Ų | 72.6 | 1% | 0.012 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.4 | -41.2 | -178.9 | 176.2 | 0 | 0 | 0 | 0 | 110.8 | M931 L936 L973 V974 L989 L991 Y1009 | M931-V970 PolarHBondContact O-N 3.45Å; L936-V970 HydrophobicContact CB-CG2 4.36Å; L936-V970 HydrophobicContact CD2-CG2 4.01Å; V970-L973 PolarHBondContact O-N 2.85Å; V970-V974 WeakPolarHBondContact O-CG2 3.31Å; V970-V974 PolarHBondContact O-N 3.04Å; V970-L989 HydrophobicContact CG1-CD1 4.36Å; V970-L991 HydrophobicContact CG1-CD1 3.99Å; V970-Y1009 HydrophobicContact CB-CD1 4.36Å; V970-Y1009 HydrophobicContact CB-CE1 3.74Å; V970-Y1009 HydrophobicContact CB-CE2 4.21Å; V970-Y1009 HydrophobicContact CG1-CD1 4.03Å; V970-Y1009 HydrophobicContact CG1-CE1 3.92Å; V970-Y1009 HydrophobicContact CG1-CG 4.36Å; V970-Y1009 HydrophobicContact CG2-CE1 4.28Å; V970-Y1009 HydrophobicContact CG2-CE2 3.82Å |
| 971 | S | 92.6 | Very high | 91.3 | Very high | 13 Ų | 13 | 74.6 Ų | 74.6 | 9% | 0.091 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.5 | -45 | 178.3 | 63.5 | 0 | 0 | 0 | 0 | 113.3 | E930 S969 L973 V974 K975 | E930-S971 WeakPolarHBondContact OE1-CB 3.33Å; E930-S971 PolarHBondContact OE1-N 2.78Å; E930-S971 PolarHBondContact OE1-OG 3.43Å; E930-S971 PolarHBondContact OE2-OG 3.2Å; S969-S971 VanDerWaalsContact C-N 3.29Å; S969-S971 PolarHBondContact O-N 2.86Å; S969-S971 PolarHBondContact OG-OG 3.38Å; S971-L973 VanDerWaalsContact C-N 3.25Å; S971-L973 PolarHBondContact O-N 3.25Å; S971-V974 PolarHBondContact O-N 3.38Å; S971-K975 WeakPolarHBondContact O-CG 3.4Å; S971-K975 PolarHBondContact O-N 3.2Å |
| 972 | D | 93.4 | Very high | 91.5 | Very high | 84 Ų | 84 | 73.5 Ų | 73.5 | 45% | 0.449 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.7 | -36 | 177.5 | -67.8 | -36.7 | 0 | 0 | 0 | 111.2 | M968 S969 K975 M976 | M968-D972 HydrophobicContact CE-CB 4.18Å; S969-D972 PolarHBondContact O-N 3.23Å; S969-D972 WeakPolarHBondContact OG-CB 3.45Å; S969-D972 PolarHBondContact OG-N 3.3Å; S969-D972 VanDerWaalsContact OG-N 3.13Å; S969-D972 PolarHBondContact OG-OD2 3.41Å; D972-K975 PolarHBondContact O-N 3.23Å; D972-M976 WeakPolarHBondContact O-CB 3.24Å; D972-M976 PolarHBondContact O-N 3.37Å |
| 973 | L | 93.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 72.8 Ų | 72.8 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.1 | -44.5 | 176.6 | -178.9 | 59.7 | 0 | 0 | 0 | 111.8 | L933 L958 R965 M968 S969 V970 S971 K975 M976 V977 | L933-L973 HydrophobicContact CB-CD2 4.35Å; L933-L973 HydrophobicContact CD1-CD2 4.42Å; L933-L973 HydrophobicContact CD2-CD2 3.68Å; L933-L973 HydrophobicContact CG-CD2 4.37Å; L958-L973 HydrophobicContact CB-CD2 4.04Å; L958-L973 HydrophobicContact CB-CG 4.48Å; L958-L973 HydrophobicContact CD2-CG 4.45Å; R965-L973 HydrophobicContact CB-CD1 3.93Å; R965-L973 HydrophobicContact CB-CD2 4.24Å; R965-L973 HydrophobicContact CG-CD1 3.81Å; M968-L973 HydrophobicContact CB-CB 4.37Å; M968-L973 HydrophobicContact SD-CD1 4.26Å; S969-L973 WeakPolarHBondContact O-CB 3.5Å; S969-L973 PolarHBondContact O-N 2.86Å; V970-L973 PolarHBondContact O-N 2.85Å; S971-L973 VanDerWaalsContact C-N 3.25Å; S971-L973 PolarHBondContact O-N 3.25Å; L973-K975 VanDerWaalsContact C-N 3.3Å; L973-K975 PolarHBondContact O-N 3.02Å; L973-M976 HydrophobicContact CD1-CE 4.1Å; L973-M976 PolarHBondContact O-N 3.29Å; L973-V977 HydrophobicContact CD1-CG2 3.84Å; L973-V977 HydrophobicContact CG-CG2 4.37Å; L973-V977 WeakPolarHBondContact O-CG2 3.32Å; L973-V977 PolarHBondContact O-N 3.11Å |
