| 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 | 32.9 | Very low | 66.9 | Low | 239 Ų | 239 | 116.1 Ų | 116.1 | 100% | 1.177 | 59% | 0.593 | S | S | * | * | 0 | 98.4 | 0 | -72.9 | 177.1 | -159.2 | 0 | 0 | 106.2 | T3 | M1-T3 PolarHBondContact O-N 2.76Š| |||
| 2 | E | 35.8 | Very low | 69.4 | Low | 197 Ų | 197 | 106.4 Ų | 106.4 | 92% | 0.921 | 54% | 0.544 | S | S | * | . | trans | -70 | 107.2 | 171.5 | -79.4 | 172.4 | 149.3 | 0 | 0 | 107.1 | S4 | E2-S4 PolarHBondContact O-N 2.65Å; E2-S4 VanDerWaalsContact O-N 3.1Å | ||
| 3 | T | 40.2 | Very low | 71.6 | Confident | 131 Ų | 131 | 99.6 Ų | 99.6 | 80% | 0.804 | 52% | 0.516 | S | S | * | . | trans | -61.7 | 110.6 | 165.2 | 42 | 0 | 0 | 0 | 0 | 106.7 | M1 M5 | M1-T3 PolarHBondContact O-N 2.76Å; T3-M5 PolarHBondContact O-N 3.43Å; T3-M5 VanDerWaalsContact O-N 3.08Å | ||
| 4 | S | 50.3 | Low | 73.5 | Confident | 114 Ų | 114 | 100.9 Ų | 100.9 | 80% | 0.797 | 52% | 0.524 | S | S | * | . | P | Polyproline II helix | trans | -52.2 | 117 | 174.8 | 52.7 | 0 | 0 | 0 | 0 | 108.4 | E2 | E2-S4 PolarHBondContact O-N 2.65Å; E2-S4 VanDerWaalsContact O-N 3.1Å |
| 5 | M | 55 | Low | 75.1 | Confident | 122 Ų | 122 | 96.7 Ų | 96.7 | 60% | 0.601 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 135.1 | 174.3 | -63 | -171.5 | -51.2 | 0 | 0 | 108.3 | T3 N151 | T3-M5 PolarHBondContact O-N 3.43Å; T3-M5 VanDerWaalsContact O-N 3.08Å; M5-N151 HydrophobicContact CE-CB 3.48Å; M5-N151 VanDerWaalsContact CE-CB 3.48Å; M5-N151 HydrophobicContact SD-CB 3.46Å; M5-N151 WeakPolarHBondContact SD-CB 3.39Å |
| 6 | P | 62.2 | Low | 76.4 | Confident | 51 Ų | 51 | 98.3 Ų | 98.3 | 33% | 0.331 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 143.8 | -179.6 | 25.7 | -32.8 | 0 | 0 | 0 | 110.4 | V11 | P6-V11 HydrophobicContact CB-CG2 3.65Å; P6-V11 HydrophobicContact CG-CG2 3.62Å |
| 7 | E | 84.5 | Confident | 77.6 | Confident | 142 Ų | 142 | 95.7 Ų | 95.7 | 66% | 0.664 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 150.6 | 175.9 | -64.1 | -167.7 | 168.9 | 0 | 0 | 110.3 | Y9 E10 V11 | E7-Y9 PolarHBondContact O-N 3.01Å; E7-Y9 VanDerWaalsContact O-N 3.1Å; E7-E10 HydrophobicContact CB-CB 4.49Å; E7-E10 HydrophobicContact CB-CG 3.94Å; E7-E10 PolarHBondContact N-OE2 2.86Å; E7-E10 WeakPolarHBondContact O-CB 3.46Å; E7-E10 PolarHBondContact O-N 3.49Å; E7-V11 PolarHBondContact O-N 3Å |
| 8 | Y | 91.6 | Very high | 78.8 | Confident | 27 Ų | 27 | 90.9 Ų | 90.9 | 11% | 0.106 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -53.1 | -41.2 | -171.4 | -165.3 | -92.2 | 0 | 0 | 0 | 113.5 | F12 L19 F143 P150 K161 Q166 V167 | Y8-F12 HydrophobicContact CD1-CD2 4.07Å; Y8-F12 HydrophobicContact CD2-CD2 4.32Å; Y8-F12 HydrophobicContact CD2-CE2 4.37Å; Y8-F12 AromaticContact CE1-CD2 3.78Å; Y8-F12 HydrophobicContact CE1-CD2 3.78Å; Y8-F12 HydrophobicContact CE1-CE2 4.48Å; Y8-F12 HydrophobicContact CE2-CD2 4.05Å; Y8-F12 AromaticContact CE2-CE2 3.95Å; Y8-F12 HydrophobicContact CE2-CE2 3.95Å; Y8-F12 HydrophobicContact CG-CD2 4.3Å; Y8-F12 AromaticContact CZ-CD2 3.72Å; Y8-F12 AromaticContact CZ-CE2 3.97Å; Y8-F12 VanDerWaalsContact O-CD2 3.29Å; Y8-F12 WeakPolarHBondContact O-CD2 3.36Å; Y8-F12 PolarHBondContact O-N 3.19Å; Y8-F12 VanDerWaalsContact O-N 3.13Å; Y8-L19 HydrophobicContact CE1-CD2 3.72Å; Y8-F143 AromaticContact CE2-CE1 3.8Å; Y8-F143 HydrophobicContact CE2-CE1 3.8Å; Y8-F143 HydrophobicContact CE2-CZ 4.41Å; Y8-P150 HydrophobicContact CD2-CB 4.14Å; Y8-P150 HydrophobicContact CD2-CG 3.42Å; Y8-P150 VanDerWaalsContact CD2-CG 3.42Å; Y8-P150 HydrophobicContact CE2-CG 3.91Å; Y8-P150 HydrophobicContact CG-CG 4.15Å; Y8-K161 HydrophobicContact CD2-CD 4.39Å; Y8-K161 HydrophobicContact CE1-CD 4.42Å; Y8-K161 HydrophobicContact CE2-CD 3.93Å; Y8-Q166 WeakPolarHBondContact CE1-O 3.31Å; Y8-Q166 PolarHBondContact OH-O 2.75Å; Y8-V167 WeakPolarHBondContact OH-CA 3.34Å |
| 9 | Y | 93.1 | Very high | 79.8 | Confident | 120 Ų | 120 | 87.1 Ų | 87.1 | 47% | 0.471 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -91.5 | 0.5 | -179.8 | -59.4 | -70.2 | 0 | 0 | 0 | 113.9 | E7 F12 L19 K22 Q166 | E7-Y9 PolarHBondContact O-N 3.01Å; E7-Y9 VanDerWaalsContact O-N 3.1Å; Y9-F12 CarbonylContact C-O 3.55Å; Y9-F12 WeakPolarHBondContact CA-O 3.18Å; Y9-F12 VanDerWaalsContact O-O 3.07Å; Y9-L19 HydrophobicContact CD1-CD1 4.46Å; Y9-L19 HydrophobicContact CE1-CD1 4.34Å; Y9-K22 WeakPolarHBondContact O-CE 3.37Å; Y9-K22 PolarHBondContact O-NZ 3.43Å; Y9-Q166 PolarHBondContact OH-OE1 3.02Å; Y9-Q166 VanDerWaalsContact OH-OE1 3.07Å |
| 10 | E | 94 | Very high | 80.7 | Confident | 114 Ų | 114 | 82.8 Ų | 82.8 | 53% | 0.533 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -74.8 | -39.6 | 164.3 | -71 | 176.8 | 159.3 | 0 | 0 | 109.9 | E7 K22 | E7-E10 HydrophobicContact CB-CB 4.49Å; E7-E10 HydrophobicContact CB-CG 3.94Å; E7-E10 PolarHBondContact N-OE2 2.86Å; E7-E10 WeakPolarHBondContact O-CB 3.46Å; E7-E10 PolarHBondContact O-N 3.49Å; E10-K22 WeakPolarHBondContact O-CD 3.25Å; E10-K22 WeakPolarHBondContact O-CE 3.46Å; E10-K22 PolarHBondContact O-NZ 3.33Å |
| 11 | V | 96.1 | Very high | 81.5 | Confident | 20 Ų | 20 | 79.2 Ų | 79.2 | 12% | 0.121 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -81.4 | -44.6 | 178.9 | -173.5 | 0 | 0 | 0 | 0 | 112.2 | P6 E7 K22 | P6-V11 HydrophobicContact CB-CG2 3.65Å; P6-V11 HydrophobicContact CG-CG2 3.62Å; E7-V11 PolarHBondContact O-N 3Å; V11-K22 WeakPolarHBondContact O-CG 3.22Å; V11-K22 PolarHBondContact O-N 2.97Å; V11-K22 VanDerWaalsContact O-N 3.1Å |
| 12 | F | 97.4 | Very high | 84.5 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 148.5 | -175.4 | -51.2 | -56.9 | 0 | 0 | 0 | 112.3 | Y8 Y9 L19 M20 D21 K22 F143 Y149 P150 P168 | Y8-F12 HydrophobicContact CD1-CD2 4.07Å; Y8-F12 HydrophobicContact CD2-CD2 4.32Å; Y8-F12 HydrophobicContact CD2-CE2 4.37Å; Y8-F12 AromaticContact CE1-CD2 3.78Å; Y8-F12 HydrophobicContact CE1-CD2 3.78Å; Y8-F12 HydrophobicContact CE1-CE2 4.48Å; Y8-F12 HydrophobicContact CE2-CD2 4.05Å; Y8-F12 AromaticContact CE2-CE2 3.95Å; Y8-F12 HydrophobicContact CE2-CE2 3.95Å; Y8-F12 HydrophobicContact CG-CD2 4.3Å; Y8-F12 AromaticContact CZ-CD2 3.72Å; Y8-F12 AromaticContact CZ-CE2 3.97Å; Y8-F12 VanDerWaalsContact O-CD2 3.29Å; Y8-F12 WeakPolarHBondContact O-CD2 3.36Å; Y8-F12 PolarHBondContact O-N 3.19Å; Y8-F12 VanDerWaalsContact O-N 3.13Å; Y9-F12 CarbonylContact C-O 3.55Å; Y9-F12 WeakPolarHBondContact CA-O 3.18Å; Y9-F12 VanDerWaalsContact O-O 3.07Å; F12-L19 HydrophobicContact CB-CD1 4.01Å; F12-L19 HydrophobicContact CB-CD2 3.94Å; F12-L19 HydrophobicContact CB-CG 3.88Å; F12-L19 HydrophobicContact CG-CD2 4.46Å; F12-M20 CarbonylContact C-O 3.56Å; F12-M20 VanDerWaalsContact CA-O 3.26Å; F12-M20 WeakPolarHBondContact CA-O 3.42Å; F12-D21 HydrophobicContact CD1-CB 4.3Å; F12-D21 HydrophobicContact CE1-CB 4.35Å; F12-K22 WeakPolarHBondContact O-CE 3.27Å; F12-F143 AromaticContact CE2-CE1 3.7Å; F12-F143 HydrophobicContact CE2-CE1 3.7Å; F12-F143 AromaticContact CE2-CZ 3.91Å; F12-F143 HydrophobicContact CE2-CZ 3.91Å; F12-F143 AromaticContact CZ-CE1 3.98Å; F12-F143 HydrophobicContact CZ-CE1 3.98Å; F12-F143 AromaticContact CZ-CZ 3.97Å; F12-F143 HydrophobicContact CZ-CZ 3.97Å; F12-Y149 HydrophobicContact CE1-CD1 4.09Å; F12-Y149 AromaticContact CE1-CE1 3.77Å; F12-Y149 HydrophobicContact CE1-CE1 3.77Å; F12-Y149 HydrophobicContact CE1-CE2 4.32Å; F12-Y149 HydrophobicContact CE1-CG 4.5Å; F12-Y149 AromaticContact CE1-CZ 3.9Å; F12-Y149 AromaticContact CZ-CD1 3.79Å; F12-Y149 HydrophobicContact CZ-CD1 3.79Å; F12-Y149 AromaticContact CZ-CD2 3.89Å; F12-Y149 HydrophobicContact CZ-CD2 3.89Å; F12-Y149 AromaticContact CZ-CE1 3.89Å; F12-Y149 HydrophobicContact CZ-CE1 3.89Å; F12-Y149 AromaticContact CZ-CE2 3.99Å; F12-Y149 HydrophobicContact CZ-CE2 3.99Å; F12-Y149 AromaticContact CZ-CG 3.79Å; F12-Y149 HydrophobicContact CZ-CG 3.79Å; F12-Y149 AromaticContact CZ-CZ 3.99Å; F12-P150 HydrophobicContact CD2-CG 4.23Å; F12-P150 VanDerWaalsContact CE2-CD 3.4Å; F12-P150 HydrophobicContact CE2-CG 3.53Å; F12-P150 HydrophobicContact CZ-CG 4.35Å; F12-P168 HydrophobicContact CD1-CG 3.69Å; F12-P168 HydrophobicContact CD2-CG 4.46Å; F12-P168 HydrophobicContact CE1-CB 4.41Å; F12-P168 HydrophobicContact CE1-CG 3.4Å; F12-P168 HydrophobicContact CE2-CG 4.18Å; F12-P168 HydrophobicContact CG-CG 4.24Å; F12-P168 HydrophobicContact CZ-CG 3.66Å |
| 13 | G | 97.4 | Very high | 87.3 | Confident | 18 Ų | 18 | 65.8 Ų | 65.8 | 19% | 0.186 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 154.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | M20 | G13-M20 PolarHBondContact N-O 3.36Å; G13-M20 PolarHBondContact O-N 3.33Å |
| 14 | D | 97.9 | Very high | 90 | Very high | 118 Ų | 118 | 60.4 Ų | 60.4 | 63% | 0.631 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 134 | 170 | -175.3 | -95.6 | 0 | 0 | 0 | 110 | G17 V18 | D14-G17 PolarHBondContact OD1-N 2.92Å; D14-G17 VanDerWaalsContact OD1-N 3.12Å; D14-G17 WeakPolarHBondContact OD2-CA 3.4Å; D14-G17 PolarHBondContact OD2-N 3.34Å; D14-V18 PolarHBondContact OD2-N 2.68Å |
| 15 | F | 97.9 | Very high | 92.2 | Very high | 38 Ų | 38 | 56.5 Ų | 56.5 | 17% | 0.167 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -139.7 | 103 | 176.2 | -171.3 | -101.2 | 0 | 0 | 0 | 109.3 | G17 V18 M20 T25 W28 L113 | F15-G17 VanDerWaalsContact C-N 3.29Å; F15-G17 PolarHBondContact O-N 3Å; F15-V18 PolarHBondContact N-O 3.1Å; F15-V18 PolarHBondContact O-N 3.46Å; F15-V18 VanDerWaalsContact O-N 3.16Å; F15-M20 HydrophobicContact CB-CB 4.14Å; F15-M20 HydrophobicContact CB-CG 3.96Å; F15-T25 HydrophobicContact CB-CG2 3.79Å; F15-T25 HydrophobicContact CD1-CG2 3.84Å; F15-T25 HydrophobicContact CD2-CG2 3.72Å; F15-T25 HydrophobicContact CE1-CG2 4.39Å; F15-T25 HydrophobicContact CE2-CG2 4.3Å; F15-T25 HydrophobicContact CG-CG2 3.48Å; F15-T25 VanDerWaalsContact CG-CG2 3.48Å; F15-W28 HydrophobicContact CD1-CD2 4.46Å; F15-W28 AromaticContact CE1-CD1 3.77Å; F15-W28 AromaticContact CE1-CD2 3.44Å; F15-W28 HydrophobicContact CE1-CD2 3.44Å; F15-W28 VanDerWaalsContact CE1-CD2 3.44Å; F15-W28 AromaticContact CE1-CE2 3.39Å; F15-W28 HydrophobicContact CE1-CE3 4.03Å; F15-W28 AromaticContact CE1-CG 3.68Å; F15-W28 HydrophobicContact CE1-CG 3.68Å; F15-W28 HydrophobicContact CE1-CH2 4.45Å; F15-W28 AromaticContact CE1-CZ2 3.93Å; F15-W28 HydrophobicContact CE1-CZ2 3.93Å; F15-W28 HydrophobicContact CE1-CZ3 4.5Å; F15-W28 AromaticContact CE1-NE1 3.56Å; F15-W28 HydrophobicContact CE2-CB 4.41Å; F15-W28 HydrophobicContact CE2-CG 4.26Å; F15-W28 HydrophobicContact CZ-CB 3.88Å; F15-W28 AromaticContact CZ-CD1 3.34Å; F15-W28 AromaticContact CZ-CD2 3.63Å; F15-W28 HydrophobicContact CZ-CD2 3.63Å; F15-W28 AromaticContact CZ-CE2 3.84Å; F15-W28 HydrophobicContact CZ-CE3 4.46Å; F15-W28 AromaticContact CZ-CG 3.3Å; F15-W28 HydrophobicContact CZ-CG 3.3Å; F15-W28 AromaticContact CZ-NE1 3.62Å; F15-L113 HydrophobicContact CD1-CD1 4.43Å |
| 16 | H | 96.6 | Very high | 94.2 | Very high | 122 Ų | 122 | 57 Ų | 57 | 57% | 0.565 | 29% | 0.29 | S | S | * | . | S | Bend | trans | 52.9 | 42.3 | -173.8 | -55.6 | -61.3 | 0 | 0 | 0 | 113.5 | K112 L113 | H16-K112 PolarHBondContact O-NZ 3.36Å; H16-L113 HydrophobicContact CB-CD2 4.06Å |
| 17 | G | 96.8 | Very high | 95.7 | Very high | 54 Ų | 54 | 58.6 Ų | 58.6 | 56% | 0.557 | 29% | 0.291 | S | S | * | . | S | Bend | trans | 72.2 | 29.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | D14 F15 K112 | D14-G17 PolarHBondContact OD1-N 2.92Å; D14-G17 VanDerWaalsContact OD1-N 3.12Å; D14-G17 WeakPolarHBondContact OD2-CA 3.4Å; D14-G17 PolarHBondContact OD2-N 3.34Å; F15-G17 VanDerWaalsContact C-N 3.29Å; F15-G17 PolarHBondContact O-N 3Å; G17-K112 PolarHBondContact O-NZ 2.7Å |
| 18 | V | 98.4 | Very high | 96.4 | Very high | 9 Ų | 9 | 52.8 Ų | 52.8 | 6% | 0.055 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -136.9 | 125.8 | 174.1 | -174.6 | 0 | 0 | 0 | 0 | 107.1 | D14 F15 M20 P110 L113 Y169 | D14-V18 PolarHBondContact OD2-N 2.68Å; F15-V18 PolarHBondContact N-O 3.1Å; F15-V18 PolarHBondContact O-N 3.46Å; F15-V18 VanDerWaalsContact O-N 3.16Å; V18-M20 HydrophobicContact CB-CG 4.42Å; V18-M20 HydrophobicContact CG1-CG 4.19Å; V18-M20 HydrophobicContact CG1-SD 3.98Å; V18-M20 PolarHBondContact O-N 2.98Å; V18-P110 HydrophobicContact CG1-CG 4.45Å; V18-P110 HydrophobicContact CG2-CG 4.05Å; V18-L113 HydrophobicContact CB-CD1 4.12Å; V18-L113 HydrophobicContact CG1-CD1 4.46Å; V18-L113 HydrophobicContact CG2-CD1 3.91Å; V18-Y169 VanDerWaalsContact CG1-C 3.46Å |
| 19 | L | 98.4 | Very high | 96.6 | Very high | 19 Ų | 19 | 58.5 Ų | 58.5 | 10% | 0.099 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 124.1 | 173.8 | -167.3 | 77.6 | 0 | 0 | 0 | 109.2 | Y8 Y9 F12 Q166 P168 Y169 | Y8-L19 HydrophobicContact CE1-CD2 3.72Å; Y9-L19 HydrophobicContact CD1-CD1 4.46Å; Y9-L19 HydrophobicContact CE1-CD1 4.34Å; F12-L19 HydrophobicContact CB-CD1 4.01Å; F12-L19 HydrophobicContact CB-CD2 3.94Å; F12-L19 HydrophobicContact CB-CG 3.88Å; F12-L19 HydrophobicContact CG-CD2 4.46Å; L19-Q166 VanDerWaalsContact CD2-C 3.45Å; L19-P168 CarbonylContact O-C 3.56Å; L19-P168 VanDerWaalsContact O-CA 3.28Å; L19-P168 WeakPolarHBondContact O-CA 3.26Å; L19-Y169 PolarHBondContact O-N 3.47Å |
| 20 | M | 98.4 | Very high | 96.9 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 157.1 | -175.9 | -68.1 | -66.4 | -72.5 | 0 | 0 | 111.1 | F12 G13 F15 V18 K22 T25 W28 L109 Y169 | F12-M20 CarbonylContact C-O 3.56Å; F12-M20 VanDerWaalsContact CA-O 3.26Å; F12-M20 WeakPolarHBondContact CA-O 3.42Å; G13-M20 PolarHBondContact N-O 3.36Å; G13-M20 PolarHBondContact O-N 3.33Å; F15-M20 HydrophobicContact CB-CB 4.14Å; F15-M20 HydrophobicContact CB-CG 3.96Å; V18-M20 HydrophobicContact CB-CG 4.42Å; V18-M20 HydrophobicContact CG1-CG 4.19Å; V18-M20 HydrophobicContact CG1-SD 3.98Å; V18-M20 PolarHBondContact O-N 2.98Å; M20-K22 PolarHBondContact O-N 3.43Å; M20-T25 HydrophobicContact CB-CG2 3.58Å; M20-T25 HydrophobicContact CG-CG2 4.16Å; M20-W28 HydrophobicContact CE-CZ3 4.34Å; M20-L109 HydrophobicContact CE-CD2 3.81Å; M20-Y169 HydrophobicContact CE-CD1 4.18Å; M20-Y169 HydrophobicContact CE-CE1 3.67Å; M20-Y169 HydrophobicContact SD-CD1 3.83Å; M20-Y169 HydrophobicContact SD-CE1 3.93Å; M20-Y169 HydrophobicContact SD-CG 4.42Å |
| 21 | D | 97.1 | Very high | 97.1 | Very high | 8 Ų | 8 | 50.3 Ų | 50.3 | 4% | 0.043 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 124.1 | 166.1 | -168.7 | -40.8 | 0 | 0 | 0 | 109.5 | F12 L23 F24 T25 Y149 | F12-D21 HydrophobicContact CD1-CB 4.3Å; F12-D21 HydrophobicContact CE1-CB 4.35Å; D21-L23 PolarHBondContact O-N 3.38Å; D21-L23 WeakPolarHBondContact OD1-CB 3.49Å; D21-L23 PolarHBondContact OD1-N 3.36Å; D21-F24 HydrophobicContact CB-CD1 4.46Å; D21-F24 HydrophobicContact CB-CD2 3.92Å; D21-F24 HydrophobicContact CB-CE2 4.18Å; D21-F24 HydrophobicContact CB-CG 4.06Å; D21-F24 WeakPolarHBondContact O-CB 3.46Å; D21-F24 PolarHBondContact O-N 2.95Å; D21-T25 PolarHBondContact O-N 3.01Å; D21-Y149 WeakPolarHBondContact OD2-CE1 3.37Å |
| 22 | K | 96.3 | Very high | 97.2 | Very high | 91 Ų | 91 | 55.1 Ų | 55.1 | 40% | 0.396 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.5 | -26 | -177.4 | -70.1 | -177.9 | -169.2 | 167.3 | 0 | 112.5 | Y9 E10 V11 F12 M20 F24 T25 K26 | Y9-K22 WeakPolarHBondContact O-CE 3.37Å; Y9-K22 PolarHBondContact O-NZ 3.43Å; E10-K22 WeakPolarHBondContact O-CD 3.25Å; E10-K22 WeakPolarHBondContact O-CE 3.46Å; E10-K22 PolarHBondContact O-NZ 3.33Å; V11-K22 WeakPolarHBondContact O-CG 3.22Å; V11-K22 PolarHBondContact O-N 2.97Å; V11-K22 VanDerWaalsContact O-N 3.1Å; F12-K22 WeakPolarHBondContact O-CE 3.27Å; M20-K22 PolarHBondContact O-N 3.43Å; K22-F24 VanDerWaalsContact C-N 3.26Å; K22-F24 PolarHBondContact O-N 3.47Å; K22-T25 PolarHBondContact O-N 3.02Å; K22-T25 PolarHBondContact O-OG1 3.1Å; K22-K26 WeakPolarHBondContact O-CB 3.37Å; K22-K26 PolarHBondContact O-N 2.85Å |
| 23 | L | 94.7 | Very high | 97.2 | Very high | 63 Ų | 63 | 59.5 Ų | 59.5 | 33% | 0.33 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.9 | -33.4 | 174.4 | -65.8 | 178.1 | 0 | 0 | 0 | 111.8 | D21 | D21-L23 PolarHBondContact O-N 3.38Å; D21-L23 WeakPolarHBondContact OD1-CB 3.49Å; D21-L23 PolarHBondContact OD1-N 3.36Å |
| 24 | F | 96.3 | Very high | 97.3 | Very high | 18 Ų | 18 | 58.8 Ų | 58.8 | 8% | 0.079 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -79.6 | -30.9 | -179.4 | -60.5 | -6.1 | 0 | 0 | 0 | 111.6 | D21 K22 E83 C84 R85 Y169 | D21-F24 HydrophobicContact CB-CD1 4.46Å; D21-F24 HydrophobicContact CB-CD2 3.92Å; D21-F24 HydrophobicContact CB-CE2 4.18Å; D21-F24 HydrophobicContact CB-CG 4.06Å; D21-F24 WeakPolarHBondContact O-CB 3.46Å; D21-F24 PolarHBondContact O-N 2.95Å; K22-F24 VanDerWaalsContact C-N 3.26Å; K22-F24 PolarHBondContact O-N 3.47Å; F24-E83 WeakPolarHBondContact CB-O 3.34Å; F24-E83 HydrophobicContact CD2-CG 4.47Å; F24-E83 WeakPolarHBondContact CG-O 3.36Å; F24-C84 HydrophobicContact CE1-CB 4.44Å; F24-C84 HydrophobicContact CZ-CB 4.4Å; F24-R85 WeakPolarHBondContact CD1-O 3.36Å; F24-R85 WeakPolarHBondContact CE1-O 3.28Å; F24-Y169 WeakPolarHBondContact CD2-OH 3.38Å; F24-Y169 WeakPolarHBondContact CE2-OH 3.26Å |
| 25 | T | 96.9 | Very high | 97.3 | Very high | 31 Ų | 31 | 57.3 Ų | 57.3 | 19% | 0.19 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -87.2 | -16.5 | 179.2 | 61.2 | 0 | 0 | 0 | 0 | 113.4 | F15 M20 D21 K22 Y27 W28 | F15-T25 HydrophobicContact CB-CG2 3.79Å; F15-T25 HydrophobicContact CD1-CG2 3.84Å; F15-T25 HydrophobicContact CD2-CG2 3.72Å; F15-T25 HydrophobicContact CE1-CG2 4.39Å; F15-T25 HydrophobicContact CE2-CG2 4.3Å; F15-T25 HydrophobicContact CG-CG2 3.48Å; F15-T25 VanDerWaalsContact CG-CG2 3.48Å; M20-T25 HydrophobicContact CB-CG2 3.58Å; M20-T25 HydrophobicContact CG-CG2 4.16Å; D21-T25 PolarHBondContact O-N 3.01Å; K22-T25 PolarHBondContact O-N 3.02Å; K22-T25 PolarHBondContact O-OG1 3.1Å; T25-Y27 PolarHBondContact O-N 3.01Å; T25-W28 WeakPolarHBondContact O-CB 3.24Å; T25-W28 PolarHBondContact O-N 3.41Å |
| 26 | K | 95.9 | Very high | 97.3 | Very high | 132 Ų | 132 | 55.7 Ų | 55.7 | 57% | 0.574 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -35.2 | 178.2 | -178.1 | 177.7 | 177 | -168.7 | 0 | 113.1 | K22 | K22-K26 WeakPolarHBondContact O-CB 3.37Å; K22-K26 PolarHBondContact O-N 2.85Å |
| 27 | Y | 94.4 | Very high | 97.4 | Very high | 86 Ų | 86 | 53.1 Ų | 53.1 | 34% | 0.337 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | 34.8 | -180 | -56.7 | -81.7 | 0 | 0 | 0 | 111.2 | T25 E29 D30 R85 | T25-Y27 PolarHBondContact O-N 3.01Å; Y27-E29 PolarHBondContact O-N 2.94Å; Y27-D30 WeakPolarHBondContact O-CB 3.1Å; Y27-D30 PolarHBondContact O-N 3.15Å; Y27-D30 VanDerWaalsContact O-N 3.08Å; Y27-R85 HydrophobicContact CD2-CG 3.77Å; Y27-R85 HydrophobicContact CE2-CG 4.28Å |
| 28 | W | 97.8 | Very high | 97.5 | Very high | 20 Ų | 20 | 54.7 Ų | 54.7 | 8% | 0.076 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.5 | -29.8 | -171.8 | -171.8 | -99.4 | 0 | 0 | 0 | 113.9 | F15 M20 T25 D30 V31 E32 E83 L109 L113 | F15-W28 HydrophobicContact CD1-CD2 4.46Å; F15-W28 AromaticContact CE1-CD1 3.77Å; F15-W28 AromaticContact CE1-CD2 3.44Å; F15-W28 HydrophobicContact CE1-CD2 3.44Å; F15-W28 VanDerWaalsContact CE1-CD2 3.44Å; F15-W28 AromaticContact CE1-CE2 3.39Å; F15-W28 HydrophobicContact CE1-CE3 4.03Å; F15-W28 AromaticContact CE1-CG 3.68Å; F15-W28 HydrophobicContact CE1-CG 3.68Å; F15-W28 HydrophobicContact CE1-CH2 4.45Å; F15-W28 AromaticContact CE1-CZ2 3.93Å; F15-W28 HydrophobicContact CE1-CZ2 3.93Å; F15-W28 HydrophobicContact CE1-CZ3 4.5Å; F15-W28 AromaticContact CE1-NE1 3.56Å; F15-W28 HydrophobicContact CE2-CB 4.41Å; F15-W28 HydrophobicContact CE2-CG 4.26Å; F15-W28 HydrophobicContact CZ-CB 3.88Å; F15-W28 AromaticContact CZ-CD1 3.34Å; F15-W28 AromaticContact CZ-CD2 3.63Å; F15-W28 HydrophobicContact CZ-CD2 3.63Å; F15-W28 AromaticContact CZ-CE2 3.84Å; F15-W28 HydrophobicContact CZ-CE3 4.46Å; F15-W28 AromaticContact CZ-CG 3.3Å; F15-W28 HydrophobicContact CZ-CG 3.3Å; F15-W28 AromaticContact CZ-NE1 3.62Å; M20-W28 HydrophobicContact CE-CZ3 4.34Å; T25-W28 WeakPolarHBondContact O-CB 3.24Å; T25-W28 PolarHBondContact O-N 3.41Å; W28-D30 PolarHBondContact O-N 2.86Å; W28-V31 HydrophobicContact CD2-CB 4.29Å; W28-V31 HydrophobicContact CE3-CB 4.14Å; W28-V31 HydrophobicContact CE3-CG1 4.34Å; W28-V31 HydrophobicContact CE3-CG2 4.26Å; W28-V31 HydrophobicContact CH2-CG1 3.94Å; W28-V31 HydrophobicContact CZ2-CG1 4.24Å; W28-V31 HydrophobicContact CZ3-CB 4.29Å; W28-V31 HydrophobicContact CZ3-CG1 3.99Å; W28-V31 HydrophobicContact CZ3-CG2 4.45Å; W28-V31 CarbonylContact O-C 3.59Å; W28-V31 WeakPolarHBondContact O-CA 3.39Å; W28-V31 WeakPolarHBondContact O-CB 3.47Å; W28-V31 PolarHBondContact O-N 2.91Å; W28-E32 PolarHBondContact O-N 3.26Å; W28-E83 HydrophobicContact CZ3-CB 4.28Å; W28-L109 HydrophobicContact CH2-CD1 3.73Å; W28-L109 HydrophobicContact CH2-CD2 3.54Å; W28-L109 HydrophobicContact CH2-CG 4.29Å; W28-L109 HydrophobicContact CZ3-CD1 4.5Å; W28-L109 HydrophobicContact CZ3-CD2 4.05Å; W28-L113 HydrophobicContact CH2-CB 4.25Å; W28-L113 HydrophobicContact CZ2-CB 4.1Å |
| 29 | E | 97.7 | Very high | 97.5 | Very high | 146 Ų | 146 | 57.6 Ų | 57.6 | 68% | 0.682 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -55.2 | -36.1 | 175.8 | -172.6 | 177.1 | -176.3 | 0 | 0 | 112.1 | Y27 V31 E32 T33 | Y27-E29 PolarHBondContact O-N 2.94Å; E29-V31 VanDerWaalsContact C-N 3.28Å; E29-V31 PolarHBondContact O-N 2.75Å; E29-E32 PolarHBondContact O-N 3.42Å; E29-T33 HydrophobicContact CG-CG2 4.23Å; E29-T33 WeakPolarHBondContact O-CB 3.38Å; E29-T33 WeakPolarHBondContact O-CG2 3.47Å; E29-T33 PolarHBondContact O-N 3.43Å; E29-T33 PolarHBondContact O-OG1 3.19Å |
| 30 | D | 97.6 | Very high | 97.5 | Very high | 58 Ų | 58 | 56.8 Ų | 56.8 | 31% | 0.31 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.6 | -33.7 | 175.7 | -75.2 | -27.7 | 0 | 0 | 0 | 112.4 | Y27 W28 F34 I93 | Y27-D30 WeakPolarHBondContact O-CB 3.1Å; Y27-D30 PolarHBondContact O-N 3.15Å; Y27-D30 VanDerWaalsContact O-N 3.08Å; W28-D30 PolarHBondContact O-N 2.86Å; D30-F34 PolarHBondContact O-N 3.3Å; D30-I93 HydrophobicContact CB-CG1 4.26Å; D30-I93 HydrophobicContact CB-CG2 4.29Å |
| 31 | V | 98.3 | Very high | 97.5 | Very high | 5 Ų | 5 | 56.8 Ų | 56.8 | 3% | 0.03 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -77.2 | -50.6 | 177.6 | -178.8 | 0 | 0 | 0 | 0 | 109.7 | W28 E29 T33 F34 E83 I93 L109 P115 | W28-V31 HydrophobicContact CD2-CB 4.29Å; W28-V31 HydrophobicContact CE3-CB 4.14Å; W28-V31 HydrophobicContact CE3-CG1 4.34Å; W28-V31 HydrophobicContact CE3-CG2 4.26Å; W28-V31 HydrophobicContact CH2-CG1 3.94Å; W28-V31 HydrophobicContact CZ2-CG1 4.24Å; W28-V31 HydrophobicContact CZ3-CB 4.29Å; W28-V31 HydrophobicContact CZ3-CG1 3.99Å; W28-V31 HydrophobicContact CZ3-CG2 4.45Å; W28-V31 CarbonylContact O-C 3.59Å; W28-V31 WeakPolarHBondContact O-CA 3.39Å; W28-V31 WeakPolarHBondContact O-CB 3.47Å; W28-V31 PolarHBondContact O-N 2.91Å; E29-V31 VanDerWaalsContact C-N 3.28Å; E29-V31 PolarHBondContact O-N 2.75Å; V31-T33 VanDerWaalsContact C-N 3.31Å; V31-T33 PolarHBondContact O-N 3.23Å; V31-F34 WeakPolarHBondContact O-CB 3.49Å; V31-F34 PolarHBondContact O-N 3Å; V31-F34 VanDerWaalsContact O-N 3.09Å; V31-E83 HydrophobicContact CG1-CB 4.32Å; V31-E83 HydrophobicContact CG2-CB 4.27Å; V31-I93 HydrophobicContact CB-CD1 4.46Å; V31-I93 HydrophobicContact CG2-CD1 4.16Å; V31-I93 HydrophobicContact CG2-CG1 4.13Å; V31-L109 HydrophobicContact CG1-CD1 4.29Å; V31-P115 HydrophobicContact CG1-CG 4.04Å; V31-P115 WeakPolarHBondContact O-CB 3.47Å; V31-P115 WeakPolarHBondContact O-CG 3.49Å |
| 32 | E | 98.1 | Very high | 97.6 | Very high | 120 Ų | 120 | 56.4 Ų | 56.4 | 56% | 0.561 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -58.6 | -41.5 | -178.4 | -175.7 | 171 | -150.4 | 0 | 0 | 112.2 | W28 E29 F34 | W28-E32 PolarHBondContact O-N 3.26Å; E29-E32 PolarHBondContact O-N 3.42Å; E32-F34 VanDerWaalsContact C-N 3.31Å; E32-F34 PolarHBondContact O-N 3.47Å |
| 33 | T | 98.1 | Very high | 97.7 | Very high | 92 Ų | 92 | 52.2 Ų | 52.2 | 56% | 0.564 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 8.5 | 179.8 | 65.2 | 0 | 0 | 0 | 0 | 113.8 | E29 V31 S35 | E29-T33 HydrophobicContact CG-CG2 4.23Å; E29-T33 WeakPolarHBondContact O-CB 3.38Å; E29-T33 WeakPolarHBondContact O-CG2 3.47Å; E29-T33 PolarHBondContact O-N 3.43Å; E29-T33 PolarHBondContact O-OG1 3.19Å; V31-T33 VanDerWaalsContact C-N 3.31Å; V31-T33 PolarHBondContact O-N 3.23Å; T33-S35 PolarHBondContact O-N 3.08Å |
| 34 | F | 98.6 | Very high | 98 | Very high | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.018 | 25% | 0.252 | C | S | . | . | trans | -57.2 | 128.4 | -179.4 | -179.4 | -98.2 | 0 | 0 | 0 | 111.7 | D30 V31 E32 A36 L82 I93 L96 P115 S117 F118 | D30-F34 PolarHBondContact O-N 3.3Å; V31-F34 WeakPolarHBondContact O-CB 3.49Å; V31-F34 PolarHBondContact O-N 3Å; V31-F34 VanDerWaalsContact O-N 3.09Å; E32-F34 VanDerWaalsContact C-N 3.31Å; E32-F34 PolarHBondContact O-N 3.47Å; F34-A36 PolarHBondContact O-N 3.45Å; F34-L82 HydrophobicContact CD1-CD1 4.05Å; F34-L82 HydrophobicContact CD2-CD1 4.17Å; F34-L82 HydrophobicContact CE1-CD1 4.25Å; F34-L82 HydrophobicContact CE2-CD1 4.35Å; F34-L82 HydrophobicContact CG-CD1 3.99Å; F34-L82 HydrophobicContact CZ-CD1 4.38Å; F34-I93 HydrophobicContact CB-CD1 4.07Å; F34-I93 HydrophobicContact CD2-CD1 3.56Å; F34-I93 HydrophobicContact CD2-CG2 4.23Å; F34-I93 HydrophobicContact CE2-CD1 4.33Å; F34-I93 HydrophobicContact CG-CD1 4.07Å; F34-L96 HydrophobicContact CE2-CB 3.62Å; F34-L96 HydrophobicContact CE2-CD1 3.97Å; F34-L96 HydrophobicContact CE2-CG 4.44Å; F34-L96 HydrophobicContact CZ-CB 3.76Å; F34-L96 HydrophobicContact CZ-CD1 3.87Å; F34-L96 HydrophobicContact CZ-CG 4.35Å; F34-P115 HydrophobicContact CB-CB 4.29Å; F34-P115 HydrophobicContact CB-CG 4.3Å; F34-S117 WeakPolarHBondContact O-CB 3.11Å; F34-F118 HydrophobicContact CD1-CE1 4.41Å; F34-F118 AromaticContact CD1-CE2 3.72Å; F34-F118 HydrophobicContact CD1-CE2 3.72Å; F34-F118 AromaticContact CD1-CZ 3.59Å; F34-F118 HydrophobicContact CD1-CZ 3.59Å; F34-F118 AromaticContact CE1-CE1 3.96Å; F34-F118 HydrophobicContact CE1-CE1 3.96Å; F34-F118 AromaticContact CE1-CE2 4Å; F34-F118 HydrophobicContact CE1-CE2 4Å; F34-F118 AromaticContact CE1-CZ 3.35Å; F34-F118 HydrophobicContact CE1-CZ 3.35Å; F34-F118 HydrophobicContact CZ-CZ 4.45Å | ||
| 35 | S | 98.2 | Very high | 98.1 | Very high | 86 Ų | 86 | 48.3 Ų | 48.3 | 60% | 0.601 | 25% | 0.248 | S | C | * | . | trans | -89.9 | 107.5 | 178.4 | -165.2 | 0 | 0 | 0 | 0 | 110.9 | T33 R103 | T33-S35 PolarHBondContact O-N 3.08Å; S35-R103 PolarHBondContact O-NH2 3.19Å; S35-R103 VanDerWaalsContact O-NH2 3.12Å | ||
| 36 | A | 98.8 | Very high | 98.2 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 3% | 0.033 | 24% | 0.239 | C | C | . | . | trans | -74.1 | 152.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111 | F34 D40 S117 F118 K121 | F34-A36 PolarHBondContact O-N 3.45Å; A36-D40 WeakPolarHBondContact CA-OD2 3.25Å; A36-S117 PolarHBondContact N-OG 2.97Å; A36-F118 HydrophobicContact CB-CB 4.47Å; A36-F118 HydrophobicContact CB-CD1 3.36Å; A36-F118 HydrophobicContact CB-CE1 3.68Å; A36-F118 HydrophobicContact CB-CG 3.9Å; A36-F118 HydrophobicContact CB-CZ 4.43Å; A36-K121 HydrophobicContact CB-CB 4.48Å; A36-K121 HydrophobicContact CB-CG 4.14Å | ||
| 37 | R | 98.8 | Very high | 98.3 | Very high | 69 Ų | 69 | 40.8 Ų | 40.8 | 26% | 0.26 | 21% | 0.213 | S | C | . | . | trans | -104.6 | 148.2 | 170 | -61.4 | 173.5 | -168.5 | 163 | 6.4 | 109 | D39 D40 K99 S101 C123 | R37-D39 WeakPolarHBondContact CB-OD1 3.28Å; R37-D39 PolarHBondContact O-N 3.38Å; R37-D39 VanDerWaalsContact O-N 3.08Å; R37-D40 PolarHBondContact N-OD2 3.49Å; R37-D40 WeakPolarHBondContact O-CB 3.48Å; R37-D40 PolarHBondContact O-N 2.95Å; R37-K99 PolarHBondContact NH1-O 3.02Å; R37-K99 PolarHBondContact NH2-O 2.89Å; R37-S101 WeakPolarHBondContact CD-OG 3.3Å; R37-S101 VanDerWaalsContact NH1-N 3.13Å; R37-S101 PolarHBondContact NH1-OG 2.72Å; R37-C123 PolarHBondContact O-SG 3Å | ||
| 38 | P | 98.4 | Very high | 98.5 | Very high | 87 Ų | 87 | 38 Ų | 38 | 57% | 0.565 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -26.3 | -177.7 | -24.8 | 34 | 0 | 0 | 0 | 114.8 | K121 | P38-K121 HydrophobicContact CG-CD 4.39Š|
| 39 | D | 98.4 | Very high | 98.6 | Very high | 70 Ų | 70 | 37 Ų | 37 | 37% | 0.374 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 8.3 | -178.9 | 68.1 | -33.5 | 0 | 0 | 0 | 113.7 | R37 S101 P102 | R37-D39 WeakPolarHBondContact CB-OD1 3.28Å; R37-D39 PolarHBondContact O-N 3.38Å; R37-D39 VanDerWaalsContact O-N 3.08Å; D39-S101 PolarHBondContact OD1-OG 2.93Å; D39-S101 VanDerWaalsContact OD1-OG 3.1Å; D39-S101 WeakPolarHBondContact OD2-CB 3.43Å; D39-S101 PolarHBondContact OD2-OG 2.85Å; D39-P102 WeakPolarHBondContact OD2-CA 3.45Å |
| 40 | D | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.011 | 17% | 0.174 | C | C | . | . | trans | -64.8 | 140 | 169.8 | -70.8 | -20.7 | 0 | 0 | 0 | 110.8 | A36 R37 R103 F118 C123 | A36-D40 WeakPolarHBondContact CA-OD2 3.25Å; R37-D40 PolarHBondContact N-OD2 3.49Å; R37-D40 WeakPolarHBondContact O-CB 3.48Å; R37-D40 PolarHBondContact O-N 2.95Å; D40-R103 WeakPolarHBondContact OD1-CB 3.41Å; D40-R103 IonicContact OD1-CZ 2.68Å; D40-R103 IonicContact OD1-NE 3.24Å; D40-R103 PolarHBondContact OD1-NE 2.77Å; D40-R103 IonicContact OD1-NH2 2.73Å; D40-R103 PolarHBondContact OD1-NH2 2.97Å; D40-R103 IonicContact OD2-CZ 2.7Å; D40-R103 IonicContact OD2-NE 2.81Å; D40-R103 IonicContact OD2-NH2 2.73Å; D40-R103 PolarHBondContact OD2-NH2 3.13Å; D40-F118 HydrophobicContact CB-CE1 4.13Å; D40-C123 WeakPolarHBondContact O-CB 3.41Å | ||
| 41 | L | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 125.2 | 171.1 | 175.1 | 66.5 | 0 | 0 | 0 | 109.6 | V58 Y62 R103 I104 V105 K124 I126 F210 L211 | L41-V58 HydrophobicContact CD2-CG1 3.34Å; L41-Y62 HydrophobicContact CD2-CE2 3.59Å; L41-R103 PolarHBondContact N-O 2.92Å; L41-I104 CarbonylContact O-C 3.5Å; L41-I104 WeakPolarHBondContact O-CA 3.39Å; L41-V105 PolarHBondContact O-N 3.44Å; L41-K124 HydrophobicContact CD1-CB 3.66Å; L41-I126 HydrophobicContact CD1-CD1 3.92Å; L41-I126 HydrophobicContact CD1-CG1 4.11Å; L41-I126 HydrophobicContact CD2-CD1 4.09Å; L41-I126 HydrophobicContact CG-CD1 4.36Å; L41-F210 HydrophobicContact CD1-CE1 4.41Å; L41-L211 HydrophobicContact CD1-CD2 3.87Å; L41-L211 HydrophobicContact CD2-CD1 4.36Å; L41-L211 HydrophobicContact CD2-CD2 3.54Å; L41-L211 HydrophobicContact CG-CD2 4.35Å |
| 42 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 134 | 176 | -63.5 | 74.3 | 0 | 0 | 0 | 111 | V44 V105 L114 F118 C123 K124 I125 I126 | L42-V44 HydrophobicContact CB-CG2 3.95Å; L42-V44 HydrophobicContact CD2-CG2 4.48Å; L42-V105 CarbonylContact C-O 3.52Å; L42-V105 WeakPolarHBondContact CA-O 3.33Å; L42-V105 HydrophobicContact CG-CB 4.39Å; L42-L114 HydrophobicContact CD2-CD1 3.74Å; L42-L114 HydrophobicContact CD2-CD2 3.82Å; L42-L114 HydrophobicContact CD2-CG 4.3Å; L42-F118 HydrophobicContact CD1-CD1 3.46Å; L42-F118 VanDerWaalsContact CD1-CD1 3.46Å; L42-F118 HydrophobicContact CD1-CE1 3.75Å; L42-F118 HydrophobicContact CD1-CG 4.1Å; L42-F118 HydrophobicContact CD2-CB 4.26Å; L42-F118 HydrophobicContact CD2-CD1 3.94Å; L42-F118 HydrophobicContact CD2-CD2 3.99Å; L42-F118 HydrophobicContact CD2-CE1 4.19Å; L42-F118 HydrophobicContact CD2-CE2 4.24Å; L42-F118 HydrophobicContact CD2-CG 3.81Å; L42-F118 HydrophobicContact CD2-CZ 4.33Å; L42-F118 HydrophobicContact CG-CD1 4.04Å; L42-F118 HydrophobicContact CG-CE1 4.05Å; L42-F118 HydrophobicContact CG-CG 4.43Å; L42-F118 HydrophobicContact CG-CZ 4.44Å; L42-C123 HydrophobicContact CD1-CB 3.66Å; L42-K124 PolarHBondContact N-O 2.98Å; L42-I125 HydrophobicContact CB-CB 4.47Å; L42-I125 HydrophobicContact CB-CG1 4.17Å; L42-I125 HydrophobicContact CB-CG2 4.23Å; L42-I125 HydrophobicContact CD1-CG1 4.19Å; L42-I125 HydrophobicContact CD2-CD1 4.47Å; L42-I125 HydrophobicContact CD2-CG1 4.42Å; L42-I126 PolarHBondContact O-N 3.4Å |
| 43 | V | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.012 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 105.3 | 165 | 175.9 | 0 | 0 | 0 | 0 | 107.6 | I54 V58 I104 V105 K106 T107 | V43-I54 HydrophobicContact CG1-CG2 3.58Å; V43-V58 HydrophobicContact CG2-CG2 4.47Å; V43-I104 HydrophobicContact CG2-CG2 3.97Å; V43-V105 PolarHBondContact N-O 3.23Å; V43-K106 WeakPolarHBondContact O-CA 3.38Å; V43-T107 PolarHBondContact O-N 3.26Å |
| 44 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 133.9 | -175.6 | -170.4 | 0 | 0 | 0 | 0 | 110.1 | L42 T107 I125 I126 Y127 L128 W179 | L42-V44 HydrophobicContact CB-CG2 3.95Å; L42-V44 HydrophobicContact CD2-CG2 4.48Å; V44-T107 WeakPolarHBondContact CA-O 3.46Å; V44-T107 HydrophobicContact CB-CG2 4.33Å; V44-T107 HydrophobicContact CG1-CG2 4.19Å; V44-T107 HydrophobicContact CG2-CG2 3.69Å; V44-I125 HydrophobicContact CB-CG2 4.38Å; V44-I125 HydrophobicContact CG2-CG2 3.63Å; V44-I126 PolarHBondContact N-O 3.48Å; V44-Y127 HydrophobicContact CB-CD2 3.95Å; V44-Y127 HydrophobicContact CG1-CD2 3.86Å; V44-Y127 HydrophobicContact CG1-CE2 4.17Å; V44-Y127 VanDerWaalsContact O-CA 3.29Å; V44-Y127 WeakPolarHBondContact O-CA 3.5Å; V44-L128 PolarHBondContact O-N 3.11Å; V44-W179 HydrophobicContact CB-CH2 4.44Å; V44-W179 HydrophobicContact CB-CZ2 4.24Å; V44-W179 HydrophobicContact CG1-CD2 4.29Å; V44-W179 HydrophobicContact CG1-CH2 4.26Å; V44-W179 HydrophobicContact CG1-CZ2 3.58Å; V44-W179 HydrophobicContact CG2-CH2 3.92Å; V44-W179 HydrophobicContact CG2-CZ2 4.03Å |
| 45 | T | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 152.9 | 175.8 | 56.6 | 0 | 0 | 0 | 0 | 110 | S51 T107 H108 L128 | T45-S51 WeakPolarHBondContact OG1-CB 3.37Å; T45-T107 PolarHBondContact N-O 3.2Å; T45-H108 VanDerWaalsContact O-CA 3.32Å; T45-H108 WeakPolarHBondContact O-CA 3.41Å; T45-H108 PolarHBondContact O-ND1 2.97Å; T45-H108 PolarHBondContact OG1-CE1 2.91Å; T45-H108 PolarHBondContact OG1-ND1 3.37Å; T45-L128 WeakPolarHBondContact CB-O 3.44Å; T45-L128 HydrophobicContact CG2-CB 3.76Å; T45-L128 WeakPolarHBondContact CG2-O 3.47Å |
| 46 | Y | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -65.9 | 145.3 | 155.4 | -171.4 | -91.1 | 0 | 0 | 0 | 108.9 | K48 S49 V135 Y139 F162 V167 G170 W172 H175 | Y46-K48 PolarHBondContact O-N 2.96Å; Y46-S49 VanDerWaalsContact O-CB 3.3Å; Y46-S49 WeakPolarHBondContact O-CB 3.21Å; Y46-S49 PolarHBondContact O-N 3.06Å; Y46-S49 PolarHBondContact O-OG 2.63Å; Y46-V135 HydrophobicContact CD1-CG1 3.66Å; Y46-V135 HydrophobicContact CE1-CG1 3.74Å; Y46-Y139 AromaticContact CE1-CD1 3.97Å; Y46-Y139 HydrophobicContact CE1-CD1 3.97Å; Y46-Y139 AromaticContact CE1-CE1 3.85Å; Y46-Y139 HydrophobicContact CE1-CE1 3.85Å; Y46-F162 AromaticContact CE1-CE2 3.83Å; Y46-F162 HydrophobicContact CE1-CE2 3.83Å; Y46-V167 WeakPolarHBondContact OH-CG2 3.31Å; Y46-G170 WeakPolarHBondContact CE2-O 3.42Å; Y46-G170 PolarHBondContact OH-O 3.37Å; Y46-W172 HydrophobicContact CD1-CB 4.41Å; Y46-W172 AromaticContact CD1-CD1 3.59Å; Y46-W172 HydrophobicContact CD1-CG 4.4Å; Y46-W172 HydrophobicContact CD2-CB 4.27Å; Y46-W172 HydrophobicContact CE1-CB 4.15Å; Y46-W172 HydrophobicContact CE2-CB 3.99Å; Y46-W172 HydrophobicContact CG-CB 4.45Å; Y46-W172 AromaticContact CG-CD1 3.72Å; Y46-W172 HydrophobicContact CG-CG 4.45Å; Y46-H175 HydrophobicContact CD2-CB 3.79Å; Y46-H175 AromaticContact CD2-CD2 3.94Å; Y46-H175 AromaticContact CD2-CG 3.71Å; Y46-H175 HydrophobicContact CE2-CB 4.45Å |
| 47 | P | 98.9 | Very high | 98.8 | Very high | 5 Ų | 5 | 16 Ų | 16 | 3% | 0.032 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.3 | 136.6 | 178.9 | -31 | 34.7 | 0 | 0 | 0 | 113.1 | S49 H108 Y139 Y169 | P47-S49 VanDerWaalsContact C-N 3.29Å; P47-S49 PolarHBondContact O-N 3.45Å; P47-H108 HydrophobicContact CG-CB 4.22Å; P47-Y139 HydrophobicContact CB-CD1 4.47Å; P47-Y139 HydrophobicContact CB-CE1 3.94Å; P47-Y139 HydrophobicContact CB-CE2 4.03Å; P47-Y139 HydrophobicContact CG-CE1 4.24Å; P47-Y169 HydrophobicContact CG-CD2 3.37Å; P47-Y169 HydrophobicContact CG-CE2 4.15Å; P47-Y169 HydrophobicContact CG-CG 3.95Å |
| 48 | K | 98.8 | Very high | 98.8 | Very high | 27 Ų | 27 | 12.7 Ų | 12.7 | 12% | 0.117 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 18 | 176.1 | -40.6 | -51.7 | -62.8 | -179.1 | 0 | 116.2 | Y46 S138 Y139 F142 | Y46-K48 PolarHBondContact O-N 2.96Å; K48-S138 WeakPolarHBondContact CE-OG 3.36Å; K48-Y139 HydrophobicContact CG-CD2 4.05Å; K48-Y139 HydrophobicContact CG-CG 4.11Å; K48-F142 HydrophobicContact CD-CB 3.83Å; K48-F142 HydrophobicContact CD-CD1 4.29Å; K48-F142 HydrophobicContact CD-CD2 4.11Å; K48-F142 HydrophobicContact CD-CG 3.82Å; K48-F142 HydrophobicContact CG-CB 4.42Å; K48-F142 VanDerWaalsContact NZ-CD2 3.31Å |
| 49 | S | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.05 | C | C | . | . | S | Bend | trans | -88.6 | 4.3 | 174.6 | -48.7 | 0 | 0 | 0 | 0 | 114.7 | Y46 P47 L128 | Y46-S49 VanDerWaalsContact O-CB 3.3Å; Y46-S49 WeakPolarHBondContact O-CB 3.21Å; Y46-S49 PolarHBondContact O-N 3.06Å; Y46-S49 PolarHBondContact O-OG 2.63Å; P47-S49 VanDerWaalsContact C-N 3.29Å; P47-S49 PolarHBondContact O-N 3.45Å; S49-L128 VanDerWaalsContact O-CD2 3.3Å; S49-L128 WeakPolarHBondContact O-CD2 3.37Å |
| 50 | G | 98.7 | Very high | 98.9 | Very high | 15 Ų | 15 | 5.7 Ų | 5.7 | 16% | 0.155 | 3% | 0.032 | C | C | . | . | S | Bend | trans | 109.3 | 20.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | T52 W53 I54 | G50-T52 VanDerWaalsContact C-N 3.3Å; G50-T52 PolarHBondContact O-N 2.92Å; G50-W53 WeakPolarHBondContact O-CB 3.3Å; G50-W53 PolarHBondContact O-N 3.47Å; G50-I54 PolarHBondContact O-N 3.19Å; G50-I54 VanDerWaalsContact O-N 3.12Å |
| 51 | S | 98.8 | Very high | 98.9 | Very high | 11 Ų | 11 | 5.6 Ų | 5.6 | 8% | 0.077 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -49.9 | -43.7 | -179.7 | 46.8 | 0 | 0 | 0 | 0 | 114.7 | T45 W53 G55 | T45-S51 WeakPolarHBondContact OG1-CB 3.37Å; S51-W53 VanDerWaalsContact C-N 3.33Å; S51-W53 PolarHBondContact O-N 3.39Å; S51-G55 WeakPolarHBondContact O-CA 3.26Å; S51-G55 PolarHBondContact O-N 2.96Å |
| 52 | T | 98.9 | Very high | 98.8 | Very high | 10 Ų | 10 | 8 Ų | 8 | 6% | 0.061 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -64.4 | -38.9 | 178.2 | -49.4 | 0 | 0 | 0 | 0 | 111.8 | G50 E56 I75 M232 T238 Y240 F255 M256 | G50-T52 VanDerWaalsContact C-N 3.3Å; G50-T52 PolarHBondContact O-N 2.92Å; T52-E56 PolarHBondContact O-N 3.22Å; T52-I75 HydrophobicContact CG2-CD1 3.82Å; T52-I75 HydrophobicContact CG2-CG2 4.32Å; T52-I75 WeakPolarHBondContact O-CD1 3.32Å; T52-M232 HydrophobicContact CG2-CE 4.02Å; T52-T238 WeakPolarHBondContact CG2-O 3.38Å; T52-Y240 HydrophobicContact CG2-CE2 3.95Å; T52-F255 HydrophobicContact CG2-CE1 4.28Å; T52-F255 WeakPolarHBondContact OG1-CE1 3.33Å; T52-F255 WeakPolarHBondContact OG1-CZ 3.35Å; T52-M256 HydrophobicContact CG2-CE 3.72Å |
| 53 | W | 98.9 | Very high | 98.8 | Very high | 35 Ų | 35 | 9.8 Ų | 9.8 | 13% | 0.133 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -68.5 | -52.2 | -177.5 | -172.3 | 18.8 | 0 | 0 | 0 | 111.2 | G50 S51 G55 E56 I57 Y193 M196 K197 I200 T227 M232 | G50-W53 WeakPolarHBondContact O-CB 3.3Å; G50-W53 PolarHBondContact O-N 3.47Å; S51-W53 VanDerWaalsContact C-N 3.33Å; S51-W53 PolarHBondContact O-N 3.39Å; W53-G55 VanDerWaalsContact C-N 3.32Å; W53-G55 PolarHBondContact O-N 3.17Å; W53-E56 PolarHBondContact O-N 2.98Å; W53-I57 WeakPolarHBondContact O-CG1 3.32Å; W53-I57 PolarHBondContact O-N 3.2Å; W53-I57 VanDerWaalsContact O-N 3.12Å; W53-Y193 AromaticContact CE3-CD2 3.81Å; W53-Y193 HydrophobicContact CE3-CD2 3.81Å; W53-Y193 AromaticContact CE3-CE2 3.44Å; W53-Y193 HydrophobicContact CE3-CE2 3.44Å; W53-Y193 VanDerWaalsContact CE3-CE2 3.44Å; W53-Y193 AromaticContact CZ3-CD2 3.89Å; W53-Y193 HydrophobicContact CZ3-CD2 3.89Å; W53-Y193 AromaticContact CZ3-CE2 3.57Å; W53-Y193 HydrophobicContact CZ3-CE2 3.57Å; W53-M196 HydrophobicContact CD2-CE 3.67Å; W53-M196 HydrophobicContact CE3-CB 4.34Å; W53-M196 HydrophobicContact CE3-CE 3.76Å; W53-M196 HydrophobicContact CE3-SD 4.28Å; W53-M196 HydrophobicContact CG-CE 4.12Å; W53-M196 HydrophobicContact CH2-CB 3.56Å; W53-M196 HydrophobicContact CH2-CE 4.35Å; W53-M196 WeakPolarHBondContact CH2-O 3.41Å; W53-M196 HydrophobicContact CZ2-CB 4.32Å; W53-M196 HydrophobicContact CZ2-CE 4.28Å; W53-M196 HydrophobicContact CZ3-CB 3.58Å; W53-M196 HydrophobicContact CZ3-CE 4.11Å; W53-M196 HydrophobicContact CZ3-SD 4.4Å; W53-K197 HydrophobicContact CH2-CD 3.56Å; W53-K197 HydrophobicContact CH2-CG 3.97Å; W53-K197 HydrophobicContact CZ3-CD 3.73Å; W53-K197 HydrophobicContact CZ3-CG 3.87Å; W53-I200 HydrophobicContact CH2-CD1 4.22Å; W53-I200 HydrophobicContact CZ2-CD1 3.62Å; W53-I200 HydrophobicContact CZ2-CG1 4.29Å; W53-T227 PolarHBondContact NE1-O 3.44Å; W53-M232 HydrophobicContact CG-SD 4.5Å |
| 54 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -68.8 | -32.3 | 177.8 | -164.4 | 162.2 | 0 | 0 | 0 | 112.2 | V43 G50 I57 V58 I126 L128 M191 M196 L207 | V43-I54 HydrophobicContact CG1-CG2 3.58Å; G50-I54 PolarHBondContact O-N 3.19Å; G50-I54 VanDerWaalsContact O-N 3.12Å; I54-I57 PolarHBondContact O-N 3.37Å; I54-V58 WeakPolarHBondContact O-CB 3.34Å; I54-V58 VanDerWaalsContact O-CG2 3.25Å; I54-V58 WeakPolarHBondContact O-CG2 3.3Å; I54-V58 PolarHBondContact O-N 3.38Å; I54-I126 HydrophobicContact CD1-CG2 3.36Å; I54-I126 HydrophobicContact CG1-CG2 4.2Å; I54-L128 HydrophobicContact CB-CD2 3.94Å; I54-L128 HydrophobicContact CD1-CB 3.92Å; I54-L128 HydrophobicContact CD1-CD1 4.41Å; I54-L128 HydrophobicContact CD1-CD2 4.21Å; I54-L128 HydrophobicContact CD1-CG 4.42Å; I54-L128 HydrophobicContact CG2-CB 4.31Å; I54-L128 HydrophobicContact CG2-CD2 3.82Å; I54-M191 HydrophobicContact CD1-SD 3.82Å; I54-M196 HydrophobicContact CB-CE 4.41Å; I54-M196 HydrophobicContact CD1-SD 4.48Å; I54-L207 HydrophobicContact CD1-CD1 4.35Å; I54-L207 HydrophobicContact CD1-CD2 4.42Å; I54-L207 HydrophobicContact CG1-CD1 4.15Å |
| 55 | G | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 17 Ų | 17 | 2% | 0.021 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60.1 | -47.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S51 W53 V58 D59 I79 | S51-G55 WeakPolarHBondContact O-CA 3.26Å; S51-G55 PolarHBondContact O-N 2.96Å; W53-G55 VanDerWaalsContact C-N 3.32Å; W53-G55 PolarHBondContact O-N 3.17Å; G55-V58 PolarHBondContact O-N 3.49Å; G55-D59 PolarHBondContact O-N 3.36Å; G55-I79 WeakPolarHBondContact O-CD1 3.46Å |
| 56 | E | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -67 | -36.9 | 178.1 | -169 | 71.3 | 173.4 | 0 | 0 | 112.4 | T52 W53 V58 D59 M60 I75 R78 H226 T227 M232 T238 | T52-E56 PolarHBondContact O-N 3.22Å; W53-E56 PolarHBondContact O-N 2.98Å; E56-V58 VanDerWaalsContact C-N 3.35Å; E56-D59 PolarHBondContact O-N 2.96Å; E56-M60 WeakPolarHBondContact O-CB 3.46Å; E56-M60 WeakPolarHBondContact O-CG 3.19Å; E56-M60 PolarHBondContact O-N 3.2Å; E56-I75 HydrophobicContact CB-CD1 4.15Å; E56-R78 IonicContact OE1-NH2 3.58Å; E56-R78 IonicContact OE2-CZ 3.62Å; E56-R78 VanDerWaalsContact OE2-CZ 3.24Å; E56-R78 IonicContact OE2-NH1 3.14Å; E56-R78 PolarHBondContact OE2-NH1 3.47Å; E56-R78 IonicContact OE2-NH2 2.66Å; E56-R78 PolarHBondContact OE2-NH2 2.98Å; E56-H226 IonicContact OE1-CD2 3.62Å; E56-H226 IonicContact OE1-CE1 2.75Å; E56-H226 IonicContact OE1-NE2 3.39Å; E56-H226 PolarHBondContact OE1-NE2 3.37Å; E56-T227 HydrophobicContact CB-CG2 4.23Å; E56-T227 HydrophobicContact CG-CG2 3.88Å; E56-M232 HydrophobicContact CB-CE 3.49Å; E56-M232 VanDerWaalsContact CB-CE 3.49Å; E56-M232 HydrophobicContact CB-SD 4.31Å; E56-M232 HydrophobicContact CG-CE 3.91Å; E56-T238 HydrophobicContact CG-CG2 4.03Å; E56-T238 WeakPolarHBondContact OE1-CG2 3.31Å; E56-T238 WeakPolarHBondContact OE2-CG2 3.49Å |
| 57 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.4 | -48.3 | 172.7 | -69.6 | 167.2 | 0 | 0 | 0 | 110.2 | W53 I54 M60 I61 M196 I200 V204 L207 I223 T227 | W53-I57 WeakPolarHBondContact O-CG1 3.32Å; W53-I57 PolarHBondContact O-N 3.2Å; W53-I57 VanDerWaalsContact O-N 3.12Å; I54-I57 PolarHBondContact O-N 3.37Å; I57-M60 PolarHBondContact O-N 3.47Å; I57-I61 HydrophobicContact CG2-CD1 3.9Å; I57-I61 VanDerWaalsContact O-CG1 3.26Å; I57-I61 WeakPolarHBondContact O-CG1 3.41Å; I57-I61 PolarHBondContact O-N 3.18Å; I57-M196 HydrophobicContact CD1-CE 3.36Å; I57-I200 HydrophobicContact CD1-CD1 4.09Å; I57-V204 HydrophobicContact CD1-CG2 4.37Å; I57-V204 HydrophobicContact CG2-CG2 4.2Å; I57-L207 HydrophobicContact CG2-CD1 3.69Å; I57-I223 HydrophobicContact CB-CG2 4.36Å; I57-I223 HydrophobicContact CG1-CG2 4.12Å; I57-I223 HydrophobicContact CG2-CG2 3.92Å; I57-T227 HydrophobicContact CG1-CG2 3.7Å |
| 58 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.6 | -43.6 | 179.2 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | L41 V43 I54 G55 E56 M60 I61 Y62 I104 I126 L207 L211 | L41-V58 HydrophobicContact CD2-CG1 3.34Å; V43-V58 HydrophobicContact CG2-CG2 4.47Å; I54-V58 WeakPolarHBondContact O-CB 3.34Å; I54-V58 VanDerWaalsContact O-CG2 3.25Å; I54-V58 WeakPolarHBondContact O-CG2 3.3Å; I54-V58 PolarHBondContact O-N 3.38Å; G55-V58 PolarHBondContact O-N 3.49Å; E56-V58 VanDerWaalsContact C-N 3.35Å; V58-M60 VanDerWaalsContact C-N 3.34Å; V58-M60 PolarHBondContact O-N 3.08Å; V58-I61 WeakPolarHBondContact O-CB 3.4Å; V58-I61 PolarHBondContact O-N 3.25Å; V58-I61 VanDerWaalsContact O-N 3.17Å; V58-Y62 HydrophobicContact CG1-CD2 3.94Å; V58-Y62 HydrophobicContact CG1-CE2 3.94Å; V58-Y62 VanDerWaalsContact O-CD2 3.32Å; V58-Y62 WeakPolarHBondContact O-CD2 3.38Å; V58-Y62 PolarHBondContact O-N 2.69Å; V58-I104 HydrophobicContact CG1-CD1 3.83Å; V58-I104 HydrophobicContact CG1-CG1 4.15Å; V58-I104 HydrophobicContact CG1-CG2 4.07Å; V58-I126 HydrophobicContact CG2-CD1 3.66Å; V58-L207 HydrophobicContact CG2-CD2 4.49Å; V58-L211 HydrophobicContact CG1-CD1 4.37Å |
| 59 | D | 98.7 | Very high | 98.5 | Very high | 10 Ų | 10 | 30.5 Ų | 30.5 | 5% | 0.053 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.2 | -41.6 | 177.4 | -167.4 | 53.4 | 0 | 0 | 0 | 111.9 | G55 E56 I61 Y62 K63 C70 R78 I79 I104 | G55-D59 PolarHBondContact O-N 3.36Å; E56-D59 PolarHBondContact O-N 2.96Å; D59-I61 VanDerWaalsContact C-N 3.32Å; D59-I61 PolarHBondContact O-N 3.14Å; D59-Y62 PolarHBondContact O-N 2.87Å; D59-K63 WeakPolarHBondContact O-CB 3.47Å; D59-K63 WeakPolarHBondContact O-CG 3.39Å; D59-K63 PolarHBondContact O-N 3.49Å; D59-K63 WeakPolarHBondContact OD1-CE 3.32Å; D59-K63 IonicContact OD1-NZ 2.71Å; D59-K63 PolarHBondContact OD1-NZ 3.16Å; D59-K63 WeakPolarHBondContact OD2-CE 3.42Å; D59-K63 IonicContact OD2-NZ 2.66Å; D59-K63 PolarHBondContact OD2-NZ 3.39Å; D59-C70 PolarHBondContact OD2-SG 3.35Å; D59-R78 IonicContact OD2-CZ 3.84Å; D59-R78 IonicContact OD2-NE 3.15Å; D59-R78 IonicContact OD2-NH1 2.83Å; D59-R78 PolarHBondContact OD2-NH1 2.95Å; D59-I79 HydrophobicContact CB-CD1 4.29Å; D59-I104 HydrophobicContact CB-CD1 4.28Å |
| 60 | M | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.9 | -39.9 | 173.6 | -77.2 | -76.3 | -70 | 0 | 0 | 112.2 | E56 I57 V58 K63 E64 G65 V67 C70 K222 I223 H226 T227 | E56-M60 WeakPolarHBondContact O-CB 3.46Å; E56-M60 WeakPolarHBondContact O-CG 3.19Å; E56-M60 PolarHBondContact O-N 3.2Å; I57-M60 PolarHBondContact O-N 3.47Å; V58-M60 VanDerWaalsContact C-N 3.34Å; V58-M60 PolarHBondContact O-N 3.08Å; M60-K63 CarbonylContact O-C 3.48Å; M60-K63 PolarHBondContact O-N 3.14Å; M60-E64 PolarHBondContact O-N 3.38Å; M60-E64 VanDerWaalsContact O-N 3.08Å; M60-G65 PolarHBondContact O-N 3.34Å; M60-V67 HydrophobicContact CE-CG2 3.79Å; M60-V67 HydrophobicContact SD-CG2 4.13Å; M60-C70 HydrophobicContact SD-CB 4.08Å; M60-C70 PolarHBondContact SD-SG 3.17Å; M60-K222 HydrophobicContact CE-CB 4.46Å; M60-I223 HydrophobicContact CB-CG1 3.85Å; M60-I223 HydrophobicContact CE-CG1 4.35Å; M60-H226 HydrophobicContact CE-CB 3.87Å; M60-H226 HydrophobicContact SD-CB 4.44Å; M60-H226 PolarHBondContact SD-CD2 3.43Å; M60-T227 HydrophobicContact CG-CG2 4.33Å |
| 61 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.1 | -44.8 | 175.3 | -68.5 | 167 | 0 | 0 | 0 | 110.6 | I57 V58 D59 K63 E64 L207 I208 L211 R213 I223 | I57-I61 HydrophobicContact CG2-CD1 3.9Å; I57-I61 VanDerWaalsContact O-CG1 3.26Å; I57-I61 WeakPolarHBondContact O-CG1 3.41Å; I57-I61 PolarHBondContact O-N 3.18Å; V58-I61 WeakPolarHBondContact O-CB 3.4Å; V58-I61 PolarHBondContact O-N 3.25Å; V58-I61 VanDerWaalsContact O-N 3.17Å; D59-I61 VanDerWaalsContact C-N 3.32Å; D59-I61 PolarHBondContact O-N 3.14Å; I61-K63 PolarHBondContact O-N 2.83Å; I61-E64 PolarHBondContact O-N 2.66Å; I61-L207 HydrophobicContact CD1-CB 3.92Å; I61-I208 HydrophobicContact CD1-CG1 3.66Å; I61-I208 HydrophobicContact CG1-CG1 3.76Å; I61-I208 HydrophobicContact CG2-CG1 4.35Å; I61-L211 HydrophobicContact CB-CD1 4.34Å; I61-L211 HydrophobicContact CD1-CD1 4.08Å; I61-L211 HydrophobicContact CG2-CD1 3.83Å; I61-R213 VanDerWaalsContact CG2-CD 3.41Å; I61-R213 PolarHBondContact O-NH1 3.17Å; I61-I223 HydrophobicContact CG1-CD1 3.57Å |
| 62 | Y | 98.4 | Very high | 98.4 | Very high | 50 Ų | 50 | 40.1 Ų | 40.1 | 20% | 0.196 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.5 | -29.9 | 179.1 | -90.5 | -107.4 | 0 | 0 | 0 | 113.1 | L41 V58 D59 P102 I104 L211 | L41-Y62 HydrophobicContact CD2-CE2 3.59Å; V58-Y62 HydrophobicContact CG1-CD2 3.94Å; V58-Y62 HydrophobicContact CG1-CE2 3.94Å; V58-Y62 VanDerWaalsContact O-CD2 3.32Å; V58-Y62 WeakPolarHBondContact O-CD2 3.38Å; V58-Y62 PolarHBondContact O-N 2.69Å; D59-Y62 PolarHBondContact O-N 2.87Å; Y62-P102 HydrophobicContact CD1-CB 4.45Å; Y62-P102 HydrophobicContact CD1-CG 3.73Å; Y62-P102 HydrophobicContact CE1-CB 3.76Å; Y62-P102 HydrophobicContact CE1-CG 3.49Å; Y62-P102 VanDerWaalsContact CE1-CG 3.49Å; Y62-I104 HydrophobicContact CD2-CD1 4.2Å; Y62-I104 HydrophobicContact CG-CD1 4.21Å; Y62-L211 HydrophobicContact CD2-CD1 4.46Å; Y62-L211 HydrophobicContact CE2-CD1 4.01Å; Y62-L211 HydrophobicContact CE2-CD2 4.27Å |
| 63 | K | 98.3 | Very high | 98.3 | Very high | 38 Ų | 38 | 42.6 Ų | 42.6 | 17% | 0.165 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 11.1 | 177.8 | -71 | 164.7 | 173.4 | 176.4 | 0 | 113.5 | D59 M60 I61 G65 D66 K69 C70 | D59-K63 WeakPolarHBondContact O-CB 3.47Å; D59-K63 WeakPolarHBondContact O-CG 3.39Å; D59-K63 PolarHBondContact O-N 3.49Å; D59-K63 WeakPolarHBondContact OD1-CE 3.32Å; D59-K63 IonicContact OD1-NZ 2.71Å; D59-K63 PolarHBondContact OD1-NZ 3.16Å; D59-K63 WeakPolarHBondContact OD2-CE 3.42Å; D59-K63 IonicContact OD2-NZ 2.66Å; D59-K63 PolarHBondContact OD2-NZ 3.39Å; M60-K63 CarbonylContact O-C 3.48Å; M60-K63 PolarHBondContact O-N 3.14Å; I61-K63 PolarHBondContact O-N 2.83Å; K63-G65 PolarHBondContact O-N 3.22Å; K63-G65 VanDerWaalsContact O-N 3.15Å; K63-D66 HydrophobicContact CB-CB 4.33Å; K63-D66 WeakPolarHBondContact O-CB 3.42Å; K63-D66 PolarHBondContact O-N 3.36Å; K63-K69 HydrophobicContact CB-CB 4.38Å; K63-K69 HydrophobicContact CD-CB 3.6Å; K63-K69 HydrophobicContact CG-CB 4.03Å; K63-K69 HydrophobicContact CG-CD 4.35Å; K63-K69 PolarHBondContact NZ-O 2.87Å; K63-C70 WeakPolarHBondContact CD-SG 3.25Å |
| 64 | E | 97.9 | Very high | 98.3 | Very high | 149 Ų | 149 | 41 Ų | 41 | 70% | 0.696 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 33.5 | 176.1 | -59.3 | 172.6 | -166 | 0 | 0 | 113.1 | M60 I61 R213 L219 | M60-E64 PolarHBondContact O-N 3.38Å; M60-E64 VanDerWaalsContact O-N 3.08Å; I61-E64 PolarHBondContact O-N 2.66Å; E64-R213 IonicContact OE1-NH1 3.81Å; E64-L219 VanDerWaalsContact C-CD1 3.47Å |
| 65 | G | 97.8 | Very high | 98.2 | Very high | 6 Ų | 6 | 41.3 Ų | 41.3 | 6% | 0.062 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | 11.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | M60 K63 V67 | M60-G65 PolarHBondContact O-N 3.34Å; K63-G65 PolarHBondContact O-N 3.22Å; K63-G65 VanDerWaalsContact O-N 3.15Å; G65-V67 PolarHBondContact O-N 3.31Å; G65-V67 VanDerWaalsContact O-N 3.1Å |
| 66 | D | 98.3 | Very high | 98.2 | Very high | 57 Ų | 57 | 43.2 Ų | 43.2 | 31% | 0.305 | 21% | 0.205 | S | C | . | . | trans | -73.7 | 96.3 | 175.2 | -170.4 | -24.2 | 0 | 0 | 0 | 111.2 | K63 E68 K69 C70 | K63-D66 HydrophobicContact CB-CB 4.33Å; K63-D66 WeakPolarHBondContact O-CB 3.42Å; K63-D66 PolarHBondContact O-N 3.36Å; D66-E68 VanDerWaalsContact C-N 3.28Å; D66-E68 PolarHBondContact O-N 2.77Å; D66-E68 PolarHBondContact OD1-N 2.68Å; D66-E68 VanDerWaalsContact OD1-N 3.14Å; D66-K69 HydrophobicContact CB-CB 4.22Å; D66-K69 HydrophobicContact CB-CD 3.99Å; D66-K69 HydrophobicContact CB-CG 4.22Å; D66-K69 PolarHBondContact O-N 2.86Å; D66-K69 PolarHBondContact OD1-N 3.36Å; D66-K69 VanDerWaalsContact OD1-N 3.16Å; D66-K69 VanDerWaalsContact OD2-CD 3.24Å; D66-K69 WeakPolarHBondContact OD2-CD 3.26Å; D66-K69 WeakPolarHBondContact OD2-CE 3.39Å; D66-K69 WeakPolarHBondContact OD2-CG 3.48Å; D66-K69 IonicContact OD2-NZ 2.72Å; D66-K69 PolarHBondContact OD2-NZ 2.92Å; D66-C70 PolarHBondContact O-N 3.17Å | ||
| 67 | V | 97.9 | Very high | 98.1 | Very high | 37 Ų | 37 | 45.7 Ų | 45.7 | 22% | 0.224 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62 | -34.4 | -178.9 | 170.3 | 0 | 0 | 0 | 0 | 112.3 | M60 G65 C70 K71 H226 | M60-V67 HydrophobicContact CE-CG2 3.79Å; M60-V67 HydrophobicContact SD-CG2 4.13Å; G65-V67 PolarHBondContact O-N 3.31Å; G65-V67 VanDerWaalsContact O-N 3.1Å; V67-C70 PolarHBondContact O-N 3.15Å; V67-K71 HydrophobicContact CG1-CD 4Å; V67-K71 VanDerWaalsContact CG1-CE 3.44Å; V67-K71 WeakPolarHBondContact O-CG 3.4Å; V67-K71 PolarHBondContact O-N 3.29Å; V67-K71 VanDerWaalsContact O-N 3.17Å; V67-H226 HydrophobicContact CG2-CB 4.25Å |
| 68 | E | 98.1 | Very high | 98 | Very high | 125 Ų | 125 | 46.4 Ų | 46.4 | 58% | 0.584 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -70.1 | -41 | -177.2 | -62.9 | -52.9 | 120.8 | 0 | 0 | 110.1 | D66 C70 K71 E72 | D66-E68 VanDerWaalsContact C-N 3.28Å; D66-E68 PolarHBondContact O-N 2.77Å; D66-E68 PolarHBondContact OD1-N 2.68Å; D66-E68 VanDerWaalsContact OD1-N 3.14Å; E68-C70 VanDerWaalsContact C-N 3.27Å; E68-C70 PolarHBondContact O-N 3.4Å; E68-K71 CarbonylContact O-C 3.54Å; E68-K71 WeakPolarHBondContact O-CA 3.48Å; E68-K71 PolarHBondContact O-N 3.46Å; E68-E72 PolarHBondContact O-N 3.04Å; E68-E72 VanDerWaalsContact O-N 3.14Å |
| 69 | K | 97.9 | Very high | 98 | Very high | 96 Ų | 96 | 46.7 Ų | 46.7 | 42% | 0.417 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.9 | -35.7 | 170.2 | -71.1 | 179.2 | -173.5 | 160.3 | 0 | 112.7 | K63 D66 K71 | K63-K69 HydrophobicContact CB-CB 4.38Å; K63-K69 HydrophobicContact CD-CB 3.6Å; K63-K69 HydrophobicContact CG-CB 4.03Å; K63-K69 HydrophobicContact CG-CD 4.35Å; K63-K69 PolarHBondContact NZ-O 2.87Å; D66-K69 HydrophobicContact CB-CB 4.22Å; D66-K69 HydrophobicContact CB-CD 3.99Å; D66-K69 HydrophobicContact CB-CG 4.22Å; D66-K69 PolarHBondContact O-N 2.86Å; D66-K69 PolarHBondContact OD1-N 3.36Å; D66-K69 VanDerWaalsContact OD1-N 3.16Å; D66-K69 VanDerWaalsContact OD2-CD 3.24Å; D66-K69 WeakPolarHBondContact OD2-CD 3.26Å; D66-K69 WeakPolarHBondContact OD2-CE 3.39Å; D66-K69 WeakPolarHBondContact OD2-CG 3.48Å; D66-K69 IonicContact OD2-NZ 2.72Å; D66-K69 PolarHBondContact OD2-NZ 2.92Å; K69-K71 PolarHBondContact O-N 2.9Å |
| 70 | C | 97.4 | Very high | 98 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.5 | -13.9 | 174.8 | -72.9 | 0 | 0 | 0 | 0 | 113.6 | D59 M60 K63 D66 V67 E68 R78 | D59-C70 PolarHBondContact OD2-SG 3.35Å; M60-C70 HydrophobicContact SD-CB 4.08Å; M60-C70 PolarHBondContact SD-SG 3.17Å; K63-C70 WeakPolarHBondContact CD-SG 3.25Å; D66-C70 PolarHBondContact O-N 3.17Å; V67-C70 PolarHBondContact O-N 3.15Å; E68-C70 VanDerWaalsContact C-N 3.27Å; E68-C70 PolarHBondContact O-N 3.4Å; C70-R78 PolarHBondContact O-NE 3.12Å; C70-R78 PolarHBondContact O-NH2 2.95Å |
| 71 | K | 98 | Very high | 98 | Very high | 80 Ų | 80 | 48 Ų | 48 | 35% | 0.348 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -104.9 | -3.4 | 178.4 | -69.2 | 173.6 | -177.9 | 170 | 0 | 114.2 | V67 E68 K69 D73 C237 | V67-K71 HydrophobicContact CG1-CD 4Å; V67-K71 VanDerWaalsContact CG1-CE 3.44Å; V67-K71 WeakPolarHBondContact O-CG 3.4Å; V67-K71 PolarHBondContact O-N 3.29Å; V67-K71 VanDerWaalsContact O-N 3.17Å; E68-K71 CarbonylContact O-C 3.54Å; E68-K71 WeakPolarHBondContact O-CA 3.48Å; E68-K71 PolarHBondContact O-N 3.46Å; K69-K71 PolarHBondContact O-N 2.9Å; K71-D73 PolarHBondContact O-N 3.41Å; K71-C237 PolarHBondContact O-SG 3.19Å |
| 72 | E | 97.1 | Very high | 98 | Very high | 147 Ų | 147 | 48 Ų | 48 | 69% | 0.687 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -56.6 | -32.7 | 178 | -76 | 173.5 | 177.3 | 0 | 0 | 113.5 | E68 | E68-E72 PolarHBondContact O-N 3.04Å; E68-E72 VanDerWaalsContact O-N 3.14Å |
| 73 | D | 97.9 | Very high | 98 | Very high | 63 Ų | 63 | 45.7 Ų | 45.7 | 34% | 0.337 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -153.5 | 166.9 | 179.9 | -158.5 | -5.6 | 0 | 0 | 0 | 111.5 | K71 N77 R78 C237 | K71-D73 PolarHBondContact O-N 3.41Å; D73-N77 HydrophobicContact CB-CB 4.48Å; D73-N77 VanDerWaalsContact CG-ND2 3.31Å; D73-N77 PolarHBondContact OD1-ND2 3.45Å; D73-N77 WeakPolarHBondContact OD2-CB 3.2Å; D73-N77 PolarHBondContact OD2-ND2 3.29Å; D73-N77 VanDerWaalsContact OD2-ND2 3.08Å; D73-R78 HydrophobicContact CB-CG 4.17Å; D73-R78 WeakPolarHBondContact O-CD 3.46Å; D73-R78 PolarHBondContact O-NE 2.88Å; D73-C237 WeakPolarHBondContact O-CB 3.32Å |