| 974 | V | 93.6 | Very high | 91.4 | Very high | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.006 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -57.5 | -45.4 | 174.7 | 166.7 | 0 | 0 | 0 | 0 | 110.6 | Y953 L958 V970 S971 M976 T978 I982 L989 | Y953-V974 HydrophobicContact CD1-CG1 3.69Å; Y953-V974 HydrophobicContact CD1-CG2 4.37Å; Y953-V974 HydrophobicContact CE1-CG1 3.58Å; Y953-V974 HydrophobicContact CG-CG1 4.34Å; Y953-V974 HydrophobicContact CG-CG2 4.26Å; L958-V974 HydrophobicContact CD1-CG2 3.71Å; L958-V974 HydrophobicContact CD2-CG2 3.95Å; V970-V974 WeakPolarHBondContact O-CG2 3.31Å; V970-V974 PolarHBondContact O-N 3.04Å; S971-V974 PolarHBondContact O-N 3.38Å; V974-M976 PolarHBondContact O-N 2.87Å; V974-T978 HydrophobicContact CG1-CG2 4.29Å; V974-T978 WeakPolarHBondContact O-CB 3.44Å; V974-T978 VanDerWaalsContact O-CG2 3.31Å; V974-T978 WeakPolarHBondContact O-CG2 3.41Å; V974-T978 PolarHBondContact O-N 3.05Å; V974-T978 PolarHBondContact O-OG1 2.85Å; V974-I982 HydrophobicContact CB-CD1 4.15Å; V974-I982 HydrophobicContact CG1-CD1 4.01Å; V974-I982 HydrophobicContact CG1-CG1 4.04Å; V974-L989 HydrophobicContact CG2-CD1 4.24Å |
| 975 | K | 93.9 | Very high | 91.1 | Very high | 61 Ų | 61 | 67.8 Ų | 67.8 | 27% | 0.265 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 177.8 | -66.5 | 175.9 | -172.6 | -158 | 0 | 112.4 | S971 D972 L973 K979 K980 E981 I982 | S971-K975 WeakPolarHBondContact O-CG 3.4Å; S971-K975 PolarHBondContact O-N 3.2Å; D972-K975 PolarHBondContact O-N 3.23Å; L973-K975 VanDerWaalsContact C-N 3.3Å; L973-K975 PolarHBondContact O-N 3.02Å; K975-K979 VanDerWaalsContact O-CA 3.25Å; K975-K979 WeakPolarHBondContact O-CA 3.45Å; K975-K979 PolarHBondContact O-N 3.39Å; K975-K980 WeakPolarHBondContact CA-O 3.19Å; K975-E981 WeakPolarHBondContact CD-OE2 3.34Å; K975-E981 WeakPolarHBondContact CE-OE2 3.25Å; K975-E981 IonicContact NZ-OE2 3.25Å; K975-E981 PolarHBondContact NZ-OE2 2.9Å; K975-I982 HydrophobicContact CG-CD1 4.29Å; K975-I982 HydrophobicContact CG-CG1 4.06Å |
| 976 | M | 93.8 | Very high | 90.8 | Very high | 92 Ų | 92 | 68.5 Ų | 68.5 | 45% | 0.453 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.4 | -48 | -179.8 | -172.9 | -124.8 | -70.2 | 0 | 0 | 112 | M968 D972 L973 V974 | M968-M976 HydrophobicContact CE-CB 4.46Å; M968-M976 HydrophobicContact CE-CE 3.37Å; M968-M976 HydrophobicContact SD-CE 3.14Å; M968-M976 WeakPolarHBondContact SD-CE 3.39Å; D972-M976 WeakPolarHBondContact O-CB 3.24Å; D972-M976 PolarHBondContact O-N 3.37Å; L973-M976 HydrophobicContact CD1-CE 4.1Å; L973-M976 PolarHBondContact O-N 3.29Å; V974-M976 PolarHBondContact O-N 2.87Å |
| 977 | V | 92.4 | Very high | 90.6 | Very high | 39 Ų | 39 | 69.9 Ų | 69.9 | 24% | 0.236 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -73.5 | -43 | -175.4 | 179.7 | 0 | 0 | 0 | 0 | 111.3 | A956 L958 L973 K979 | A956-V977 HydrophobicContact CB-CG1 3.91Å; L958-V977 HydrophobicContact CD2-CB 4.18Å; L958-V977 HydrophobicContact CD2-CG2 4.26Å; L973-V977 HydrophobicContact CD1-CG2 3.84Å; L973-V977 HydrophobicContact CG-CG2 4.37Å; L973-V977 WeakPolarHBondContact O-CG2 3.32Å; L973-V977 PolarHBondContact O-N 3.11Å; V977-K979 VanDerWaalsContact C-N 3.3Å; V977-K979 PolarHBondContact O-N 3.12Å |
| 978 | T | 90.6 | Very high | 90.5 | Very high | 38 Ų | 38 | 61.3 Ų | 61.3 | 23% | 0.233 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -79.3 | -15.7 | -178.7 | 64.4 | 0 | 0 | 0 | 0 | 113.1 | Y953 A956 V974 K980 | Y953-T978 HydrophobicContact CD1-CG2 3.89Å; Y953-T978 HydrophobicContact CE1-CG2 4.21Å; A956-T978 HydrophobicContact CB-CG2 3.96Å; V974-T978 HydrophobicContact CG1-CG2 4.29Å; V974-T978 WeakPolarHBondContact O-CB 3.44Å; V974-T978 VanDerWaalsContact O-CG2 3.31Å; V974-T978 WeakPolarHBondContact O-CG2 3.41Å; V974-T978 PolarHBondContact O-N 3.05Å; V974-T978 PolarHBondContact O-OG1 2.85Å; T978-K980 PolarHBondContact O-N 3.13Å; T978-K980 PolarHBondContact OG1-N 3.2Å; T978-K980 PolarHBondContact OG1-O 3.37Å |
| 979 | K | 90.6 | Very high | 90.4 | Very high | 191 Ų | 191 | 58.9 Ų | 58.9 | 83% | 0.83 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 26.9 | -170.2 | -55.1 | -179.9 | -179.2 | 177.8 | 0 | 112.8 | K975 V977 | K975-K979 VanDerWaalsContact O-CA 3.25Å; K975-K979 WeakPolarHBondContact O-CA 3.45Å; K975-K979 PolarHBondContact O-N 3.39Å; V977-K979 VanDerWaalsContact C-N 3.3Å; V977-K979 PolarHBondContact O-N 3.12Å |