| 74 | A | 98 | Very high | 98 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -61.5 | 145.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | F76 N77 R78 M242 | A74-F76 HydrophobicContact CB-CD1 3.91Å; A74-F76 HydrophobicContact CB-CD2 4.23Å; A74-F76 HydrophobicContact CB-CE1 3.44Å; A74-F76 VanDerWaalsContact CB-CE1 3.44Å; A74-F76 HydrophobicContact CB-CE2 3.78Å; A74-F76 HydrophobicContact CB-CG 4.29Å; A74-F76 HydrophobicContact CB-CZ 3.36Å; A74-F76 PolarHBondContact O-N 3.36Å; A74-F76 VanDerWaalsContact O-N 3.08Å; A74-N77 WeakPolarHBondContact O-CB 3.4Å; A74-N77 PolarHBondContact O-N 3.19Å; A74-R78 PolarHBondContact O-N 2.73Å; A74-M242 HydrophobicContact CB-CB 4.46Å; A74-M242 HydrophobicContact CB-CE 4.27Å; A74-M242 HydrophobicContact CB-SD 3.83Å | ||
| 75 | I | 98.5 | Very high | 97.8 | Very high | 7 Ų | 7 | 39.5 Ų | 39.5 | 4% | 0.036 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.8 | -30.2 | -176.2 | -165.3 | 168.8 | 0 | 0 | 0 | 113 | T52 E56 N77 R78 I79 C237 Y240 | T52-I75 HydrophobicContact CG2-CD1 3.82Å; T52-I75 HydrophobicContact CG2-CG2 4.32Å; T52-I75 WeakPolarHBondContact O-CD1 3.32Å; E56-I75 HydrophobicContact CB-CD1 4.15Å; I75-N77 VanDerWaalsContact C-N 3.29Å; I75-N77 PolarHBondContact O-N 2.9Å; I75-R78 PolarHBondContact O-N 3.24Å; I75-I79 HydrophobicContact CD1-CD1 4.43Å; I75-I79 HydrophobicContact CG1-CD1 4.12Å; I75-I79 HydrophobicContact CG1-CG1 4.48Å; I75-I79 WeakPolarHBondContact O-CA 3.44Å; I75-I79 PolarHBondContact O-N 2.66Å; I75-C237 WeakPolarHBondContact CB-O 3.48Å; I75-C237 PolarHBondContact N-O 3.4Å; I75-Y240 HydrophobicContact CG2-CE2 4.11Å |
| 76 | F | 96.9 | Very high | 97.3 | Very high | 43 Ų | 43 | 41.7 Ų | 41.7 | 19% | 0.189 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -75.1 | -15.9 | 178.5 | 53.2 | -101.6 | 0 | 0 | 0 | 113.9 | A74 Q95 Y240 M242 L243 | A74-F76 HydrophobicContact CB-CD1 3.91Å; A74-F76 HydrophobicContact CB-CD2 4.23Å; A74-F76 HydrophobicContact CB-CE1 3.44Å; A74-F76 VanDerWaalsContact CB-CE1 3.44Å; A74-F76 HydrophobicContact CB-CE2 3.78Å; A74-F76 HydrophobicContact CB-CG 4.29Å; A74-F76 HydrophobicContact CB-CZ 3.36Å; A74-F76 PolarHBondContact O-N 3.36Å; A74-F76 VanDerWaalsContact O-N 3.08Å; F76-Q95 PolarHBondContact O-OE1 2.99Å; F76-Y240 HydrophobicContact CB-CE1 4.29Å; F76-Y240 AromaticContact CD1-CD1 3.76Å; F76-Y240 HydrophobicContact CD1-CD1 3.76Å; F76-Y240 AromaticContact CD1-CE1 3.7Å; F76-Y240 HydrophobicContact CD1-CE1 3.7Å; F76-Y240 HydrophobicContact CE1-CD1 4.18Å; F76-Y240 HydrophobicContact CG-CE1 4.41Å; F76-M242 HydrophobicContact CZ-CB 4.33Å; F76-L243 HydrophobicContact CD1-CD2 4.46Å; F76-L243 HydrophobicContact CD1-CG 4.39Å; F76-L243 HydrophobicContact CE1-CD1 4.46Å; F76-L243 HydrophobicContact CE1-CD2 3.86Å; F76-L243 HydrophobicContact CE1-CG 3.72Å; F76-L243 HydrophobicContact CE2-CD2 3.96Å; F76-L243 HydrophobicContact CZ-CD2 3.58Å; F76-L243 HydrophobicContact CZ-CG 3.91Å |
| 77 | N | 97.5 | Very high | 96.4 | Very high | 52 Ų | 52 | 45 Ų | 45 | 28% | 0.278 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -93.4 | -37.3 | 170 | -63.7 | -19.9 | 0 | 0 | 0 | 111.2 | D73 A74 I75 K99 | D73-N77 HydrophobicContact CB-CB 4.48Å; D73-N77 VanDerWaalsContact CG-ND2 3.31Å; D73-N77 PolarHBondContact OD1-ND2 3.45Å; D73-N77 WeakPolarHBondContact OD2-CB 3.2Å; D73-N77 PolarHBondContact OD2-ND2 3.29Å; D73-N77 VanDerWaalsContact OD2-ND2 3.08Å; A74-N77 WeakPolarHBondContact O-CB 3.4Å; A74-N77 PolarHBondContact O-N 3.19Å; I75-N77 VanDerWaalsContact C-N 3.29Å; I75-N77 PolarHBondContact O-N 2.9Å; N77-K99 PolarHBondContact O-NZ 2.69Å |
| 78 | R | 98.2 | Very high | 95.3 | Very high | 14 Ų | 14 | 50.5 Ų | 50.5 | 5% | 0.053 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.1 | -42 | 175 | -69.1 | -171.9 | -74.2 | 112.3 | -6 | 112.1 | E56 D59 C70 D73 A74 I75 P80 K99 C237 | E56-R78 IonicContact OE1-NH2 3.58Å; E56-R78 IonicContact OE2-CZ 3.62Å; E56-R78 VanDerWaalsContact OE2-CZ 3.24Å; E56-R78 IonicContact OE2-NH1 3.14Å; E56-R78 PolarHBondContact OE2-NH1 3.47Å; E56-R78 IonicContact OE2-NH2 2.66Å; E56-R78 PolarHBondContact OE2-NH2 2.98Å; D59-R78 IonicContact OD2-CZ 3.84Å; D59-R78 IonicContact OD2-NE 3.15Å; D59-R78 IonicContact OD2-NH1 2.83Å; D59-R78 PolarHBondContact OD2-NH1 2.95Å; C70-R78 PolarHBondContact O-NE 3.12Å; C70-R78 PolarHBondContact O-NH2 2.95Å; D73-R78 HydrophobicContact CB-CG 4.17Å; D73-R78 WeakPolarHBondContact O-CD 3.46Å; D73-R78 PolarHBondContact O-NE 2.88Å; A74-R78 PolarHBondContact O-N 2.73Å; I75-R78 PolarHBondContact O-N 3.24Å; R78-P80 WeakPolarHBondContact O-CD 3.13Å; R78-K99 WeakPolarHBondContact O-CE 3.5Å; R78-K99 PolarHBondContact O-NZ 2.8Å; R78-C237 PolarHBondContact NH2-O 3.23Å |
| 79 | I | 98.6 | Very high | 94.4 | Very high | 6 Ų | 6 | 50.3 Ų | 50.3 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -122.8 | 87.1 | 178.6 | -53 | 176.3 | 0 | 0 | 0 | 107.8 | G55 D59 I75 I104 K106 | G55-I79 WeakPolarHBondContact O-CD1 3.46Å; D59-I79 HydrophobicContact CB-CD1 4.29Å; I75-I79 HydrophobicContact CD1-CD1 4.43Å; I75-I79 HydrophobicContact CG1-CD1 4.12Å; I75-I79 HydrophobicContact CG1-CG1 4.48Å; I75-I79 WeakPolarHBondContact O-CA 3.44Å; I75-I79 PolarHBondContact O-N 2.66Å; I79-I104 HydrophobicContact CD1-CG2 4.18Å; I79-I104 HydrophobicContact CG1-CB 4.22Å; I79-I104 HydrophobicContact CG1-CD1 4.47Å; I79-I104 HydrophobicContact CG1-CG2 4.18Å; I79-I104 HydrophobicContact CG2-CB 4.14Å; I79-I104 HydrophobicContact CG2-CG2 3.71Å; I79-K106 HydrophobicContact CG2-CB 3.85Å |
| 80 | P | 98.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -58.8 | 141.3 | -177.4 | -26.5 | 36.3 | 0 | 0 | 0 | 112.4 | R78 L82 Q95 L96 K99 K106 | R78-P80 WeakPolarHBondContact O-CD 3.13Å; P80-L82 PolarHBondContact O-N 2.76Å; P80-Q95 HydrophobicContact CB-CB 3.91Å; P80-Q95 HydrophobicContact CG-CB 3.89Å; P80-L96 HydrophobicContact CB-CD1 4.4Å; P80-L96 HydrophobicContact CB-CD2 3.8Å; P80-L96 HydrophobicContact CB-CG 3.7Å; P80-L96 HydrophobicContact CG-CD2 3.82Å; P80-L96 HydrophobicContact CG-CG 4.12Å; P80-K99 HydrophobicContact CG-CD 4.11Å; P80-K106 PolarHBondContact O-N 2.83Å | ||
| 81 | Y | 98.6 | Very high | 93.9 | Very high | 37 Ų | 37 | 48.7 Ų | 48.7 | 15% | 0.145 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -90.8 | 100.1 | 178.3 | -176.4 | -168.8 | 0 | 0 | 0 | 109.8 | E83 C84 G92 K106 H108 Y169 | Y81-E83 HydrophobicContact CE2-CG 4.08Å; Y81-E83 VanDerWaalsContact CE2-OE1 3.25Å; Y81-E83 WeakPolarHBondContact CE2-OE1 3.45Å; Y81-E83 PolarHBondContact O-N 3.29Å; Y81-C84 HydrophobicContact CD1-CB 3.29Å; Y81-C84 HydrophobicContact CD2-CB 4.23Å; Y81-C84 HydrophobicContact CE1-CB 3.75Å; Y81-C84 HydrophobicContact CG-CB 3.53Å; Y81-C84 VanDerWaalsContact O-CB 3.29Å; Y81-C84 WeakPolarHBondContact O-CB 3.43Å; Y81-C84 PolarHBondContact O-N 3.25Å; Y81-G92 VanDerWaalsContact O-CA 3.28Å; Y81-G92 WeakPolarHBondContact O-CA 3.45Å; Y81-K106 WeakPolarHBondContact CA-O 3.47Å; Y81-K106 HydrophobicContact CD2-CD 4.26Å; Y81-K106 HydrophobicContact CD2-CG 4.12Å; Y81-K106 HydrophobicContact CG-CD 4.16Å; Y81-K106 HydrophobicContact CG-CG 4.47Å; Y81-H108 AromaticContact CE2-CD2 3.85Å; Y81-H108 AromaticContact CZ-CD2 3.63Å; Y81-H108 PolarHBondContact OH-CD2 2.99Å; Y81-H108 VanDerWaalsContact OH-CD2 3.26Å; Y81-Y169 WeakPolarHBondContact OH-CE2 3.48Å; Y81-Y169 VanDerWaalsContact OH-CZ 3.22Å; Y81-Y169 PolarHBondContact OH-OH 2.88Å |
| 82 | L | 98.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -42.3 | -62.1 | -165.4 | 177 | 70.4 | 0 | 0 | 0 | 114.3 | F34 P80 C84 I93 L96 V105 K106 L109 P115 F118 | F34-L82 HydrophobicContact CD1-CD1 4.05Å; F34-L82 HydrophobicContact CD2-CD1 4.17Å; F34-L82 HydrophobicContact CE1-CD1 4.25Å; F34-L82 HydrophobicContact CE2-CD1 4.35Å; F34-L82 HydrophobicContact CG-CD1 3.99Å; F34-L82 HydrophobicContact CZ-CD1 4.38Å; P80-L82 PolarHBondContact O-N 2.76Å; L82-C84 VanDerWaalsContact C-N 3.29Å; L82-C84 PolarHBondContact O-N 3.3Å; L82-I93 HydrophobicContact CD1-CD1 3.66Å; L82-I93 HydrophobicContact CG-CD1 4.37Å; L82-L96 HydrophobicContact CB-CD1 4.3Å; L82-L96 HydrophobicContact CD1-CD1 3.55Å; L82-V105 HydrophobicContact CB-CG1 3.86Å; L82-V105 HydrophobicContact CD1-CG1 4.22Å; L82-V105 HydrophobicContact CD2-CG1 4.48Å; L82-V105 HydrophobicContact CG-CG1 4.42Å; L82-K106 WeakPolarHBondContact CB-O 3.39Å; L82-K106 PolarHBondContact N-O 2.79Å; L82-L109 HydrophobicContact CD2-CD1 4.4Å; L82-P115 HydrophobicContact CD2-CG 4.07Å; L82-F118 HydrophobicContact CD1-CE2 4.3Å; L82-F118 HydrophobicContact CD1-CZ 4.37Å; L82-F118 HydrophobicContact CD2-CE2 3.84Å; L82-F118 HydrophobicContact CD2-CZ 4.45Å |
| 83 | E | 98.4 | Very high | 93.9 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.009 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -1.5 | -174 | 68.9 | -87.3 | -152.7 | 0 | 0 | 113.8 | F24 W28 V31 Y81 R85 T107 H108 L109 Y169 | F24-E83 WeakPolarHBondContact CB-O 3.34Å; F24-E83 HydrophobicContact CD2-CG 4.47Å; F24-E83 WeakPolarHBondContact CG-O 3.36Å; W28-E83 HydrophobicContact CZ3-CB 4.28Å; V31-E83 HydrophobicContact CG1-CB 4.32Å; V31-E83 HydrophobicContact CG2-CB 4.27Å; Y81-E83 HydrophobicContact CE2-CG 4.08Å; Y81-E83 VanDerWaalsContact CE2-OE1 3.25Å; Y81-E83 WeakPolarHBondContact CE2-OE1 3.45Å; Y81-E83 PolarHBondContact O-N 3.29Å; E83-R85 PolarHBondContact O-N 2.98Å; E83-T107 VanDerWaalsContact CD-OG1 3.25Å; E83-T107 PolarHBondContact OE1-OG1 2.78Å; E83-T107 WeakPolarHBondContact OE2-CA 3.04Å; E83-T107 VanDerWaalsContact OE2-CB 3.3Å; E83-T107 WeakPolarHBondContact OE2-CB 3.15Å; E83-T107 PolarHBondContact OE2-OG1 2.85Å; E83-H108 PolarHBondContact OE1-N 2.96Å; E83-L109 HydrophobicContact CB-CD1 4.31Å; E83-L109 HydrophobicContact CB-CD2 4.47Å; E83-L109 HydrophobicContact CB-CG 4.48Å; E83-L109 HydrophobicContact CG-CD2 4.14Å; E83-L109 HydrophobicContact CG-CG 4.22Å; E83-Y169 HydrophobicContact CG-CE1 4.3Å; E83-Y169 WeakPolarHBondContact CG-OH 3.44Å; E83-Y169 VanDerWaalsContact OE1-CE1 3.23Å; E83-Y169 WeakPolarHBondContact OE1-CE1 3.36Å; E83-Y169 PolarHBondContact OE1-OH 3Å; E83-Y169 VanDerWaalsContact OE1-OH 3.13Å |
| 84 | C | 97.1 | Very high | 93.9 | Very high | 15 Ų | 15 | 40.5 Ų | 40.5 | 10% | 0.101 | 20% | 0.198 | C | C | . | . | trans | -78 | 121.4 | -175.5 | -168.6 | 0 | 0 | 0 | 0 | 111.3 | F24 Y81 L82 I90 G92 | F24-C84 HydrophobicContact CE1-CB 4.44Å; F24-C84 HydrophobicContact CZ-CB 4.4Å; Y81-C84 HydrophobicContact CD1-CB 3.29Å; Y81-C84 HydrophobicContact CD2-CB 4.23Å; Y81-C84 HydrophobicContact CE1-CB 3.75Å; Y81-C84 HydrophobicContact CG-CB 3.53Å; Y81-C84 VanDerWaalsContact O-CB 3.29Å; Y81-C84 WeakPolarHBondContact O-CB 3.43Å; Y81-C84 PolarHBondContact O-N 3.25Å; L82-C84 VanDerWaalsContact C-N 3.29Å; L82-C84 PolarHBondContact O-N 3.3Å; C84-I90 HydrophobicContact CB-CG2 4.37Å; C84-G92 PolarHBondContact O-N 3.35Å | ||
| 85 | R | 93.4 | Very high | 93.9 | Very high | 42 Ų | 42 | 42.6 Ų | 42.6 | 16% | 0.158 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 126.9 | 174.2 | -169.3 | 67.6 | 152.7 | 139.5 | -1.6 | 109.4 | F24 Y27 E83 E87 I90 N91 | F24-R85 WeakPolarHBondContact CD1-O 3.36Å; F24-R85 WeakPolarHBondContact CE1-O 3.28Å; Y27-R85 HydrophobicContact CD2-CG 3.77Å; Y27-R85 HydrophobicContact CE2-CG 4.28Å; E83-R85 PolarHBondContact O-N 2.98Å; R85-E87 VanDerWaalsContact CZ-O 3.3Å; R85-E87 PolarHBondContact NH1-O 3.22Å; R85-I90 CarbonylContact C-O 3.41Å; R85-I90 WeakPolarHBondContact CA-O 3.41Å; R85-I90 WeakPolarHBondContact CD-O 3.35Å; R85-N91 PolarHBondContact NE-ND2 3.3Å; R85-N91 VanDerWaalsContact NH1-CB 3.34Å; R85-N91 PolarHBondContact NH1-ND2 2.96Å; R85-N91 PolarHBondContact NH2-ND2 2.89Å |
| 86 | N | 87.5 | Confident | 93.9 | Very high | 51 Ų | 51 | 42.3 Ų | 42.3 | 27% | 0.273 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 88.3 | 167.6 | -174.3 | -9.3 | 0 | 0 | 0 | 107.5 | D88 L89 I90 | N86-D88 PolarHBondContact O-N 3.4Å; N86-L89 PolarHBondContact O-N 3.1Å; N86-I90 HydrophobicContact CB-CB 4.3Å; N86-I90 PolarHBondContact N-O 3.37Å; N86-I90 PolarHBondContact O-N 3.32Å |
| 87 | E | 79.9 | Confident | 93.9 | Very high | 127 Ų | 127 | 46.1 Ų | 46.1 | 59% | 0.593 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 41.7 | -127.1 | -173.7 | -59.4 | -170.3 | 160.5 | 0 | 0 | 110.9 | R85 | R85-E87 VanDerWaalsContact CZ-O 3.3Å; R85-E87 PolarHBondContact NH1-O 3.22Å |
| 88 | D | 74.5 | Confident | 93.9 | Very high | 153 Ų | 153 | 50 Ų | 50 | 82% | 0.818 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -7 | -179.8 | -67 | -35.8 | 0 | 0 | 0 | 114.3 | N86 | N86-D88 PolarHBondContact O-N 3.4Š|
| 89 | L | 78.7 | Confident | 93.9 | Very high | 121 Ų | 121 | 53 Ų | 53 | 63% | 0.634 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -35.4 | -172.3 | -171.2 | 47.1 | 0 | 0 | 0 | 112.7 | N86 M247 | N86-L89 PolarHBondContact O-N 3.1Å; L89-M247 HydrophobicContact CB-CE 4.43Å; L89-M247 HydrophobicContact CD1-CE 4.25Å; L89-M247 HydrophobicContact CD2-CE 2.97Å; L89-M247 HydrophobicContact CG-CE 3.33Å |
| 90 | I | 88.6 | Confident | 93.9 | Very high | 40 Ų | 40 | 60.7 Ų | 60.7 | 21% | 0.205 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 128.8 | 174 | -57.6 | 177.1 | 0 | 0 | 0 | 109 | C84 R85 N86 M247 | C84-I90 HydrophobicContact CB-CG2 4.37Å; R85-I90 CarbonylContact C-O 3.41Å; R85-I90 WeakPolarHBondContact CA-O 3.41Å; R85-I90 WeakPolarHBondContact CD-O 3.35Å; N86-I90 HydrophobicContact CB-CB 4.3Å; N86-I90 PolarHBondContact N-O 3.37Å; N86-I90 PolarHBondContact O-N 3.32Å; I90-M247 HydrophobicContact CD1-CE 4.35Å; I90-M247 HydrophobicContact CD1-SD 4.03Å |
| 91 | N | 96.5 | Very high | 93.9 | Very high | 21 Ų | 21 | 63.1 Ų | 63.1 | 11% | 0.112 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 100.8 | 173.4 | -174.8 | -20.1 | 0 | 0 | 0 | 110.6 | R85 I93 K94 Q95 | R85-N91 PolarHBondContact NE-ND2 3.3Å; R85-N91 VanDerWaalsContact NH1-CB 3.34Å; R85-N91 PolarHBondContact NH1-ND2 2.96Å; R85-N91 PolarHBondContact NH2-ND2 2.89Å; N91-I93 PolarHBondContact O-N 3.27Å; N91-I93 PolarHBondContact OD1-N 3.32Å; N91-I93 VanDerWaalsContact OD1-N 3.11Å; N91-K94 HydrophobicContact CB-CB 3.87Å; N91-K94 WeakPolarHBondContact ND2-CB 3.3Å; N91-K94 PolarHBondContact OD1-N 2.77Å; N91-Q95 VanDerWaalsContact O-CG 3.29Å; N91-Q95 WeakPolarHBondContact O-CG 3.26Å; N91-Q95 PolarHBondContact O-N 2.97Å; N91-Q95 VanDerWaalsContact O-N 3.11Å; N91-Q95 PolarHBondContact O-NE2 3.21Å |
| 92 | G | 98 | Very high | 93.8 | Very high | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.4 | -44.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y81 C84 Q95 L96 | Y81-G92 VanDerWaalsContact O-CA 3.28Å; Y81-G92 WeakPolarHBondContact O-CA 3.45Å; C84-G92 PolarHBondContact O-N 3.35Å; G92-Q95 PolarHBondContact O-N 2.94Å; G92-L96 WeakPolarHBondContact O-CB 3.47Å; G92-L96 VanDerWaalsContact O-CG 3.29Å; G92-L96 WeakPolarHBondContact O-CG 3.42Å; G92-L96 PolarHBondContact O-N 3.05Å |
| 93 | I | 98.1 | Very high | 93.8 | Very high | 6 Ų | 6 | 64.8 Ų | 64.8 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.2 | -47.3 | -179.5 | -60.9 | -63.8 | 0 | 0 | 0 | 111.7 | D30 V31 F34 L82 N91 L96 K97 | D30-I93 HydrophobicContact CB-CG1 4.26Å; D30-I93 HydrophobicContact CB-CG2 4.29Å; V31-I93 HydrophobicContact CB-CD1 4.46Å; V31-I93 HydrophobicContact CG2-CD1 4.16Å; V31-I93 HydrophobicContact CG2-CG1 4.13Å; F34-I93 HydrophobicContact CB-CD1 4.07Å; F34-I93 HydrophobicContact CD2-CD1 3.56Å; F34-I93 HydrophobicContact CD2-CG2 4.23Å; F34-I93 HydrophobicContact CE2-CD1 4.33Å; F34-I93 HydrophobicContact CG-CD1 4.07Å; L82-I93 HydrophobicContact CD1-CD1 3.66Å; L82-I93 HydrophobicContact CG-CD1 4.37Å; N91-I93 PolarHBondContact O-N 3.27Å; N91-I93 PolarHBondContact OD1-N 3.32Å; N91-I93 VanDerWaalsContact OD1-N 3.11Å; I93-L96 PolarHBondContact O-N 3.37Å; I93-K97 HydrophobicContact CG2-CD 4.09Å; I93-K97 WeakPolarHBondContact O-CG 3.33Å; I93-K97 PolarHBondContact O-N 3.1Å |
| 94 | K | 97.6 | Very high | 93.9 | Very high | 111 Ų | 111 | 65.1 Ų | 65.1 | 48% | 0.483 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.3 | -48.7 | 177.6 | 179.8 | -179.8 | 175 | -174.4 | 0 | 111.1 | N91 L96 K97 E98 | N91-K94 HydrophobicContact CB-CB 3.87Å; N91-K94 WeakPolarHBondContact ND2-CB 3.3Å; N91-K94 PolarHBondContact OD1-N 2.77Å; K94-L96 VanDerWaalsContact C-N 3.28Å; K94-L96 PolarHBondContact O-N 3.27Å; K94-K97 PolarHBondContact O-N 3.45Å; K94-K97 VanDerWaalsContact O-N 3.13Å; K94-E98 WeakPolarHBondContact CE-OE1 3.48Å; K94-E98 WeakPolarHBondContact CG-OE1 3.32Å; K94-E98 WeakPolarHBondContact O-CG 3.36Å; K94-E98 PolarHBondContact O-N 2.81Å |
| 95 | Q | 98.1 | Very high | 93.9 | Very high | 45 Ų | 45 | 64.4 Ų | 64.4 | 21% | 0.21 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -56 | -44.2 | 177.3 | -74 | 172.3 | 84.6 | 0 | 0 | 111.5 | F76 P80 N91 G92 E98 K99 | F76-Q95 PolarHBondContact O-OE1 2.99Å; P80-Q95 HydrophobicContact CB-CB 3.91Å; P80-Q95 HydrophobicContact CG-CB 3.89Å; N91-Q95 VanDerWaalsContact O-CG 3.29Å; N91-Q95 WeakPolarHBondContact O-CG 3.26Å; N91-Q95 PolarHBondContact O-N 2.97Å; N91-Q95 VanDerWaalsContact O-N 3.11Å; N91-Q95 PolarHBondContact O-NE2 3.21Å; G92-Q95 PolarHBondContact O-N 2.94Å; Q95-E98 PolarHBondContact O-N 3.21Å; Q95-K99 WeakPolarHBondContact O-CB 3.46Å; Q95-K99 PolarHBondContact O-N 2.95Å |
| 96 | L | 98.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.9 | -33.7 | 178.8 | -72.2 | 167.4 | 0 | 0 | 0 | 113.5 | F34 P80 L82 G92 I93 K94 E98 R103 V105 | F34-L96 HydrophobicContact CE2-CB 3.62Å; F34-L96 HydrophobicContact CE2-CD1 3.97Å; F34-L96 HydrophobicContact CE2-CG 4.44Å; F34-L96 HydrophobicContact CZ-CB 3.76Å; F34-L96 HydrophobicContact CZ-CD1 3.87Å; F34-L96 HydrophobicContact CZ-CG 4.35Å; P80-L96 HydrophobicContact CB-CD1 4.4Å; P80-L96 HydrophobicContact CB-CD2 3.8Å; P80-L96 HydrophobicContact CB-CG 3.7Å; P80-L96 HydrophobicContact CG-CD2 3.82Å; P80-L96 HydrophobicContact CG-CG 4.12Å; L82-L96 HydrophobicContact CB-CD1 4.3Å; L82-L96 HydrophobicContact CD1-CD1 3.55Å; G92-L96 WeakPolarHBondContact O-CB 3.47Å; G92-L96 VanDerWaalsContact O-CG 3.29Å; G92-L96 WeakPolarHBondContact O-CG 3.42Å; G92-L96 PolarHBondContact O-N 3.05Å; I93-L96 PolarHBondContact O-N 3.37Å; K94-L96 VanDerWaalsContact C-N 3.28Å; K94-L96 PolarHBondContact O-N 3.27Å; L96-E98 VanDerWaalsContact C-N 3.33Å; L96-R103 HydrophobicContact CD2-CB 4.48Å; L96-R103 VanDerWaalsContact O-CD 3.3Å; L96-R103 WeakPolarHBondContact O-CD 3.44Å; L96-R103 PolarHBondContact O-NH1 2.8Å; L96-V105 HydrophobicContact CD1-CG1 3.93Å; L96-V105 HydrophobicContact CD1-CG2 4.49Å; L96-V105 HydrophobicContact CD2-CG2 3.83Å |
| 97 | K | 97.8 | Very high | 94.8 | Very high | 123 Ų | 123 | 61.3 Ų | 61.3 | 54% | 0.535 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.8 | -39.6 | 174.8 | -76.8 | 174.4 | 178.3 | 175.3 | 0 | 111.1 | I93 K94 | I93-K97 HydrophobicContact CG2-CD 4.09Å; I93-K97 WeakPolarHBondContact O-CG 3.33Å; I93-K97 PolarHBondContact O-N 3.1Å; K94-K97 PolarHBondContact O-N 3.45Å; K94-K97 VanDerWaalsContact O-N 3.13Å |
| 98 | E | 97.4 | Very high | 95.7 | Very high | 135 Ų | 135 | 55.8 Ų | 55.8 | 63% | 0.631 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -81.5 | -19.5 | -178.3 | -67.8 | 169.2 | 176.4 | 0 | 0 | 113.3 | K94 Q95 L96 | K94-E98 WeakPolarHBondContact CE-OE1 3.48Å; K94-E98 WeakPolarHBondContact CG-OE1 3.32Å; K94-E98 WeakPolarHBondContact O-CG 3.36Å; K94-E98 PolarHBondContact O-N 2.81Å; Q95-E98 PolarHBondContact O-N 3.21Å; L96-E98 VanDerWaalsContact C-N 3.33Å |
| 99 | K | 97.6 | Very high | 96.8 | Very high | 75 Ų | 75 | 48.5 Ų | 48.5 | 33% | 0.326 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -76.9 | 136.5 | -177.9 | -146.5 | 168.9 | -171.2 | 83.8 | 0 | 112.6 | R37 N77 R78 P80 Q95 R103 | R37-K99 PolarHBondContact NH1-O 3.02Å; R37-K99 PolarHBondContact NH2-O 2.89Å; N77-K99 PolarHBondContact O-NZ 2.69Å; R78-K99 WeakPolarHBondContact O-CE 3.5Å; R78-K99 PolarHBondContact O-NZ 2.8Å; P80-K99 HydrophobicContact CG-CD 4.11Å; Q95-K99 WeakPolarHBondContact O-CB 3.46Å; Q95-K99 PolarHBondContact O-N 2.95Å; K99-R103 HydrophobicContact CB-CG 4.42Å |
| 100 | E | 97.9 | Very high | 97.8 | Very high | 169 Ų | 169 | 43.2 Ų | 43.2 | 79% | 0.79 | 21% | 0.211 | S | C | * | . | P | Polyproline II helix | trans | -67.8 | 155.8 | 171.3 | -64.1 | -172.9 | 163.9 | 0 | 0 | 111.3 | R103 | E100-R103 WeakPolarHBondContact O-CG 3.44Š|
| 101 | S | 98.3 | Very high | 98.2 | Very high | 51 Ų | 51 | 41.6 Ų | 41.6 | 36% | 0.357 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -80 | 151.4 | 173.3 | -94.2 | 0 | 0 | 0 | 0 | 110.7 | R37 D39 | R37-S101 WeakPolarHBondContact CD-OG 3.3Å; R37-S101 VanDerWaalsContact NH1-N 3.13Å; R37-S101 PolarHBondContact NH1-OG 2.72Å; D39-S101 PolarHBondContact OD1-OG 2.93Å; D39-S101 VanDerWaalsContact OD1-OG 3.1Å; D39-S101 WeakPolarHBondContact OD2-CB 3.43Å; D39-S101 PolarHBondContact OD2-OG 2.85Å |
| 102 | P | 98 | Very high | 98.3 | Very high | 67 Ų | 67 | 47 Ų | 47 | 44% | 0.435 | 23% | 0.226 | S | C | . | . | S | Bend | cis | -79.2 | 140.5 | -2.3 | 32.2 | -35.7 | 0 | 0 | 0 | 112.4 | D39 Y62 | D39-P102 WeakPolarHBondContact OD2-CA 3.45Å; Y62-P102 HydrophobicContact CD1-CB 4.45Å; Y62-P102 HydrophobicContact CD1-CG 3.73Å; Y62-P102 HydrophobicContact CE1-CB 3.76Å; Y62-P102 HydrophobicContact CE1-CG 3.49Å; Y62-P102 VanDerWaalsContact CE1-CG 3.49Å |
| 103 | R | 98.8 | Very high | 98.3 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 2% | 0.019 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -97.7 | 134.3 | -179 | -52.6 | -179.3 | -66.3 | -172.9 | 3.2 | 111.2 | S35 D40 L41 L96 K99 E100 V105 | S35-R103 PolarHBondContact O-NH2 3.19Å; S35-R103 VanDerWaalsContact O-NH2 3.12Å; D40-R103 WeakPolarHBondContact OD1-CB 3.41Å; D40-R103 IonicContact OD1-CZ 2.68Å; D40-R103 IonicContact OD1-NE 3.24Å; D40-R103 PolarHBondContact OD1-NE 2.77Å; D40-R103 IonicContact OD1-NH2 2.73Å; D40-R103 PolarHBondContact OD1-NH2 2.97Å; D40-R103 IonicContact OD2-CZ 2.7Å; D40-R103 IonicContact OD2-NE 2.81Å; D40-R103 IonicContact OD2-NH2 2.73Å; D40-R103 PolarHBondContact OD2-NH2 3.13Å; L41-R103 PolarHBondContact N-O 2.92Å; L96-R103 HydrophobicContact CD2-CB 4.48Å; L96-R103 VanDerWaalsContact O-CD 3.3Å; L96-R103 WeakPolarHBondContact O-CD 3.44Å; L96-R103 PolarHBondContact O-NH1 2.8Å; K99-R103 HydrophobicContact CB-CG 4.42Å; E100-R103 WeakPolarHBondContact O-CG 3.44Å; R103-V105 HydrophobicContact CB-CG2 4.41Å |
| 104 | I | 98.8 | Very high | 98.4 | Very high | 9 Ų | 9 | 47.9 Ų | 47.9 | 5% | 0.046 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 125.7 | 164.4 | -50.3 | 163.7 | 0 | 0 | 0 | 107.4 | L41 V43 V58 D59 Y62 I79 | L41-I104 CarbonylContact O-C 3.5Å; L41-I104 WeakPolarHBondContact O-CA 3.39Å; V43-I104 HydrophobicContact CG2-CG2 3.97Å; V58-I104 HydrophobicContact CG1-CD1 3.83Å; V58-I104 HydrophobicContact CG1-CG1 4.15Å; V58-I104 HydrophobicContact CG1-CG2 4.07Å; D59-I104 HydrophobicContact CB-CD1 4.28Å; Y62-I104 HydrophobicContact CD2-CD1 4.2Å; Y62-I104 HydrophobicContact CG-CD1 4.21Å; I79-I104 HydrophobicContact CD1-CG2 4.18Å; I79-I104 HydrophobicContact CG1-CB 4.22Å; I79-I104 HydrophobicContact CG1-CD1 4.47Å; I79-I104 HydrophobicContact CG1-CG2 4.18Å; I79-I104 HydrophobicContact CG2-CB 4.14Å; I79-I104 HydrophobicContact CG2-CG2 3.71Å |
| 105 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 119.4 | -173.8 | -174.7 | 0 | 0 | 0 | 0 | 109.4 | L41 L42 V43 L82 L96 R103 F118 | L41-V105 PolarHBondContact O-N 3.44Å; L42-V105 CarbonylContact C-O 3.52Å; L42-V105 WeakPolarHBondContact CA-O 3.33Å; L42-V105 HydrophobicContact CG-CB 4.39Å; V43-V105 PolarHBondContact N-O 3.23Å; L82-V105 HydrophobicContact CB-CG1 3.86Å; L82-V105 HydrophobicContact CD1-CG1 4.22Å; L82-V105 HydrophobicContact CD2-CG1 4.48Å; L82-V105 HydrophobicContact CG-CG1 4.42Å; L96-V105 HydrophobicContact CD1-CG1 3.93Å; L96-V105 HydrophobicContact CD1-CG2 4.49Å; L96-V105 HydrophobicContact CD2-CG2 3.83Å; R103-V105 HydrophobicContact CB-CG2 4.41Å; V105-F118 HydrophobicContact CG1-CZ 4.13Å; V105-F118 HydrophobicContact CG2-CE1 4.37Å; V105-F118 HydrophobicContact CG2-CZ 4.37Å |
| 106 | K | 98.9 | Very high | 98.4 | Very high | 28 Ų | 28 | 43.1 Ų | 43.1 | 12% | 0.122 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 137.9 | 171.4 | 170.4 | -173.4 | 168.7 | -170.7 | 0 | 109.8 | V43 I79 P80 Y81 L82 H108 | V43-K106 WeakPolarHBondContact O-CA 3.38Å; I79-K106 HydrophobicContact CG2-CB 3.85Å; P80-K106 PolarHBondContact O-N 2.83Å; Y81-K106 WeakPolarHBondContact CA-O 3.47Å; Y81-K106 HydrophobicContact CD2-CD 4.26Å; Y81-K106 HydrophobicContact CD2-CG 4.12Å; Y81-K106 HydrophobicContact CG-CD 4.16Å; Y81-K106 HydrophobicContact CG-CG 4.47Å; L82-K106 WeakPolarHBondContact CB-O 3.39Å; L82-K106 PolarHBondContact N-O 2.79Å; K106-H108 WeakPolarHBondContact CE-NE2 3.43Å |
| 107 | T | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 155.7 | 167.8 | -175.7 | 0 | 0 | 0 | 0 | 112.3 | V43 V44 T45 E83 L109 L114 | V43-T107 PolarHBondContact O-N 3.26Å; V44-T107 WeakPolarHBondContact CA-O 3.46Å; V44-T107 HydrophobicContact CB-CG2 4.33Å; V44-T107 HydrophobicContact CG1-CG2 4.19Å; V44-T107 HydrophobicContact CG2-CG2 3.69Å; T45-T107 PolarHBondContact N-O 3.2Å; E83-T107 VanDerWaalsContact CD-OG1 3.25Å; E83-T107 PolarHBondContact OE1-OG1 2.78Å; E83-T107 WeakPolarHBondContact OE2-CA 3.04Å; E83-T107 VanDerWaalsContact OE2-CB 3.3Å; E83-T107 WeakPolarHBondContact OE2-CB 3.15Å; E83-T107 PolarHBondContact OE2-OG1 2.85Å; T107-L109 VanDerWaalsContact OG1-CG 3.31Å; T107-L109 WeakPolarHBondContact OG1-CG 3.33Å; T107-L109 PolarHBondContact OG1-N 3.46Å; T107-L109 VanDerWaalsContact OG1-N 3.17Å; T107-L114 HydrophobicContact CG2-CD1 3.95Å |
| 108 | H | 98.9 | Very high | 98.5 | Very high | 12 Ų | 12 | 38 Ų | 38 | 6% | 0.056 | 20% | 0.199 | C | C | . | . | trans | -112.6 | 9.7 | 172.2 | -69.4 | -45.8 | 0 | 0 | 0 | 112.4 | T45 P47 Y81 E83 K106 Y169 H175 | T45-H108 VanDerWaalsContact O-CA 3.32Å; T45-H108 WeakPolarHBondContact O-CA 3.41Å; T45-H108 PolarHBondContact O-ND1 2.97Å; T45-H108 PolarHBondContact OG1-CE1 2.91Å; T45-H108 PolarHBondContact OG1-ND1 3.37Å; P47-H108 HydrophobicContact CG-CB 4.22Å; Y81-H108 AromaticContact CE2-CD2 3.85Å; Y81-H108 AromaticContact CZ-CD2 3.63Å; Y81-H108 PolarHBondContact OH-CD2 2.99Å; Y81-H108 VanDerWaalsContact OH-CD2 3.26Å; E83-H108 PolarHBondContact OE1-N 2.96Å; K106-H108 WeakPolarHBondContact CE-NE2 3.43Å; H108-Y169 VanDerWaalsContact C-CD1 3.43Å; H108-Y169 HydrophobicContact CB-CD1 3.66Å; H108-Y169 HydrophobicContact CB-CD2 3.89Å; H108-Y169 HydrophobicContact CB-CE1 3.52Å; H108-Y169 HydrophobicContact CB-CE2 3.75Å; H108-Y169 HydrophobicContact CB-CG 3.84Å; H108-Y169 WeakPolarHBondContact O-CD1 3.37Å; H108-H175 PolarHBondContact O-NE2 3.09Å | ||
| 109 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -68.7 | 138.6 | -177 | -65.2 | 174.5 | 0 | 0 | 0 | 112.9 | M20 W28 V31 L82 E83 T107 L113 Y169 H175 W179 | M20-L109 HydrophobicContact CE-CD2 3.81Å; W28-L109 HydrophobicContact CH2-CD1 3.73Å; W28-L109 HydrophobicContact CH2-CD2 3.54Å; W28-L109 HydrophobicContact CH2-CG 4.29Å; W28-L109 HydrophobicContact CZ3-CD1 4.5Å; W28-L109 HydrophobicContact CZ3-CD2 4.05Å; V31-L109 HydrophobicContact CG1-CD1 4.29Å; L82-L109 HydrophobicContact CD2-CD1 4.4Å; E83-L109 HydrophobicContact CB-CD1 4.31Å; E83-L109 HydrophobicContact CB-CD2 4.47Å; E83-L109 HydrophobicContact CB-CG 4.48Å; E83-L109 HydrophobicContact CG-CD2 4.14Å; E83-L109 HydrophobicContact CG-CG 4.22Å; T107-L109 VanDerWaalsContact OG1-CG 3.31Å; T107-L109 WeakPolarHBondContact OG1-CG 3.33Å; T107-L109 PolarHBondContact OG1-N 3.46Å; T107-L109 VanDerWaalsContact OG1-N 3.17Å; L109-L113 HydrophobicContact CB-CB 4.33Å; L109-L113 HydrophobicContact CD2-CB 4.17Å; L109-L113 HydrophobicContact CD2-CD1 4.43Å; L109-Y169 HydrophobicContact CD2-CD1 4.45Å; L109-Y169 HydrophobicContact CD2-CE1 4Å; L109-H175 PolarHBondContact O-NE2 3.38Å; L109-W179 PolarHBondContact O-NE1 2.91Å; L109-W179 VanDerWaalsContact O-NE1 3.1Å | ||
| 110 | P | 98.6 | Very high | 98.6 | Very high | 9 Ų | 9 | 38.9 Ų | 38.9 | 6% | 0.058 | 20% | 0.201 | C | C | . | . | trans | -64.3 | 153.3 | 165 | 28.7 | -33.3 | 0 | 0 | 0 | 109.7 | V18 K112 L113 L114 | V18-P110 HydrophobicContact CG1-CG 4.45Å; V18-P110 HydrophobicContact CG2-CG 4.05Å; P110-K112 HydrophobicContact CG-CG 4.36Å; P110-K112 PolarHBondContact O-N 2.8Å; P110-L113 HydrophobicContact CG-CB 4.25Å; P110-L113 HydrophobicContact CG-CD1 3.98Å; P110-L113 HydrophobicContact CG-CG 4.01Å; P110-L113 PolarHBondContact O-N 2.82Å; P110-L114 PolarHBondContact O-N 3.31Å | ||
| 111 | A | 98.1 | Very high | 98.6 | Very high | 7 Ų | 7 | 35.4 Ų | 35.4 | 6% | 0.058 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -54.1 | -30.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L113 L114 W119 W179 K182 | A111-L113 VanDerWaalsContact C-N 3.29Å; A111-L113 PolarHBondContact O-N 2.8Å; A111-L114 PolarHBondContact O-N 3.34Å; A111-W119 HydrophobicContact CB-CZ2 4.28Å; A111-W179 HydrophobicContact CB-CD2 4.21Å; A111-W179 HydrophobicContact CB-CZ2 4.12Å; A111-K182 HydrophobicContact CB-CG 3.94Å |
| 112 | K | 97.9 | Very high | 98.6 | Very high | 134 Ų | 134 | 36.9 Ų | 36.9 | 58% | 0.583 | 19% | 0.187 | S | C | * | . | G | 310 helix | trans | -69.8 | -20.1 | 178 | 68.8 | 171.1 | 178.5 | 170.8 | 0 | 114.6 | H16 G17 P110 | H16-K112 PolarHBondContact O-NZ 3.36Å; G17-K112 PolarHBondContact O-NZ 2.7Å; P110-K112 HydrophobicContact CG-CG 4.36Å; P110-K112 PolarHBondContact O-N 2.8Å |
| 113 | L | 98.6 | Very high | 98.6 | Very high | 16 Ų | 16 | 33.9 Ų | 33.9 | 8% | 0.084 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -104.7 | -4.3 | 180 | -65.1 | -173.6 | 0 | 0 | 0 | 112.8 | F15 H16 V18 W28 L109 P110 A111 | F15-L113 HydrophobicContact CD1-CD1 4.43Å; H16-L113 HydrophobicContact CB-CD2 4.06Å; V18-L113 HydrophobicContact CB-CD1 4.12Å; V18-L113 HydrophobicContact CG1-CD1 4.46Å; V18-L113 HydrophobicContact CG2-CD1 3.91Å; W28-L113 HydrophobicContact CH2-CB 4.25Å; W28-L113 HydrophobicContact CZ2-CB 4.1Å; L109-L113 HydrophobicContact CB-CB 4.33Å; L109-L113 HydrophobicContact CD2-CB 4.17Å; L109-L113 HydrophobicContact CD2-CD1 4.43Å; P110-L113 HydrophobicContact CG-CB 4.25Å; P110-L113 HydrophobicContact CG-CD1 3.98Å; P110-L113 HydrophobicContact CG-CG 4.01Å; P110-L113 PolarHBondContact O-N 2.82Å; A111-L113 VanDerWaalsContact C-N 3.29Å; A111-L113 PolarHBondContact O-N 2.8Å |
| 114 | L | 98.7 | Very high | 98.6 | Very high | 9 Ų | 9 | 34.9 Ų | 34.9 | 5% | 0.047 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -67.3 | 134.6 | 178.8 | -168.7 | 76.3 | 0 | 0 | 0 | 110.3 | L42 T107 P110 A111 A116 F118 W119 I125 W179 | L42-L114 HydrophobicContact CD2-CD1 3.74Å; L42-L114 HydrophobicContact CD2-CD2 3.82Å; L42-L114 HydrophobicContact CD2-CG 4.3Å; T107-L114 HydrophobicContact CG2-CD1 3.95Å; P110-L114 PolarHBondContact O-N 3.31Å; A111-L114 PolarHBondContact O-N 3.34Å; L114-A116 PolarHBondContact O-N 2.96Å; L114-F118 HydrophobicContact CD1-CD2 4.23Å; L114-F118 HydrophobicContact CD2-CB 4.04Å; L114-F118 HydrophobicContact CD2-CD2 4.4Å; L114-F118 HydrophobicContact CG-CD2 4.08Å; L114-W119 HydrophobicContact CB-CZ2 3.89Å; L114-W119 HydrophobicContact CD2-CD2 4.26Å; L114-W119 HydrophobicContact CD2-CH2 3.82Å; L114-W119 HydrophobicContact CD2-CZ2 3.33Å; L114-W119 HydrophobicContact CD2-CZ3 4.44Å; L114-W119 HydrophobicContact CG-CZ2 4.23Å; L114-I125 HydrophobicContact CD2-CD1 4.31Å; L114-W179 HydrophobicContact CD2-CH2 3.99Å; L114-W179 HydrophobicContact CD2-CZ2 4.5Å |
| 115 | P | 98.7 | Very high | 98.6 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | trans | -53.4 | 133.9 | -179.4 | -28.7 | 36.3 | 0 | 0 | 0 | 112.8 | V31 F34 L82 S117 F118 | V31-P115 HydrophobicContact CG1-CG 4.04Å; V31-P115 WeakPolarHBondContact O-CB 3.47Å; V31-P115 WeakPolarHBondContact O-CG 3.49Å; F34-P115 HydrophobicContact CB-CB 4.29Å; F34-P115 HydrophobicContact CB-CG 4.3Å; L82-P115 HydrophobicContact CD2-CG 4.07Å; P115-S117 PolarHBondContact O-N 3.02Å; P115-S117 VanDerWaalsContact O-N 3.1Å; P115-F118 HydrophobicContact CB-CD2 3.97Å; P115-F118 HydrophobicContact CB-CE2 4.21Å; P115-F118 HydrophobicContact CG-CD2 4.17Å; P115-F118 HydrophobicContact CG-CE2 4.06Å; P115-F118 PolarHBondContact O-N 3.08Å; P115-F118 VanDerWaalsContact O-N 3.14Å | ||
| 116 | A | 98.5 | Very high | 98.6 | Very high | 53 Ų | 53 | 34.5 Ų | 34.5 | 44% | 0.438 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -55.1 | -35.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L114 F118 W119 E120 | L114-A116 PolarHBondContact O-N 2.96Å; A116-F118 PolarHBondContact O-N 3.43Å; A116-W119 WeakPolarHBondContact O-CB 3.49Å; A116-W119 PolarHBondContact O-N 2.98Å; A116-E120 WeakPolarHBondContact O-CG 3.35Å; A116-E120 PolarHBondContact O-N 3.03Å |
| 117 | S | 98.7 | Very high | 98.6 | Very high | 15 Ų | 15 | 33.2 Ų | 33.2 | 11% | 0.105 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -55.6 | -35.3 | -178.6 | -162.1 | 0 | 0 | 0 | 0 | 113.3 | F34 A36 P115 W119 E120 K121 | F34-S117 WeakPolarHBondContact O-CB 3.11Å; A36-S117 PolarHBondContact N-OG 2.97Å; P115-S117 PolarHBondContact O-N 3.02Å; P115-S117 VanDerWaalsContact O-N 3.1Å; S117-W119 VanDerWaalsContact C-N 3.31Å; S117-W119 PolarHBondContact O-N 3.49Å; S117-E120 PolarHBondContact O-N 2.89Å; S117-K121 WeakPolarHBondContact O-CB 3.42Å; S117-K121 VanDerWaalsContact O-CG 3.23Å; S117-K121 WeakPolarHBondContact O-CG 3.48Å; S117-K121 PolarHBondContact O-N 3.1Å |
| 118 | F | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 0% | 0.004 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.2 | -35.9 | 177.4 | -70.9 | -65.2 | 0 | 0 | 0 | 112.6 | F34 A36 D40 L42 L82 V105 L114 P115 A116 N122 C123 | F34-F118 HydrophobicContact CD1-CE1 4.41Å; F34-F118 AromaticContact CD1-CE2 3.72Å; F34-F118 HydrophobicContact CD1-CE2 3.72Å; F34-F118 AromaticContact CD1-CZ 3.59Å; F34-F118 HydrophobicContact CD1-CZ 3.59Å; F34-F118 AromaticContact CE1-CE1 3.96Å; F34-F118 HydrophobicContact CE1-CE1 3.96Å; F34-F118 AromaticContact CE1-CE2 4Å; F34-F118 HydrophobicContact CE1-CE2 4Å; F34-F118 AromaticContact CE1-CZ 3.35Å; F34-F118 HydrophobicContact CE1-CZ 3.35Å; F34-F118 HydrophobicContact CZ-CZ 4.45Å; A36-F118 HydrophobicContact CB-CB 4.47Å; A36-F118 HydrophobicContact CB-CD1 3.36Å; A36-F118 HydrophobicContact CB-CE1 3.68Å; A36-F118 HydrophobicContact CB-CG 3.9Å; A36-F118 HydrophobicContact CB-CZ 4.43Å; D40-F118 HydrophobicContact CB-CE1 4.13Å; L42-F118 HydrophobicContact CD1-CD1 3.46Å; L42-F118 VanDerWaalsContact CD1-CD1 3.46Å; L42-F118 HydrophobicContact CD1-CE1 3.75Å; L42-F118 HydrophobicContact CD1-CG 4.1Å; L42-F118 HydrophobicContact CD2-CB 4.26Å; L42-F118 HydrophobicContact CD2-CD1 3.94Å; L42-F118 HydrophobicContact CD2-CD2 3.99Å; L42-F118 HydrophobicContact CD2-CE1 4.19Å; L42-F118 HydrophobicContact CD2-CE2 4.24Å; L42-F118 HydrophobicContact CD2-CG 3.81Å; L42-F118 HydrophobicContact CD2-CZ 4.33Å; L42-F118 HydrophobicContact CG-CD1 4.04Å; L42-F118 HydrophobicContact CG-CE1 4.05Å; L42-F118 HydrophobicContact CG-CG 4.43Å; L42-F118 HydrophobicContact CG-CZ 4.44Å; L82-F118 HydrophobicContact CD1-CE2 4.3Å; L82-F118 HydrophobicContact CD1-CZ 4.37Å; L82-F118 HydrophobicContact CD2-CE2 3.84Å; L82-F118 HydrophobicContact CD2-CZ 4.45Å; V105-F118 HydrophobicContact CG1-CZ 4.13Å; V105-F118 HydrophobicContact CG2-CE1 4.37Å; V105-F118 HydrophobicContact CG2-CZ 4.37Å; L114-F118 HydrophobicContact CD1-CD2 4.23Å; L114-F118 HydrophobicContact CD2-CB 4.04Å; L114-F118 HydrophobicContact CD2-CD2 4.4Å; L114-F118 HydrophobicContact CG-CD2 4.08Å; P115-F118 HydrophobicContact CB-CD2 3.97Å; P115-F118 HydrophobicContact CB-CE2 4.21Å; P115-F118 HydrophobicContact CG-CD2 4.17Å; P115-F118 HydrophobicContact CG-CE2 4.06Å; P115-F118 PolarHBondContact O-N 3.08Å; P115-F118 VanDerWaalsContact O-N 3.14Å; A116-F118 PolarHBondContact O-N 3.43Å; F118-N122 PolarHBondContact O-N 3.06Å; F118-C123 HydrophobicContact CD1-CB 4.21Å; F118-C123 PolarHBondContact O-N 2.8Å; F118-C123 VanDerWaalsContact O-N 3.07Å |
| 119 | W | 98.4 | Very high | 98.6 | Very high | 83 Ų | 83 | 32.6 Ų | 32.6 | 31% | 0.314 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -71.9 | -44.7 | 174.9 | -52 | 119.1 | 0 | 0 | 0 | 111.1 | A111 L114 A116 S117 K121 N122 I125 W179 K182 | A111-W119 HydrophobicContact CB-CZ2 4.28Å; L114-W119 HydrophobicContact CB-CZ2 3.89Å; L114-W119 HydrophobicContact CD2-CD2 4.26Å; L114-W119 HydrophobicContact CD2-CH2 3.82Å; L114-W119 HydrophobicContact CD2-CZ2 3.33Å; L114-W119 HydrophobicContact CD2-CZ3 4.44Å; L114-W119 HydrophobicContact CG-CZ2 4.23Å; A116-W119 WeakPolarHBondContact O-CB 3.49Å; A116-W119 PolarHBondContact O-N 2.98Å; S117-W119 VanDerWaalsContact C-N 3.31Å; S117-W119 PolarHBondContact O-N 3.49Å; W119-K121 VanDerWaalsContact C-N 3.33Å; W119-K121 PolarHBondContact O-N 3.22Å; W119-N122 PolarHBondContact O-N 3.12Å; W119-I125 HydrophobicContact CE3-CD1 4.31Å; W119-I125 HydrophobicContact CH2-CD1 3.92Å; W119-I125 HydrophobicContact CZ3-CD1 3.57Å; W119-W179 AromaticContact CH2-CH2 3.63Å; W119-W179 HydrophobicContact CH2-CH2 3.63Å; W119-W179 AromaticContact CH2-CZ3 3.71Å; W119-W179 HydrophobicContact CH2-CZ3 3.71Å; W119-W179 HydrophobicContact CZ2-CH2 4.13Å; W119-W179 HydrophobicContact CZ3-CZ3 4.47Å; W119-K182 HydrophobicContact CH2-CD 4.21Å; W119-K182 HydrophobicContact CH2-CG 4.14Å; W119-K182 HydrophobicContact CZ3-CD 4.44Å |
| 120 | E | 98.4 | Very high | 98.6 | Very high | 145 Ų | 145 | 33.3 Ų | 33.3 | 68% | 0.678 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -61.4 | -39.2 | 178.8 | -67.9 | 170.7 | 179.1 | 0 | 0 | 112.7 | A116 S117 N122 | A116-E120 WeakPolarHBondContact O-CG 3.35Å; A116-E120 PolarHBondContact O-N 3.03Å; S117-E120 PolarHBondContact O-N 2.89Å; E120-N122 PolarHBondContact O-N 3.2Å |
| 121 | K | 98.5 | Very high | 98.6 | Very high | 96 Ų | 96 | 33.1 Ų | 33.1 | 42% | 0.417 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -3.6 | 176.5 | -61.7 | -56.2 | -179.6 | -171.1 | 0 | 113.3 | A36 P38 S117 W119 C123 | A36-K121 HydrophobicContact CB-CB 4.48Å; A36-K121 HydrophobicContact CB-CG 4.14Å; P38-K121 HydrophobicContact CG-CD 4.39Å; S117-K121 WeakPolarHBondContact O-CB 3.42Å; S117-K121 VanDerWaalsContact O-CG 3.23Å; S117-K121 WeakPolarHBondContact O-CG 3.48Å; S117-K121 PolarHBondContact O-N 3.1Å; W119-K121 VanDerWaalsContact C-N 3.33Å; W119-K121 PolarHBondContact O-N 3.22Å; K121-C123 VanDerWaalsContact C-N 3.27Å; K121-C123 PolarHBondContact O-N 3.46Å |
| 122 | N | 98.1 | Very high | 98.7 | Very high | 81 Ų | 81 | 33 Ų | 33 | 43% | 0.433 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 46.9 | -178.5 | -161.9 | 28.9 | 0 | 0 | 0 | 111.3 | F118 W119 E120 R187 | F118-N122 PolarHBondContact O-N 3.06Å; W119-N122 PolarHBondContact O-N 3.12Å; E120-N122 PolarHBondContact O-N 3.2Å; N122-R187 VanDerWaalsContact CG-CD 3.49Å; N122-R187 VanDerWaalsContact ND2-CD 3.26Å; N122-R187 WeakPolarHBondContact ND2-CD 3.3Å; N122-R187 VanDerWaalsContact O-CZ 3.23Å; N122-R187 PolarHBondContact O-NE 3Å; N122-R187 PolarHBondContact O-NH2 3.31Å; N122-R187 WeakPolarHBondContact OD1-CD 3.17Å |
| 123 | C | 98.8 | Very high | 98.7 | Very high | 4 Ų | 4 | 27.7 Ų | 27.7 | 3% | 0.027 | 14% | 0.138 | C | C | . | . | trans | -62.8 | 153.1 | -178.4 | -63.4 | 0 | 0 | 0 | 0 | 111.3 | R37 D40 L42 F118 K121 | R37-C123 PolarHBondContact O-SG 3Å; D40-C123 WeakPolarHBondContact O-CB 3.41Å; L42-C123 HydrophobicContact CD1-CB 3.66Å; F118-C123 HydrophobicContact CD1-CB 4.21Å; F118-C123 PolarHBondContact O-N 2.8Å; F118-C123 VanDerWaalsContact O-N 3.07Å; K121-C123 VanDerWaalsContact C-N 3.27Å; K121-C123 PolarHBondContact O-N 3.46Å | ||
| 124 | K | 98.9 | Very high | 98.7 | Very high | 26 Ų | 26 | 27 Ų | 27 | 11% | 0.113 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 141.7 | 170.4 | -74.5 | -171.7 | -178.6 | 179.6 | 0 | 109.2 | L41 L42 F210 E212 | L41-K124 HydrophobicContact CD1-CB 3.66Å; L42-K124 PolarHBondContact N-O 2.98Å; K124-F210 HydrophobicContact CB-CE1 4.11Å; K124-F210 HydrophobicContact CB-CZ 4.03Å; K124-F210 HydrophobicContact CD-CE1 4.11Å; K124-F210 HydrophobicContact CD-CZ 4.16Å; K124-F210 HydrophobicContact CG-CE1 4.44Å; K124-F210 HydrophobicContact CG-CZ 4.17Å; K124-F210 PolarHBondContact NZ-O 2.83Å; K124-E212 VanDerWaalsContact CE-OE1 3.26Å; K124-E212 WeakPolarHBondContact CE-OE1 3.34Å; K124-E212 VanDerWaalsContact NZ-CD 3.27Å; K124-E212 IonicContact NZ-OE1 3.58Å; K124-E212 PolarHBondContact NZ-OE1 3.31Å |
| 125 | I | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 133.6 | 178.7 | -54.2 | -179.7 | 0 | 0 | 0 | 109.1 | L42 V44 L114 W119 W179 R187 V188 L189 | L42-I125 HydrophobicContact CB-CB 4.47Å; L42-I125 HydrophobicContact CB-CG1 4.17Å; L42-I125 HydrophobicContact CB-CG2 4.23Å; L42-I125 HydrophobicContact CD1-CG1 4.19Å; L42-I125 HydrophobicContact CD2-CD1 4.47Å; L42-I125 HydrophobicContact CD2-CG1 4.42Å; V44-I125 HydrophobicContact CB-CG2 4.38Å; V44-I125 HydrophobicContact CG2-CG2 3.63Å; L114-I125 HydrophobicContact CD2-CD1 4.31Å; W119-I125 HydrophobicContact CE3-CD1 4.31Å; W119-I125 HydrophobicContact CH2-CD1 3.92Å; W119-I125 HydrophobicContact CZ3-CD1 3.57Å; I125-W179 HydrophobicContact CD1-CH2 3.98Å; I125-W179 HydrophobicContact CD1-CZ3 3.87Å; I125-W179 HydrophobicContact CG2-CH2 4.14Å; I125-W179 HydrophobicContact CG2-CZ3 3.77Å; I125-R187 PolarHBondContact N-O 2.98Å; I125-V188 HydrophobicContact CB-CB 4.49Å; I125-V188 HydrophobicContact CB-CG1 4.34Å; I125-V188 HydrophobicContact CB-CG2 4.13Å; I125-V188 HydrophobicContact CD1-CG2 4.24Å; I125-V188 HydrophobicContact CG1-CG2 4.47Å; I125-V188 HydrophobicContact CG2-CG1 4.38Å; I125-V188 CarbonylContact O-C 3.58Å; I125-V188 VanDerWaalsContact O-CA 3.3Å; I125-V188 WeakPolarHBondContact O-CA 3.45Å; I125-L189 PolarHBondContact O-N 2.81Å |
| 126 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 117.7 | 167 | -62.6 | 162.4 | 0 | 0 | 0 | 106.8 | L41 L42 V44 I54 V58 L189 M191 L207 F210 L211 | L41-I126 HydrophobicContact CD1-CD1 3.92Å; L41-I126 HydrophobicContact CD1-CG1 4.11Å; L41-I126 HydrophobicContact CD2-CD1 4.09Å; L41-I126 HydrophobicContact CG-CD1 4.36Å; L42-I126 PolarHBondContact O-N 3.4Å; V44-I126 PolarHBondContact N-O 3.48Å; I54-I126 HydrophobicContact CD1-CG2 3.36Å; I54-I126 HydrophobicContact CG1-CG2 4.2Å; V58-I126 HydrophobicContact CG2-CD1 3.66Å; I126-L189 WeakPolarHBondContact CA-O 3.34Å; I126-L189 HydrophobicContact CG1-CB 4.43Å; I126-M191 HydrophobicContact CG2-SD 4.19Å; I126-L207 HydrophobicContact CD1-CD2 3.59Å; I126-L207 HydrophobicContact CG1-CD2 4.14Å; I126-L207 HydrophobicContact CG2-CD2 4.13Å; I126-F210 HydrophobicContact CD1-CD1 4.41Å; I126-F210 HydrophobicContact CD1-CE1 4.37Å; I126-F210 HydrophobicContact CG1-CD1 4.03Å; I126-F210 HydrophobicContact CG1-CE1 3.7Å; I126-L211 HydrophobicContact CD1-CD2 4.45Å |
| 127 | Y | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 118.9 | 173.1 | -175.9 | -98.6 | 0 | 0 | 0 | 110.1 | V44 C129 H175 V176 W179 L189 F190 M191 | V44-Y127 HydrophobicContact CB-CD2 3.95Å; V44-Y127 HydrophobicContact CG1-CD2 3.86Å; V44-Y127 HydrophobicContact CG1-CE2 4.17Å; V44-Y127 VanDerWaalsContact O-CA 3.29Å; V44-Y127 WeakPolarHBondContact O-CA 3.5Å; Y127-C129 HydrophobicContact CD1-CB 4.37Å; Y127-C129 HydrophobicContact CE1-CB 3.7Å; Y127-H175 AromaticContact CE2-CE1 3.67Å; Y127-H175 AromaticContact CE2-ND1 3.71Å; Y127-H175 AromaticContact CZ-ND1 3.8Å; Y127-H175 PolarHBondContact OH-ND1 3.45Å; Y127-V176 WeakPolarHBondContact OH-CA 3.45Å; Y127-V176 WeakPolarHBondContact OH-CG2 3.34Å; Y127-W179 HydrophobicContact CD1-CB 3.92Å; Y127-W179 HydrophobicContact CD2-CB 3.54Å; Y127-W179 AromaticContact CD2-CD1 3.76Å; Y127-W179 AromaticContact CD2-CD2 3.67Å; Y127-W179 HydrophobicContact CD2-CD2 3.67Å; Y127-W179 HydrophobicContact CD2-CE3 4.19Å; Y127-W179 AromaticContact CD2-CG 3.35Å; Y127-W179 HydrophobicContact CD2-CG 3.35Å; Y127-W179 HydrophobicContact CE1-CB 3.76Å; Y127-W179 HydrophobicContact CE1-CG 4.49Å; Y127-W179 HydrophobicContact CE2-CB 3.44Å; Y127-W179 VanDerWaalsContact CE2-CB 3.44Å; Y127-W179 AromaticContact CE2-CD1 3.26Å; Y127-W179 HydrophobicContact CE2-CD2 4.01Å; Y127-W179 AromaticContact CE2-CG 3.26Å; Y127-W179 HydrophobicContact CE2-CG 3.26Å; Y127-W179 AromaticContact CE2-NE1 3.95Å; Y127-W179 HydrophobicContact CG-CB 3.79Å; Y127-W179 HydrophobicContact CG-CD2 4.4Å; Y127-W179 HydrophobicContact CG-CG 4.08Å; Y127-W179 AromaticContact CZ-CD1 3.95Å; Y127-W179 AromaticContact CZ-CG 3.88Å; Y127-L189 PolarHBondContact N-O 3.1Å; Y127-F190 AromaticContact CD1-CD2 3.4Å; Y127-F190 HydrophobicContact CD1-CD2 3.4Å; Y127-F190 HydrophobicContact CD1-CE1 4.49Å; Y127-F190 AromaticContact CD1-CE2 3.22Å; Y127-F190 HydrophobicContact CD1-CE2 3.22Å; Y127-F190 HydrophobicContact CD1-CG 4.13Å; Y127-F190 AromaticContact CD1-CZ 3.82Å; Y127-F190 HydrophobicContact CD1-CZ 3.82Å; Y127-F190 HydrophobicContact CE1-CD2 4.06Å; Y127-F190 AromaticContact CE1-CE2 3.36Å; Y127-F190 HydrophobicContact CE1-CE2 3.36Å; Y127-F190 AromaticContact CE1-CZ 3.72Å; Y127-F190 HydrophobicContact CE1-CZ 3.72Å; Y127-F190 HydrophobicContact CG-CD2 4.22Å; Y127-F190 HydrophobicContact CG-CE2 4.32Å; Y127-M191 PolarHBondContact O-N 3.17Å |
| 128 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 123.9 | 173.9 | 178.3 | 72.3 | 0 | 0 | 0 | 110.6 | V44 T45 S49 I54 M191 F192 M196 | V44-L128 PolarHBondContact O-N 3.11Å; T45-L128 WeakPolarHBondContact CB-O 3.44Å; T45-L128 HydrophobicContact CG2-CB 3.76Å; T45-L128 WeakPolarHBondContact CG2-O 3.47Å; S49-L128 VanDerWaalsContact O-CD2 3.3Å; S49-L128 WeakPolarHBondContact O-CD2 3.37Å; I54-L128 HydrophobicContact CB-CD2 3.94Å; I54-L128 HydrophobicContact CD1-CB 3.92Å; I54-L128 HydrophobicContact CD1-CD1 4.41Å; I54-L128 HydrophobicContact CD1-CD2 4.21Å; I54-L128 HydrophobicContact CD1-CG 4.42Å; I54-L128 HydrophobicContact CG2-CB 4.31Å; I54-L128 HydrophobicContact CG2-CD2 3.82Å; L128-M191 HydrophobicContact CD1-CB 3.83Å; L128-F192 VanDerWaalsContact CD1-C 3.48Å; L128-M196 HydrophobicContact CD1-SD 3.66Å; L128-M196 HydrophobicContact CD2-SD 3.89Å; L128-M196 HydrophobicContact CG-SD 4.45Å |
| 129 | C | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 165.7 | 174.1 | 68.2 | 0 | 0 | 0 | 0 | 111.9 | Y127 V176 F190 M191 F192 Y193 F291 | Y127-C129 HydrophobicContact CD1-CB 4.37Å; Y127-C129 HydrophobicContact CE1-CB 3.7Å; C129-V176 HydrophobicContact CB-CG2 4.32Å; C129-F190 HydrophobicContact CB-CE1 4.44Å; C129-F190 HydrophobicContact CB-CZ 4.26Å; C129-F190 WeakPolarHBondContact SG-CE1 3.45Å; C129-M191 PolarHBondContact N-O 2.84Å; C129-M191 PolarHBondContact SG-O 2.76Å; C129-F192 CarbonylContact O-C 3.35Å; C129-F192 WeakPolarHBondContact SG-CD1 3.25Å; C129-Y193 WeakPolarHBondContact O-CB 3.24Å; C129-Y193 PolarHBondContact O-N 2.71Å; C129-F291 HydrophobicContact CB-CE1 3.85Å; C129-F291 HydrophobicContact CB-CZ 4.06Å; C129-F291 WeakPolarHBondContact SG-CE1 3.38Å |
| 130 | R | 98.9 | Very high | 98.8 | Very high | 15 Ų | 15 | 21.8 Ų | 21.8 | 6% | 0.057 | 10% | 0.103 | C | C | . | . | trans | -147.8 | 151.3 | 178.8 | -177.6 | 177.9 | -174.7 | -175.9 | 4.3 | 108.6 | A132 D134 V135 W172 Y193 E194 I260 | R130-A132 PolarHBondContact O-N 3.08Å; R130-D134 IonicContact NH2-OD2 3.02Å; R130-V135 HydrophobicContact CB-CG2 3.72Å; R130-V135 HydrophobicContact CG-CG2 4.02Å; R130-W172 WeakPolarHBondContact O-CZ2 3.44Å; R130-W172 PolarHBondContact O-NE1 2.98Å; R130-Y193 HydrophobicContact CB-CG 4.35Å; R130-Y193 HydrophobicContact CG-CD1 3.95Å; R130-Y193 HydrophobicContact CG-CG 3.98Å; R130-E194 VanDerWaalsContact CG-OE1 3.32Å; R130-E194 WeakPolarHBondContact CG-OE1 3.47Å; R130-I260 PolarHBondContact NH2-O 3.45Å | ||
| 131 | N | 98.8 | Very high | 98.8 | Very high | 5 Ų | 5 | 18 Ų | 18 | 3% | 0.027 | 8% | 0.083 | C | C | . | . | trans | -53.7 | 137.9 | 177.7 | 79.1 | 84.9 | 0 | 0 | 0 | 112.1 | K133 D134 V135 E194 F291 R292 | N131-K133 VanDerWaalsContact C-N 3.29Å; N131-K133 PolarHBondContact O-N 3.26Å; N131-K133 PolarHBondContact OD1-N 3Å; N131-D134 PolarHBondContact ND2-OD2 2.84Å; N131-D134 PolarHBondContact O-N 3.28Å; N131-D134 PolarHBondContact OD1-N 2.91Å; N131-V135 WeakPolarHBondContact O-CG2 3.36Å; N131-V135 PolarHBondContact O-N 2.78Å; N131-E194 WeakPolarHBondContact CB-OE1 3.48Å; N131-E194 PolarHBondContact N-OE1 3.33Å; N131-E194 PolarHBondContact ND2-OE1 3.4Å; N131-F291 HydrophobicContact CB-CB 4.29Å; N131-F291 HydrophobicContact CB-CD1 4.41Å; N131-R292 WeakPolarHBondContact CB-O 3.35Å | ||
| 132 | A | 98.8 | Very high | 98.8 | Very high | 3 Ų | 3 | 15.2 Ų | 15.2 | 3% | 0.025 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61.5 | -34.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | R130 V135 V136 F162 W172 F276 Y280 | R130-A132 PolarHBondContact O-N 3.08Å; A132-V135 PolarHBondContact O-N 2.96Å; A132-V136 PolarHBondContact O-N 2.96Å; A132-F162 HydrophobicContact CB-CE1 4.25Å; A132-F162 HydrophobicContact CB-CZ 4.38Å; A132-W172 HydrophobicContact CB-CD2 3.71Å; A132-W172 HydrophobicContact CB-CE3 3.67Å; A132-W172 HydrophobicContact CB-CG 4.47Å; A132-W172 HydrophobicContact CB-CH2 3.86Å; A132-W172 HydrophobicContact CB-CZ2 3.83Å; A132-W172 HydrophobicContact CB-CZ3 3.77Å; A132-F276 HydrophobicContact CB-CE1 4.2Å; A132-F276 HydrophobicContact CB-CZ 3.73Å; A132-Y280 HydrophobicContact CB-CD2 4.34Å; A132-Y280 HydrophobicContact CB-CE2 4.24Å |
| 133 | K | 98.8 | Very high | 98.8 | Very high | 23 Ų | 23 | 11.5 Ų | 11.5 | 10% | 0.1 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -66.7 | -45.1 | -178.4 | -64.2 | 179.5 | -173.4 | 166.5 | 0 | 111.6 | N131 V136 V137 W264 F268 F276 E277 | N131-K133 VanDerWaalsContact C-N 3.29Å; N131-K133 PolarHBondContact O-N 3.26Å; N131-K133 PolarHBondContact OD1-N 3Å; K133-V136 VanDerWaalsContact O-CG1 3.25Å; K133-V136 WeakPolarHBondContact O-CG1 3.37Å; K133-V137 WeakPolarHBondContact O-CG2 3.34Å; K133-V137 PolarHBondContact O-N 3.16Å; K133-W264 HydrophobicContact CB-CB 3.57Å; K133-W264 HydrophobicContact CB-CD2 4.17Å; K133-W264 HydrophobicContact CB-CG 3.62Å; K133-W264 HydrophobicContact CD-CD2 3.87Å; K133-W264 HydrophobicContact CD-CE3 3.95Å; K133-W264 HydrophobicContact CD-CG 4.24Å; K133-W264 HydrophobicContact CD-CZ3 4.39Å; K133-F268 HydrophobicContact CB-CE2 4.08Å; K133-F268 HydrophobicContact CB-CZ 4.21Å; K133-F268 HydrophobicContact CG-CZ 4.26Å; K133-F276 HydrophobicContact CD-CD1 4.36Å; K133-F276 HydrophobicContact CD-CE1 4.43Å; K133-F276 HydrophobicContact CG-CD1 3.8Å; K133-F276 HydrophobicContact CG-CE1 3.5Å; K133-F276 HydrophobicContact CG-CZ 4.15Å; K133-E277 WeakPolarHBondContact CE-OE2 3.14Å; K133-E277 IonicContact NZ-OE2 3.07Å; K133-E277 PolarHBondContact NZ-OE2 3.08Å |
| 134 | D | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.005 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -71.4 | -32.6 | 174.4 | -78.9 | -29.3 | 0 | 0 | 0 | 112.7 | R130 N131 S138 V261 G262 D263 W264 | R130-D134 IonicContact NH2-OD2 3.02Å; N131-D134 PolarHBondContact ND2-OD2 2.84Å; N131-D134 PolarHBondContact O-N 3.28Å; N131-D134 PolarHBondContact OD1-N 2.91Å; D134-S138 WeakPolarHBondContact O-CB 3.43Å; D134-S138 PolarHBondContact O-N 3.4Å; D134-V261 WeakPolarHBondContact OD2-CA 3.36Å; D134-G262 PolarHBondContact OD1-N 3.27Å; D134-G262 PolarHBondContact OD2-N 2.88Å; D134-D263 PolarHBondContact OD1-N 3.19Å; D134-W264 PolarHBondContact OD1-N 3.16Å |
| 135 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -58.6 | -53.2 | 174 | 166 | 0 | 0 | 0 | 0 | 110.1 | Y46 R130 N131 A132 V137 S138 Y139 F162 | Y46-V135 HydrophobicContact CD1-CG1 3.66Å; Y46-V135 HydrophobicContact CE1-CG1 3.74Å; R130-V135 HydrophobicContact CB-CG2 3.72Å; R130-V135 HydrophobicContact CG-CG2 4.02Å; N131-V135 WeakPolarHBondContact O-CG2 3.36Å; N131-V135 PolarHBondContact O-N 2.78Å; A132-V135 PolarHBondContact O-N 2.96Å; V135-V137 VanDerWaalsContact C-N 3.33Å; V135-V137 PolarHBondContact O-N 3.33Å; V135-S138 CarbonylContact O-C 3.59Å; V135-S138 PolarHBondContact O-N 2.88Å; V135-S138 VanDerWaalsContact O-N 3.1Å; V135-Y139 WeakPolarHBondContact O-CB 3.41Å; V135-Y139 PolarHBondContact O-N 3.08Å; V135-F162 HydrophobicContact CG1-CE2 3.87Å; V135-F162 HydrophobicContact CG1-CZ 4.1Å |
| 136 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -64.3 | -35.6 | -177.2 | 67.5 | 0 | 0 | 0 | 0 | 112.6 | A132 K133 Y139 Y140 F155 F158 V159 F162 F268 | A132-V136 PolarHBondContact O-N 2.96Å; K133-V136 VanDerWaalsContact O-CG1 3.25Å; K133-V136 WeakPolarHBondContact O-CG1 3.37Å; V136-Y139 PolarHBondContact O-N 2.85Å; V136-Y140 WeakPolarHBondContact O-CB 3.35Å; V136-Y140 PolarHBondContact O-N 2.63Å; V136-F155 HydrophobicContact CG1-CZ 4.42Å; V136-F158 HydrophobicContact CG2-CD1 3.79Å; V136-F158 HydrophobicContact CG2-CE1 3.84Å; V136-V159 HydrophobicContact CG1-CG2 4.18Å; V136-V159 HydrophobicContact CG2-CG2 3.85Å; V136-F162 HydrophobicContact CB-CB 4.38Å; V136-F162 HydrophobicContact CB-CD1 3.9Å; V136-F162 HydrophobicContact CB-CD2 3.91Å; V136-F162 HydrophobicContact CB-CE1 4.12Å; V136-F162 HydrophobicContact CB-CE2 4.13Å; V136-F162 HydrophobicContact CB-CG 3.79Å; V136-F162 HydrophobicContact CB-CZ 4.22Å; V136-F162 HydrophobicContact CG2-CB 3.56Å; V136-F162 HydrophobicContact CG2-CD1 3.98Å; V136-F162 HydrophobicContact CG2-CD2 3.87Å; V136-F162 HydrophobicContact CG2-CG 3.52Å; V136-F268 HydrophobicContact CG1-CE2 3.97Å; V136-F268 HydrophobicContact CG1-CZ 3.61Å |
| 137 | V | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.006 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59.8 | -51.1 | 170.1 | 172.1 | 0 | 0 | 0 | 0 | 111 | K133 V135 Y139 Y140 Y141 F155 W264 H267 F268 | K133-V137 WeakPolarHBondContact O-CG2 3.34Å; K133-V137 PolarHBondContact O-N 3.16Å; V135-V137 VanDerWaalsContact C-N 3.33Å; V135-V137 PolarHBondContact O-N 3.33Å; V137-Y139 PolarHBondContact O-N 2.77Å; V137-Y140 PolarHBondContact O-N 3.06Å; V137-Y141 HydrophobicContact CG1-CD2 4.31Å; V137-Y141 HydrophobicContact CG1-CE2 4.2Å; V137-Y141 WeakPolarHBondContact O-CD2 3.34Å; V137-Y141 PolarHBondContact O-N 3.33Å; V137-F155 HydrophobicContact CB-CE2 4.46Å; V137-F155 HydrophobicContact CG2-CE2 3.89Å; V137-F155 HydrophobicContact CG2-CZ 3.61Å; V137-W264 HydrophobicContact CG2-CB 4.3Å; V137-H267 HydrophobicContact CG2-CB 3.79Å; V137-F268 HydrophobicContact CG2-CD2 4.45Å; V137-F268 HydrophobicContact CG2-CE2 4.08Å |
| 138 | S | 98.9 | Very high | 97.9 | Very high | 18 Ų | 18 | 21.5 Ų | 21.5 | 13% | 0.126 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.3 | -27.4 | -179.3 | -170.2 | 0 | 0 | 0 | 0 | 112.8 | K48 D134 V135 F142 | K48-S138 WeakPolarHBondContact CE-OG 3.36Å; D134-S138 WeakPolarHBondContact O-CB 3.43Å; D134-S138 PolarHBondContact O-N 3.4Å; V135-S138 CarbonylContact O-C 3.59Å; V135-S138 PolarHBondContact O-N 2.88Å; V135-S138 VanDerWaalsContact O-N 3.1Å; S138-F142 PolarHBondContact O-N 3.12Å |
| 139 | Y | 98.9 | Very high | 97.7 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.008 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -78.1 | -37.5 | 179.8 | -152.9 | 175.7 | 0 | 0 | 0 | 111.6 | Y46 P47 K48 V135 V136 V137 Y141 F142 F143 F158 F162 V167 P168 | Y46-Y139 AromaticContact CE1-CD1 3.97Å; Y46-Y139 HydrophobicContact CE1-CD1 3.97Å; Y46-Y139 AromaticContact CE1-CE1 3.85Å; Y46-Y139 HydrophobicContact CE1-CE1 3.85Å; P47-Y139 HydrophobicContact CB-CD1 4.47Å; P47-Y139 HydrophobicContact CB-CE1 3.94Å; P47-Y139 HydrophobicContact CB-CE2 4.03Å; P47-Y139 HydrophobicContact CG-CE1 4.24Å; K48-Y139 HydrophobicContact CG-CD2 4.05Å; K48-Y139 HydrophobicContact CG-CG 4.11Å; V135-Y139 WeakPolarHBondContact O-CB 3.41Å; V135-Y139 PolarHBondContact O-N 3.08Å; V136-Y139 PolarHBondContact O-N 2.85Å; V137-Y139 PolarHBondContact O-N 2.77Å; Y139-Y141 PolarHBondContact O-N 3.33Å; Y139-F142 HydrophobicContact CD2-CB 4.27Å; Y139-F142 HydrophobicContact CD2-CD1 4.09Å; Y139-F142 AromaticContact CE2-CD1 4Å; Y139-F142 HydrophobicContact CE2-CD1 4Å; Y139-F142 WeakPolarHBondContact O-CA 3.49Å; Y139-F142 WeakPolarHBondContact O-CB 3.29Å; Y139-F142 PolarHBondContact O-N 3.19Å; Y139-F143 AromaticContact CD2-CD2 3.8Å; Y139-F143 HydrophobicContact CD2-CD2 3.8Å; Y139-F143 AromaticContact CD2-CE2 3.84Å; Y139-F143 HydrophobicContact CD2-CE2 3.84Å; Y139-F143 AromaticContact CE2-CD2 3.93Å; Y139-F143 HydrophobicContact CE2-CD2 3.93Å; Y139-F143 AromaticContact CE2-CE2 3.55Å; Y139-F143 HydrophobicContact CE2-CE2 3.55Å; Y139-F143 WeakPolarHBondContact O-CD2 3.3Å; Y139-F143 PolarHBondContact O-N 3.21Å; Y139-F158 HydrophobicContact CD1-CZ 4.43Å; Y139-F158 HydrophobicContact CD2-CZ 4.44Å; Y139-F158 HydrophobicContact CG-CE1 4.41Å; Y139-F158 HydrophobicContact CG-CZ 4.06Å; Y139-F162 HydrophobicContact CD1-CD2 4.45Å; Y139-V167 HydrophobicContact CE1-CB 4.17Å; Y139-V167 HydrophobicContact CE1-CG2 4.02Å; Y139-P168 WeakPolarHBondContact OH-CB 3.47Å; Y139-P168 PolarHBondContact OH-O 3.45Å |