| 980 | K | 88.7 | Confident | 90.3 | Very high | 157 Ų | 157 | 60.6 Ų | 60.6 | 68% | 0.683 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -128.1 | 140.4 | -179.6 | -67.9 | -178.9 | -177.5 | -175.9 | 0 | 109.6 | K975 T978 | K975-K980 WeakPolarHBondContact CA-O 3.19Å; T978-K980 PolarHBondContact O-N 3.13Å; T978-K980 PolarHBondContact OG1-N 3.2Å; T978-K980 PolarHBondContact OG1-O 3.37Å |
| 981 | E | 90.8 | Very high | 90.3 | Very high | 140 Ų | 140 | 60.6 Ų | 60.6 | 65% | 0.654 | 30% | 0.301 | S | S | * | . | P | Polyproline II helix | trans | -67 | 148.7 | 169.6 | -76.6 | -64.3 | 153.8 | 0 | 0 | 110.8 | K975 P983 | K975-E981 WeakPolarHBondContact CD-OE2 3.34Å; K975-E981 WeakPolarHBondContact CE-OE2 3.25Å; K975-E981 IonicContact NZ-OE2 3.25Å; K975-E981 PolarHBondContact NZ-OE2 2.9Å; E981-P983 WeakPolarHBondContact O-CD 3.4Å |
| 982 | I | 88.7 | Confident | 90.3 | Very high | 22 Ų | 22 | 63.6 Ų | 63.6 | 11% | 0.113 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -80.9 | 123.1 | 171.8 | -61.5 | 171.1 | 0 | 0 | 0 | 107.4 | V974 K975 K986 L989 L1011 | V974-I982 HydrophobicContact CB-CD1 4.15Å; V974-I982 HydrophobicContact CG1-CD1 4.01Å; V974-I982 HydrophobicContact CG1-CG1 4.04Å; K975-I982 HydrophobicContact CG-CD1 4.29Å; K975-I982 HydrophobicContact CG-CG1 4.06Å; I982-K986 HydrophobicContact CG2-CB 4.05Å; I982-K986 HydrophobicContact CG2-CD 4.41Å; I982-K986 HydrophobicContact CG2-CG 4.49Å; I982-L989 HydrophobicContact CD1-CD1 4.25Å; I982-L989 HydrophobicContact CD1-CD2 4.38Å; I982-L989 HydrophobicContact CG2-CD2 4.35Å; I982-L1011 HydrophobicContact CG2-CD1 4.09Å |
| 983 | P | 86.2 | Confident | 90.3 | Very high | 56 Ų | 56 | 59.8 Ų | 59.8 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 138.4 | -179.8 | -25.4 | 34.3 | 0 | 0 | 0 | 112.1 | E981 H985 K986 | E981-P983 WeakPolarHBondContact O-CD 3.4Å; P983-H985 WeakPolarHBondContact CB-CE1 3.5Å; P983-H985 PolarHBondContact O-N 3.48Å; P983-H985 VanDerWaalsContact O-N 3.09Å; P983-K986 WeakPolarHBondContact O-CB 3.41Å; P983-K986 PolarHBondContact O-N 2.92Å |
| 984 | P | 84.6 | Confident | 90.2 | Very high | 120 Ų | 120 | 61 Ų | 61 | 78% | 0.779 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -25.5 | -176.1 | -26.7 | 34.4 | 0 | 0 | 0 | 115.6 | K986 K987 | P984-K986 VanDerWaalsContact C-N 3.32Å; P984-K987 PolarHBondContact O-NZ 2.94Å |
| 985 | H | 82.5 | Confident | 90 | Very high | 66 Ų | 66 | 61 Ų | 61 | 31% | 0.306 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -18.4 | 176.7 | 63.6 | -98.6 | 0 | 0 | 0 | 112.7 | P983 K987 | P983-H985 WeakPolarHBondContact CB-CE1 3.5Å; P983-H985 PolarHBondContact O-N 3.48Å; P983-H985 VanDerWaalsContact O-N 3.09Å; H985-K987 PolarHBondContact O-N 2.74Å; H985-K987 VanDerWaalsContact O-N 3.14Å |
| 986 | K | 85.9 | Confident | 89.6 | Confident | 56 Ų | 56 | 62.1 Ų | 62.1 | 24% | 0.243 | 31% | 0.313 | C | S | . | . | trans | -75.9 | 106.4 | -178.5 | -164 | 162.8 | -166 | 167.6 | 0 | 109.9 | Y953 I982 P983 P984 M988 L989 L1011 | Y953-K986 PolarHBondContact OH-NZ 2.7Å; I982-K986 HydrophobicContact CG2-CB 4.05Å; I982-K986 HydrophobicContact CG2-CD 4.41Å; I982-K986 HydrophobicContact CG2-CG 4.49Å; P983-K986 WeakPolarHBondContact O-CB 3.41Å; P983-K986 PolarHBondContact O-N 2.92Å; P984-K986 VanDerWaalsContact C-N 3.32Å; K986-M988 VanDerWaalsContact CE-O 3.32Å; K986-M988 WeakPolarHBondContact CE-O 3.44Å; K986-M988 WeakPolarHBondContact CG-O 3.18Å; K986-L989 HydrophobicContact CD-CD2 4.07Å; K986-L989 HydrophobicContact CG-CD2 4.39Å; K986-L1011 WeakPolarHBondContact O-CD1 3.32Å | ||
| 987 | K | 87.3 | Confident | 89 | Confident | 72 Ų | 72 | 61.9 Ų | 61.9 | 31% | 0.313 | 31% | 0.31 | S | S | . | . | trans | -94.9 | -9.3 | 179.4 | -56.7 | -53.7 | -175.3 | -168.2 | 0 | 114.2 | Y516 P984 H985 L1011 L1012 | Y516-K987 HydrophobicContact CD1-CB 4.36Å; Y516-K987 HydrophobicContact CG-CB 4.41Å; P984-K987 PolarHBondContact O-NZ 2.94Å; H985-K987 PolarHBondContact O-N 2.74Å; H985-K987 VanDerWaalsContact O-N 3.14Å; K987-L1011 PolarHBondContact O-N 2.83Å; K987-L1012 HydrophobicContact CB-CD2 4.22Å; K987-L1012 HydrophobicContact CD-CD2 4.28Å; K987-L1012 HydrophobicContact CG-CD2 4.39Å | ||
| 988 | M | 90.5 | Very high | 88.4 | Confident | 8 Ų | 8 | 62.4 Ų | 62.4 | 4% | 0.039 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 137.8 | -176.9 | -174.3 | -88.4 | -76.3 | 0 | 0 | 110.2 | Y516 Q544 K986 E990 R1008 Y1009 M1010 | Y516-M988 HydrophobicContact CD2-CB 4.09Å; Y516-M988 HydrophobicContact CE2-CB 4.49Å; Q544-M988 HydrophobicContact CG-CE 3.54Å; K986-M988 VanDerWaalsContact CE-O 3.32Å; K986-M988 WeakPolarHBondContact CE-O 3.44Å; K986-M988 WeakPolarHBondContact CG-O 3.18Å; M988-E990 HydrophobicContact CE-CG 3.86Å; M988-E990 HydrophobicContact SD-CG 3.6Å; M988-E990 VanDerWaalsContact SD-CG 3.6Å; M988-R1008 HydrophobicContact CE-CG 4.24Å; M988-R1008 HydrophobicContact CG-CB 4.26Å; M988-R1008 HydrophobicContact SD-CB 4.11Å; M988-R1008 HydrophobicContact SD-CG 4.13Å; M988-Y1009 WeakPolarHBondContact CA-O 3.38Å; M988-M1010 HydrophobicContact CB-CE 4.24Å; M988-M1010 HydrophobicContact CB-SD 3.78Å; M988-M1010 HydrophobicContact CG-SD 3.53Å; M988-M1010 VanDerWaalsContact CG-SD 3.53Å |
| 989 | L | 91.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 127.8 | 172.8 | -58.2 | 176.8 | 0 | 0 | 0 | 108.9 | Y953 V970 V974 I982 K986 L991 Y1009 L1011 | Y953-L989 HydrophobicContact CE2-CB 4.33Å; Y953-L989 HydrophobicContact CE2-CD2 3.89Å; V970-L989 HydrophobicContact CG1-CD1 4.36Å; V974-L989 HydrophobicContact CG2-CD1 4.24Å; I982-L989 HydrophobicContact CD1-CD1 4.25Å; I982-L989 HydrophobicContact CD1-CD2 4.38Å; I982-L989 HydrophobicContact CG2-CD2 4.35Å; K986-L989 HydrophobicContact CD-CD2 4.07Å; K986-L989 HydrophobicContact CG-CD2 4.39Å; L989-L991 HydrophobicContact CB-CD2 4.15Å; L989-Y1009 HydrophobicContact CD1-CD1 4.22Å; L989-Y1009 PolarHBondContact N-O 3Å; L989-Y1009 PolarHBondContact O-N 3.3Å; L989-L1011 HydrophobicContact CD1-CD1 4.14Å; L989-L1011 HydrophobicContact CD1-CD2 3.9Å; L989-L1011 HydrophobicContact CD1-CG 4.2Å; L989-L1011 HydrophobicContact CD2-CD1 3.96Å; L989-L1011 HydrophobicContact CG-CD1 3.76Å; L989-L1011 HydrophobicContact CG-CD2 4.28Å; L989-L1011 HydrophobicContact CG-CG 4.01Å |
| 990 | E | 90.9 | Very high | 86.6 | Confident | 54 Ų | 54 | 65 Ų | 65 | 25% | 0.252 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 113 | 170.9 | -66.5 | 179.1 | 123.2 | 0 | 0 | 108.8 | Q544 Y953 M988 | Q544-E990 VanDerWaalsContact CG-OE1 3.32Å; Q544-E990 WeakPolarHBondContact CG-OE1 3.43Å; Q544-E990 PolarHBondContact NE2-OE1 2.79Å; Q544-E990 PolarHBondContact NE2-OE2 2.97Å; Q544-E990 VanDerWaalsContact NE2-OE2 3.12Å; Y953-E990 WeakPolarHBondContact CD2-O 3.36Å; M988-E990 HydrophobicContact CE-CG 3.86Å; M988-E990 HydrophobicContact SD-CG 3.6Å; M988-E990 VanDerWaalsContact SD-CG 3.6Å |
| 991 | L | 94.1 | Very high | 86 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 137.9 | 176.9 | -42.9 | 173.8 | 0 | 0 | 0 | 109.1 | L936 I951 F952 Y953 L958 V970 L989 P993 I1007 Y1009 | L936-L991 HydrophobicContact CD2-CD1 3.69Å; I951-L991 HydrophobicContact CG2-CB 3.81Å; I951-L991 HydrophobicContact CG2-CD1 4.34Å; F952-L991 CarbonylContact O-C 3.48Å; F952-L991 WeakPolarHBondContact O-CA 3.44Å; Y953-L991 HydrophobicContact CD2-CD2 3.92Å; Y953-L991 HydrophobicContact CG-CD2 4.43Å; L958-L991 HydrophobicContact CD1-CD2 3.86Å; V970-L991 HydrophobicContact CG1-CD1 3.99Å; L989-L991 HydrophobicContact CB-CD2 4.15Å; L991-P993 WeakPolarHBondContact O-CD 3.42Å; L991-I1007 HydrophobicContact CB-CB 4.14Å; L991-I1007 HydrophobicContact CD1-CG2 4.47Å; L991-I1007 PolarHBondContact N-O 3.44Å; L991-I1007 PolarHBondContact O-N 3.12Å; L991-Y1009 HydrophobicContact CD1-CG 4.42Å |
| 992 | I | 93 | Very high | 85.2 | Confident | 77 Ų | 77 | 61.8 Ų | 61.8 | 40% | 0.395 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 110.9 | 178.3 | -57.5 | 170.6 | 0 | 0 | 0 | 107.2 | I951 F952 V1004 | I951-I992 WeakPolarHBondContact CA-O 3.37Å; F952-I992 HydrophobicContact CB-CB 4.32Å; F952-I992 WeakPolarHBondContact CD2-O 3.45Å; F952-I992 PolarHBondContact N-O 3.48Å; F952-I992 PolarHBondContact O-N 3.13Å; I992-V1004 HydrophobicContact CG2-CG2 4.09Å |