| 140 | Y | 98.8 | Very high | 97.5 | Very high | 36 Ų | 36 | 22.9 Ų | 22.9 | 14% | 0.141 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -55 | -50.5 | 171.1 | 174 | -100.2 | 0 | 0 | 0 | 112 | V136 V137 F142 F143 L144 P152 K153 F155 F158 | V136-Y140 WeakPolarHBondContact O-CB 3.35Å; V136-Y140 PolarHBondContact O-N 2.63Å; V137-Y140 PolarHBondContact O-N 3.06Å; Y140-F142 VanDerWaalsContact C-N 3.25Å; Y140-F142 PolarHBondContact O-N 3.42Å; Y140-F143 WeakPolarHBondContact O-CB 3.23Å; Y140-F143 PolarHBondContact O-N 3.26Å; Y140-L144 HydrophobicContact CD1-CD1 4.13Å; Y140-L144 HydrophobicContact CE1-CD1 3.58Å; Y140-L144 HydrophobicContact CE1-CG 4.35Å; Y140-L144 PolarHBondContact O-N 2.93Å; Y140-P152 HydrophobicContact CD2-CB 3.84Å; Y140-P152 HydrophobicContact CD2-CG 3.86Å; Y140-P152 HydrophobicContact CE2-CB 3.88Å; Y140-P152 HydrophobicContact CE2-CG 3.65Å; Y140-K153 PolarHBondContact OH-O 2.86Å; Y140-F155 HydrophobicContact CD1-CD2 4.09Å; Y140-F155 HydrophobicContact CD2-CB 4.46Å; Y140-F155 HydrophobicContact CD2-CD2 4.07Å; Y140-F155 HydrophobicContact CE2-CB 4.26Å; Y140-F155 AromaticContact CG-CD2 3.75Å; Y140-F155 HydrophobicContact CG-CD2 3.75Å; Y140-F155 HydrophobicContact CG-CE2 4.49Å; Y140-F158 HydrophobicContact CD2-CB 3.78Å; Y140-F158 HydrophobicContact CD2-CD1 4.11Å; Y140-F158 AromaticContact CD2-CG 3.9Å; Y140-F158 HydrophobicContact CD2-CG 3.9Å; Y140-F158 HydrophobicContact CE2-CB 4.42Å; Y140-F158 HydrophobicContact CG-CD1 4.43Å; Y140-F158 VanDerWaalsContact N-CE1 3.34Å |
| 141 | Y | 98.8 | Very high | 97.2 | Very high | 64 Ų | 64 | 25.7 Ų | 25.7 | 25% | 0.251 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -65.8 | -28.8 | 176.2 | -76.5 | -76.2 | 0 | 0 | 0 | 113.1 | V137 Y139 L144 I145 H267 | V137-Y141 HydrophobicContact CG1-CD2 4.31Å; V137-Y141 HydrophobicContact CG1-CE2 4.2Å; V137-Y141 WeakPolarHBondContact O-CD2 3.34Å; V137-Y141 PolarHBondContact O-N 3.33Å; Y139-Y141 PolarHBondContact O-N 3.33Å; Y141-L144 HydrophobicContact CD1-CD1 4.03Å; Y141-L144 HydrophobicContact CE1-CD1 4.39Å; Y141-L144 PolarHBondContact O-N 3.01Å; Y141-I145 WeakPolarHBondContact O-CG2 3.35Å; Y141-I145 PolarHBondContact O-N 3.04Å; Y141-H267 AromaticContact CE2-NE2 3.45Å; Y141-H267 WeakPolarHBondContact CE2-NE2 3.46Å; Y141-H267 AromaticContact CZ-NE2 3.86Å; Y141-H267 PolarHBondContact OH-NE2 2.93Å |
| 142 | F | 98.7 | Very high | 96.9 | Very high | 39 Ų | 39 | 26 Ų | 26 | 17% | 0.171 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.6 | -40.1 | 174.4 | -174.2 | -108.2 | 0 | 0 | 0 | 111.5 | K48 S138 Y139 Y140 L144 I145 I146 Y149 F255 | K48-F142 HydrophobicContact CD-CB 3.83Å; K48-F142 HydrophobicContact CD-CD1 4.29Å; K48-F142 HydrophobicContact CD-CD2 4.11Å; K48-F142 HydrophobicContact CD-CG 3.82Å; K48-F142 HydrophobicContact CG-CB 4.42Å; K48-F142 VanDerWaalsContact NZ-CD2 3.31Å; S138-F142 PolarHBondContact O-N 3.12Å; Y139-F142 HydrophobicContact CD2-CB 4.27Å; Y139-F142 HydrophobicContact CD2-CD1 4.09Å; Y139-F142 AromaticContact CE2-CD1 4Å; Y139-F142 HydrophobicContact CE2-CD1 4Å; Y139-F142 WeakPolarHBondContact O-CA 3.49Å; Y139-F142 WeakPolarHBondContact O-CB 3.29Å; Y139-F142 PolarHBondContact O-N 3.19Å; Y140-F142 VanDerWaalsContact C-N 3.25Å; Y140-F142 PolarHBondContact O-N 3.42Å; F142-L144 VanDerWaalsContact C-N 3.27Å; F142-L144 PolarHBondContact O-N 2.86Å; F142-I145 HydrophobicContact CD2-CD1 4.13Å; F142-I145 HydrophobicContact CD2-CG1 4.31Å; F142-I145 VanDerWaalsContact O-CG1 3.28Å; F142-I145 WeakPolarHBondContact O-CG1 3.45Å; F142-I145 PolarHBondContact O-N 3.48Å; F142-I146 HydrophobicContact CD1-CG1 4.09Å; F142-I146 HydrophobicContact CD2-CD1 4.38Å; F142-I146 HydrophobicContact CD2-CG1 4.14Å; F142-I146 HydrophobicContact CE1-CD1 4.34Å; F142-I146 HydrophobicContact CE1-CG1 3.7Å; F142-I146 HydrophobicContact CE2-CD1 3.67Å; F142-I146 HydrophobicContact CE2-CG1 3.76Å; F142-I146 HydrophobicContact CG-CG1 4.31Å; F142-I146 HydrophobicContact CZ-CD1 3.65Å; F142-I146 HydrophobicContact CZ-CG1 3.53Å; F142-I146 WeakPolarHBondContact O-CG1 3.49Å; F142-I146 PolarHBondContact O-N 3.46Å; F142-I146 VanDerWaalsContact O-N 3.16Å; F142-Y149 HydrophobicContact CD1-CE2 4.35Å; F142-Y149 HydrophobicContact CE1-CE2 4.1Å; F142-F255 HydrophobicContact CE2-CE2 4.22Å |
| 143 | F | 97.9 | Very high | 96.5 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 1% | 0.013 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.8 | -36.1 | 172.4 | -96 | -108.9 | 0 | 0 | 0 | 113 | Y8 F12 Y139 Y140 I145 Y149 P150 P152 F158 P168 | Y8-F143 AromaticContact CE2-CE1 3.8Å; Y8-F143 HydrophobicContact CE2-CE1 3.8Å; Y8-F143 HydrophobicContact CE2-CZ 4.41Å; F12-F143 AromaticContact CE2-CE1 3.7Å; F12-F143 HydrophobicContact CE2-CE1 3.7Å; F12-F143 AromaticContact CE2-CZ 3.91Å; F12-F143 HydrophobicContact CE2-CZ 3.91Å; F12-F143 AromaticContact CZ-CE1 3.98Å; F12-F143 HydrophobicContact CZ-CE1 3.98Å; F12-F143 AromaticContact CZ-CZ 3.97Å; F12-F143 HydrophobicContact CZ-CZ 3.97Å; Y139-F143 AromaticContact CD2-CD2 3.8Å; Y139-F143 HydrophobicContact CD2-CD2 3.8Å; Y139-F143 AromaticContact CD2-CE2 3.84Å; Y139-F143 HydrophobicContact CD2-CE2 3.84Å; Y139-F143 AromaticContact CE2-CD2 3.93Å; Y139-F143 HydrophobicContact CE2-CD2 3.93Å; Y139-F143 AromaticContact CE2-CE2 3.55Å; Y139-F143 HydrophobicContact CE2-CE2 3.55Å; Y139-F143 WeakPolarHBondContact O-CD2 3.3Å; Y139-F143 PolarHBondContact O-N 3.21Å; Y140-F143 WeakPolarHBondContact O-CB 3.23Å; Y140-F143 PolarHBondContact O-N 3.26Å; F143-I145 VanDerWaalsContact C-N 3.3Å; F143-I145 PolarHBondContact O-N 3.45Å; F143-Y149 AromaticContact CD1-CD2 3.97Å; F143-Y149 HydrophobicContact CD1-CD2 3.97Å; F143-Y149 AromaticContact CD2-CD2 3.92Å; F143-Y149 HydrophobicContact CD2-CD2 3.92Å; F143-Y149 HydrophobicContact CD2-CE2 4.32Å; F143-Y149 AromaticContact CE1-CD2 3.97Å; F143-Y149 HydrophobicContact CE1-CD2 3.97Å; F143-Y149 AromaticContact CE2-CD2 3.92Å; F143-Y149 HydrophobicContact CE2-CD2 3.92Å; F143-Y149 HydrophobicContact CE2-CE2 4.03Å; F143-Y149 AromaticContact CG-CD2 3.95Å; F143-Y149 HydrophobicContact CG-CD2 3.95Å; F143-Y149 AromaticContact CZ-CD2 3.94Å; F143-Y149 HydrophobicContact CZ-CD2 3.94Å; F143-Y149 HydrophobicContact CZ-CE2 4.2Å; F143-P150 HydrophobicContact CE1-CG 4.33Å; F143-P152 HydrophobicContact CB-CB 3.98Å; F143-P152 HydrophobicContact CB-CG 3.8Å; F143-P152 HydrophobicContact CD1-CB 4.33Å; F143-P152 HydrophobicContact CG-CB 4.43Å; F143-F158 HydrophobicContact CB-CE2 4.34Å; F143-F158 AromaticContact CD1-CE2 3.93Å; F143-F158 HydrophobicContact CD1-CE2 3.93Å; F143-F158 AromaticContact CD2-CE2 3.52Å; F143-F158 HydrophobicContact CD2-CE2 3.52Å; F143-F158 AromaticContact CD2-CZ 3.63Å; F143-F158 HydrophobicContact CD2-CZ 3.63Å; F143-F158 HydrophobicContact CE1-CE2 4.06Å; F143-F158 AromaticContact CE2-CE2 3.68Å; F143-F158 HydrophobicContact CE2-CE2 3.68Å; F143-F158 AromaticContact CE2-CZ 3.82Å; F143-F158 HydrophobicContact CE2-CZ 3.82Å; F143-F158 AromaticContact CG-CE2 3.65Å; F143-F158 HydrophobicContact CG-CE2 3.65Å; F143-F158 HydrophobicContact CG-CZ 4.17Å; F143-F158 AromaticContact CZ-CE2 3.95Å; F143-F158 HydrophobicContact CZ-CE2 3.95Å; F143-F158 HydrophobicContact CZ-CZ 4.49Å; F143-P168 HydrophobicContact CE2-CG 4.36Å; F143-P168 VanDerWaalsContact CZ-CD 3.48Å; F143-P168 HydrophobicContact CZ-CG 3.96Å |
| 144 | L | 97.4 | Very high | 96.4 | Very high | 51 Ų | 51 | 33.8 Ų | 33.8 | 27% | 0.267 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -68.5 | -25.8 | 178.2 | -67.3 | 176.3 | 0 | 0 | 0 | 114 | Y140 Y141 F142 P152 V252 | Y140-L144 HydrophobicContact CD1-CD1 4.13Å; Y140-L144 HydrophobicContact CE1-CD1 3.58Å; Y140-L144 HydrophobicContact CE1-CG 4.35Å; Y140-L144 PolarHBondContact O-N 2.93Å; Y141-L144 HydrophobicContact CD1-CD1 4.03Å; Y141-L144 HydrophobicContact CE1-CD1 4.39Å; Y141-L144 PolarHBondContact O-N 3.01Å; F142-L144 VanDerWaalsContact C-N 3.27Å; F142-L144 PolarHBondContact O-N 2.86Å; L144-P152 HydrophobicContact CD2-CG 3.61Å; L144-P152 HydrophobicContact CG-CG 3.99Å; L144-V252 HydrophobicContact CB-CG1 3.92Å |
| 145 | I | 97.6 | Very high | 96.4 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.015 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -99.8 | -25 | -173.8 | 68.4 | 176.5 | 0 | 0 | 0 | 112.9 | Y141 F142 F143 K147 I248 D249 L250 V252 S253 | Y141-I145 WeakPolarHBondContact O-CG2 3.35Å; Y141-I145 PolarHBondContact O-N 3.04Å; F142-I145 HydrophobicContact CD2-CD1 4.13Å; F142-I145 HydrophobicContact CD2-CG1 4.31Å; F142-I145 VanDerWaalsContact O-CG1 3.28Å; F142-I145 WeakPolarHBondContact O-CG1 3.45Å; F142-I145 PolarHBondContact O-N 3.48Å; F143-I145 VanDerWaalsContact C-N 3.3Å; F143-I145 PolarHBondContact O-N 3.45Å; I145-K147 PolarHBondContact O-N 3.34Å; I145-I248 HydrophobicContact CB-CG1 4.26Å; I145-I248 HydrophobicContact CD1-CD1 3.74Å; I145-I248 HydrophobicContact CD1-CG1 3.86Å; I145-I248 HydrophobicContact CG1-CD1 4.32Å; I145-I248 HydrophobicContact CG1-CG1 4Å; I145-I248 CarbonylContact O-C 3.59Å; I145-I248 WeakPolarHBondContact O-CA 3.23Å; I145-D249 WeakPolarHBondContact CG2-O 3.41Å; I145-D249 PolarHBondContact O-N 3.24Å; I145-L250 HydrophobicContact CD1-CD2 4.47Å; I145-V252 HydrophobicContact CG2-CB 4.2Å; I145-V252 HydrophobicContact CG2-CG1 4.26Å; I145-S253 VanDerWaalsContact CG2-O 3.28Å; I145-S253 WeakPolarHBondContact CG2-O 3.5Å |
| 146 | I | 96 | Very high | 96.4 | Very high | 28 Ų | 28 | 37.2 Ų | 37.2 | 14% | 0.144 | 19% | 0.189 | C | C | . | . | B | Isolated β-bridge | trans | -79.2 | 112.9 | 178 | -60.9 | -56.3 | 0 | 0 | 0 | 109.3 | F142 S148 Y149 I248 | F142-I146 HydrophobicContact CD1-CG1 4.09Å; F142-I146 HydrophobicContact CD2-CD1 4.38Å; F142-I146 HydrophobicContact CD2-CG1 4.14Å; F142-I146 HydrophobicContact CE1-CD1 4.34Å; F142-I146 HydrophobicContact CE1-CG1 3.7Å; F142-I146 HydrophobicContact CE2-CD1 3.67Å; F142-I146 HydrophobicContact CE2-CG1 3.76Å; F142-I146 HydrophobicContact CG-CG1 4.31Å; F142-I146 HydrophobicContact CZ-CD1 3.65Å; F142-I146 HydrophobicContact CZ-CG1 3.53Å; F142-I146 WeakPolarHBondContact O-CG1 3.49Å; F142-I146 PolarHBondContact O-N 3.46Å; F142-I146 VanDerWaalsContact O-N 3.16Å; I146-S148 VanDerWaalsContact C-N 3.29Å; I146-S148 PolarHBondContact O-N 3.06Å; I146-Y149 HydrophobicContact CB-CD1 4.17Å; I146-Y149 HydrophobicContact CB-CD2 4.13Å; I146-Y149 HydrophobicContact CB-CG 3.86Å; I146-Y149 HydrophobicContact CG2-CD1 3.44Å; I146-Y149 VanDerWaalsContact CG2-CD1 3.44Å; I146-Y149 HydrophobicContact CG2-CD2 4.25Å; I146-Y149 HydrophobicContact CG2-CE1 3.85Å; I146-Y149 HydrophobicContact CG2-CG 3.67Å; I146-Y149 WeakPolarHBondContact O-CB 3.48Å; I146-Y149 PolarHBondContact O-N 3Å; I146-I248 HydrophobicContact CD1-CB 4.34Å; I146-I248 HydrophobicContact CD1-CD1 4.21Å; I146-I248 HydrophobicContact CD1-CG1 4.15Å |
| 147 | K | 92.9 | Very high | 96.3 | Very high | 104 Ų | 104 | 41.5 Ų | 41.5 | 45% | 0.452 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -31.4 | -172 | -72.5 | -58 | -160.1 | -162.4 | 0 | 114.2 | I145 Y149 T246 M247 D249 | I145-K147 PolarHBondContact O-N 3.34Å; K147-Y149 VanDerWaalsContact C-N 3.28Å; K147-T246 WeakPolarHBondContact CB-O 3.19Å; K147-T246 WeakPolarHBondContact CG-O 3.46Å; K147-M247 PolarHBondContact N-O 3.31Å; K147-D249 HydrophobicContact CD-CB 4.28Å; K147-D249 IonicContact NZ-OD2 2.68Å; K147-D249 PolarHBondContact NZ-OD2 3.42Å |
| 148 | S | 91.8 | Very high | 96.2 | Very high | 55 Ų | 55 | 41.5 Ų | 41.5 | 39% | 0.385 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -10.2 | 177.7 | 57 | 0 | 0 | 0 | 0 | 113.3 | I146 | I146-S148 VanDerWaalsContact C-N 3.29Å; I146-S148 PolarHBondContact O-N 3.06Å |
| 149 | Y | 94.9 | Very high | 96.2 | Very high | 25 Ų | 25 | 40.6 Ų | 40.6 | 10% | 0.098 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -84.1 | 143 | -178.2 | -79.3 | 18.4 | 0 | 0 | 0 | 110.6 | F12 D21 F142 F143 I146 K147 P168 | F12-Y149 HydrophobicContact CE1-CD1 4.09Å; F12-Y149 AromaticContact CE1-CE1 3.77Å; F12-Y149 HydrophobicContact CE1-CE1 3.77Å; F12-Y149 HydrophobicContact CE1-CE2 4.32Å; F12-Y149 HydrophobicContact CE1-CG 4.5Å; F12-Y149 AromaticContact CE1-CZ 3.9Å; F12-Y149 AromaticContact CZ-CD1 3.79Å; F12-Y149 HydrophobicContact CZ-CD1 3.79Å; F12-Y149 AromaticContact CZ-CD2 3.89Å; F12-Y149 HydrophobicContact CZ-CD2 3.89Å; F12-Y149 AromaticContact CZ-CE1 3.89Å; F12-Y149 HydrophobicContact CZ-CE1 3.89Å; F12-Y149 AromaticContact CZ-CE2 3.99Å; F12-Y149 HydrophobicContact CZ-CE2 3.99Å; F12-Y149 AromaticContact CZ-CG 3.79Å; F12-Y149 HydrophobicContact CZ-CG 3.79Å; F12-Y149 AromaticContact CZ-CZ 3.99Å; D21-Y149 WeakPolarHBondContact OD2-CE1 3.37Å; F142-Y149 HydrophobicContact CD1-CE2 4.35Å; F142-Y149 HydrophobicContact CE1-CE2 4.1Å; F143-Y149 AromaticContact CD1-CD2 3.97Å; F143-Y149 HydrophobicContact CD1-CD2 3.97Å; F143-Y149 AromaticContact CD2-CD2 3.92Å; F143-Y149 HydrophobicContact CD2-CD2 3.92Å; F143-Y149 HydrophobicContact CD2-CE2 4.32Å; F143-Y149 AromaticContact CE1-CD2 3.97Å; F143-Y149 HydrophobicContact CE1-CD2 3.97Å; F143-Y149 AromaticContact CE2-CD2 3.92Å; F143-Y149 HydrophobicContact CE2-CD2 3.92Å; F143-Y149 HydrophobicContact CE2-CE2 4.03Å; F143-Y149 AromaticContact CG-CD2 3.95Å; F143-Y149 HydrophobicContact CG-CD2 3.95Å; F143-Y149 AromaticContact CZ-CD2 3.94Å; F143-Y149 HydrophobicContact CZ-CD2 3.94Å; F143-Y149 HydrophobicContact CZ-CE2 4.2Å; I146-Y149 HydrophobicContact CB-CD1 4.17Å; I146-Y149 HydrophobicContact CB-CD2 4.13Å; I146-Y149 HydrophobicContact CB-CG 3.86Å; I146-Y149 HydrophobicContact CG2-CD1 3.44Å; I146-Y149 VanDerWaalsContact CG2-CD1 3.44Å; I146-Y149 HydrophobicContact CG2-CD2 4.25Å; I146-Y149 HydrophobicContact CG2-CE1 3.85Å; I146-Y149 HydrophobicContact CG2-CG 3.67Å; I146-Y149 WeakPolarHBondContact O-CB 3.48Å; I146-Y149 PolarHBondContact O-N 3Å; K147-Y149 VanDerWaalsContact C-N 3.28Å; Y149-P168 HydrophobicContact CE2-CG 4.35Å |
| 150 | P | 94.2 | Very high | 96.2 | Very high | 5 Ų | 5 | 42.6 Ų | 42.6 | 3% | 0.032 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -63.1 | 145.7 | 173.3 | 31 | -37.6 | 0 | 0 | 0 | 109.5 | Y8 F12 F143 | Y8-P150 HydrophobicContact CD2-CB 4.14Å; Y8-P150 HydrophobicContact CD2-CG 3.42Å; Y8-P150 VanDerWaalsContact CD2-CG 3.42Å; Y8-P150 HydrophobicContact CE2-CG 3.91Å; Y8-P150 HydrophobicContact CG-CG 4.15Å; F12-P150 HydrophobicContact CD2-CG 4.23Å; F12-P150 VanDerWaalsContact CE2-CD 3.4Å; F12-P150 HydrophobicContact CE2-CG 3.53Å; F12-P150 HydrophobicContact CZ-CG 4.35Å; F143-P150 HydrophobicContact CE1-CG 4.33Å |
| 151 | N | 91.8 | Very high | 96.1 | Very high | 74 Ų | 74 | 43.6 Ų | 43.6 | 40% | 0.396 | 22% | 0.217 | S | C | . | . | P | Polyproline II helix | trans | -59.5 | 126 | 176.9 | -176.7 | -26.8 | 0 | 0 | 0 | 110 | M5 K153 | M5-N151 HydrophobicContact CE-CB 3.48Å; M5-N151 VanDerWaalsContact CE-CB 3.48Å; M5-N151 HydrophobicContact SD-CB 3.46Å; M5-N151 WeakPolarHBondContact SD-CB 3.39Å; N151-K153 PolarHBondContact O-N 3.35Å; N151-K153 VanDerWaalsContact O-N 3.08Å; N151-K153 WeakPolarHBondContact OD1-CA 3.39Å; N151-K153 PolarHBondContact OD1-N 3.07Å |
| 152 | P | 92.3 | Very high | 96.1 | Very high | 10 Ų | 10 | 40.6 Ų | 40.6 | 7% | 0.065 | 21% | 0.205 | C | C | . | . | trans | -69.9 | -2.3 | -178.8 | 30.7 | -36.4 | 0 | 0 | 0 | 113.5 | Y140 F143 L144 S154 F158 | Y140-P152 HydrophobicContact CD2-CB 3.84Å; Y140-P152 HydrophobicContact CD2-CG 3.86Å; Y140-P152 HydrophobicContact CE2-CB 3.88Å; Y140-P152 HydrophobicContact CE2-CG 3.65Å; F143-P152 HydrophobicContact CB-CB 3.98Å; F143-P152 HydrophobicContact CB-CG 3.8Å; F143-P152 HydrophobicContact CD1-CB 4.33Å; F143-P152 HydrophobicContact CG-CB 4.43Å; L144-P152 HydrophobicContact CD2-CG 3.61Å; L144-P152 HydrophobicContact CG-CG 3.99Å; P152-S154 PolarHBondContact O-N 3.27Å; P152-F158 HydrophobicContact CB-CB 4.25Å; P152-F158 HydrophobicContact CB-CD2 3.55Å; P152-F158 HydrophobicContact CB-CE2 4.23Å; P152-F158 HydrophobicContact CB-CG 4.12Å | ||
| 153 | K | 91.8 | Very high | 96.1 | Very high | 145 Ų | 145 | 39 Ų | 39 | 63% | 0.63 | 20% | 0.198 | S | C | * | . | trans | 59 | -120.2 | -175.6 | -60.8 | 177.2 | 175.4 | -177.7 | 0 | 111 | Y140 N151 E157 | Y140-K153 PolarHBondContact OH-O 2.86Å; N151-K153 PolarHBondContact O-N 3.35Å; N151-K153 VanDerWaalsContact O-N 3.08Å; N151-K153 WeakPolarHBondContact OD1-CA 3.39Å; N151-K153 PolarHBondContact OD1-N 3.07Å; K153-E157 WeakPolarHBondContact CD-OE2 3.3Å | ||
| 154 | S | 96.9 | Very high | 96.2 | Very high | 45 Ų | 45 | 44.7 Ų | 44.7 | 32% | 0.315 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -85.8 | 151.3 | 177.9 | 68.5 | 0 | 0 | 0 | 0 | 111.5 | P152 S156 E157 F158 | P152-S154 PolarHBondContact O-N 3.27Å; S154-S156 PolarHBondContact O-N 3.16Å; S154-E157 PolarHBondContact O-N 2.91Å; S154-E157 WeakPolarHBondContact OG-CB 3.42Å; S154-E157 VanDerWaalsContact OG-CG 3.28Å; S154-E157 WeakPolarHBondContact OG-CG 3.41Å; S154-E157 PolarHBondContact OG-N 2.97Å; S154-E157 PolarHBondContact OG-OE1 2.9Å; S154-F158 PolarHBondContact O-N 2.78Å; S154-F158 VanDerWaalsContact O-N 3.08Å |
| 155 | F | 98.3 | Very high | 96.2 | Very high | 25 Ų | 25 | 42.9 Ų | 42.9 | 11% | 0.11 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.6 | -40.6 | 174.9 | 178.7 | -111 | 0 | 0 | 0 | 111.9 | V136 V137 Y140 F158 V159 H267 F268 L272 | V136-F155 HydrophobicContact CG1-CZ 4.42Å; V137-F155 HydrophobicContact CB-CE2 4.46Å; V137-F155 HydrophobicContact CG2-CE2 3.89Å; V137-F155 HydrophobicContact CG2-CZ 3.61Å; Y140-F155 HydrophobicContact CD1-CD2 4.09Å; Y140-F155 HydrophobicContact CD2-CB 4.46Å; Y140-F155 HydrophobicContact CD2-CD2 4.07Å; Y140-F155 HydrophobicContact CE2-CB 4.26Å; Y140-F155 AromaticContact CG-CD2 3.75Å; Y140-F155 HydrophobicContact CG-CD2 3.75Å; Y140-F155 HydrophobicContact CG-CE2 4.49Å; F155-F158 PolarHBondContact O-N 3.18Å; F155-V159 HydrophobicContact CD1-CG2 4.2Å; F155-V159 HydrophobicContact CD2-CG2 4.33Å; F155-V159 HydrophobicContact CE1-CG2 3.69Å; F155-V159 HydrophobicContact CE2-CG2 3.83Å; F155-V159 HydrophobicContact CG-CG2 4.49Å; F155-V159 HydrophobicContact CZ-CG2 3.49Å; F155-V159 VanDerWaalsContact CZ-CG2 3.49Å; F155-V159 WeakPolarHBondContact O-CG2 3.43Å; F155-V159 PolarHBondContact O-N 2.99Å; F155-H267 HydrophobicContact CD1-CB 4.11Å; F155-H267 WeakPolarHBondContact CD1-O 3.49Å; F155-H267 HydrophobicContact CE1-CB 3.69Å; F155-H267 WeakPolarHBondContact CE1-O 3.37Å; F155-H267 HydrophobicContact CZ-CB 3.92Å; F155-F268 AromaticContact CE1-CD2 3.83Å; F155-F268 HydrophobicContact CE1-CD2 3.83Å; F155-F268 AromaticContact CE1-CE2 3.96Å; F155-F268 HydrophobicContact CE1-CE2 3.96Å; F155-F268 HydrophobicContact CE1-CG 4.19Å; F155-F268 HydrophobicContact CE1-CZ 4.4Å; F155-F268 AromaticContact CZ-CD2 3.93Å; F155-F268 HydrophobicContact CZ-CD2 3.93Å; F155-F268 AromaticContact CZ-CE2 3.63Å; F155-F268 HydrophobicContact CZ-CE2 3.63Å; F155-F268 HydrophobicContact CZ-CZ 4.12Å; F155-L272 HydrophobicContact CD1-CD2 4.32Å; F155-L272 HydrophobicContact CE1-CD2 4.27Å |
| 156 | S | 98.1 | Very high | 96.2 | Very high | 49 Ų | 49 | 46.2 Ų | 46.2 | 34% | 0.343 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.6 | -48.1 | 177.5 | -55.6 | 0 | 0 | 0 | 0 | 112.3 | S154 F158 V159 E160 | S154-S156 PolarHBondContact O-N 3.16Å; S156-F158 VanDerWaalsContact C-N 3.26Å; S156-F158 PolarHBondContact O-N 3.34Å; S156-V159 PolarHBondContact O-N 3.02Å; S156-V159 VanDerWaalsContact O-N 3.17Å; S156-E160 WeakPolarHBondContact O-CG 3.48Å; S156-E160 PolarHBondContact O-N 2.77Å; S156-E160 VanDerWaalsContact O-N 3.09Å |
| 157 | E | 96.8 | Very high | 96.3 | Very high | 89 Ų | 89 | 44.9 Ų | 44.9 | 42% | 0.416 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.2 | -37.5 | 176.1 | -77.3 | 169.3 | -109.9 | 0 | 0 | 112.3 | K153 S154 E160 K161 | K153-E157 WeakPolarHBondContact CD-OE2 3.3Å; S154-E157 PolarHBondContact O-N 2.91Å; S154-E157 WeakPolarHBondContact OG-CB 3.42Å; S154-E157 VanDerWaalsContact OG-CG 3.28Å; S154-E157 WeakPolarHBondContact OG-CG 3.41Å; S154-E157 PolarHBondContact OG-N 2.97Å; S154-E157 PolarHBondContact OG-OE1 2.9Å; E157-E160 WeakPolarHBondContact O-CB 3.43Å; E157-E160 PolarHBondContact O-N 2.96Å; E157-K161 PolarHBondContact O-N 2.78Å |
| 158 | F | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 40 Ų | 40 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.9 | -38.3 | 176.4 | -172.2 | -97.9 | 0 | 0 | 0 | 112.6 | V136 Y139 Y140 F143 P152 S154 F155 S156 E160 K161 F162 V167 | V136-F158 HydrophobicContact CG2-CD1 3.79Å; V136-F158 HydrophobicContact CG2-CE1 3.84Å; Y139-F158 HydrophobicContact CD1-CZ 4.43Å; Y139-F158 HydrophobicContact CD2-CZ 4.44Å; Y139-F158 HydrophobicContact CG-CE1 4.41Å; Y139-F158 HydrophobicContact CG-CZ 4.06Å; Y140-F158 HydrophobicContact CD2-CB 3.78Å; Y140-F158 HydrophobicContact CD2-CD1 4.11Å; Y140-F158 AromaticContact CD2-CG 3.9Å; Y140-F158 HydrophobicContact CD2-CG 3.9Å; Y140-F158 HydrophobicContact CE2-CB 4.42Å; Y140-F158 HydrophobicContact CG-CD1 4.43Å; Y140-F158 VanDerWaalsContact N-CE1 3.34Å; F143-F158 HydrophobicContact CB-CE2 4.34Å; F143-F158 AromaticContact CD1-CE2 3.93Å; F143-F158 HydrophobicContact CD1-CE2 3.93Å; F143-F158 AromaticContact CD2-CE2 3.52Å; F143-F158 HydrophobicContact CD2-CE2 3.52Å; F143-F158 AromaticContact CD2-CZ 3.63Å; F143-F158 HydrophobicContact CD2-CZ 3.63Å; F143-F158 HydrophobicContact CE1-CE2 4.06Å; F143-F158 AromaticContact CE2-CE2 3.68Å; F143-F158 HydrophobicContact CE2-CE2 3.68Å; F143-F158 AromaticContact CE2-CZ 3.82Å; F143-F158 HydrophobicContact CE2-CZ 3.82Å; F143-F158 AromaticContact CG-CE2 3.65Å; F143-F158 HydrophobicContact CG-CE2 3.65Å; F143-F158 HydrophobicContact CG-CZ 4.17Å; F143-F158 AromaticContact CZ-CE2 3.95Å; F143-F158 HydrophobicContact CZ-CE2 3.95Å; F143-F158 HydrophobicContact CZ-CZ 4.49Å; P152-F158 HydrophobicContact CB-CB 4.25Å; P152-F158 HydrophobicContact CB-CD2 3.55Å; P152-F158 HydrophobicContact CB-CE2 4.23Å; P152-F158 HydrophobicContact CB-CG 4.12Å; S154-F158 PolarHBondContact O-N 2.78Å; S154-F158 VanDerWaalsContact O-N 3.08Å; F155-F158 PolarHBondContact O-N 3.18Å; S156-F158 VanDerWaalsContact C-N 3.26Å; S156-F158 PolarHBondContact O-N 3.34Å; F158-E160 VanDerWaalsContact C-N 3.31Å; F158-E160 PolarHBondContact O-N 3.01Å; F158-K161 PolarHBondContact O-N 3.24Å; F158-F162 WeakPolarHBondContact O-CB 3.49Å; F158-F162 PolarHBondContact O-N 2.66Å; F158-V167 HydrophobicContact CE2-CG1 4.13Å; F158-V167 HydrophobicContact CZ-CG1 4.14Å |
| 159 | V | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.5 | -38.9 | 174.4 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | V136 F155 S156 F162 M163 F268 L272 F276 | V136-V159 HydrophobicContact CG1-CG2 4.18Å; V136-V159 HydrophobicContact CG2-CG2 3.85Å; F155-V159 HydrophobicContact CD1-CG2 4.2Å; F155-V159 HydrophobicContact CD2-CG2 4.33Å; F155-V159 HydrophobicContact CE1-CG2 3.69Å; F155-V159 HydrophobicContact CE2-CG2 3.83Å; F155-V159 HydrophobicContact CG-CG2 4.49Å; F155-V159 HydrophobicContact CZ-CG2 3.49Å; F155-V159 VanDerWaalsContact CZ-CG2 3.49Å; F155-V159 WeakPolarHBondContact O-CG2 3.43Å; F155-V159 PolarHBondContact O-N 2.99Å; S156-V159 PolarHBondContact O-N 3.02Å; S156-V159 VanDerWaalsContact O-N 3.17Å; V159-F162 PolarHBondContact O-N 3.2Å; V159-M163 HydrophobicContact CG1-CE 4.27Å; V159-M163 HydrophobicContact CG1-CG 4.37Å; V159-M163 HydrophobicContact CG1-SD 4.46Å; V159-M163 WeakPolarHBondContact O-CG 3.06Å; V159-M163 PolarHBondContact O-N 3.14Å; V159-F268 HydrophobicContact CG1-CE1 4.12Å; V159-F268 HydrophobicContact CG2-CE1 4.3Å; V159-F268 HydrophobicContact CG2-CZ 4.18Å; V159-L272 HydrophobicContact CB-CD1 4.29Å; V159-L272 HydrophobicContact CB-CD2 4.13Å; V159-L272 HydrophobicContact CG1-CD1 3.92Å; V159-L272 HydrophobicContact CG1-CD2 4.27Å; V159-L272 HydrophobicContact CG1-CG 4.19Å; V159-L272 HydrophobicContact CG2-CD2 4.08Å; V159-F276 HydrophobicContact CG1-CD2 3.8Å; V159-F276 HydrophobicContact CG1-CE2 4.41Å |
| 160 | E | 98 | Very high | 97.1 | Very high | 44 Ų | 44 | 36.6 Ų | 36.6 | 21% | 0.206 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.3 | -48.2 | 173.8 | -63.1 | -56.2 | 146.9 | 0 | 0 | 111.8 | S156 E157 F158 F162 M163 E164 R275 | S156-E160 WeakPolarHBondContact O-CG 3.48Å; S156-E160 PolarHBondContact O-N 2.77Å; S156-E160 VanDerWaalsContact O-N 3.09Å; E157-E160 WeakPolarHBondContact O-CB 3.43Å; E157-E160 PolarHBondContact O-N 2.96Å; F158-E160 VanDerWaalsContact C-N 3.31Å; F158-E160 PolarHBondContact O-N 3.01Å; E160-F162 VanDerWaalsContact C-N 3.3Å; E160-F162 PolarHBondContact O-N 3.31Å; E160-M163 VanDerWaalsContact CD-CE 3.41Å; E160-M163 PolarHBondContact O-N 3.39Å; E160-M163 WeakPolarHBondContact OE1-CE 3.23Å; E160-M163 VanDerWaalsContact OE2-CE 3.23Å; E160-M163 WeakPolarHBondContact OE2-CE 3.49Å; E160-E164 WeakPolarHBondContact O-CG 3.36Å; E160-E164 PolarHBondContact O-N 2.75Å; E160-E164 VanDerWaalsContact O-N 3.11Å; E160-R275 IonicContact OE1-CZ 2.76Å; E160-R275 IonicContact OE1-NE 3.61Å; E160-R275 IonicContact OE1-NH1 3.69Å; E160-R275 PolarHBondContact OE1-NH1 3.18Å; E160-R275 IonicContact OE1-NH2 3.72Å; E160-R275 IonicContact OE2-CZ 3.98Å; E160-R275 IonicContact OE2-NE 2.66Å; E160-R275 IonicContact OE2-NH1 3.3Å; E160-R275 PolarHBondContact OE2-NH1 2.95Å; E160-R275 VanDerWaalsContact OE2-NH1 3.07Å; E160-R275 IonicContact OE2-NH2 2.65Å; E160-R275 PolarHBondContact OE2-NH2 3.05Å |
| 161 | K | 98.1 | Very high | 97.3 | Very high | 57 Ų | 57 | 37.5 Ų | 37.5 | 25% | 0.248 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.2 | -41.7 | 175.1 | -72.4 | -176.8 | 173.1 | -64.9 | 0 | 112.3 | Y8 E157 F158 E164 G165 Q166 V167 | Y8-K161 HydrophobicContact CD2-CD 4.39Å; Y8-K161 HydrophobicContact CE1-CD 4.42Å; Y8-K161 HydrophobicContact CE2-CD 3.93Å; E157-K161 PolarHBondContact O-N 2.78Å; F158-K161 PolarHBondContact O-N 3.24Å; K161-E164 PolarHBondContact O-N 2.66Å; K161-G165 PolarHBondContact O-N 2.71Å; K161-Q166 HydrophobicContact CB-CB 4.36Å; K161-Q166 WeakPolarHBondContact O-CA 3.38Å; K161-Q166 PolarHBondContact O-N 3.12Å; K161-V167 HydrophobicContact CB-CG1 4.14Å |
| 162 | F | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.3 | -43.2 | 177.9 | 178.3 | -87.9 | 0 | 0 | 0 | 112.4 | Y46 A132 V135 V136 Y139 F158 V159 E160 E164 G165 V167 W172 F276 | Y46-F162 AromaticContact CE1-CE2 3.83Å; Y46-F162 HydrophobicContact CE1-CE2 3.83Å; A132-F162 HydrophobicContact CB-CE1 4.25Å; A132-F162 HydrophobicContact CB-CZ 4.38Å; V135-F162 HydrophobicContact CG1-CE2 3.87Å; V135-F162 HydrophobicContact CG1-CZ 4.1Å; V136-F162 HydrophobicContact CB-CB 4.38Å; V136-F162 HydrophobicContact CB-CD1 3.9Å; V136-F162 HydrophobicContact CB-CD2 3.91Å; V136-F162 HydrophobicContact CB-CE1 4.12Å; V136-F162 HydrophobicContact CB-CE2 4.13Å; V136-F162 HydrophobicContact CB-CG 3.79Å; V136-F162 HydrophobicContact CB-CZ 4.22Å; V136-F162 HydrophobicContact CG2-CB 3.56Å; V136-F162 HydrophobicContact CG2-CD1 3.98Å; V136-F162 HydrophobicContact CG2-CD2 3.87Å; V136-F162 HydrophobicContact CG2-CG 3.52Å; Y139-F162 HydrophobicContact CD1-CD2 4.45Å; F158-F162 WeakPolarHBondContact O-CB 3.49Å; F158-F162 PolarHBondContact O-N 2.66Å; V159-F162 PolarHBondContact O-N 3.2Å; E160-F162 VanDerWaalsContact C-N 3.3Å; E160-F162 PolarHBondContact O-N 3.31Å; F162-E164 VanDerWaalsContact C-N 3.32Å; F162-E164 PolarHBondContact O-N 2.8Å; F162-G165 PolarHBondContact O-N 2.82Å; F162-G165 VanDerWaalsContact O-N 3.1Å; F162-V167 HydrophobicContact CB-CG1 4.46Å; F162-V167 HydrophobicContact CD2-CG2 4.16Å; F162-W172 HydrophobicContact CE1-CB 4.22Å; F162-W172 HydrophobicContact CE2-CB 3.94Å; F162-W172 HydrophobicContact CE2-CG 4.49Å; F162-W172 HydrophobicContact CZ-CB 3.46Å; F162-W172 VanDerWaalsContact CZ-CB 3.46Å; F162-W172 AromaticContact CZ-CG 3.78Å; F162-W172 HydrophobicContact CZ-CG 3.78Å; F162-F276 HydrophobicContact CD1-CE2 4.01Å; F162-F276 HydrophobicContact CE1-CE2 4.05Å; F162-F276 HydrophobicContact CE1-CZ 4.16Å |
| 163 | M | 98.7 | Very high | 98 | Very high | 6 Ų | 6 | 33.5 Ų | 33.5 | 3% | 0.03 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.9 | -41.7 | 177.4 | -74.4 | -169.6 | -61.1 | 0 | 0 | 111.6 | V159 E160 G165 F276 H279 | V159-M163 HydrophobicContact CG1-CE 4.27Å; V159-M163 HydrophobicContact CG1-CG 4.37Å; V159-M163 HydrophobicContact CG1-SD 4.46Å; V159-M163 WeakPolarHBondContact O-CG 3.06Å; V159-M163 PolarHBondContact O-N 3.14Å; E160-M163 VanDerWaalsContact CD-CE 3.41Å; E160-M163 PolarHBondContact O-N 3.39Å; E160-M163 WeakPolarHBondContact OE1-CE 3.23Å; E160-M163 VanDerWaalsContact OE2-CE 3.23Å; E160-M163 WeakPolarHBondContact OE2-CE 3.49Å; M163-G165 PolarHBondContact O-N 2.99Å; M163-F276 HydrophobicContact CG-CD2 3.76Å; M163-F276 HydrophobicContact CG-CE2 4.02Å; M163-F276 HydrophobicContact SD-CB 4.21Å; M163-F276 HydrophobicContact SD-CD2 3.81Å; M163-F276 HydrophobicContact SD-CG 4.33Å; M163-H279 PolarHBondContact O-CE1 3.27Å; M163-H279 PolarHBondContact O-NE2 3.29Å; M163-H279 HydrophobicContact SD-CB 3.77Å |