| 993 | P | 92.9 | Very high | 85 | Confident | 3 Ų | 3 | 64.3 Ų | 64.3 | 2% | 0.019 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 165.7 | 176.6 | 33.3 | -33.9 | 0 | 0 | 0 | 112.1 | F919 I948 S950 L991 F995 V1004 I1007 | F919-P993 HydrophobicContact CE2-CG 4.49Å; I948-P993 HydrophobicContact CD1-CB 4.39Å; I948-P993 HydrophobicContact CG1-CB 4.44Å; S950-P993 CarbonylContact O-C 3.51Å; S950-P993 WeakPolarHBondContact O-CA 2.87Å; L991-P993 WeakPolarHBondContact O-CD 3.42Å; P993-F995 HydrophobicContact CB-CE1 4.08Å; P993-F995 HydrophobicContact CB-CE2 4.15Å; P993-F995 HydrophobicContact CB-CZ 3.71Å; P993-F995 HydrophobicContact CG-CE1 4.31Å; P993-F995 HydrophobicContact CG-CE2 3.77Å; P993-F995 HydrophobicContact CG-CZ 3.47Å; P993-F995 VanDerWaalsContact CG-CZ 3.47Å; P993-V1004 HydrophobicContact CG-CG2 4.11Å; P993-V1004 VanDerWaalsContact O-CG2 3.24Å; P993-V1004 WeakPolarHBondContact O-CG2 3.44Å; P993-I1007 HydrophobicContact CB-CD1 3.89Å; P993-I1007 HydrophobicContact CB-CG1 4.48Å; P993-I1007 HydrophobicContact CG-CD1 3.99Å; P993-I1007 HydrophobicContact CG-CG1 4.02Å |
| 994 | S | 90.6 | Very high | 85.1 | Confident | 26 Ų | 26 | 62.7 Ų | 62.7 | 18% | 0.182 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 155 | 154.8 | 67.2 | 0 | 0 | 0 | 0 | 108.5 | I948 C949 S950 | I948-S994 CarbonylContact C-O 3.56Å; I948-S994 WeakPolarHBondContact CA-O 3.4Å; C949-S994 PolarHBondContact N-O 2.88Å; C949-S994 PolarHBondContact SG-O 2.99Å; C949-S994 PolarHBondContact SG-OG 2.98Å; S950-S994 WeakPolarHBondContact CB-OG 3.39Å; S950-S994 PolarHBondContact N-OG 2.93Å; S950-S994 PolarHBondContact O-N 2.87Å; S950-S994 PolarHBondContact OG-OG 3.05Å |
| 995 | F | 89.9 | Confident | 85.3 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 140.4 | -168.8 | -58 | -73.7 | 0 | 0 | 0 | 111.8 | V908 F919 V940 L946 T947 I948 P993 E997 D998 E999 V1004 | V908-F995 HydrophobicContact CG1-CD2 3.55Å; V908-F995 HydrophobicContact CG1-CE2 3.92Å; V908-F995 HydrophobicContact CG1-CG 4.48Å; F919-F995 HydrophobicContact CD2-CZ 4.49Å; F919-F995 HydrophobicContact CE2-CE2 4.2Å; F919-F995 AromaticContact CE2-CZ 3.68Å; F919-F995 HydrophobicContact CE2-CZ 3.68Å; F919-F995 HydrophobicContact CZ-CZ 4.23Å; V940-F995 HydrophobicContact CG1-CE1 4.08Å; L946-F995 HydrophobicContact CB-CD1 3.48Å; L946-F995 VanDerWaalsContact CB-CD1 3.48Å; L946-F995 HydrophobicContact CB-CE1 3.57Å; L946-F995 HydrophobicContact CB-CG 4.18Å; L946-F995 HydrophobicContact CB-CZ 4.37Å; L946-F995 HydrophobicContact CD1-CD1 4.23Å; L946-F995 HydrophobicContact CD1-CD2 4.41Å; L946-F995 HydrophobicContact CD1-CE1 3.87Å; L946-F995 HydrophobicContact CD1-CE2 4.09Å; L946-F995 HydrophobicContact CD1-CG 4.46Å; L946-F995 HydrophobicContact CD1-CZ 3.8Å; L946-F995 HydrophobicContact CG-CD1 4.39Å; L946-F995 HydrophobicContact CG-CE1 4.36Å; T947-F995 CarbonylContact O-C 3.53Å; T947-F995 VanDerWaalsContact O-CA 3.25Å; T947-F995 WeakPolarHBondContact O-CA 3.4Å; I948-F995 HydrophobicContact CG1-CD1 4.04Å; I948-F995 HydrophobicContact CG1-CE1 3.72Å; P993-F995 HydrophobicContact CB-CE1 4.08Å; P993-F995 HydrophobicContact CB-CE2 4.15Å; P993-F995 HydrophobicContact CB-CZ 3.71Å; P993-F995 HydrophobicContact CG-CE1 4.31Å; P993-F995 HydrophobicContact CG-CE2 3.77Å; P993-F995 HydrophobicContact CG-CZ 3.47Å; P993-F995 VanDerWaalsContact CG-CZ 3.47Å; F995-E997 PolarHBondContact O-N 3.36Å; F995-D998 CarbonylContact O-C 3.16Å; F995-D998 VanDerWaalsContact O-C 3.27Å; F995-D998 PolarHBondContact O-N 2.9Å; F995-D998 VanDerWaalsContact O-N 3.14Å; F995-E999 WeakPolarHBondContact O-CA 3.34Å; F995-E999 WeakPolarHBondContact O-CG 3.32Å; F995-E999 PolarHBondContact O-N 2.99Å; F995-V1004 HydrophobicContact CD2-CG1 4.25Å; F995-V1004 HydrophobicContact CE2-CB 4.25Å; F995-V1004 HydrophobicContact CE2-CG1 4.18Å |
| 996 | D | 85.3 | Confident | 85.8 | Confident | 86 Ų | 86 | 56 Ų | 56 | 46% | 0.46 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -32.8 | 176.5 | -77.3 | -25.9 | 0 | 0 | 0 | 111.2 | T947 C949 D998 | T947-D996 WeakPolarHBondContact CG2-OD2 3.33Å; T947-D996 PolarHBondContact O-N 3.06Å; C949-D996 WeakPolarHBondContact CB-OD1 3.2Å; D996-D998 PolarHBondContact O-N 2.83Å |
| 997 | E | 82.9 | Confident | 86.2 | Confident | 86 Ų | 86 | 53.4 Ų | 53.4 | 40% | 0.402 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -13.3 | -177.9 | -59.8 | 85.7 | 177.8 | 0 | 0 | 113.4 | A909 T947 F995 | A909-E997 HydrophobicContact CB-CB 3.77Å; T947-E997 WeakPolarHBondContact CB-OE1 3.04Å; T947-E997 VanDerWaalsContact N-CD 3.3Å; T947-E997 PolarHBondContact N-OE1 3.35Å; T947-E997 PolarHBondContact N-OE2 3.26Å; T947-E997 PolarHBondContact OG1-OE1 3.23Å; F995-E997 PolarHBondContact O-N 3.36Å |
| 998 | D | 79.8 | Confident | 86.3 | Confident | 51 Ų | 51 | 50.6 Ų | 50.6 | 27% | 0.273 | 26% | 0.264 | S | S | . | . | B | Isolated β-bridge | trans | -161.4 | 62.7 | -174.1 | -153.2 | -14.9 | 0 | 0 | 0 | 111.4 | A909 F995 D996 D1000 C1001 | A909-D998 PolarHBondContact N-OD2 3.09Å; F995-D998 CarbonylContact O-C 3.16Å; F995-D998 VanDerWaalsContact O-C 3.27Å; F995-D998 PolarHBondContact O-N 2.9Å; F995-D998 VanDerWaalsContact O-N 3.14Å; D996-D998 PolarHBondContact O-N 2.83Å; D998-D1000 VanDerWaalsContact C-N 3.27Å; D998-D1000 PolarHBondContact O-N 2.83Å; D998-C1001 HydrophobicContact CB-CB 4.38Å; D998-C1001 WeakPolarHBondContact O-CB 3.43Å; D998-C1001 PolarHBondContact O-N 3.2Å |
| 999 | E | 69.9 | Low | 86.5 | Confident | 130 Ų | 130 | 50.2 Ų | 50.2 | 61% | 0.607 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -26.3 | -171.6 | -68.4 | -172.6 | 166.7 | 0 | 0 | 114 | F995 C1001 | F995-E999 WeakPolarHBondContact O-CA 3.34Å; F995-E999 WeakPolarHBondContact O-CG 3.32Å; F995-E999 PolarHBondContact O-N 2.99Å; E999-C1001 VanDerWaalsContact C-N 3.33Å |
| 1000 | D | 71.6 | Confident | 86.4 | Confident | 154 Ų | 154 | 50.7 Ų | 50.7 | 82% | 0.824 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | 6.1 | -177.9 | -66.1 | -40.4 | 0 | 0 | 0 | 113.2 | D998 E1002 | D998-D1000 VanDerWaalsContact C-N 3.27Å; D998-D1000 PolarHBondContact O-N 2.83Å; D1000-E1002 PolarHBondContact O-N 2.83Å |
| 1001 | C | 76.8 | Confident | 86.1 | Confident | 35 Ų | 35 | 49.5 Ų | 49.5 | 24% | 0.236 | 26% | 0.259 | C | S | . | . | trans | -69.5 | 113.7 | -176.5 | -162.5 | 0 | 0 | 0 | 0 | 111.7 | T907 D998 E999 T1003 V1004 | T907-C1001 PolarHBondContact O-SG 3.45Å; D998-C1001 HydrophobicContact CB-CB 4.38Å; D998-C1001 WeakPolarHBondContact O-CB 3.43Å; D998-C1001 PolarHBondContact O-N 3.2Å; E999-C1001 VanDerWaalsContact C-N 3.33Å; C1001-T1003 VanDerWaalsContact C-N 3.26Å; C1001-T1003 PolarHBondContact O-N 3.27Å; C1001-T1003 PolarHBondContact SG-O 2.69Å; C1001-V1004 HydrophobicContact CB-CG1 4.25Å | ||
| 1002 | E | 74.8 | Confident | 85 | Confident | 193 Ų | 193 | 56 Ų | 56 | 90% | 0.902 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -68.3 | -21.8 | -179.6 | -65.3 | -174.3 | 167.9 | 0 | 0 | 113.6 | D1000 | D1000-E1002 PolarHBondContact O-N 2.83Š|
| 1003 | T | 83 | Confident | 84.6 | Confident | 76 Ų | 76 | 55 Ų | 55 | 47% | 0.466 | 29% | 0.288 | S | S | . | . | trans | -141.6 | 124.9 | -175.8 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | F906 C1001 | F906-T1003 HydrophobicContact CD1-CG2 3.91Å; F906-T1003 HydrophobicContact CD2-CG2 4.13Å; F906-T1003 WeakPolarHBondContact CD2-O 3.19Å; F906-T1003 HydrophobicContact CE1-CG2 3.86Å; F906-T1003 HydrophobicContact CE2-CG2 4.08Å; F906-T1003 WeakPolarHBondContact CE2-O 3.23Å; F906-T1003 HydrophobicContact CG-CG2 4.05Å; F906-T1003 HydrophobicContact CZ-CG2 3.96Å; C1001-T1003 VanDerWaalsContact C-N 3.26Å; C1001-T1003 PolarHBondContact O-N 3.27Å; C1001-T1003 PolarHBondContact SG-O 2.69Å | ||