| 164 | E | 98.1 | Very high | 98.3 | Very high | 123 Ų | 123 | 30.6 Ų | 30.6 | 58% | 0.575 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78 | 1.4 | 177.4 | -64.2 | -67.1 | 160.3 | 0 | 0 | 113.6 | E160 K161 F162 Q166 | E160-E164 WeakPolarHBondContact O-CG 3.36Å; E160-E164 PolarHBondContact O-N 2.75Å; E160-E164 VanDerWaalsContact O-N 3.11Å; K161-E164 PolarHBondContact O-N 2.66Å; F162-E164 VanDerWaalsContact C-N 3.32Å; F162-E164 PolarHBondContact O-N 2.8Å; E164-Q166 HydrophobicContact CB-CG 3.95Å; E164-Q166 PolarHBondContact O-N 2.8Å |
| 165 | G | 98.3 | Very high | 98.4 | Very high | 12 Ų | 12 | 28.6 Ų | 28.6 | 12% | 0.124 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 17.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | K161 F162 M163 V167 G170 | K161-G165 PolarHBondContact O-N 2.71Å; F162-G165 PolarHBondContact O-N 2.82Å; F162-G165 VanDerWaalsContact O-N 3.1Å; M163-G165 PolarHBondContact O-N 2.99Å; G165-V167 PolarHBondContact O-N 3.27Å; G165-V167 VanDerWaalsContact O-N 3.11Å; G165-G170 CarbonylContact O-C 3.59Å; G165-G170 WeakPolarHBondContact O-CA 3.44Å |
| 166 | Q | 98.1 | Very high | 98.4 | Very high | 74 Ų | 74 | 27.4 Ų | 27.4 | 35% | 0.346 | 14% | 0.142 | S | C | . | . | trans | -86.6 | 49.4 | 177.4 | -61.4 | -174.6 | 2.3 | 0 | 0 | 111.2 | Y8 Y9 L19 K161 E164 | Y8-Q166 WeakPolarHBondContact CE1-O 3.31Å; Y8-Q166 PolarHBondContact OH-O 2.75Å; Y9-Q166 PolarHBondContact OH-OE1 3.02Å; Y9-Q166 VanDerWaalsContact OH-OE1 3.07Å; L19-Q166 VanDerWaalsContact CD2-C 3.45Å; K161-Q166 HydrophobicContact CB-CB 4.36Å; K161-Q166 WeakPolarHBondContact O-CA 3.38Å; K161-Q166 PolarHBondContact O-N 3.12Å; E164-Q166 HydrophobicContact CB-CG 3.95Å; E164-Q166 PolarHBondContact O-N 2.8Å | ||
| 167 | V | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -135.8 | 157.4 | 173.9 | -67.3 | 0 | 0 | 0 | 0 | 109.3 | Y8 Y46 Y139 F158 K161 F162 G165 Y169 G170 | Y8-V167 WeakPolarHBondContact OH-CA 3.34Å; Y46-V167 WeakPolarHBondContact OH-CG2 3.31Å; Y139-V167 HydrophobicContact CE1-CB 4.17Å; Y139-V167 HydrophobicContact CE1-CG2 4.02Å; F158-V167 HydrophobicContact CE2-CG1 4.13Å; F158-V167 HydrophobicContact CZ-CG1 4.14Å; K161-V167 HydrophobicContact CB-CG1 4.14Å; F162-V167 HydrophobicContact CB-CG1 4.46Å; F162-V167 HydrophobicContact CD2-CG2 4.16Å; G165-V167 PolarHBondContact O-N 3.27Å; G165-V167 VanDerWaalsContact O-N 3.11Å; V167-Y169 PolarHBondContact O-N 2.92Å; V167-G170 WeakPolarHBondContact O-CA 3.2Å; V167-G170 PolarHBondContact O-N 3.37Å |
| 168 | P | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 138.6 | -178.8 | -23.4 | 31.6 | 0 | 0 | 0 | 111.4 | F12 L19 Y139 F143 Y149 | F12-P168 HydrophobicContact CD1-CG 3.69Å; F12-P168 HydrophobicContact CD2-CG 4.46Å; F12-P168 HydrophobicContact CE1-CB 4.41Å; F12-P168 HydrophobicContact CE1-CG 3.4Å; F12-P168 HydrophobicContact CE2-CG 4.18Å; F12-P168 HydrophobicContact CG-CG 4.24Å; F12-P168 HydrophobicContact CZ-CG 3.66Å; L19-P168 CarbonylContact O-C 3.56Å; L19-P168 VanDerWaalsContact O-CA 3.28Å; L19-P168 WeakPolarHBondContact O-CA 3.26Å; Y139-P168 WeakPolarHBondContact OH-CB 3.47Å; Y139-P168 PolarHBondContact OH-O 3.45Å; F143-P168 HydrophobicContact CE2-CG 4.36Å; F143-P168 VanDerWaalsContact CZ-CD 3.48Å; F143-P168 HydrophobicContact CZ-CG 3.96Å; Y149-P168 HydrophobicContact CE2-CG 4.35Å |
| 169 | Y | 98.8 | Very high | 98.5 | Very high | 6 Ų | 6 | 25.5 Ų | 25.5 | 2% | 0.024 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 6.1 | -168.9 | -57 | -79.8 | 0 | 0 | 0 | 115.5 | V18 L19 M20 F24 P47 Y81 E83 H108 L109 V167 | V18-Y169 VanDerWaalsContact CG1-C 3.46Å; L19-Y169 PolarHBondContact O-N 3.47Å; M20-Y169 HydrophobicContact CE-CD1 4.18Å; M20-Y169 HydrophobicContact CE-CE1 3.67Å; M20-Y169 HydrophobicContact SD-CD1 3.83Å; M20-Y169 HydrophobicContact SD-CE1 3.93Å; M20-Y169 HydrophobicContact SD-CG 4.42Å; F24-Y169 WeakPolarHBondContact CD2-OH 3.38Å; F24-Y169 WeakPolarHBondContact CE2-OH 3.26Å; P47-Y169 HydrophobicContact CG-CD2 3.37Å; P47-Y169 HydrophobicContact CG-CE2 4.15Å; P47-Y169 HydrophobicContact CG-CG 3.95Å; Y81-Y169 WeakPolarHBondContact OH-CE2 3.48Å; Y81-Y169 VanDerWaalsContact OH-CZ 3.22Å; Y81-Y169 PolarHBondContact OH-OH 2.88Å; E83-Y169 HydrophobicContact CG-CE1 4.3Å; E83-Y169 WeakPolarHBondContact CG-OH 3.44Å; E83-Y169 VanDerWaalsContact OE1-CE1 3.23Å; E83-Y169 WeakPolarHBondContact OE1-CE1 3.36Å; E83-Y169 PolarHBondContact OE1-OH 3Å; E83-Y169 VanDerWaalsContact OE1-OH 3.13Å; H108-Y169 VanDerWaalsContact C-CD1 3.43Å; H108-Y169 HydrophobicContact CB-CD1 3.66Å; H108-Y169 HydrophobicContact CB-CD2 3.89Å; H108-Y169 HydrophobicContact CB-CE1 3.52Å; H108-Y169 HydrophobicContact CB-CE2 3.75Å; H108-Y169 HydrophobicContact CB-CG 3.84Å; H108-Y169 WeakPolarHBondContact O-CD1 3.37Å; L109-Y169 HydrophobicContact CD2-CD1 4.45Å; L109-Y169 HydrophobicContact CD2-CE1 4Å; V167-Y169 PolarHBondContact O-N 2.92Å |
| 170 | G | 98.7 | Very high | 98.5 | Very high | 4 Ų | 4 | 28.9 Ų | 28.9 | 4% | 0.041 | 14% | 0.144 | C | C | . | . | trans | 73.2 | -151 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y46 G165 V167 W172 | Y46-G170 WeakPolarHBondContact CE2-O 3.42Å; Y46-G170 PolarHBondContact OH-O 3.37Å; G165-G170 CarbonylContact O-C 3.59Å; G165-G170 WeakPolarHBondContact O-CA 3.44Å; V167-G170 WeakPolarHBondContact O-CA 3.2Å; V167-G170 PolarHBondContact O-N 3.37Å; G170-W172 PolarHBondContact O-N 3.2Å | ||
| 171 | S | 98.8 | Very high | 98.5 | Very high | 23 Ų | 23 | 31.5 Ų | 31.5 | 16% | 0.161 | 16% | 0.156 | C | C | . | . | trans | -62.5 | 115.6 | -179.9 | 168.9 | 0 | 0 | 0 | 0 | 111.9 | Y173 D174 H175 | S171-Y173 PolarHBondContact O-N 3.22Å; S171-Y173 PolarHBondContact OG-N 2.94Å; S171-D174 WeakPolarHBondContact CB-OD2 3.35Å; S171-D174 PolarHBondContact O-N 3.14Å; S171-D174 PolarHBondContact OG-N 2.94Å; S171-D174 VanDerWaalsContact OG-N 3.13Å; S171-D174 PolarHBondContact OG-OD2 3.45Å; S171-H175 WeakPolarHBondContact O-CB 3.44Å; S171-H175 PolarHBondContact O-N 2.77Å | ||
| 172 | W | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55.5 | -38 | 170.8 | 172.3 | 93.9 | 0 | 0 | 0 | 111.5 | Y46 R130 A132 F162 G170 H175 V176 Y280 M284 F291 | Y46-W172 HydrophobicContact CD1-CB 4.41Å; Y46-W172 AromaticContact CD1-CD1 3.59Å; Y46-W172 HydrophobicContact CD1-CG 4.4Å; Y46-W172 HydrophobicContact CD2-CB 4.27Å; Y46-W172 HydrophobicContact CE1-CB 4.15Å; Y46-W172 HydrophobicContact CE2-CB 3.99Å; Y46-W172 HydrophobicContact CG-CB 4.45Å; Y46-W172 AromaticContact CG-CD1 3.72Å; Y46-W172 HydrophobicContact CG-CG 4.45Å; R130-W172 WeakPolarHBondContact O-CZ2 3.44Å; R130-W172 PolarHBondContact O-NE1 2.98Å; A132-W172 HydrophobicContact CB-CD2 3.71Å; A132-W172 HydrophobicContact CB-CE3 3.67Å; A132-W172 HydrophobicContact CB-CG 4.47Å; A132-W172 HydrophobicContact CB-CH2 3.86Å; A132-W172 HydrophobicContact CB-CZ2 3.83Å; A132-W172 HydrophobicContact CB-CZ3 3.77Å; F162-W172 HydrophobicContact CE1-CB 4.22Å; F162-W172 HydrophobicContact CE2-CB 3.94Å; F162-W172 HydrophobicContact CE2-CG 4.49Å; F162-W172 HydrophobicContact CZ-CB 3.46Å; F162-W172 VanDerWaalsContact CZ-CB 3.46Å; F162-W172 AromaticContact CZ-CG 3.78Å; F162-W172 HydrophobicContact CZ-CG 3.78Å; G170-W172 PolarHBondContact O-N 3.2Å; W172-H175 PolarHBondContact O-N 2.85Å; W172-V176 HydrophobicContact CD2-CG2 4.12Å; W172-V176 HydrophobicContact CH2-CG2 4.34Å; W172-V176 HydrophobicContact CZ2-CG2 3.79Å; W172-V176 WeakPolarHBondContact O-CG2 3.48Å; W172-V176 PolarHBondContact O-N 2.85Å; W172-Y280 AromaticContact CH2-CE2 3.76Å; W172-Y280 HydrophobicContact CH2-CE2 3.76Å; W172-Y280 HydrophobicContact CZ3-CD2 4.26Å; W172-Y280 AromaticContact CZ3-CE2 3.58Å; W172-Y280 HydrophobicContact CZ3-CE2 3.58Å; W172-M284 HydrophobicContact CH2-CE 4.21Å; W172-M284 HydrophobicContact CZ3-CE 4.07Å; W172-M284 HydrophobicContact CZ3-CG 4.41Å; W172-M284 HydrophobicContact CZ3-SD 4.09Å; W172-F291 AromaticContact CH2-CD2 3.96Å; W172-F291 HydrophobicContact CH2-CD2 3.96Å; W172-F291 HydrophobicContact CH2-CE1 4.32Å; W172-F291 AromaticContact CH2-CE2 3.64Å; W172-F291 HydrophobicContact CH2-CE2 3.64Å; W172-F291 HydrophobicContact CH2-CG 4.42Å; W172-F291 AromaticContact CH2-CZ 3.86Å; W172-F291 HydrophobicContact CH2-CZ 3.86Å; W172-F291 HydrophobicContact CZ2-CD1 4.29Å; W172-F291 HydrophobicContact CZ2-CD2 4.41Å; W172-F291 AromaticContact CZ2-CE1 3.84Å; W172-F291 HydrophobicContact CZ2-CE1 3.84Å; W172-F291 AromaticContact CZ2-CE2 3.97Å; W172-F291 HydrophobicContact CZ2-CE2 3.97Å; W172-F291 AromaticContact CZ2-CZ 3.67Å; W172-F291 HydrophobicContact CZ2-CZ 3.67Å |
| 173 | Y | 98.6 | Very high | 98.5 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 0% | 0.004 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.8 | -50.2 | -178.8 | -47.9 | -82.2 | 0 | 0 | 0 | 110.9 | S171 H175 K177 H279 Y280 H283 M284 | S171-Y173 PolarHBondContact O-N 3.22Å; S171-Y173 PolarHBondContact OG-N 2.94Å; Y173-H175 VanDerWaalsContact C-N 3.34Å; Y173-K177 VanDerWaalsContact C-CE 3.49Å; Y173-K177 WeakPolarHBondContact O-CB 3.21Å; Y173-K177 WeakPolarHBondContact O-CE 3.38Å; Y173-K177 VanDerWaalsContact O-CG 3.26Å; Y173-K177 WeakPolarHBondContact O-CG 3.49Å; Y173-K177 PolarHBondContact O-N 3.38Å; Y173-H279 AromaticContact CE2-CE1 3.57Å; Y173-H279 AromaticContact CE2-ND1 3.86Å; Y173-H279 AromaticContact CZ-CE1 3.73Å; Y173-H279 AromaticContact CZ-ND1 3.5Å; Y173-H279 PolarHBondContact OH-ND1 3.03Å; Y173-Y280 HydrophobicContact CD1-CD2 4.45Å; Y173-Y280 AromaticContact CE1-CD2 3.79Å; Y173-Y280 HydrophobicContact CE1-CD2 3.79Å; Y173-Y280 HydrophobicContact CE1-CE2 4.49Å; Y173-Y280 HydrophobicContact CE1-CG 4.46Å; Y173-H283 HydrophobicContact CD1-CB 3.75Å; Y173-H283 HydrophobicContact CD2-CB 4.47Å; Y173-H283 HydrophobicContact CE1-CB 4.2Å; Y173-H283 HydrophobicContact CG-CB 3.9Å; Y173-M284 HydrophobicContact CD1-CG 3.84Å; Y173-M284 HydrophobicContact CD1-SD 3.93Å; Y173-M284 HydrophobicContact CE1-CG 4.47Å |
| 174 | D | 98.6 | Very high | 98.4 | Very high | 84 Ų | 84 | 40.9 Ų | 40.9 | 45% | 0.449 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -72.2 | -33.8 | -178.5 | -58 | -39.3 | 0 | 0 | 0 | 111.4 | S171 K177 S178 | S171-D174 WeakPolarHBondContact CB-OD2 3.35Å; S171-D174 PolarHBondContact O-N 3.14Å; S171-D174 PolarHBondContact OG-N 2.94Å; S171-D174 VanDerWaalsContact OG-N 3.13Å; S171-D174 PolarHBondContact OG-OD2 3.45Å; D174-K177 WeakPolarHBondContact OD1-CE 3.35Å; D174-K177 IonicContact OD1-NZ 3.94Å; D174-K177 PolarHBondContact OD1-NZ 2.94Å; D174-S178 WeakPolarHBondContact O-CB 3.47Å; D174-S178 PolarHBondContact O-N 3.38Å; D174-S178 PolarHBondContact O-OG 2.97Å |
| 175 | H | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.009 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.5 | -53.7 | 173.3 | -163.2 | -76.9 | 0 | 0 | 0 | 111.4 | Y46 H108 L109 Y127 S171 W172 Y173 S178 W179 | Y46-H175 HydrophobicContact CD2-CB 3.79Å; Y46-H175 AromaticContact CD2-CD2 3.94Å; Y46-H175 AromaticContact CD2-CG 3.71Å; Y46-H175 HydrophobicContact CE2-CB 4.45Å; H108-H175 PolarHBondContact O-NE2 3.09Å; L109-H175 PolarHBondContact O-NE2 3.38Å; Y127-H175 AromaticContact CE2-CE1 3.67Å; Y127-H175 AromaticContact CE2-ND1 3.71Å; Y127-H175 AromaticContact CZ-ND1 3.8Å; Y127-H175 PolarHBondContact OH-ND1 3.45Å; S171-H175 WeakPolarHBondContact O-CB 3.44Å; S171-H175 PolarHBondContact O-N 2.77Å; W172-H175 PolarHBondContact O-N 2.85Å; Y173-H175 VanDerWaalsContact C-N 3.34Å; H175-S178 PolarHBondContact O-OG 2.95Å; H175-W179 AromaticContact CE1-CD1 3.48Å; H175-W179 VanDerWaalsContact CE1-CD1 3.48Å; H175-W179 AromaticContact CE1-NE1 3.6Å; H175-W179 AromaticContact ND1-CD1 3.56Å; H175-W179 AromaticContact NE2-NE1 3.95Å; H175-W179 VanDerWaalsContact O-CD1 3.31Å; H175-W179 PolarHBondContact O-N 3.34Å; H175-W179 VanDerWaalsContact O-N 3.14Å |
| 176 | V | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.7 | -48 | 178.7 | 167 | 0 | 0 | 0 | 0 | 112 | Y127 C129 W172 S178 W179 W180 F190 M284 F291 | Y127-V176 WeakPolarHBondContact OH-CA 3.45Å; Y127-V176 WeakPolarHBondContact OH-CG2 3.34Å; C129-V176 HydrophobicContact CB-CG2 4.32Å; W172-V176 HydrophobicContact CD2-CG2 4.12Å; W172-V176 HydrophobicContact CH2-CG2 4.34Å; W172-V176 HydrophobicContact CZ2-CG2 3.79Å; W172-V176 WeakPolarHBondContact O-CG2 3.48Å; W172-V176 PolarHBondContact O-N 2.85Å; V176-S178 VanDerWaalsContact C-N 3.33Å; V176-S178 PolarHBondContact O-N 2.7Å; V176-W179 PolarHBondContact O-N 3.14Å; V176-W180 WeakPolarHBondContact O-CB 3.32Å; V176-W180 PolarHBondContact O-N 3.42Å; V176-F190 HydrophobicContact CG1-CZ 4.35Å; V176-M284 HydrophobicContact CG1-CE 4.48Å; V176-F291 HydrophobicContact CG1-CE2 3.78Å; V176-F291 HydrophobicContact CG1-CZ 3.54Å; V176-F291 HydrophobicContact CG2-CZ 4.23Å |
| 177 | K | 98.6 | Very high | 98.2 | Very high | 62 Ų | 62 | 42.7 Ų | 42.7 | 27% | 0.27 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.6 | -44.5 | 179.9 | -75 | 178.5 | -62.7 | 177.3 | 0 | 111.4 | Y173 D174 W180 E181 M284 C287 | Y173-K177 VanDerWaalsContact C-CE 3.49Å; Y173-K177 WeakPolarHBondContact O-CB 3.21Å; Y173-K177 WeakPolarHBondContact O-CE 3.38Å; Y173-K177 VanDerWaalsContact O-CG 3.26Å; Y173-K177 WeakPolarHBondContact O-CG 3.49Å; Y173-K177 PolarHBondContact O-N 3.38Å; D174-K177 WeakPolarHBondContact OD1-CE 3.35Å; D174-K177 IonicContact OD1-NZ 3.94Å; D174-K177 PolarHBondContact OD1-NZ 2.94Å; K177-W180 PolarHBondContact O-N 3.02Å; K177-E181 PolarHBondContact O-N 3.35Å; K177-M284 HydrophobicContact CD-SD 4.26Å; K177-M284 HydrophobicContact CG-SD 4.23Å; K177-C287 HydrophobicContact CD-CB 4.46Å; K177-C287 HydrophobicContact CG-CB 4.22Å |
| 178 | S | 97.6 | Very high | 98.3 | Very high | 38 Ų | 38 | 43.1 Ų | 43.1 | 27% | 0.266 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.5 | -42.4 | -179.7 | 65.4 | 0 | 0 | 0 | 0 | 112.2 | D174 H175 V176 E181 K182 | D174-S178 WeakPolarHBondContact O-CB 3.47Å; D174-S178 PolarHBondContact O-N 3.38Å; D174-S178 PolarHBondContact O-OG 2.97Å; H175-S178 PolarHBondContact O-OG 2.95Å; V176-S178 VanDerWaalsContact C-N 3.33Å; V176-S178 PolarHBondContact O-N 2.7Å; S178-E181 PolarHBondContact O-N 2.99Å; S178-K182 WeakPolarHBondContact O-CG 3.25Å; S178-K182 PolarHBondContact O-N 3.1Å |
| 179 | W | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -72.9 | -29.8 | 177.8 | -83.2 | 110 | 0 | 0 | 0 | 113.6 | V44 L109 A111 L114 W119 I125 Y127 H175 V176 K182 S183 V188 | V44-W179 HydrophobicContact CB-CH2 4.44Å; V44-W179 HydrophobicContact CB-CZ2 4.24Å; V44-W179 HydrophobicContact CG1-CD2 4.29Å; V44-W179 HydrophobicContact CG1-CH2 4.26Å; V44-W179 HydrophobicContact CG1-CZ2 3.58Å; V44-W179 HydrophobicContact CG2-CH2 3.92Å; V44-W179 HydrophobicContact CG2-CZ2 4.03Å; L109-W179 PolarHBondContact O-NE1 2.91Å; L109-W179 VanDerWaalsContact O-NE1 3.1Å; A111-W179 HydrophobicContact CB-CD2 4.21Å; A111-W179 HydrophobicContact CB-CZ2 4.12Å; L114-W179 HydrophobicContact CD2-CH2 3.99Å; L114-W179 HydrophobicContact CD2-CZ2 4.5Å; W119-W179 AromaticContact CH2-CH2 3.63Å; W119-W179 HydrophobicContact CH2-CH2 3.63Å; W119-W179 AromaticContact CH2-CZ3 3.71Å; W119-W179 HydrophobicContact CH2-CZ3 3.71Å; W119-W179 HydrophobicContact CZ2-CH2 4.13Å; W119-W179 HydrophobicContact CZ3-CZ3 4.47Å; I125-W179 HydrophobicContact CD1-CH2 3.98Å; I125-W179 HydrophobicContact CD1-CZ3 3.87Å; I125-W179 HydrophobicContact CG2-CH2 4.14Å; I125-W179 HydrophobicContact CG2-CZ3 3.77Å; Y127-W179 HydrophobicContact CD1-CB 3.92Å; Y127-W179 HydrophobicContact CD2-CB 3.54Å; Y127-W179 AromaticContact CD2-CD1 3.76Å; Y127-W179 AromaticContact CD2-CD2 3.67Å; Y127-W179 HydrophobicContact CD2-CD2 3.67Å; Y127-W179 HydrophobicContact CD2-CE3 4.19Å; Y127-W179 AromaticContact CD2-CG 3.35Å; Y127-W179 HydrophobicContact CD2-CG 3.35Å; Y127-W179 HydrophobicContact CE1-CB 3.76Å; Y127-W179 HydrophobicContact CE1-CG 4.49Å; Y127-W179 HydrophobicContact CE2-CB 3.44Å; Y127-W179 VanDerWaalsContact CE2-CB 3.44Å; Y127-W179 AromaticContact CE2-CD1 3.26Å; Y127-W179 HydrophobicContact CE2-CD2 4.01Å; Y127-W179 AromaticContact CE2-CG 3.26Å; Y127-W179 HydrophobicContact CE2-CG 3.26Å; Y127-W179 AromaticContact CE2-NE1 3.95Å; Y127-W179 HydrophobicContact CG-CB 3.79Å; Y127-W179 HydrophobicContact CG-CD2 4.4Å; Y127-W179 HydrophobicContact CG-CG 4.08Å; Y127-W179 AromaticContact CZ-CD1 3.95Å; Y127-W179 AromaticContact CZ-CG 3.88Å; H175-W179 AromaticContact CE1-CD1 3.48Å; H175-W179 VanDerWaalsContact CE1-CD1 3.48Å; H175-W179 AromaticContact CE1-NE1 3.6Å; H175-W179 AromaticContact ND1-CD1 3.56Å; H175-W179 AromaticContact NE2-NE1 3.95Å; H175-W179 VanDerWaalsContact O-CD1 3.31Å; H175-W179 PolarHBondContact O-N 3.34Å; H175-W179 VanDerWaalsContact O-N 3.14Å; V176-W179 PolarHBondContact O-N 3.14Å; W179-K182 HydrophobicContact CE3-CB 4.06Å; W179-K182 HydrophobicContact CE3-CG 4.39Å; W179-K182 HydrophobicContact CZ3-CB 4.4Å; W179-K182 PolarHBondContact O-N 3.01Å; W179-S183 PolarHBondContact O-N 2.93Å; W179-V188 HydrophobicContact CE3-CG1 4.43Å |
| 180 | W | 98.4 | Very high | 98.3 | Very high | 71 Ų | 71 | 45.3 Ų | 45.3 | 27% | 0.269 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.2 | -41.6 | 169.1 | 173.3 | -101.3 | 0 | 0 | 0 | 111.9 | V176 K177 K182 S183 F190 P288 V289 | V176-W180 WeakPolarHBondContact O-CB 3.32Å; V176-W180 PolarHBondContact O-N 3.42Å; K177-W180 PolarHBondContact O-N 3.02Å; W180-K182 PolarHBondContact O-N 2.89Å; W180-S183 PolarHBondContact O-N 2.96Å; W180-S183 VanDerWaalsContact O-N 3.12Å; W180-S183 PolarHBondContact O-OG 3.38Å; W180-F190 HydrophobicContact CB-CD2 4.46Å; W180-F190 HydrophobicContact CB-CE2 3.83Å; W180-F190 HydrophobicContact CB-CZ 4.3Å; W180-F190 AromaticContact CE3-CD1 3.93Å; W180-F190 HydrophobicContact CE3-CD1 3.93Å; W180-F190 AromaticContact CE3-CD2 3.95Å; W180-F190 HydrophobicContact CE3-CD2 3.95Å; W180-F190 AromaticContact CE3-CE1 3.99Å; W180-F190 HydrophobicContact CE3-CE1 3.99Å; W180-F190 HydrophobicContact CE3-CE2 4.01Å; W180-F190 AromaticContact CE3-CG 3.92Å; W180-F190 HydrophobicContact CE3-CG 3.92Å; W180-F190 HydrophobicContact CE3-CZ 4.03Å; W180-F190 HydrophobicContact CZ3-CD1 4.12Å; W180-F190 HydrophobicContact CZ3-CE1 4.44Å; W180-F190 HydrophobicContact CZ3-CG 4.28Å; W180-P288 HydrophobicContact CZ2-CG 4.18Å; W180-V289 HydrophobicContact CB-CG2 3.66Å; W180-V289 HydrophobicContact CD2-CG2 3.27Å; W180-V289 HydrophobicContact CE3-CG2 3.6Å; W180-V289 HydrophobicContact CG-CG2 3.26Å; W180-V289 HydrophobicContact CZ3-CG2 4.37Å |
| 181 | E | 98.1 | Very high | 98.3 | Very high | 98 Ų | 98 | 45.1 Ų | 45.1 | 46% | 0.458 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.1 | -32.9 | 175.3 | -71.8 | -60.3 | 124.4 | 0 | 0 | 112.1 | K177 S178 K184 | K177-E181 PolarHBondContact O-N 3.35Å; S178-E181 PolarHBondContact O-N 2.99Å; E181-K184 VanDerWaalsContact CD-NZ 3.27Å; E181-K184 IonicContact OE1-NZ 2.66Å; E181-K184 PolarHBondContact OE1-NZ 3.03Å; E181-K184 VanDerWaalsContact OE1-NZ 3.16Å; E181-K184 WeakPolarHBondContact OE2-CE 2.95Å; E181-K184 IonicContact OE2-NZ 3.81Å; E181-K184 PolarHBondContact OE2-NZ 3.42Å |
| 182 | K | 98.3 | Very high | 98.3 | Very high | 93 Ų | 93 | 45.7 Ų | 45.7 | 40% | 0.404 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -71.5 | -26.5 | 173.7 | -62.2 | -59.1 | 179.3 | 179.2 | 0 | 113.4 | A111 W119 S178 W179 W180 K184 N185 | A111-K182 HydrophobicContact CB-CG 3.94Å; W119-K182 HydrophobicContact CH2-CD 4.21Å; W119-K182 HydrophobicContact CH2-CG 4.14Å; W119-K182 HydrophobicContact CZ3-CD 4.44Å; S178-K182 WeakPolarHBondContact O-CG 3.25Å; S178-K182 PolarHBondContact O-N 3.1Å; W179-K182 HydrophobicContact CE3-CB 4.06Å; W179-K182 HydrophobicContact CE3-CG 4.39Å; W179-K182 HydrophobicContact CZ3-CB 4.4Å; W179-K182 PolarHBondContact O-N 3.01Å; W180-K182 PolarHBondContact O-N 2.89Å; K182-K184 PolarHBondContact O-N 3.34Å; K182-N185 WeakPolarHBondContact O-CB 3.32Å; K182-N185 PolarHBondContact O-N 2.98Å; K182-N185 VanDerWaalsContact O-N 3.1Å |
| 183 | S | 97.8 | Very high | 98.3 | Very high | 24 Ų | 24 | 46.3 Ų | 46.3 | 17% | 0.168 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -8.3 | 179.1 | 75 | 0 | 0 | 0 | 0 | 114.8 | W179 W180 N185 | W179-S183 PolarHBondContact O-N 2.93Å; W180-S183 PolarHBondContact O-N 2.96Å; W180-S183 VanDerWaalsContact O-N 3.12Å; W180-S183 PolarHBondContact O-OG 3.38Å; S183-N185 PolarHBondContact O-N 3.18Å |
| 184 | K | 97.1 | Very high | 98.3 | Very high | 144 Ų | 144 | 46.3 Ų | 46.3 | 63% | 0.626 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -20.6 | 167.5 | -64.8 | 176.9 | -179.2 | 169.4 | 0 | 112.4 | E181 K182 | E181-K184 VanDerWaalsContact CD-NZ 3.27Å; E181-K184 IonicContact OE1-NZ 2.66Å; E181-K184 PolarHBondContact OE1-NZ 3.03Å; E181-K184 VanDerWaalsContact OE1-NZ 3.16Å; E181-K184 WeakPolarHBondContact OE2-CE 2.95Å; E181-K184 IonicContact OE2-NZ 3.81Å; E181-K184 PolarHBondContact OE2-NZ 3.42Å; K182-K184 PolarHBondContact O-N 3.34Å |
| 185 | N | 96.6 | Very high | 98.3 | Very high | 71 Ų | 71 | 43.8 Ų | 43.8 | 38% | 0.38 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -79.5 | 128.7 | 167.9 | -176.8 | -27 | 0 | 0 | 0 | 109.5 | K182 S183 R187 V188 | K182-N185 WeakPolarHBondContact O-CB 3.32Å; K182-N185 PolarHBondContact O-N 2.98Å; K182-N185 VanDerWaalsContact O-N 3.1Å; S183-N185 PolarHBondContact O-N 3.18Å; N185-R187 PolarHBondContact O-N 3.14Å; N185-R187 WeakPolarHBondContact OD1-CB 3.31Å; N185-R187 PolarHBondContact OD1-N 3.1Å; N185-V188 HydrophobicContact CB-CG2 4.28Å; N185-V188 PolarHBondContact O-N 3.37Å |
| 186 | S | 96.9 | Very high | 98.3 | Very high | 110 Ų | 110 | 43.8 Ų | 43.8 | 77% | 0.769 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -14.9 | 179.7 | 57.2 | 0 | 0 | 0 | 0 | 114.6 | V188 | S186-V188 VanDerWaalsContact C-N 3.32Š|
| 187 | R | 98.3 | Very high | 98.3 | Very high | 66 Ų | 66 | 47.4 Ų | 47.4 | 25% | 0.249 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 2.9 | 174.8 | -62.5 | -171.5 | 66 | 88 | -12.7 | 114.1 | N122 I125 N185 F210 | N122-R187 VanDerWaalsContact CG-CD 3.49Å; N122-R187 VanDerWaalsContact ND2-CD 3.26Å; N122-R187 WeakPolarHBondContact ND2-CD 3.3Å; N122-R187 VanDerWaalsContact O-CZ 3.23Å; N122-R187 PolarHBondContact O-NE 3Å; N122-R187 PolarHBondContact O-NH2 3.31Å; N122-R187 WeakPolarHBondContact OD1-CD 3.17Å; I125-R187 PolarHBondContact N-O 2.98Å; N185-R187 PolarHBondContact O-N 3.14Å; N185-R187 WeakPolarHBondContact OD1-CB 3.31Å; N185-R187 PolarHBondContact OD1-N 3.1Å; R187-F210 WeakPolarHBondContact O-CZ 3.39Å |
| 188 | V | 98.8 | Very high | 98.3 | Very high | 9 Ų | 9 | 49.3 Ų | 49.3 | 6% | 0.055 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 98.6 | 175.4 | -178.6 | 0 | 0 | 0 | 0 | 108.7 | I125 W179 N185 S186 F190 | I125-V188 HydrophobicContact CB-CB 4.49Å; I125-V188 HydrophobicContact CB-CG1 4.34Å; I125-V188 HydrophobicContact CB-CG2 4.13Å; I125-V188 HydrophobicContact CD1-CG2 4.24Å; I125-V188 HydrophobicContact CG1-CG2 4.47Å; I125-V188 HydrophobicContact CG2-CG1 4.38Å; I125-V188 CarbonylContact O-C 3.58Å; I125-V188 VanDerWaalsContact O-CA 3.3Å; I125-V188 WeakPolarHBondContact O-CA 3.45Å; W179-V188 HydrophobicContact CE3-CG1 4.43Å; N185-V188 HydrophobicContact CB-CG2 4.28Å; N185-V188 PolarHBondContact O-N 3.37Å; S186-V188 VanDerWaalsContact C-N 3.32Å; V188-F190 PolarHBondContact O-N 3.35Å |
| 189 | L | 98.9 | Very high | 98.4 | Very high | 26 Ų | 26 | 50.2 Ų | 50.2 | 14% | 0.136 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 116 | 175.6 | -177.1 | 66.3 | 0 | 0 | 0 | 109.9 | I125 I126 Y127 M191 K206 L207 F210 | I125-L189 PolarHBondContact O-N 2.81Å; I126-L189 WeakPolarHBondContact CA-O 3.34Å; I126-L189 HydrophobicContact CG1-CB 4.43Å; Y127-L189 PolarHBondContact N-O 3.1Å; L189-M191 HydrophobicContact CD2-CG 4.06Å; L189-M191 HydrophobicContact CD2-SD 3.62Å; L189-M191 HydrophobicContact CG-CG 3.89Å; L189-M191 HydrophobicContact CG-SD 4.13Å; L189-K206 HydrophobicContact CD1-CD 4.15Å; L189-K206 HydrophobicContact CD1-CG 4.27Å; L189-L207 HydrophobicContact CD2-CD2 3.77Å; L189-L207 HydrophobicContact CD2-CG 4.38Å; L189-F210 HydrophobicContact CB-CD1 3.98Å; L189-F210 HydrophobicContact CB-CD2 3.84Å; L189-F210 HydrophobicContact CB-CE1 3.92Å; L189-F210 HydrophobicContact CB-CE2 3.77Å; L189-F210 HydrophobicContact CB-CG 3.94Å; L189-F210 HydrophobicContact CB-CZ 3.81Å; L189-F210 HydrophobicContact CD1-CD2 4.47Å; L189-F210 HydrophobicContact CD2-CB 3.86Å; L189-F210 HydrophobicContact CD2-CD1 3.91Å; L189-F210 HydrophobicContact CD2-CD2 4.41Å; L189-F210 HydrophobicContact CD2-CG 3.8Å; L189-F210 HydrophobicContact CG-CD2 4.46Å; L189-F210 HydrophobicContact CG-CG 4.31Å |
| 190 | F | 98.9 | Very high | 98.4 | Very high | 25 Ų | 25 | 52 Ų | 52 | 11% | 0.11 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 122.9 | 177.7 | -165.5 | -75.5 | 0 | 0 | 0 | 110.5 | Y127 C129 V176 W180 V188 F192 V289 | Y127-F190 AromaticContact CD1-CD2 3.4Å; Y127-F190 HydrophobicContact CD1-CD2 3.4Å; Y127-F190 HydrophobicContact CD1-CE1 4.49Å; Y127-F190 AromaticContact CD1-CE2 3.22Å; Y127-F190 HydrophobicContact CD1-CE2 3.22Å; Y127-F190 HydrophobicContact CD1-CG 4.13Å; Y127-F190 AromaticContact CD1-CZ 3.82Å; Y127-F190 HydrophobicContact CD1-CZ 3.82Å; Y127-F190 HydrophobicContact CE1-CD2 4.06Å; Y127-F190 AromaticContact CE1-CE2 3.36Å; Y127-F190 HydrophobicContact CE1-CE2 3.36Å; Y127-F190 AromaticContact CE1-CZ 3.72Å; Y127-F190 HydrophobicContact CE1-CZ 3.72Å; Y127-F190 HydrophobicContact CG-CD2 4.22Å; Y127-F190 HydrophobicContact CG-CE2 4.32Å; C129-F190 HydrophobicContact CB-CE1 4.44Å; C129-F190 HydrophobicContact CB-CZ 4.26Å; C129-F190 WeakPolarHBondContact SG-CE1 3.45Å; V176-F190 HydrophobicContact CG1-CZ 4.35Å; W180-F190 HydrophobicContact CB-CD2 4.46Å; W180-F190 HydrophobicContact CB-CE2 3.83Å; W180-F190 HydrophobicContact CB-CZ 4.3Å; W180-F190 AromaticContact CE3-CD1 3.93Å; W180-F190 HydrophobicContact CE3-CD1 3.93Å; W180-F190 AromaticContact CE3-CD2 3.95Å; W180-F190 HydrophobicContact CE3-CD2 3.95Å; W180-F190 AromaticContact CE3-CE1 3.99Å; W180-F190 HydrophobicContact CE3-CE1 3.99Å; W180-F190 HydrophobicContact CE3-CE2 4.01Å; W180-F190 AromaticContact CE3-CG 3.92Å; W180-F190 HydrophobicContact CE3-CG 3.92Å; W180-F190 HydrophobicContact CE3-CZ 4.03Å; W180-F190 HydrophobicContact CZ3-CD1 4.12Å; W180-F190 HydrophobicContact CZ3-CE1 4.44Å; W180-F190 HydrophobicContact CZ3-CG 4.28Å; V188-F190 PolarHBondContact O-N 3.35Å; F190-F192 AromaticContact CD1-CE2 4Å; F190-F192 HydrophobicContact CD1-CE2 4Å; F190-F192 AromaticContact CD1-CZ 3.98Å; F190-F192 HydrophobicContact CD1-CZ 3.98Å; F190-F192 AromaticContact CE1-CE1 3.91Å; F190-F192 HydrophobicContact CE1-CE1 3.91Å; F190-F192 HydrophobicContact CE1-CE2 4.07Å; F190-F192 AromaticContact CE1-CZ 3.6Å; F190-F192 HydrophobicContact CE1-CZ 3.6Å; F190-V289 HydrophobicContact CE1-CG1 4.17Å; F190-V289 HydrophobicContact CZ-CG1 4.27Å; F190-V289 HydrophobicContact CZ-CG2 4.47Å |
| 191 | M | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 161.6 | -174.4 | -61.6 | -178.8 | 72.3 | 0 | 0 | 112 | I54 I126 Y127 L128 C129 L189 M196 E203 L207 | I54-M191 HydrophobicContact CD1-SD 3.82Å; I126-M191 HydrophobicContact CG2-SD 4.19Å; Y127-M191 PolarHBondContact O-N 3.17Å; L128-M191 HydrophobicContact CD1-CB 3.83Å; C129-M191 PolarHBondContact N-O 2.84Å; C129-M191 PolarHBondContact SG-O 2.76Å; L189-M191 HydrophobicContact CD2-CG 4.06Å; L189-M191 HydrophobicContact CD2-SD 3.62Å; L189-M191 HydrophobicContact CG-CG 3.89Å; L189-M191 HydrophobicContact CG-SD 4.13Å; M191-M196 HydrophobicContact CE-CG 4.37Å; M191-E203 HydrophobicContact CE-CB 3.8Å; M191-E203 HydrophobicContact CE-CG 4.41Å; M191-E203 WeakPolarHBondContact CE-OE2 3.39Å; M191-L207 HydrophobicContact CE-CD1 3.87Å; M191-L207 HydrophobicContact CE-CD2 4.43Å; M191-L207 HydrophobicContact CE-CG 3.85Å; M191-L207 HydrophobicContact SD-CD1 4.08Å; M191-L207 HydrophobicContact SD-CD2 3.64Å; M191-L207 HydrophobicContact SD-CG 3.73Å |