| 1004 | V | 88.9 | Confident | 84.2 | Confident | 22 Ų | 22 | 57.7 Ų | 57.7 | 13% | 0.133 | 30% | 0.302 | C | S | . | . | trans | -129.8 | 157.3 | 178.8 | -61.8 | 0 | 0 | 0 | 0 | 111.3 | V908 I992 P993 F995 C1001 | V908-V1004 HydrophobicContact CG1-CG1 4.29Å; V908-V1004 HydrophobicContact CG2-CB 4.26Å; V908-V1004 HydrophobicContact CG2-CG1 3.93Å; I992-V1004 HydrophobicContact CG2-CG2 4.09Å; P993-V1004 HydrophobicContact CG-CG2 4.11Å; P993-V1004 VanDerWaalsContact O-CG2 3.24Å; P993-V1004 WeakPolarHBondContact O-CG2 3.44Å; F995-V1004 HydrophobicContact CD2-CG1 4.25Å; F995-V1004 HydrophobicContact CE2-CB 4.25Å; F995-V1004 HydrophobicContact CE2-CG1 4.18Å; C1001-V1004 HydrophobicContact CB-CG1 4.25Å | ||
| 1005 | P | 89.9 | Confident | 83.8 | Confident | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.013 | 31% | 0.309 | C | S | . | . | trans | -62.9 | 138.6 | 169.7 | -17.1 | 33 | 0 | 0 | 0 | 109.8 | F906 Y913 D917 F919 | F906-P1005 HydrophobicContact CE2-CG 4.14Å; F906-P1005 HydrophobicContact CZ-CG 4.39Å; Y913-P1005 HydrophobicContact CD1-CB 4.46Å; Y913-P1005 HydrophobicContact CD1-CG 3.44Å; Y913-P1005 VanDerWaalsContact CD1-CG 3.44Å; Y913-P1005 HydrophobicContact CD2-CG 3.91Å; Y913-P1005 HydrophobicContact CE1-CG 3.84Å; Y913-P1005 HydrophobicContact CE2-CG 4.28Å; Y913-P1005 HydrophobicContact CG-CG 3.47Å; Y913-P1005 VanDerWaalsContact CG-CG 3.47Å; D917-P1005 WeakPolarHBondContact O-CB 3.48Å; F919-P1005 HydrophobicContact CD2-CB 4.1Å; F919-P1005 HydrophobicContact CE1-CB 4.5Å; F919-P1005 HydrophobicContact CE2-CB 3.67Å; F919-P1005 HydrophobicContact CE2-CG 3.93Å; F919-P1005 HydrophobicContact CZ-CB 3.9Å; F919-P1005 HydrophobicContact CZ-CG 3.78Å | ||
| 1006 | T | 91.6 | Very high | 83.5 | Confident | 44 Ų | 44 | 62.9 Ų | 62.9 | 27% | 0.27 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 149.7 | 177.1 | 59.6 | 0 | 0 | 0 | 0 | 110.7 | D918 F919 | D918-T1006 CarbonylContact C-O 3.59Å; D918-T1006 WeakPolarHBondContact CA-O 3.37Å; D918-T1006 WeakPolarHBondContact CB-O 3.19Å; F919-T1006 PolarHBondContact N-O 2.92Å |
| 1007 | I | 93.8 | Very high | 83.4 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 114.9 | 166.5 | -59.8 | 167.8 | 0 | 0 | 0 | 107.5 | F919 V921 L936 V940 I948 L991 P993 Y1009 | F919-I1007 HydrophobicContact CB-CB 4.47Å; F919-I1007 HydrophobicContact CB-CG1 4.04Å; F919-I1007 HydrophobicContact CD2-CG1 3.94Å; F919-I1007 HydrophobicContact CG-CG1 4.46Å; F919-I1007 CarbonylContact O-C 3.49Å; F919-I1007 WeakPolarHBondContact O-CA 3.34Å; V921-I1007 HydrophobicContact CB-CG2 4.36Å; V921-I1007 HydrophobicContact CG2-CG2 3.82Å; L936-I1007 HydrophobicContact CD1-CG2 4.18Å; V940-I1007 HydrophobicContact CG2-CD1 4.17Å; I948-I1007 HydrophobicContact CD1-CD1 3.9Å; L991-I1007 HydrophobicContact CB-CB 4.14Å; L991-I1007 HydrophobicContact CD1-CG2 4.47Å; L991-I1007 PolarHBondContact N-O 3.44Å; L991-I1007 PolarHBondContact O-N 3.12Å; P993-I1007 HydrophobicContact CB-CD1 3.89Å; P993-I1007 HydrophobicContact CB-CG1 4.48Å; P993-I1007 HydrophobicContact CG-CD1 3.99Å; P993-I1007 HydrophobicContact CG-CG1 4.02Å; I1007-Y1009 PolarHBondContact O-N 2.95Å |
| 1008 | R | 91.4 | Very high | 83.4 | Confident | 14 Ų | 14 | 59.8 Ų | 59.8 | 5% | 0.053 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 94.5 | 171.2 | -69.1 | -167 | -59.5 | 175.4 | -4 | 108.8 | Q544 D918 F919 L920 V921 M988 | Q544-R1008 PolarHBondContact O-NH1 3.09Å; D918-R1008 HydrophobicContact CB-CG 4.2Å; D918-R1008 IonicContact OD1-CZ 2.98Å; D918-R1008 VanDerWaalsContact OD1-CZ 3.23Å; D918-R1008 IonicContact OD1-NE 2.63Å; D918-R1008 PolarHBondContact OD1-NE 2.85Å; D918-R1008 IonicContact OD1-NH2 2.68Å; D918-R1008 PolarHBondContact OD1-NH2 3.41Å; D918-R1008 IonicContact OD2-CZ 2.72Å; D918-R1008 IonicContact OD2-NE 3.48Å; D918-R1008 PolarHBondContact OD2-NE 2.92Å; D918-R1008 IonicContact OD2-NH1 3.83Å; D918-R1008 IonicContact OD2-NH2 3.6Å; D918-R1008 PolarHBondContact OD2-NH2 2.76Å; F919-R1008 PolarHBondContact O-N 2.61Å; L920-R1008 HydrophobicContact CD1-CB 4.13Å; V921-R1008 PolarHBondContact N-O 3.34Å; M988-R1008 HydrophobicContact CE-CG 4.24Å; M988-R1008 HydrophobicContact CG-CB 4.26Å; M988-R1008 HydrophobicContact SD-CB 4.11Å; M988-R1008 HydrophobicContact SD-CG 4.13Å |
| 1009 | Y | 93.1 | Very high | 83.6 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 108 | -177.8 | -174.7 | -92.7 | 0 | 0 | 0 | 110.7 | V921 G923 E930 M931 L936 V970 M988 L989 L991 I1007 L1011 | V921-Y1009 HydrophobicContact CB-CD2 4.23Å; V921-Y1009 HydrophobicContact CG1-CD2 3.98Å; V921-Y1009 HydrophobicContact CG1-CE2 4.26Å; G923-Y1009 VanDerWaalsContact CA-CE2 3.46Å; G923-Y1009 VanDerWaalsContact CA-OH 3.31Å; G923-Y1009 WeakPolarHBondContact CA-OH 2.99Å; G923-Y1009 PolarHBondContact O-OH 2.82Å; E930-Y1009 VanDerWaalsContact CG-OH 3.23Å; E930-Y1009 WeakPolarHBondContact CG-OH 3.47Å; M931-Y1009 HydrophobicContact CB-CE2 4.34Å; M931-Y1009 PolarHBondContact O-OH 3.27Å; L936-Y1009 HydrophobicContact CD1-CD2 4.07Å; L936-Y1009 HydrophobicContact CD1-CE2 4.38Å; L936-Y1009 HydrophobicContact CD2-CD2 4.44Å; V970-Y1009 HydrophobicContact CB-CD1 4.36Å; V970-Y1009 HydrophobicContact CB-CE1 3.74Å; V970-Y1009 HydrophobicContact CB-CE2 4.21Å; V970-Y1009 HydrophobicContact CG1-CD1 4.03Å; V970-Y1009 HydrophobicContact CG1-CE1 3.92Å; V970-Y1009 HydrophobicContact CG1-CG 4.36Å; V970-Y1009 HydrophobicContact CG2-CE1 4.28Å; V970-Y1009 HydrophobicContact CG2-CE2 3.82Å; M988-Y1009 WeakPolarHBondContact CA-O 3.38Å; L989-Y1009 HydrophobicContact CD1-CD1 4.22Å; L989-Y1009 PolarHBondContact N-O 3Å; L989-Y1009 PolarHBondContact O-N 3.3Å; L991-Y1009 HydrophobicContact CD1-CG 4.42Å; I1007-Y1009 PolarHBondContact O-N 2.95Å; Y1009-L1011 HydrophobicContact CD1-CD2 4.21Å; Y1009-L1011 HydrophobicContact CE1-CD2 3.98Å |
| 1010 | M | 90.4 | Very high | 84.7 | Confident | 9 Ų | 9 | 55.1 Ų | 55.1 | 4% | 0.044 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 123.7 | -179.2 | -59.2 | -55.9 | -60.2 | 0 | 0 | 110.6 | Y516 L920 V921 G923 M988 L1012 | Y516-M1010 HydrophobicContact CD1-CE 3.97Å; Y516-M1010 HydrophobicContact CD2-CE 4.32Å; Y516-M1010 HydrophobicContact CE1-CE 3.39Å; Y516-M1010 HydrophobicContact CE2-CE 3.8Å; Y516-M1010 HydrophobicContact CE2-SD 4.05Å; Y516-M1010 HydrophobicContact CG-CE 4.41Å; L920-M1010 HydrophobicContact CD1-CG 3.9Å; L920-M1010 HydrophobicContact CD1-SD 4.2Å; V921-M1010 PolarHBondContact O-N 3.41Å; G923-M1010 WeakPolarHBondContact CA-O 2.92Å; G923-M1010 PolarHBondContact N-O 2.99Å; M988-M1010 HydrophobicContact CB-CE 4.24Å; M988-M1010 HydrophobicContact CB-SD 3.78Å; M988-M1010 HydrophobicContact CG-SD 3.53Å; M988-M1010 VanDerWaalsContact CG-SD 3.53Å; M1010-L1012 HydrophobicContact CE-CD1 3.57Å; M1010-L1012 HydrophobicContact CE-CG 4Å; M1010-L1012 PolarHBondContact O-N 2.9Å |
| 1011 | L | 85.2 | Confident | 85.8 | Confident | 30 Ų | 30 | 46.8 Ų | 46.8 | 16% | 0.157 | 25% | 0.249 | C | C | . | . | trans | -83.7 | 3.6 | 177.9 | -70.6 | 170.2 | 0 | 0 | 0 | 113.6 | I982 K986 K987 L989 Y1009 | I982-L1011 HydrophobicContact CG2-CD1 4.09Å; K986-L1011 WeakPolarHBondContact O-CD1 3.32Å; K987-L1011 PolarHBondContact O-N 2.83Å; L989-L1011 HydrophobicContact CD1-CD1 4.14Å; L989-L1011 HydrophobicContact CD1-CD2 3.9Å; L989-L1011 HydrophobicContact CD1-CG 4.2Å; L989-L1011 HydrophobicContact CD2-CD1 3.96Å; L989-L1011 HydrophobicContact CG-CD1 3.76Å; L989-L1011 HydrophobicContact CG-CD2 4.28Å; L989-L1011 HydrophobicContact CG-CG 4.01Å; Y1009-L1011 HydrophobicContact CD1-CD2 4.21Å; Y1009-L1011 HydrophobicContact CE1-CD2 3.98Å | ||
| 1012 | L | 70.8 | Confident | 86.6 | Confident | 137 Ų | 137 | 47.9 Ų | 47.9 | 72% | 0.717 | 25% | 0.251 | S | S | * | . | trans | -59.4 | 0 | -170.7 | -68.9 | 173.2 | 0 | 0 | 0 | 113.4 | R924 K987 M1010 | R924-L1012 VanDerWaalsContact CB-O 3.25Å; R924-L1012 WeakPolarHBondContact CB-O 3.47Å; R924-L1012 WeakPolarHBondContact CD-O 3.42Å; R924-L1012 WeakPolarHBondContact CG-O 3.17Å; K987-L1012 HydrophobicContact CB-CD2 4.22Å; K987-L1012 HydrophobicContact CD-CD2 4.28Å; K987-L1012 HydrophobicContact CG-CD2 4.39Å; M1010-L1012 HydrophobicContact CE-CD1 3.57Å; M1010-L1012 HydrophobicContact CE-CG 4Å; M1010-L1012 PolarHBondContact O-N 2.9Å |
Retrieved 1,012 of 1,012 residues in 256.5 ms
(Link to these results)