| 192 | F | 98.9 | Very high | 98.4 | Very high | 35 Ų | 35 | 54.4 Ų | 54.4 | 15% | 0.154 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 134.8 | 178.5 | -58.3 | -96.7 | 0 | 0 | 0 | 110.4 | L128 C129 F190 E194 D195 M196 V289 F291 | L128-F192 VanDerWaalsContact CD1-C 3.48Å; C129-F192 CarbonylContact O-C 3.35Å; C129-F192 WeakPolarHBondContact SG-CD1 3.25Å; F190-F192 AromaticContact CD1-CE2 4Å; F190-F192 HydrophobicContact CD1-CE2 4Å; F190-F192 AromaticContact CD1-CZ 3.98Å; F190-F192 HydrophobicContact CD1-CZ 3.98Å; F190-F192 AromaticContact CE1-CE1 3.91Å; F190-F192 HydrophobicContact CE1-CE1 3.91Å; F190-F192 HydrophobicContact CE1-CE2 4.07Å; F190-F192 AromaticContact CE1-CZ 3.6Å; F190-F192 HydrophobicContact CE1-CZ 3.6Å; F192-E194 PolarHBondContact O-N 3.18Å; F192-D195 HydrophobicContact CB-CB 4.21Å; F192-D195 WeakPolarHBondContact CD2-OD2 3.47Å; F192-D195 PolarHBondContact O-N 3.36Å; F192-D195 VanDerWaalsContact O-N 3.17Å; F192-M196 PolarHBondContact O-N 3.23Å; F192-V289 HydrophobicContact CE1-CG1 3.59Å; F192-V289 HydrophobicContact CZ-CG1 3.8Å; F192-F291 HydrophobicContact CD1-CD1 4.25Å; F192-F291 HydrophobicContact CD1-CE1 4.13Å; F192-F291 HydrophobicContact CE1-CD1 4.41Å; F192-F291 HydrophobicContact CE1-CE1 4.18Å; F192-F291 HydrophobicContact CE1-CZ 4.37Å |
| 193 | Y | 98.9 | Very high | 98.5 | Very high | 13 Ų | 13 | 50 Ų | 50 | 5% | 0.051 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.6 | -36.7 | 173.7 | 177.6 | -91.3 | 0 | 0 | 0 | 111 | W53 C129 R130 M196 K197 G259 V261 | W53-Y193 AromaticContact CE3-CD2 3.81Å; W53-Y193 HydrophobicContact CE3-CD2 3.81Å; W53-Y193 AromaticContact CE3-CE2 3.44Å; W53-Y193 HydrophobicContact CE3-CE2 3.44Å; W53-Y193 VanDerWaalsContact CE3-CE2 3.44Å; W53-Y193 AromaticContact CZ3-CD2 3.89Å; W53-Y193 HydrophobicContact CZ3-CD2 3.89Å; W53-Y193 AromaticContact CZ3-CE2 3.57Å; W53-Y193 HydrophobicContact CZ3-CE2 3.57Å; C129-Y193 WeakPolarHBondContact O-CB 3.24Å; C129-Y193 PolarHBondContact O-N 2.71Å; R130-Y193 HydrophobicContact CB-CG 4.35Å; R130-Y193 HydrophobicContact CG-CD1 3.95Å; R130-Y193 HydrophobicContact CG-CG 3.98Å; Y193-M196 PolarHBondContact O-N 3.26Å; Y193-K197 HydrophobicContact CD1-CG 3.98Å; Y193-K197 HydrophobicContact CE1-CD 4.15Å; Y193-K197 HydrophobicContact CE1-CG 3.51Å; Y193-K197 WeakPolarHBondContact O-CG 3.29Å; Y193-K197 PolarHBondContact O-N 3.47Å; Y193-G259 WeakPolarHBondContact OH-CA 3.37Å; Y193-G259 PolarHBondContact OH-O 2.68Å; Y193-V261 HydrophobicContact CD1-CG2 4.07Å; Y193-V261 HydrophobicContact CE1-CG2 3.98Å |
| 194 | E | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.6 | -40.2 | 178.5 | -65 | 76.8 | -161.9 | 0 | 0 | 112.2 | R130 N131 F192 M196 K197 E198 V261 R292 L295 | R130-E194 VanDerWaalsContact CG-OE1 3.32Å; R130-E194 WeakPolarHBondContact CG-OE1 3.47Å; N131-E194 WeakPolarHBondContact CB-OE1 3.48Å; N131-E194 PolarHBondContact N-OE1 3.33Å; N131-E194 PolarHBondContact ND2-OE1 3.4Å; F192-E194 PolarHBondContact O-N 3.18Å; E194-M196 VanDerWaalsContact C-N 3.33Å; E194-M196 PolarHBondContact O-N 2.87Å; E194-K197 PolarHBondContact O-N 3.48Å; E194-K197 VanDerWaalsContact O-N 3.15Å; E194-E198 WeakPolarHBondContact O-CB 3.29Å; E194-E198 PolarHBondContact O-N 3.03Å; E194-V261 HydrophobicContact CB-CG2 4.44Å; E194-V261 HydrophobicContact CG-CG1 3.96Å; E194-V261 HydrophobicContact CG-CG2 3.93Å; E194-R292 HydrophobicContact CB-CB 4.41Å; E194-R292 HydrophobicContact CG-CB 4.33Å; E194-R292 WeakPolarHBondContact CG-O 3.34Å; E194-L295 HydrophobicContact CB-CD2 4.16Å |
| 195 | D | 98.9 | Very high | 98.6 | Very high | 30 Ų | 30 | 43.8 Ų | 43.8 | 16% | 0.16 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.7 | -40.8 | 176.1 | -63.1 | -0.3 | 0 | 0 | 0 | 110.8 | F192 K197 E198 D199 E203 R292 | F192-D195 HydrophobicContact CB-CB 4.21Å; F192-D195 WeakPolarHBondContact CD2-OD2 3.47Å; F192-D195 PolarHBondContact O-N 3.36Å; F192-D195 VanDerWaalsContact O-N 3.17Å; D195-K197 PolarHBondContact O-N 3.31Å; D195-E198 PolarHBondContact O-N 2.91Å; D195-D199 PolarHBondContact O-N 3.33Å; D195-E203 HydrophobicContact CB-CG 3.96Å; D195-R292 IonicContact OD1-CZ 2.94Å; D195-R292 IonicContact OD1-NE 2.75Å; D195-R292 IonicContact OD1-NH2 3.52Å; D195-R292 PolarHBondContact OD1-NH2 3.31Å |
| 196 | M | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.7 | -32.8 | 175.5 | -64.6 | 177.4 | 68.2 | 0 | 0 | 111.8 | W53 I54 I57 L128 M191 F192 Y193 E194 I200 E203 | W53-M196 HydrophobicContact CD2-CE 3.67Å; W53-M196 HydrophobicContact CE3-CB 4.34Å; W53-M196 HydrophobicContact CE3-CE 3.76Å; W53-M196 HydrophobicContact CE3-SD 4.28Å; W53-M196 HydrophobicContact CG-CE 4.12Å; W53-M196 HydrophobicContact CH2-CB 3.56Å; W53-M196 HydrophobicContact CH2-CE 4.35Å; W53-M196 WeakPolarHBondContact CH2-O 3.41Å; W53-M196 HydrophobicContact CZ2-CB 4.32Å; W53-M196 HydrophobicContact CZ2-CE 4.28Å; W53-M196 HydrophobicContact CZ3-CB 3.58Å; W53-M196 HydrophobicContact CZ3-CE 4.11Å; W53-M196 HydrophobicContact CZ3-SD 4.4Å; I54-M196 HydrophobicContact CB-CE 4.41Å; I54-M196 HydrophobicContact CD1-SD 4.48Å; I57-M196 HydrophobicContact CD1-CE 3.36Å; L128-M196 HydrophobicContact CD1-SD 3.66Å; L128-M196 HydrophobicContact CD2-SD 3.89Å; L128-M196 HydrophobicContact CG-SD 4.45Å; M191-M196 HydrophobicContact CE-CG 4.37Å; F192-M196 PolarHBondContact O-N 3.23Å; Y193-M196 PolarHBondContact O-N 3.26Å; E194-M196 VanDerWaalsContact C-N 3.33Å; E194-M196 PolarHBondContact O-N 2.87Å; M196-I200 HydrophobicContact CB-CD1 4.11Å; M196-I200 HydrophobicContact CE-CD1 4.12Å; M196-I200 WeakPolarHBondContact O-CA 3.36Å; M196-I200 WeakPolarHBondContact O-CB 3.28Å; M196-I200 PolarHBondContact O-N 3.4Å; M196-E203 HydrophobicContact CG-CB 4Å; M196-E203 HydrophobicContact CG-CG 4.13Å |
| 197 | K | 98.7 | Very high | 98.8 | Very high | 76 Ų | 76 | 38.4 Ų | 38.4 | 33% | 0.33 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -77.3 | -33 | 178.2 | -77.6 | -61.6 | -50.5 | -174.7 | 0 | 112.8 | W53 Y193 E194 D195 G259 V261 L295 | W53-K197 HydrophobicContact CH2-CD 3.56Å; W53-K197 HydrophobicContact CH2-CG 3.97Å; W53-K197 HydrophobicContact CZ3-CD 3.73Å; W53-K197 HydrophobicContact CZ3-CG 3.87Å; Y193-K197 HydrophobicContact CD1-CG 3.98Å; Y193-K197 HydrophobicContact CE1-CD 4.15Å; Y193-K197 HydrophobicContact CE1-CG 3.51Å; Y193-K197 WeakPolarHBondContact O-CG 3.29Å; Y193-K197 PolarHBondContact O-N 3.47Å; E194-K197 PolarHBondContact O-N 3.48Å; E194-K197 VanDerWaalsContact O-N 3.15Å; D195-K197 PolarHBondContact O-N 3.31Å; K197-G259 WeakPolarHBondContact CE-O 3.28Å; K197-G259 PolarHBondContact NZ-O 2.65Å; K197-V261 HydrophobicContact CB-CG2 4Å; K197-V261 HydrophobicContact CG-CG2 3.95Å; K197-L295 HydrophobicContact CB-CD1 3.39Å |
| 198 | E | 98.6 | Very high | 98.8 | Very high | 102 Ų | 102 | 35.2 Ų | 35.2 | 48% | 0.477 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -76.5 | -46.9 | 177.8 | -179.7 | -177.8 | -132.4 | 0 | 0 | 112.2 | E194 D195 R202 R292 L295 | E194-E198 WeakPolarHBondContact O-CB 3.29Å; E194-E198 PolarHBondContact O-N 3.03Å; D195-E198 PolarHBondContact O-N 2.91Å; E198-R202 IonicContact OE2-NH2 3.41Å; E198-R292 IonicContact OE1-CZ 2.63Å; E198-R292 IonicContact OE1-NH1 3.16Å; E198-R292 PolarHBondContact OE1-NH1 3.35Å; E198-R292 IonicContact OE2-CZ 3.63Å; E198-R292 VanDerWaalsContact OE2-CZ 3.24Å; E198-R292 IonicContact OE2-NH1 3.87Å; E198-R292 PolarHBondContact OE2-NH1 3.08Å; E198-R292 IonicContact OE2-NH2 3.85Å; E198-R292 PolarHBondContact OE2-NH2 3.39Å; E198-L295 HydrophobicContact CB-CD1 4.4Å; E198-L295 HydrophobicContact CB-CD2 4.04Å |
| 199 | D | 98.7 | Very high | 98.8 | Very high | 58 Ų | 58 | 40.3 Ų | 40.3 | 31% | 0.31 | 18% | 0.182 | S | C | . | . | trans | -146.9 | 77 | -173.9 | -174.3 | -6 | 0 | 0 | 0 | 110.5 | D195 R201 R202 E203 | D195-D199 PolarHBondContact O-N 3.33Å; D199-R201 PolarHBondContact O-N 3.02Å; D199-R201 PolarHBondContact OD1-N 3.11Å; D199-R202 HydrophobicContact CB-CB 4.25Å; D199-R202 VanDerWaalsContact CG-CB 3.41Å; D199-R202 PolarHBondContact O-N 3.33Å; D199-R202 PolarHBondContact OD1-N 3.5Å; D199-R202 VanDerWaalsContact OD1-N 3.1Å; D199-R202 VanDerWaalsContact OD2-CB 3.27Å; D199-R202 WeakPolarHBondContact OD2-CB 3.46Å; D199-R202 IonicContact OD2-CZ 3.92Å; D199-R202 IonicContact OD2-NE 2.86Å; D199-R202 IonicContact OD2-NH1 3.95Å; D199-R202 PolarHBondContact OD2-NH1 2.91Å; D199-E203 WeakPolarHBondContact O-CG 3.29Å; D199-E203 PolarHBondContact O-N 3.27Å | ||
| 200 | I | 98.7 | Very high | 98.8 | Very high | 38 Ų | 38 | 40.6 Ų | 40.6 | 20% | 0.195 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.2 | -31.2 | -178.6 | -170 | 56.7 | 0 | 0 | 0 | 112.6 | W53 I57 M196 E203 V204 I224 | W53-I200 HydrophobicContact CH2-CD1 4.22Å; W53-I200 HydrophobicContact CZ2-CD1 3.62Å; W53-I200 HydrophobicContact CZ2-CG1 4.29Å; I57-I200 HydrophobicContact CD1-CD1 4.09Å; M196-I200 HydrophobicContact CB-CD1 4.11Å; M196-I200 HydrophobicContact CE-CD1 4.12Å; M196-I200 WeakPolarHBondContact O-CA 3.36Å; M196-I200 WeakPolarHBondContact O-CB 3.28Å; M196-I200 PolarHBondContact O-N 3.4Å; I200-E203 PolarHBondContact O-N 3.22Å; I200-V204 HydrophobicContact CD1-CG2 4.03Å; I200-V204 HydrophobicContact CG1-CG2 4.08Å; I200-V204 WeakPolarHBondContact O-CB 3.48Å; I200-V204 VanDerWaalsContact O-CG2 3.25Å; I200-V204 WeakPolarHBondContact O-CG2 3.43Å; I200-V204 PolarHBondContact O-N 2.94Å; I200-I224 HydrophobicContact CG1-CG1 4.31Å; I200-I224 HydrophobicContact CG2-CD1 4.28Å; I200-I224 HydrophobicContact CG2-CG1 4.08Å; I200-I224 HydrophobicContact CG2-CG2 3.87Å |
| 201 | R | 98.8 | Very high | 98.8 | Very high | 114 Ų | 114 | 40.1 Ų | 40.1 | 43% | 0.43 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -65.4 | -49 | -179.2 | -178.4 | 177.4 | -67 | -80.9 | 0.1 | 110.7 | D199 E203 V204 V205 V220 D221 I224 | D199-R201 PolarHBondContact O-N 3.02Å; D199-R201 PolarHBondContact OD1-N 3.11Å; R201-E203 VanDerWaalsContact C-N 3.31Å; R201-E203 PolarHBondContact O-N 2.99Å; R201-V204 PolarHBondContact O-N 2.9Å; R201-V205 WeakPolarHBondContact O-CG2 3.31Å; R201-V205 PolarHBondContact O-N 3.05Å; R201-V220 HydrophobicContact CG-CG1 3.95Å; R201-D221 IonicContact CZ-OD1 3.15Å; R201-D221 IonicContact NH1-OD1 2.76Å; R201-D221 PolarHBondContact NH1-OD1 2.95Å; R201-D221 IonicContact NH2-OD1 2.65Å; R201-D221 PolarHBondContact NH2-OD1 3.13Å; R201-I224 HydrophobicContact CB-CD1 3.82Å; R201-I224 HydrophobicContact CG-CD1 4.18Å |
| 202 | R | 98.8 | Very high | 98.8 | Very high | 104 Ų | 104 | 47.2 Ų | 47.2 | 39% | 0.392 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -57.8 | -44.8 | 176.4 | 179.2 | -176.7 | 69.3 | -139.1 | 11.7 | 111.7 | E198 D199 V205 K206 | E198-R202 IonicContact OE2-NH2 3.41Å; D199-R202 HydrophobicContact CB-CB 4.25Å; D199-R202 VanDerWaalsContact CG-CB 3.41Å; D199-R202 PolarHBondContact O-N 3.33Å; D199-R202 PolarHBondContact OD1-N 3.5Å; D199-R202 VanDerWaalsContact OD1-N 3.1Å; D199-R202 VanDerWaalsContact OD2-CB 3.27Å; D199-R202 WeakPolarHBondContact OD2-CB 3.46Å; D199-R202 IonicContact OD2-CZ 3.92Å; D199-R202 IonicContact OD2-NE 2.86Å; D199-R202 IonicContact OD2-NH1 3.95Å; D199-R202 PolarHBondContact OD2-NH1 2.91Å; R202-V205 PolarHBondContact O-N 3.31Å; R202-K206 WeakPolarHBondContact O-CB 3.46Å; R202-K206 PolarHBondContact O-N 3.03Å |
| 203 | E | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70.8 | -33.9 | -177.8 | -60.5 | -50.3 | 119.1 | 0 | 0 | 112.9 | M191 D195 M196 D199 I200 R201 K206 L207 | M191-E203 HydrophobicContact CE-CB 3.8Å; M191-E203 HydrophobicContact CE-CG 4.41Å; M191-E203 WeakPolarHBondContact CE-OE2 3.39Å; D195-E203 HydrophobicContact CB-CG 3.96Å; M196-E203 HydrophobicContact CG-CB 4Å; M196-E203 HydrophobicContact CG-CG 4.13Å; D199-E203 WeakPolarHBondContact O-CG 3.29Å; D199-E203 PolarHBondContact O-N 3.27Å; I200-E203 PolarHBondContact O-N 3.22Å; R201-E203 VanDerWaalsContact C-N 3.31Å; R201-E203 PolarHBondContact O-N 2.99Å; E203-K206 IonicContact OE1-NZ 3.24Å; E203-K206 PolarHBondContact OE1-NZ 3.17Å; E203-K206 IonicContact OE2-NZ 3.71Å; E203-K206 PolarHBondContact OE2-NZ 2.9Å; E203-L207 WeakPolarHBondContact O-CG 3.35Å; E203-L207 PolarHBondContact O-N 3.1Å; E203-L207 VanDerWaalsContact O-N 3.08Å |
| 204 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67.8 | -44.4 | 172.6 | 167.9 | 0 | 0 | 0 | 0 | 111.5 | I57 I200 R201 K206 L207 I208 V220 I223 I224 | I57-V204 HydrophobicContact CD1-CG2 4.37Å; I57-V204 HydrophobicContact CG2-CG2 4.2Å; I200-V204 HydrophobicContact CD1-CG2 4.03Å; I200-V204 HydrophobicContact CG1-CG2 4.08Å; I200-V204 WeakPolarHBondContact O-CB 3.48Å; I200-V204 VanDerWaalsContact O-CG2 3.25Å; I200-V204 WeakPolarHBondContact O-CG2 3.43Å; I200-V204 PolarHBondContact O-N 2.94Å; R201-V204 PolarHBondContact O-N 2.9Å; V204-K206 VanDerWaalsContact C-N 3.34Å; V204-K206 PolarHBondContact O-N 3.29Å; V204-L207 WeakPolarHBondContact O-CB 2.86Å; V204-L207 PolarHBondContact O-N 2.73Å; V204-I208 HydrophobicContact CG1-CD1 3.82Å; V204-I208 HydrophobicContact CG1-CG1 4.44Å; V204-I208 WeakPolarHBondContact O-CG1 3.46Å; V204-I208 PolarHBondContact O-N 3.11Å; V204-V220 HydrophobicContact CG1-CG1 4.14Å; V204-V220 HydrophobicContact CG1-CG2 4.43Å; V204-I223 HydrophobicContact CG1-CB 4.21Å; V204-I223 HydrophobicContact CG1-CD1 4.07Å; V204-I223 HydrophobicContact CG1-CG2 3.83Å; V204-I223 HydrophobicContact CG2-CG2 3.88Å; V204-I224 HydrophobicContact CG2-CG1 4.37Å |
| 205 | V | 98.9 | Very high | 98.6 | Very high | 38 Ų | 38 | 56.8 Ų | 56.8 | 23% | 0.23 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.6 | -46.5 | 176 | 170.1 | 0 | 0 | 0 | 0 | 110.6 | R201 R202 L207 I208 E209 P215 V220 | R201-V205 WeakPolarHBondContact O-CG2 3.31Å; R201-V205 PolarHBondContact O-N 3.05Å; R202-V205 PolarHBondContact O-N 3.31Å; V205-L207 VanDerWaalsContact C-N 3.28Å; V205-L207 PolarHBondContact O-N 2.81Å; V205-I208 PolarHBondContact O-N 3.38Å; V205-I208 VanDerWaalsContact O-N 3.13Å; V205-E209 HydrophobicContact CG1-CG 4.35Å; V205-E209 WeakPolarHBondContact O-CG 3.28Å; V205-E209 PolarHBondContact O-N 3.22Å; V205-P215 HydrophobicContact CG1-CB 4.01Å; V205-P215 HydrophobicContact CG1-CG 4.32Å; V205-P215 HydrophobicContact CG2-CB 4.28Å; V205-V220 HydrophobicContact CG2-CG1 4.35Å; V205-V220 HydrophobicContact CG2-CG2 3.99Å |
| 206 | K | 98.9 | Very high | 98.5 | Very high | 67 Ų | 67 | 60.8 Ų | 60.8 | 29% | 0.291 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -55.5 | -41.5 | 175.3 | -174.9 | -170.9 | -58.1 | 168.2 | 0 | 112.4 | L189 R202 E203 V204 F210 | L189-K206 HydrophobicContact CD1-CD 4.15Å; L189-K206 HydrophobicContact CD1-CG 4.27Å; R202-K206 WeakPolarHBondContact O-CB 3.46Å; R202-K206 PolarHBondContact O-N 3.03Å; E203-K206 IonicContact OE1-NZ 3.24Å; E203-K206 PolarHBondContact OE1-NZ 3.17Å; E203-K206 IonicContact OE2-NZ 3.71Å; E203-K206 PolarHBondContact OE2-NZ 2.9Å; V204-K206 VanDerWaalsContact C-N 3.34Å; V204-K206 PolarHBondContact O-N 3.29Å; K206-F210 VanDerWaalsContact O-CB 3.28Å; K206-F210 WeakPolarHBondContact O-CB 3.36Å; K206-F210 PolarHBondContact O-N 3.35Å |
| 207 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.1 | -45 | 176.1 | -82.6 | 165.8 | 0 | 0 | 0 | 112.2 | I54 I57 V58 I61 I126 L189 M191 E203 V204 V205 E209 F210 L211 | I54-L207 HydrophobicContact CD1-CD1 4.35Å; I54-L207 HydrophobicContact CD1-CD2 4.42Å; I54-L207 HydrophobicContact CG1-CD1 4.15Å; I57-L207 HydrophobicContact CG2-CD1 3.69Å; V58-L207 HydrophobicContact CG2-CD2 4.49Å; I61-L207 HydrophobicContact CD1-CB 3.92Å; I126-L207 HydrophobicContact CD1-CD2 3.59Å; I126-L207 HydrophobicContact CG1-CD2 4.14Å; I126-L207 HydrophobicContact CG2-CD2 4.13Å; L189-L207 HydrophobicContact CD2-CD2 3.77Å; L189-L207 HydrophobicContact CD2-CG 4.38Å; M191-L207 HydrophobicContact CE-CD1 3.87Å; M191-L207 HydrophobicContact CE-CD2 4.43Å; M191-L207 HydrophobicContact CE-CG 3.85Å; M191-L207 HydrophobicContact SD-CD1 4.08Å; M191-L207 HydrophobicContact SD-CD2 3.64Å; M191-L207 HydrophobicContact SD-CG 3.73Å; E203-L207 WeakPolarHBondContact O-CG 3.35Å; E203-L207 PolarHBondContact O-N 3.1Å; E203-L207 VanDerWaalsContact O-N 3.08Å; V204-L207 WeakPolarHBondContact O-CB 2.86Å; V204-L207 PolarHBondContact O-N 2.73Å; V205-L207 VanDerWaalsContact C-N 3.28Å; V205-L207 PolarHBondContact O-N 2.81Å; L207-E209 VanDerWaalsContact C-N 3.35Å; L207-E209 PolarHBondContact O-N 2.95Å; L207-F210 PolarHBondContact O-N 3.18Å; L207-L211 WeakPolarHBondContact O-CB 3.22Å; L207-L211 WeakPolarHBondContact O-CG 3.14Å; L207-L211 PolarHBondContact O-N 3.21Å |
| 208 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.4 | -46.4 | 178.8 | -70.1 | 166.8 | 0 | 0 | 0 | 110.6 | I61 V204 V205 L211 E212 R213 P215 L219 V220 I223 | I61-I208 HydrophobicContact CD1-CG1 3.66Å; I61-I208 HydrophobicContact CG1-CG1 3.76Å; I61-I208 HydrophobicContact CG2-CG1 4.35Å; V204-I208 HydrophobicContact CG1-CD1 3.82Å; V204-I208 HydrophobicContact CG1-CG1 4.44Å; V204-I208 WeakPolarHBondContact O-CG1 3.46Å; V204-I208 PolarHBondContact O-N 3.11Å; V205-I208 PolarHBondContact O-N 3.38Å; V205-I208 VanDerWaalsContact O-N 3.13Å; I208-L211 CarbonylContact O-C 3.46Å; I208-L211 PolarHBondContact O-N 3.45Å; I208-E212 PolarHBondContact O-N 3.19Å; I208-R213 HydrophobicContact CG2-CB 3.89Å; I208-R213 WeakPolarHBondContact CG2-O 3.35Å; I208-R213 PolarHBondContact O-N 3.23Å; I208-P215 HydrophobicContact CB-CB 4.27Å; I208-P215 HydrophobicContact CD1-CB 4.37Å; I208-P215 HydrophobicContact CG2-CB 3.87Å; I208-L219 HydrophobicContact CD1-CD2 4.29Å; I208-L219 HydrophobicContact CD1-CG 4.44Å; I208-V220 HydrophobicContact CD1-CG2 3.71Å; I208-I223 HydrophobicContact CD1-CD1 4.03Å |
| 209 | E | 98.8 | Very high | 98.4 | Very high | 115 Ų | 115 | 62.6 Ų | 62.6 | 54% | 0.537 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.6 | -44.4 | 177.7 | -69.4 | 174 | 163.2 | 0 | 0 | 112 | V205 L207 L211 E212 P215 | V205-E209 HydrophobicContact CG1-CG 4.35Å; V205-E209 WeakPolarHBondContact O-CG 3.28Å; V205-E209 PolarHBondContact O-N 3.22Å; L207-E209 VanDerWaalsContact C-N 3.35Å; L207-E209 PolarHBondContact O-N 2.95Å; E209-L211 PolarHBondContact O-N 3.32Å; E209-E212 WeakPolarHBondContact O-CA 3.4Å; E209-E212 PolarHBondContact O-N 3.31Å; E209-P215 HydrophobicContact CG-CG 4.3Å |
| 210 | F | 98.8 | Very high | 98.4 | Very high | 33 Ų | 33 | 59.9 Ų | 59.9 | 15% | 0.145 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.7 | -33.1 | 174.9 | 174.4 | -103.6 | 0 | 0 | 0 | 112.3 | L41 K124 I126 R187 L189 K206 L207 E212 | L41-F210 HydrophobicContact CD1-CE1 4.41Å; K124-F210 HydrophobicContact CB-CE1 4.11Å; K124-F210 HydrophobicContact CB-CZ 4.03Å; K124-F210 HydrophobicContact CD-CE1 4.11Å; K124-F210 HydrophobicContact CD-CZ 4.16Å; K124-F210 HydrophobicContact CG-CE1 4.44Å; K124-F210 HydrophobicContact CG-CZ 4.17Å; K124-F210 PolarHBondContact NZ-O 2.83Å; I126-F210 HydrophobicContact CD1-CD1 4.41Å; I126-F210 HydrophobicContact CD1-CE1 4.37Å; I126-F210 HydrophobicContact CG1-CD1 4.03Å; I126-F210 HydrophobicContact CG1-CE1 3.7Å; R187-F210 WeakPolarHBondContact O-CZ 3.39Å; L189-F210 HydrophobicContact CB-CD1 3.98Å; L189-F210 HydrophobicContact CB-CD2 3.84Å; L189-F210 HydrophobicContact CB-CE1 3.92Å; L189-F210 HydrophobicContact CB-CE2 3.77Å; L189-F210 HydrophobicContact CB-CG 3.94Å; L189-F210 HydrophobicContact CB-CZ 3.81Å; L189-F210 HydrophobicContact CD1-CD2 4.47Å; L189-F210 HydrophobicContact CD2-CB 3.86Å; L189-F210 HydrophobicContact CD2-CD1 3.91Å; L189-F210 HydrophobicContact CD2-CD2 4.41Å; L189-F210 HydrophobicContact CD2-CG 3.8Å; L189-F210 HydrophobicContact CG-CD2 4.46Å; L189-F210 HydrophobicContact CG-CG 4.31Å; K206-F210 VanDerWaalsContact O-CB 3.28Å; K206-F210 WeakPolarHBondContact O-CB 3.36Å; K206-F210 PolarHBondContact O-N 3.35Å; L207-F210 PolarHBondContact O-N 3.18Å; F210-E212 PolarHBondContact O-N 3.48Å |
| 211 | L | 98.6 | Very high | 98.4 | Very high | 14 Ų | 14 | 61.7 Ų | 61.7 | 7% | 0.073 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 7.4 | 175.8 | -64.4 | 176.1 | 0 | 0 | 0 | 113.5 | L41 V58 I61 Y62 I126 L207 I208 E209 R213 | L41-L211 HydrophobicContact CD1-CD2 3.87Å; L41-L211 HydrophobicContact CD2-CD1 4.36Å; L41-L211 HydrophobicContact CD2-CD2 3.54Å; L41-L211 HydrophobicContact CG-CD2 4.35Å; V58-L211 HydrophobicContact CG1-CD1 4.37Å; I61-L211 HydrophobicContact CB-CD1 4.34Å; I61-L211 HydrophobicContact CD1-CD1 4.08Å; I61-L211 HydrophobicContact CG2-CD1 3.83Å; Y62-L211 HydrophobicContact CD2-CD1 4.46Å; Y62-L211 HydrophobicContact CE2-CD1 4.01Å; Y62-L211 HydrophobicContact CE2-CD2 4.27Å; I126-L211 HydrophobicContact CD1-CD2 4.45Å; L207-L211 WeakPolarHBondContact O-CB 3.22Å; L207-L211 WeakPolarHBondContact O-CG 3.14Å; L207-L211 PolarHBondContact O-N 3.21Å; I208-L211 CarbonylContact O-C 3.46Å; I208-L211 PolarHBondContact O-N 3.45Å; E209-L211 PolarHBondContact O-N 3.32Å; L211-R213 VanDerWaalsContact C-N 3.32Å; L211-R213 PolarHBondContact O-N 2.84Å |
| 212 | E | 98.3 | Very high | 98.3 | Very high | 151 Ų | 151 | 60.5 Ų | 60.5 | 71% | 0.706 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 42.9 | 177.3 | -63.8 | 165.8 | -138.2 | 0 | 0 | 112.4 | K124 I208 E209 F210 | K124-E212 VanDerWaalsContact CE-OE1 3.26Å; K124-E212 WeakPolarHBondContact CE-OE1 3.34Å; K124-E212 VanDerWaalsContact NZ-CD 3.27Å; K124-E212 IonicContact NZ-OE1 3.58Å; K124-E212 PolarHBondContact NZ-OE1 3.31Å; I208-E212 PolarHBondContact O-N 3.19Å; E209-E212 WeakPolarHBondContact O-CA 3.4Å; E209-E212 PolarHBondContact O-N 3.31Å; F210-E212 PolarHBondContact O-N 3.48Å |
| 213 | R | 98 | Very high | 98.3 | Very high | 74 Ų | 74 | 55.6 Ų | 55.6 | 28% | 0.279 | 28% | 0.283 | S | S | . | . | trans | -121.1 | 163.3 | 174.9 | -69.5 | 175.5 | -176.7 | -103.1 | 3 | 110.4 | I61 E64 I208 L211 | I61-R213 VanDerWaalsContact CG2-CD 3.41Å; I61-R213 PolarHBondContact O-NH1 3.17Å; E64-R213 IonicContact OE1-NH1 3.81Å; I208-R213 HydrophobicContact CG2-CB 3.89Å; I208-R213 WeakPolarHBondContact CG2-O 3.35Å; I208-R213 PolarHBondContact O-N 3.23Å; L211-R213 VanDerWaalsContact C-N 3.32Å; L211-R213 PolarHBondContact O-N 2.84Å | ||
| 214 | D | 97.5 | Very high | 98.3 | Very high | 125 Ų | 125 | 57.3 Ų | 57.3 | 67% | 0.668 | 29% | 0.291 | S | S | * | . | trans | -82.8 | 124 | -179.2 | -67 | -35.2 | 0 | 0 | 0 | 111.7 | L216 | D214-L216 HydrophobicContact CB-CD2 4.3Å; D214-L216 HydrophobicContact CB-CG 4.25Å; D214-L216 PolarHBondContact O-N 3.09Å | ||
| 215 | P | 96.6 | Very high | 98.3 | Very high | 51 Ų | 51 | 63.3 Ų | 63.3 | 33% | 0.331 | 32% | 0.319 | S | S | . | . | trans | -79.5 | 61.9 | 179.7 | 33.4 | -35.7 | 0 | 0 | 0 | 111.9 | V205 I208 E209 A217 V220 | V205-P215 HydrophobicContact CG1-CB 4.01Å; V205-P215 HydrophobicContact CG1-CG 4.32Å; V205-P215 HydrophobicContact CG2-CB 4.28Å; I208-P215 HydrophobicContact CB-CB 4.27Å; I208-P215 HydrophobicContact CD1-CB 4.37Å; I208-P215 HydrophobicContact CG2-CB 3.87Å; E209-P215 HydrophobicContact CG-CG 4.3Å; P215-A217 PolarHBondContact O-N 3Å; P215-V220 HydrophobicContact CB-CG2 4.41Å | ||
| 216 | L | 97.7 | Very high | 98.3 | Very high | 114 Ų | 114 | 62 Ų | 62 | 60% | 0.597 | 31% | 0.311 | S | S | * | . | trans | -59.4 | 133.5 | 176.2 | -58 | 179.2 | 0 | 0 | 0 | 110.2 | D214 E218 L219 V220 | D214-L216 HydrophobicContact CB-CD2 4.3Å; D214-L216 HydrophobicContact CB-CG 4.25Å; D214-L216 PolarHBondContact O-N 3.09Å; L216-E218 VanDerWaalsContact C-N 3.26Å; L216-E218 PolarHBondContact O-N 2.79Å; L216-L219 HydrophobicContact CB-CB 4.22Å; L216-L219 WeakPolarHBondContact O-CB 3.37Å; L216-L219 PolarHBondContact O-N 3.29Å; L216-V220 WeakPolarHBondContact O-CG2 3.09Å; L216-V220 PolarHBondContact O-N 3.34Å | ||
| 217 | A | 97.4 | Very high | 98.3 | Very high | 67 Ų | 67 | 58.9 Ų | 58.9 | 55% | 0.554 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -54.3 | -42.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | P215 L219 V220 D221 | P215-A217 PolarHBondContact O-N 3Å; A217-L219 PolarHBondContact O-N 3.43Å; A217-V220 PolarHBondContact O-N 3.34Å; A217-D221 WeakPolarHBondContact O-CB 3.47Å; A217-D221 PolarHBondContact O-N 3Å |
| 218 | E | 97.6 | Very high | 98.3 | Very high | 128 Ų | 128 | 60.7 Ų | 60.7 | 60% | 0.598 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -63.8 | -40.7 | 177.9 | -170.9 | -172.4 | 161.3 | 0 | 0 | 112.6 | L216 D221 K222 | L216-E218 VanDerWaalsContact C-N 3.26Å; L216-E218 PolarHBondContact O-N 2.79Å; E218-D221 PolarHBondContact O-N 2.91Å; E218-K222 WeakPolarHBondContact O-CG 3.48Å; E218-K222 PolarHBondContact O-N 3.04Å; E218-K222 WeakPolarHBondContact OE1-CE 3.36Å; E218-K222 IonicContact OE1-NZ 2.68Å; E218-K222 PolarHBondContact OE1-NZ 2.86Å |
| 219 | L | 97.9 | Very high | 98.3 | Very high | 22 Ų | 22 | 63.5 Ų | 63.5 | 12% | 0.115 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.9 | -47.6 | 176 | 173.2 | 60.1 | 0 | 0 | 0 | 110.4 | E64 I208 L216 A217 D221 K222 I223 | E64-L219 VanDerWaalsContact C-CD1 3.47Å; I208-L219 HydrophobicContact CD1-CD2 4.29Å; I208-L219 HydrophobicContact CD1-CG 4.44Å; L216-L219 HydrophobicContact CB-CB 4.22Å; L216-L219 WeakPolarHBondContact O-CB 3.37Å; L216-L219 PolarHBondContact O-N 3.29Å; A217-L219 PolarHBondContact O-N 3.43Å; L219-D221 VanDerWaalsContact C-N 3.32Å; L219-D221 PolarHBondContact O-N 3.41Å; L219-K222 PolarHBondContact O-N 2.97Å; L219-I223 HydrophobicContact CD1-CD1 3.75Å; L219-I223 HydrophobicContact CD1-CG1 4.15Å; L219-I223 HydrophobicContact CG-CD1 3.79Å; L219-I223 WeakPolarHBondContact O-CD1 3.23Å; L219-I223 VanDerWaalsContact O-CG1 3.28Å; L219-I223 WeakPolarHBondContact O-CG1 3.13Å; L219-I223 PolarHBondContact O-N 3.32Å |
| 220 | V | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 62.9 Ų | 62.9 | 1% | 0.012 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.8 | -45.1 | 178.1 | 175.7 | 0 | 0 | 0 | 0 | 110.7 | R201 V204 V205 I208 P215 L216 A217 I223 I224 | R201-V220 HydrophobicContact CG-CG1 3.95Å; V204-V220 HydrophobicContact CG1-CG1 4.14Å; V204-V220 HydrophobicContact CG1-CG2 4.43Å; V205-V220 HydrophobicContact CG2-CG1 4.35Å; V205-V220 HydrophobicContact CG2-CG2 3.99Å; I208-V220 HydrophobicContact CD1-CG2 3.71Å; P215-V220 HydrophobicContact CB-CG2 4.41Å; L216-V220 WeakPolarHBondContact O-CG2 3.09Å; L216-V220 PolarHBondContact O-N 3.34Å; A217-V220 PolarHBondContact O-N 3.34Å; V220-I223 PolarHBondContact O-N 3.13Å; V220-I224 HydrophobicContact CG1-CD1 3.72Å; V220-I224 HydrophobicContact CG1-CG1 4.41Å; V220-I224 VanDerWaalsContact O-CG1 3.25Å; V220-I224 WeakPolarHBondContact O-CG1 3.41Å; V220-I224 PolarHBondContact O-N 3.1Å |
| 221 | D | 98.6 | Very high | 98.3 | Very high | 75 Ų | 75 | 65.1 Ų | 65.1 | 40% | 0.401 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.9 | -43.6 | 179.7 | -69.1 | -10.1 | 0 | 0 | 0 | 112.1 | R201 A217 E218 L219 I224 Q225 | R201-D221 IonicContact CZ-OD1 3.15Å; R201-D221 IonicContact NH1-OD1 2.76Å; R201-D221 PolarHBondContact NH1-OD1 2.95Å; R201-D221 IonicContact NH2-OD1 2.65Å; R201-D221 PolarHBondContact NH2-OD1 3.13Å; A217-D221 WeakPolarHBondContact O-CB 3.47Å; A217-D221 PolarHBondContact O-N 3Å; E218-D221 PolarHBondContact O-N 2.91Å; L219-D221 VanDerWaalsContact C-N 3.32Å; L219-D221 PolarHBondContact O-N 3.41Å; D221-I224 PolarHBondContact O-N 3.45Å; D221-Q225 WeakPolarHBondContact O-CB 3.15Å; D221-Q225 PolarHBondContact O-N 3.13Å |
| 222 | K | 98.5 | Very high | 98.3 | Very high | 90 Ų | 90 | 64.6 Ų | 64.6 | 39% | 0.391 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 175.3 | -76.2 | 176.8 | -174.5 | 168.1 | 0 | 111.9 | M60 E218 L219 Q225 H226 | M60-K222 HydrophobicContact CE-CB 4.46Å; E218-K222 WeakPolarHBondContact O-CG 3.48Å; E218-K222 PolarHBondContact O-N 3.04Å; E218-K222 WeakPolarHBondContact OE1-CE 3.36Å; E218-K222 IonicContact OE1-NZ 2.68Å; E218-K222 PolarHBondContact OE1-NZ 2.86Å; L219-K222 PolarHBondContact O-N 2.97Å; K222-Q225 PolarHBondContact O-N 2.91Å; K222-H226 WeakPolarHBondContact O-CB 3.48Å; K222-H226 PolarHBondContact O-N 3.33Å |
| 223 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.9 | -50.5 | 177.1 | -70.1 | 162.9 | 0 | 0 | 0 | 110.1 | I57 M60 I61 V204 I208 L219 V220 Q225 H226 T227 | I57-I223 HydrophobicContact CB-CG2 4.36Å; I57-I223 HydrophobicContact CG1-CG2 4.12Å; I57-I223 HydrophobicContact CG2-CG2 3.92Å; M60-I223 HydrophobicContact CB-CG1 3.85Å; M60-I223 HydrophobicContact CE-CG1 4.35Å; I61-I223 HydrophobicContact CG1-CD1 3.57Å; V204-I223 HydrophobicContact CG1-CB 4.21Å; V204-I223 HydrophobicContact CG1-CD1 4.07Å; V204-I223 HydrophobicContact CG1-CG2 3.83Å; V204-I223 HydrophobicContact CG2-CG2 3.88Å; I208-I223 HydrophobicContact CD1-CD1 4.03Å; L219-I223 HydrophobicContact CD1-CD1 3.75Å; L219-I223 HydrophobicContact CD1-CG1 4.15Å; L219-I223 HydrophobicContact CG-CD1 3.79Å; L219-I223 WeakPolarHBondContact O-CD1 3.23Å; L219-I223 VanDerWaalsContact O-CG1 3.28Å; L219-I223 WeakPolarHBondContact O-CG1 3.13Å; L219-I223 PolarHBondContact O-N 3.32Å; V220-I223 PolarHBondContact O-N 3.13Å; I223-Q225 VanDerWaalsContact C-N 3.33Å; I223-Q225 PolarHBondContact O-N 2.91Å; I223-H226 PolarHBondContact O-N 3.33Å; I223-T227 HydrophobicContact CG2-CG2 4.35Å; I223-T227 VanDerWaalsContact O-CB 3.3Å; I223-T227 WeakPolarHBondContact O-CB 3.48Å; I223-T227 WeakPolarHBondContact O-CG2 3.35Å; I223-T227 PolarHBondContact O-N 3.07Å; I223-T227 PolarHBondContact O-OG1 2.97Å |
| 224 | I | 98.8 | Very high | 98.4 | Very high | 37 Ų | 37 | 62.3 Ų | 62.3 | 19% | 0.19 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.3 | -45.1 | -178.2 | -69.8 | 167.7 | 0 | 0 | 0 | 111.1 | I200 R201 V204 V220 D221 S228 | I200-I224 HydrophobicContact CG1-CG1 4.31Å; I200-I224 HydrophobicContact CG2-CD1 4.28Å; I200-I224 HydrophobicContact CG2-CG1 4.08Å; I200-I224 HydrophobicContact CG2-CG2 3.87Å; R201-I224 HydrophobicContact CB-CD1 3.82Å; R201-I224 HydrophobicContact CG-CD1 4.18Å; V204-I224 HydrophobicContact CG2-CG1 4.37Å; V220-I224 HydrophobicContact CG1-CD1 3.72Å; V220-I224 HydrophobicContact CG1-CG1 4.41Å; V220-I224 VanDerWaalsContact O-CG1 3.25Å; V220-I224 WeakPolarHBondContact O-CG1 3.41Å; V220-I224 PolarHBondContact O-N 3.1Å; D221-I224 PolarHBondContact O-N 3.45Å; I224-S228 PolarHBondContact O-N 3.3Å |
| 225 | Q | 98.7 | Very high | 98.4 | Very high | 126 Ų | 126 | 57 Ų | 57 | 59% | 0.589 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -62.9 | -56.5 | -179.9 | -177.7 | 65.8 | 16.2 | 0 | 0 | 111.1 | D221 K222 I223 T227 S228 E231 | D221-Q225 WeakPolarHBondContact O-CB 3.15Å; D221-Q225 PolarHBondContact O-N 3.13Å; K222-Q225 PolarHBondContact O-N 2.91Å; I223-Q225 VanDerWaalsContact C-N 3.33Å; I223-Q225 PolarHBondContact O-N 2.91Å; Q225-T227 VanDerWaalsContact C-N 3.31Å; Q225-T227 PolarHBondContact O-N 2.88Å; Q225-S228 VanDerWaalsContact O-CB 3.32Å; Q225-S228 WeakPolarHBondContact O-CB 3.45Å; Q225-S228 PolarHBondContact O-N 3.5Å; Q225-S228 PolarHBondContact O-OG 3.24Å; Q225-E231 VanDerWaalsContact O-CG 3.3Å; Q225-E231 WeakPolarHBondContact O-CG 3.49Å |
| 226 | H | 98.7 | Very high | 98.5 | Very high | 12 Ų | 12 | 57.7 Ų | 57.7 | 6% | 0.056 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.3 | -33.3 | -175.2 | 179.4 | 74.7 | 0 | 0 | 0 | 113 | E56 M60 V67 K222 I223 S228 E231 | E56-H226 IonicContact OE1-CD2 3.62Å; E56-H226 IonicContact OE1-CE1 2.75Å; E56-H226 IonicContact OE1-NE2 3.39Å; E56-H226 PolarHBondContact OE1-NE2 3.37Å; M60-H226 HydrophobicContact CE-CB 3.87Å; M60-H226 HydrophobicContact SD-CB 4.44Å; M60-H226 PolarHBondContact SD-CD2 3.43Å; V67-H226 HydrophobicContact CG2-CB 4.25Å; K222-H226 WeakPolarHBondContact O-CB 3.48Å; K222-H226 PolarHBondContact O-N 3.33Å; I223-H226 PolarHBondContact O-N 3.33Å; H226-S228 VanDerWaalsContact C-N 3.33Å; H226-E231 WeakPolarHBondContact O-CB 3.36Å |
| 227 | T | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 10.9 | 179.9 | 68.7 | 0 | 0 | 0 | 0 | 113.4 | W53 E56 I57 M60 I223 Q225 | W53-T227 PolarHBondContact NE1-O 3.44Å; E56-T227 HydrophobicContact CB-CG2 4.23Å; E56-T227 HydrophobicContact CG-CG2 3.88Å; I57-T227 HydrophobicContact CG1-CG2 3.7Å; M60-T227 HydrophobicContact CG-CG2 4.33Å; I223-T227 HydrophobicContact CG2-CG2 4.35Å; I223-T227 VanDerWaalsContact O-CB 3.3Å; I223-T227 WeakPolarHBondContact O-CB 3.48Å; I223-T227 WeakPolarHBondContact O-CG2 3.35Å; I223-T227 PolarHBondContact O-N 3.07Å; I223-T227 PolarHBondContact O-OG1 2.97Å; Q225-T227 VanDerWaalsContact C-N 3.31Å; Q225-T227 PolarHBondContact O-N 2.88Å |
| 228 | S | 98.8 | Very high | 98.6 | Very high | 38 Ų | 38 | 49.8 Ų | 49.8 | 27% | 0.266 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -63.4 | 149.5 | 170.1 | 76.1 | 0 | 0 | 0 | 0 | 110.5 | I224 Q225 H226 Q230 E231 M232 | I224-S228 PolarHBondContact O-N 3.3Å; Q225-S228 VanDerWaalsContact O-CB 3.32Å; Q225-S228 WeakPolarHBondContact O-CB 3.45Å; Q225-S228 PolarHBondContact O-N 3.5Å; Q225-S228 PolarHBondContact O-OG 3.24Å; H226-S228 VanDerWaalsContact C-N 3.33Å; S228-Q230 PolarHBondContact O-N 2.82Å; S228-E231 PolarHBondContact O-N 3.43Å; S228-E231 WeakPolarHBondContact OG-CB 3.48Å; S228-E231 VanDerWaalsContact OG-CG 3.31Å; S228-E231 WeakPolarHBondContact OG-CG 3.4Å; S228-E231 PolarHBondContact OG-N 2.92Å; S228-M232 WeakPolarHBondContact O-CG 3.47Å; S228-M232 PolarHBondContact O-N 3.39Å |
| 229 | F | 98.7 | Very high | 98.6 | Very high | 59 Ų | 59 | 44.8 Ų | 44.8 | 26% | 0.259 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -56.8 | -38.4 | -176.8 | 176.4 | -100.9 | 0 | 0 | 0 | 112.6 | K233 M256 K258 | F229-K233 HydrophobicContact CE1-CD 3.86Å; F229-K233 HydrophobicContact CZ-CD 4.07Å; F229-K233 WeakPolarHBondContact O-CB 3.43Å; F229-K233 PolarHBondContact O-N 3.41Å; F229-M256 HydrophobicContact CE2-CB 4Å; F229-M256 HydrophobicContact CE2-SD 4.39Å; F229-M256 HydrophobicContact CZ-CB 4.23Å; F229-M256 WeakPolarHBondContact CZ-O 3.46Å; F229-K258 VanDerWaalsContact CZ-C 3.45Å |
| 230 | Q | 98.7 | Very high | 98.6 | Very high | 101 Ų | 101 | 44.7 Ų | 44.7 | 47% | 0.472 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -71.5 | -40 | -177.4 | -170.3 | 55.1 | 59 | 0 | 0 | 112.1 | S228 N234 | S228-Q230 PolarHBondContact O-N 2.82Å; Q230-N234 PolarHBondContact NE2-ND2 3.48Å; Q230-N234 PolarHBondContact NE2-OD1 3.09Å; Q230-N234 PolarHBondContact O-N 3.27Å; Q230-N234 PolarHBondContact O-ND2 2.71Å |
| 231 | E | 98.8 | Very high | 98.5 | Very high | 80 Ų | 80 | 47.5 Ų | 47.5 | 37% | 0.374 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.3 | -51.7 | 173.9 | -72.5 | -58.2 | 126.2 | 0 | 0 | 110.8 | Q225 H226 S228 K233 N234 N235 | Q225-E231 VanDerWaalsContact O-CG 3.3Å; Q225-E231 WeakPolarHBondContact O-CG 3.49Å; H226-E231 WeakPolarHBondContact O-CB 3.36Å; S228-E231 PolarHBondContact O-N 3.43Å; S228-E231 WeakPolarHBondContact OG-CB 3.48Å; S228-E231 VanDerWaalsContact OG-CG 3.31Å; S228-E231 WeakPolarHBondContact OG-CG 3.4Å; S228-E231 PolarHBondContact OG-N 2.92Å; E231-K233 VanDerWaalsContact C-N 3.31Å; E231-K233 PolarHBondContact O-N 3.35Å; E231-N234 CarbonylContact O-C 3.59Å; E231-N234 PolarHBondContact O-N 2.94Å; E231-N234 VanDerWaalsContact O-N 3.1Å; E231-N235 WeakPolarHBondContact O-CB 3.4Å; E231-N235 PolarHBondContact O-N 3.44Å |
| 232 | M | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.015 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.6 | -36.4 | 179.4 | -65.8 | -170.4 | 74.8 | 0 | 0 | 112.7 | T52 W53 E56 S228 N234 N235 T238 M256 | T52-M232 HydrophobicContact CG2-CE 4.02Å; W53-M232 HydrophobicContact CG-SD 4.5Å; E56-M232 HydrophobicContact CB-CE 3.49Å; E56-M232 VanDerWaalsContact CB-CE 3.49Å; E56-M232 HydrophobicContact CB-SD 4.31Å; E56-M232 HydrophobicContact CG-CE 3.91Å; S228-M232 WeakPolarHBondContact O-CG 3.47Å; S228-M232 PolarHBondContact O-N 3.39Å; M232-N234 VanDerWaalsContact C-N 3.28Å; M232-N234 PolarHBondContact O-N 3.05Å; M232-N235 PolarHBondContact O-N 2.58Å; M232-T238 WeakPolarHBondContact CA-OG1 3.37Å; M232-T238 HydrophobicContact CE-CG2 3.99Å; M232-T238 PolarHBondContact O-OG1 3.49Å; M232-M256 HydrophobicContact CB-CE 3.9Å; M232-M256 HydrophobicContact CE-CE 3.96Å |
| 233 | K | 98.7 | Very high | 98.3 | Very high | 74 Ų | 74 | 46 Ų | 46 | 32% | 0.322 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.9 | -38.2 | 175.1 | -179.5 | 170.5 | -178.6 | 176.9 | 0 | 112.5 | F229 E231 N239 M256 | F229-K233 HydrophobicContact CE1-CD 3.86Å; F229-K233 HydrophobicContact CZ-CD 4.07Å; F229-K233 WeakPolarHBondContact O-CB 3.43Å; F229-K233 PolarHBondContact O-N 3.41Å; E231-K233 VanDerWaalsContact C-N 3.31Å; E231-K233 PolarHBondContact O-N 3.35Å; K233-N239 WeakPolarHBondContact O-CB 3.28Å; K233-N239 PolarHBondContact O-ND2 2.97Å; K233-M256 HydrophobicContact CB-CB 3.82Å; K233-M256 HydrophobicContact CB-CG 4.33Å; K233-M256 HydrophobicContact CD-CB 4.4Å; K233-M256 HydrophobicContact CG-CB 3.85Å |
| 234 | N | 98.6 | Very high | 98 | Very high | 103 Ų | 103 | 48.6 Ų | 48.6 | 55% | 0.551 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -87.5 | -10.5 | -179.2 | -67.5 | -18.6 | 0 | 0 | 0 | 113.3 | Q230 E231 M232 P236 | Q230-N234 PolarHBondContact NE2-ND2 3.48Å; Q230-N234 PolarHBondContact NE2-OD1 3.09Å; Q230-N234 PolarHBondContact O-N 3.27Å; Q230-N234 PolarHBondContact O-ND2 2.71Å; E231-N234 CarbonylContact O-C 3.59Å; E231-N234 PolarHBondContact O-N 2.94Å; E231-N234 VanDerWaalsContact O-N 3.1Å; M232-N234 VanDerWaalsContact C-N 3.28Å; M232-N234 PolarHBondContact O-N 3.05Å; N234-P236 WeakPolarHBondContact O-CD 3.45Å |
| 235 | N | 98.6 | Very high | 97.8 | Very high | 15 Ų | 15 | 51.4 Ų | 51.4 | 8% | 0.08 | 27% | 0.267 | C | S | . | . | trans | -89.7 | 111.9 | -179.1 | -179.2 | -1.4 | 0 | 0 | 0 | 111.9 | E231 M232 C237 T238 N239 | E231-N235 WeakPolarHBondContact O-CB 3.4Å; E231-N235 PolarHBondContact O-N 3.44Å; M232-N235 PolarHBondContact O-N 2.58Å; N235-C237 PolarHBondContact O-N 3.13Å; N235-C237 VanDerWaalsContact O-N 3.11Å; N235-C237 WeakPolarHBondContact OD1-CB 3.45Å; N235-C237 PolarHBondContact OD1-N 2.91Å; N235-T238 PolarHBondContact O-N 3.37Å; N235-T238 PolarHBondContact O-OG1 3.42Å; N235-N239 WeakPolarHBondContact O-CB 3.5Å; N235-N239 PolarHBondContact O-N 3.16Å; N235-N239 PolarHBondContact O-ND2 3.31Å; N235-N239 PolarHBondContact O-OD1 3.44Å | ||
| 236 | P | 98.3 | Very high | 97.4 | Very high | 64 Ų | 64 | 51 Ų | 51 | 42% | 0.416 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -29.6 | 178.3 | -24.6 | 35.5 | 0 | 0 | 0 | 113.8 | N234 T238 N239 M242 | N234-P236 WeakPolarHBondContact O-CD 3.45Å; P236-T238 PolarHBondContact O-N 3.37Å; P236-N239 WeakPolarHBondContact CA-OD1 3.32Å; P236-N239 PolarHBondContact O-OD1 3.35Å; P236-M242 HydrophobicContact CB-CG 4.28Å; P236-M242 HydrophobicContact CB-SD 4.5Å |
| 237 | C | 98.4 | Very high | 97.1 | Very high | 15 Ų | 15 | 51.8 Ų | 51.8 | 10% | 0.101 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -7 | -179.3 | -55.4 | 0 | 0 | 0 | 0 | 112.8 | K71 D73 I75 R78 N235 | K71-C237 PolarHBondContact O-SG 3.19Å; D73-C237 WeakPolarHBondContact O-CB 3.32Å; I75-C237 WeakPolarHBondContact CB-O 3.48Å; I75-C237 PolarHBondContact N-O 3.4Å; R78-C237 PolarHBondContact NH2-O 3.23Å; N235-C237 PolarHBondContact O-N 3.13Å; N235-C237 VanDerWaalsContact O-N 3.11Å; N235-C237 WeakPolarHBondContact OD1-CB 3.45Å; N235-C237 PolarHBondContact OD1-N 2.91Å |
| 238 | T | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -131.1 | -22.7 | 179.2 | 65 | 0 | 0 | 0 | 0 | 114.4 | T52 E56 M232 N235 P236 Y240 M256 | T52-T238 WeakPolarHBondContact CG2-O 3.38Å; E56-T238 HydrophobicContact CG-CG2 4.03Å; E56-T238 WeakPolarHBondContact OE1-CG2 3.31Å; E56-T238 WeakPolarHBondContact OE2-CG2 3.49Å; M232-T238 WeakPolarHBondContact CA-OG1 3.37Å; M232-T238 HydrophobicContact CE-CG2 3.99Å; M232-T238 PolarHBondContact O-OG1 3.49Å; N235-T238 PolarHBondContact O-N 3.37Å; N235-T238 PolarHBondContact O-OG1 3.42Å; P236-T238 PolarHBondContact O-N 3.37Å; T238-Y240 VanDerWaalsContact C-N 3.3Å; T238-Y240 WeakPolarHBondContact O-CD2 3.39Å; T238-Y240 PolarHBondContact O-N 3.18Å; T238-M256 WeakPolarHBondContact O-CE 3.43Å |
| 239 | N | 98.2 | Very high | 96.9 | Very high | 24 Ų | 24 | 50.9 Ų | 50.9 | 13% | 0.128 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -84.9 | 2 | -175.3 | 70.6 | 11.2 | 0 | 0 | 0 | 114.7 | K233 N235 P236 S241 F255 M256 | K233-N239 WeakPolarHBondContact O-CB 3.28Å; K233-N239 PolarHBondContact O-ND2 2.97Å; N235-N239 WeakPolarHBondContact O-CB 3.5Å; N235-N239 PolarHBondContact O-N 3.16Å; N235-N239 PolarHBondContact O-ND2 3.31Å; N235-N239 PolarHBondContact O-OD1 3.44Å; P236-N239 WeakPolarHBondContact CA-OD1 3.32Å; P236-N239 PolarHBondContact O-OD1 3.35Å; N239-S241 VanDerWaalsContact C-N 3.28Å; N239-S241 PolarHBondContact O-N 3.21Å; N239-S241 VanDerWaalsContact OD1-CB 3.24Å; N239-S241 WeakPolarHBondContact OD1-CB 3.47Å; N239-S241 PolarHBondContact OD1-N 2.99Å; N239-S241 PolarHBondContact OD1-OG 2.82Å; N239-F255 WeakPolarHBondContact O-CB 3.49Å; N239-M256 HydrophobicContact CB-CG 4.06Å |
| 240 | Y | 97.9 | Very high | 96.8 | Very high | 20 Ų | 20 | 50.4 Ų | 50.4 | 8% | 0.078 | 27% | 0.269 | C | S | . | . | S | Bend | trans | 66.9 | 13.2 | -178.3 | -70.1 | -97.2 | 0 | 0 | 0 | 115.9 | T52 I75 F76 T238 M242 L243 F255 | T52-Y240 HydrophobicContact CG2-CE2 3.95Å; I75-Y240 HydrophobicContact CG2-CE2 4.11Å; F76-Y240 HydrophobicContact CB-CE1 4.29Å; F76-Y240 AromaticContact CD1-CD1 3.76Å; F76-Y240 HydrophobicContact CD1-CD1 3.76Å; F76-Y240 AromaticContact CD1-CE1 3.7Å; F76-Y240 HydrophobicContact CD1-CE1 3.7Å; F76-Y240 HydrophobicContact CE1-CD1 4.18Å; F76-Y240 HydrophobicContact CG-CE1 4.41Å; T238-Y240 VanDerWaalsContact C-N 3.3Å; T238-Y240 WeakPolarHBondContact O-CD2 3.39Å; T238-Y240 PolarHBondContact O-N 3.18Å; Y240-M242 PolarHBondContact O-N 2.91Å; Y240-L243 HydrophobicContact CD1-CD1 3.68Å; Y240-L243 HydrophobicContact CD1-CG 4.36Å; Y240-L243 HydrophobicContact CE1-CD1 4.46Å; Y240-L243 PolarHBondContact O-N 3.22Å; Y240-F255 AromaticContact CD2-CD1 3.48Å; Y240-F255 HydrophobicContact CD2-CD1 3.48Å; Y240-F255 VanDerWaalsContact CD2-CD1 3.48Å; Y240-F255 AromaticContact CD2-CD2 3.81Å; Y240-F255 HydrophobicContact CD2-CD2 3.81Å; Y240-F255 AromaticContact CD2-CE1 3.47Å; Y240-F255 HydrophobicContact CD2-CE1 3.47Å; Y240-F255 VanDerWaalsContact CD2-CE1 3.47Å; Y240-F255 AromaticContact CD2-CE2 3.78Å; Y240-F255 HydrophobicContact CD2-CE2 3.78Å; Y240-F255 AromaticContact CD2-CG 3.67Å; Y240-F255 HydrophobicContact CD2-CG 3.67Å; Y240-F255 AromaticContact CD2-CZ 3.62Å; Y240-F255 HydrophobicContact CD2-CZ 3.62Å; Y240-F255 AromaticContact CE2-CD1 3.94Å; Y240-F255 HydrophobicContact CE2-CD1 3.94Å; Y240-F255 HydrophobicContact CE2-CD2 4.29Å; Y240-F255 AromaticContact CE2-CE1 3.39Å; Y240-F255 HydrophobicContact CE2-CE1 3.39Å; Y240-F255 AromaticContact CE2-CE2 3.77Å; Y240-F255 HydrophobicContact CE2-CE2 3.77Å; Y240-F255 HydrophobicContact CE2-CG 4.37Å; Y240-F255 AromaticContact CE2-CZ 3.29Å; Y240-F255 HydrophobicContact CE2-CZ 3.29Å; Y240-F255 HydrophobicContact CG-CD1 4.43Å; Y240-F255 HydrophobicContact CG-CD2 4.12Å; Y240-F255 HydrophobicContact CG-CE2 4.29Å; Y240-F255 HydrophobicContact CG-CG 4.2Å |
| 241 | S | 97.6 | Very high | 96.7 | Very high | 61 Ų | 61 | 53.3 Ų | 53.3 | 43% | 0.427 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -11.9 | 176.6 | 72.2 | 0 | 0 | 0 | 0 | 114.3 | N239 L243 | N239-S241 VanDerWaalsContact C-N 3.28Å; N239-S241 PolarHBondContact O-N 3.21Å; N239-S241 VanDerWaalsContact OD1-CB 3.24Å; N239-S241 WeakPolarHBondContact OD1-CB 3.47Å; N239-S241 PolarHBondContact OD1-N 2.99Å; N239-S241 PolarHBondContact OD1-OG 2.82Å; S241-L243 VanDerWaalsContact C-N 3.31Å |
| 242 | M | 96.5 | Very high | 96.6 | Very high | 98 Ų | 98 | 53.2 Ų | 53.2 | 48% | 0.483 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -10.3 | 174.4 | -65.5 | -179.9 | 68 | 0 | 0 | 113.4 | A74 F76 P236 Y240 | A74-M242 HydrophobicContact CB-CB 4.46Å; A74-M242 HydrophobicContact CB-CE 4.27Å; A74-M242 HydrophobicContact CB-SD 3.83Å; F76-M242 HydrophobicContact CZ-CB 4.33Å; P236-M242 HydrophobicContact CB-CG 4.28Å; P236-M242 HydrophobicContact CB-SD 4.5Å; Y240-M242 PolarHBondContact O-N 2.91Å |
| 243 | L | 94.5 | Very high | 96.6 | Very high | 34 Ų | 34 | 53.4 Ų | 53.4 | 18% | 0.178 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -78.6 | 146.9 | 170.9 | -73.1 | -179.3 | 0 | 0 | 0 | 110.6 | F76 Y240 S241 M247 I248 | F76-L243 HydrophobicContact CD1-CD2 4.46Å; F76-L243 HydrophobicContact CD1-CG 4.39Å; F76-L243 HydrophobicContact CE1-CD1 4.46Å; F76-L243 HydrophobicContact CE1-CD2 3.86Å; F76-L243 HydrophobicContact CE1-CG 3.72Å; F76-L243 HydrophobicContact CE2-CD2 3.96Å; F76-L243 HydrophobicContact CZ-CD2 3.58Å; F76-L243 HydrophobicContact CZ-CG 3.91Å; Y240-L243 HydrophobicContact CD1-CD1 3.68Å; Y240-L243 HydrophobicContact CD1-CG 4.36Å; Y240-L243 HydrophobicContact CE1-CD1 4.46Å; Y240-L243 PolarHBondContact O-N 3.22Å; S241-L243 VanDerWaalsContact C-N 3.31Å; L243-M247 HydrophobicContact CD2-SD 4.15Å; L243-I248 HydrophobicContact CB-CG2 3.5Å; L243-I248 VanDerWaalsContact CB-CG2 3.5Å; L243-I248 HydrophobicContact CD1-CG2 4.03Å; L243-I248 HydrophobicContact CG-CG2 4.42Å |
| 244 | P | 94 | Very high | 96.6 | Very high | 55 Ų | 55 | 52.8 Ų | 52.8 | 36% | 0.357 | 29% | 0.29 | S | S | . | . | trans | -68 | 146.7 | 178.7 | 28.9 | -34.8 | 0 | 0 | 0 | 111.6 | T246 M247 I248 | P244-T246 PolarHBondContact O-N 2.95Å; P244-T246 VanDerWaalsContact O-N 3.1Å; P244-M247 HydrophobicContact CG-CB 4.4Å; P244-M247 HydrophobicContact CG-CE 3.61Å; P244-M247 HydrophobicContact CG-CG 3.9Å; P244-M247 HydrophobicContact CG-SD 3.87Å; P244-M247 PolarHBondContact O-N 3.42Å; P244-I248 PolarHBondContact O-N 3.37Å; P244-I248 VanDerWaalsContact O-N 3.17Å | ||
| 245 | E | 93.4 | Very high | 96.6 | Very high | 97 Ų | 97 | 49.5 Ų | 49.5 | 45% | 0.453 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -23.5 | 178.6 | -171.9 | 172.9 | 172.5 | 0 | 0 | 112.7 | M247 I248 K251 | E245-M247 PolarHBondContact O-N 2.66Å; E245-I248 WeakPolarHBondContact CA-O 3.36Å; E245-K251 IonicContact OE1-NZ 3.61Å; E245-K251 PolarHBondContact OE1-NZ 3.11Å; E245-K251 IonicContact OE2-NZ 2.88Å; E245-K251 PolarHBondContact OE2-NZ 3.45Å |
| 246 | T | 91.4 | Very high | 96.6 | Very high | 117 Ų | 117 | 49.7 Ų | 49.7 | 72% | 0.718 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -17.8 | 174 | 54.5 | 0 | 0 | 0 | 0 | 113.5 | K147 P244 | K147-T246 WeakPolarHBondContact CB-O 3.19Å; K147-T246 WeakPolarHBondContact CG-O 3.46Å; P244-T246 PolarHBondContact O-N 2.95Å; P244-T246 VanDerWaalsContact O-N 3.1Å |
| 247 | M | 92.4 | Very high | 96.6 | Very high | 28 Ų | 28 | 48.6 Ų | 48.6 | 14% | 0.138 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -45.9 | 171.4 | -67.6 | 179.1 | -160.6 | 0 | 0 | 112.3 | L89 I90 K147 L243 P244 E245 | L89-M247 HydrophobicContact CB-CE 4.43Å; L89-M247 HydrophobicContact CD1-CE 4.25Å; L89-M247 HydrophobicContact CD2-CE 2.97Å; L89-M247 HydrophobicContact CG-CE 3.33Å; I90-M247 HydrophobicContact CD1-CE 4.35Å; I90-M247 HydrophobicContact CD1-SD 4.03Å; K147-M247 PolarHBondContact N-O 3.31Å; L243-M247 HydrophobicContact CD2-SD 4.15Å; P244-M247 HydrophobicContact CG-CB 4.4Å; P244-M247 HydrophobicContact CG-CE 3.61Å; P244-M247 HydrophobicContact CG-CG 3.9Å; P244-M247 HydrophobicContact CG-SD 3.87Å; P244-M247 PolarHBondContact O-N 3.42Å; E245-M247 PolarHBondContact O-N 2.66Å |
| 248 | I | 95.2 | Very high | 96.6 | Very high | 5 Ų | 5 | 51.8 Ų | 51.8 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -135 | 115.5 | -172.4 | -169.8 | 170 | 0 | 0 | 0 | 111.1 | I145 I146 L243 P244 E245 L250 F255 | I145-I248 HydrophobicContact CB-CG1 4.26Å; I145-I248 HydrophobicContact CD1-CD1 3.74Å; I145-I248 HydrophobicContact CD1-CG1 3.86Å; I145-I248 HydrophobicContact CG1-CD1 4.32Å; I145-I248 HydrophobicContact CG1-CG1 4Å; I145-I248 CarbonylContact O-C 3.59Å; I145-I248 WeakPolarHBondContact O-CA 3.23Å; I146-I248 HydrophobicContact CD1-CB 4.34Å; I146-I248 HydrophobicContact CD1-CD1 4.21Å; I146-I248 HydrophobicContact CD1-CG1 4.15Å; L243-I248 HydrophobicContact CB-CG2 3.5Å; L243-I248 VanDerWaalsContact CB-CG2 3.5Å; L243-I248 HydrophobicContact CD1-CG2 4.03Å; L243-I248 HydrophobicContact CG-CG2 4.42Å; P244-I248 PolarHBondContact O-N 3.37Å; P244-I248 VanDerWaalsContact O-N 3.17Å; E245-I248 WeakPolarHBondContact CA-O 3.36Å; I248-L250 HydrophobicContact CD1-CD2 3.69Å; I248-L250 HydrophobicContact CG1-CD2 3.74Å; I248-L250 HydrophobicContact CG1-CG 4.26Å; I248-L250 HydrophobicContact CG2-CG 4.47Å; I248-L250 PolarHBondContact O-N 3.06Å; I248-F255 HydrophobicContact CD1-CD2 4.28Å |
| 249 | D | 97.1 | Very high | 96.5 | Very high | 16 Ų | 16 | 52.6 Ų | 52.6 | 9% | 0.086 | 28% | 0.28 | C | S | . | . | trans | -91 | 88.3 | 178.4 | -165.3 | -23.9 | 0 | 0 | 0 | 111.3 | I145 K147 K251 V252 | I145-D249 WeakPolarHBondContact CG2-O 3.41Å; I145-D249 PolarHBondContact O-N 3.24Å; K147-D249 HydrophobicContact CD-CB 4.28Å; K147-D249 IonicContact NZ-OD2 2.68Å; K147-D249 PolarHBondContact NZ-OD2 3.42Å; D249-K251 PolarHBondContact O-N 2.64Å; D249-K251 VanDerWaalsContact OD1-CB 3.31Å; D249-K251 WeakPolarHBondContact OD1-CB 3.44Å; D249-K251 PolarHBondContact OD1-N 3.07Å; D249-V252 HydrophobicContact CB-CB 4.49Å; D249-V252 HydrophobicContact CB-CG2 4.1Å; D249-V252 PolarHBondContact O-N 3.34Å; D249-V252 PolarHBondContact OD1-N 2.79Å | ||
| 250 | L | 97.3 | Very high | 96.6 | Very high | 48 Ų | 48 | 54.7 Ų | 54.7 | 25% | 0.251 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -8.1 | 179.3 | -60.7 | -179.7 | 0 | 0 | 0 | 113.6 | I145 I248 S253 F255 | I145-L250 HydrophobicContact CD1-CD2 4.47Å; I248-L250 HydrophobicContact CD1-CD2 3.69Å; I248-L250 HydrophobicContact CG1-CD2 3.74Å; I248-L250 HydrophobicContact CG1-CG 4.26Å; I248-L250 HydrophobicContact CG2-CG 4.47Å; I248-L250 PolarHBondContact O-N 3.06Å; L250-S253 WeakPolarHBondContact CA-O 3.46Å; L250-S253 CarbonylContact O-C 3.46Å; L250-F255 HydrophobicContact CD2-CB 3.97Å |
| 251 | K | 96.7 | Very high | 96.6 | Very high | 162 Ų | 162 | 54.6 Ų | 54.6 | 70% | 0.704 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -29.7 | 174 | -58.2 | 170.7 | -171.5 | 152.2 | 0 | 111.4 | E245 D249 | E245-K251 IonicContact OE1-NZ 3.61Å; E245-K251 PolarHBondContact OE1-NZ 3.11Å; E245-K251 IonicContact OE2-NZ 2.88Å; E245-K251 PolarHBondContact OE2-NZ 3.45Å; D249-K251 PolarHBondContact O-N 2.64Å; D249-K251 VanDerWaalsContact OD1-CB 3.31Å; D249-K251 WeakPolarHBondContact OD1-CB 3.44Å; D249-K251 PolarHBondContact OD1-N 3.07Å |
| 252 | V | 97.3 | Very high | 96.6 | Very high | 78 Ų | 78 | 51.8 Ų | 51.8 | 47% | 0.473 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -47 | 173.4 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | L144 I145 D249 | L144-V252 HydrophobicContact CB-CG1 3.92Å; I145-V252 HydrophobicContact CG2-CB 4.2Å; I145-V252 HydrophobicContact CG2-CG1 4.26Å; D249-V252 HydrophobicContact CB-CB 4.49Å; D249-V252 HydrophobicContact CB-CG2 4.1Å; D249-V252 PolarHBondContact O-N 3.34Å; D249-V252 PolarHBondContact OD1-N 2.79Å |
| 253 | S | 97.8 | Very high | 96.7 | Very high | 8 Ų | 8 | 47.2 Ų | 47.2 | 6% | 0.056 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -157.6 | 137.7 | 169.5 | 171.7 | 0 | 0 | 0 | 0 | 109.1 | I145 L250 | I145-S253 VanDerWaalsContact CG2-O 3.28Å; I145-S253 WeakPolarHBondContact CG2-O 3.5Å; L250-S253 WeakPolarHBondContact CA-O 3.46Å; L250-S253 CarbonylContact O-C 3.46Å |
| 254 | P | 98.1 | Very high | 96.9 | Very high | 61 Ų | 61 | 46.5 Ų | 46.5 | 40% | 0.396 | 25% | 0.245 | S | C | . | . | trans | -66.8 | 149.6 | 172.8 | 27.6 | -33.3 | 0 | 0 | 0 | 110.7 | ||||
| 255 | F | 98.4 | Very high | 97.1 | Very high | 33 Ų | 33 | 49.7 Ų | 49.7 | 15% | 0.145 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -62.8 | -46.7 | 174.7 | -177.2 | -86.2 | 0 | 0 | 0 | 110.9 | T52 F142 N239 Y240 I248 L250 R257 | T52-F255 HydrophobicContact CG2-CE1 4.28Å; T52-F255 WeakPolarHBondContact OG1-CE1 3.33Å; T52-F255 WeakPolarHBondContact OG1-CZ 3.35Å; F142-F255 HydrophobicContact CE2-CE2 4.22Å; N239-F255 WeakPolarHBondContact O-CB 3.49Å; Y240-F255 AromaticContact CD2-CD1 3.48Å; Y240-F255 HydrophobicContact CD2-CD1 3.48Å; Y240-F255 VanDerWaalsContact CD2-CD1 3.48Å; Y240-F255 AromaticContact CD2-CD2 3.81Å; Y240-F255 HydrophobicContact CD2-CD2 3.81Å; Y240-F255 AromaticContact CD2-CE1 3.47Å; Y240-F255 HydrophobicContact CD2-CE1 3.47Å; Y240-F255 VanDerWaalsContact CD2-CE1 3.47Å; Y240-F255 AromaticContact CD2-CE2 3.78Å; Y240-F255 HydrophobicContact CD2-CE2 3.78Å; Y240-F255 AromaticContact CD2-CG 3.67Å; Y240-F255 HydrophobicContact CD2-CG 3.67Å; Y240-F255 AromaticContact CD2-CZ 3.62Å; Y240-F255 HydrophobicContact CD2-CZ 3.62Å; Y240-F255 AromaticContact CE2-CD1 3.94Å; Y240-F255 HydrophobicContact CE2-CD1 3.94Å; Y240-F255 HydrophobicContact CE2-CD2 4.29Å; Y240-F255 AromaticContact CE2-CE1 3.39Å; Y240-F255 HydrophobicContact CE2-CE1 3.39Å; Y240-F255 AromaticContact CE2-CE2 3.77Å; Y240-F255 HydrophobicContact CE2-CE2 3.77Å; Y240-F255 HydrophobicContact CE2-CG 4.37Å; Y240-F255 AromaticContact CE2-CZ 3.29Å; Y240-F255 HydrophobicContact CE2-CZ 3.29Å; Y240-F255 HydrophobicContact CG-CD1 4.43Å; Y240-F255 HydrophobicContact CG-CD2 4.12Å; Y240-F255 HydrophobicContact CG-CE2 4.29Å; Y240-F255 HydrophobicContact CG-CG 4.2Å; I248-F255 HydrophobicContact CD1-CD2 4.28Å; L250-F255 HydrophobicContact CD2-CB 3.97Å; F255-R257 VanDerWaalsContact C-N 3.27Å; F255-R257 PolarHBondContact O-N 3.07Å |
| 256 | M | 98.6 | Very high | 97.3 | Very high | 20 Ų | 20 | 50.4 Ų | 50.4 | 10% | 0.099 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -80 | 74.2 | 170.8 | -65 | -66.1 | -173.6 | 0 | 0 | 109.8 | T52 F229 M232 K233 T238 N239 | T52-M256 HydrophobicContact CG2-CE 3.72Å; F229-M256 HydrophobicContact CE2-CB 4Å; F229-M256 HydrophobicContact CE2-SD 4.39Å; F229-M256 HydrophobicContact CZ-CB 4.23Å; F229-M256 WeakPolarHBondContact CZ-O 3.46Å; M232-M256 HydrophobicContact CB-CE 3.9Å; M232-M256 HydrophobicContact CE-CE 3.96Å; K233-M256 HydrophobicContact CB-CB 3.82Å; K233-M256 HydrophobicContact CB-CG 4.33Å; K233-M256 HydrophobicContact CD-CB 4.4Å; K233-M256 HydrophobicContact CG-CB 3.85Å; T238-M256 WeakPolarHBondContact O-CE 3.43Å; N239-M256 HydrophobicContact CB-CG 4.06Å |
| 257 | R | 98.6 | Very high | 97.6 | Very high | 40 Ų | 40 | 46.5 Ų | 46.5 | 15% | 0.151 | 23% | 0.23 | C | C | . | . | trans | -72.1 | -70.5 | -168.8 | -164.4 | -177 | 61.3 | 88.7 | 9.7 | 114.1 | F255 D263 | F255-R257 VanDerWaalsContact C-N 3.27Å; F255-R257 PolarHBondContact O-N 3.07Å; R257-D263 IonicContact CZ-OD2 3.64Å; R257-D263 IonicContact NH1-OD2 2.64Å; R257-D263 PolarHBondContact NH1-OD2 3.2Å; R257-D263 IonicContact NH2-OD2 2.93Å; R257-D263 PolarHBondContact NH2-OD2 3.11Å | ||
| 258 | K | 98.5 | Very high | 97.9 | Very high | 83 Ų | 83 | 46 Ų | 46 | 36% | 0.361 | 23% | 0.227 | S | C | . | . | trans | -129.9 | -36.7 | -178.8 | -64.2 | -165.7 | -171.1 | 174.9 | 0 | 115 | F229 I260 D263 | F229-K258 VanDerWaalsContact CZ-C 3.45Å; K258-I260 HydrophobicContact CB-CD1 4.41Å; K258-I260 HydrophobicContact CB-CG1 4.09Å; K258-I260 HydrophobicContact CD-CD1 4.28Å; K258-I260 PolarHBondContact O-N 3.11Å; K258-D263 WeakPolarHBondContact CD-OD2 3.28Å; K258-D263 IonicContact NZ-OD1 3.14Å; K258-D263 PolarHBondContact NZ-OD1 3.29Å; K258-D263 IonicContact NZ-OD2 2.84Å; K258-D263 PolarHBondContact NZ-OD2 3.32Å | ||
| 259 | G | 97.9 | Very high | 98 | Very high | 16 Ų | 16 | 49 Ų | 49 | 17% | 0.165 | 25% | 0.247 | C | C | . | . | trans | 64.7 | 34.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y193 K197 | Y193-G259 WeakPolarHBondContact OH-CA 3.37Å; Y193-G259 PolarHBondContact OH-O 2.68Å; K197-G259 WeakPolarHBondContact CE-O 3.28Å; K197-G259 PolarHBondContact NZ-O 2.65Å | ||
| 260 | I | 98.6 | Very high | 98 | Very high | 69 Ų | 69 | 54.2 Ų | 54.2 | 35% | 0.354 | 27% | 0.271 | S | S | . | . | trans | -123.6 | 161.2 | -177.7 | 64.8 | 175.4 | 0 | 0 | 0 | 111.9 | R130 K258 D263 | R130-I260 PolarHBondContact NH2-O 3.45Å; K258-I260 HydrophobicContact CB-CD1 4.41Å; K258-I260 HydrophobicContact CB-CG1 4.09Å; K258-I260 HydrophobicContact CD-CD1 4.28Å; K258-I260 PolarHBondContact O-N 3.11Å; I260-D263 HydrophobicContact CD1-CB 4.05Å; I260-D263 HydrophobicContact CG1-CB 4.06Å | ||
| 261 | V | 98.8 | Very high | 98 | Very high | 17 Ų | 17 | 55.4 Ų | 55.4 | 10% | 0.103 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -92.4 | 137.7 | 165.3 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | D134 Y193 E194 K197 L295 | D134-V261 WeakPolarHBondContact OD2-CA 3.36Å; Y193-V261 HydrophobicContact CD1-CG2 4.07Å; Y193-V261 HydrophobicContact CE1-CG2 3.98Å; E194-V261 HydrophobicContact CB-CG2 4.44Å; E194-V261 HydrophobicContact CG-CG1 3.96Å; E194-V261 HydrophobicContact CG-CG2 3.93Å; K197-V261 HydrophobicContact CB-CG2 4Å; K197-V261 HydrophobicContact CG-CG2 3.95Å; V261-L295 HydrophobicContact CB-CD1 4.02Å; V261-L295 HydrophobicContact CB-CG 3.97Å; V261-L295 HydrophobicContact CG1-CG 4.16Å; V261-L295 HydrophobicContact CG2-CD1 3.56Å; V261-L295 HydrophobicContact CG2-CG 3.91Å |
| 262 | G | 98.4 | Very high | 98 | Very high | 3 Ų | 3 | 48.4 Ų | 48.4 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | trans | 94.6 | 15.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | D134 W264 R265 | D134-G262 PolarHBondContact OD1-N 3.27Å; D134-G262 PolarHBondContact OD2-N 2.88Å; G262-W264 PolarHBondContact O-N 3.38Å; G262-R265 PolarHBondContact O-N 3.24Å; G262-R265 PolarHBondContact O-NE 3.08Å | ||
| 263 | D | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -69.5 | -18.7 | 176.5 | -165 | 39.4 | 0 | 0 | 0 | 112.1 | D134 R257 K258 I260 R265 N266 H267 | D134-D263 PolarHBondContact OD1-N 3.19Å; R257-D263 IonicContact CZ-OD2 3.64Å; R257-D263 IonicContact NH1-OD2 2.64Å; R257-D263 PolarHBondContact NH1-OD2 3.2Å; R257-D263 IonicContact NH2-OD2 2.93Å; R257-D263 PolarHBondContact NH2-OD2 3.11Å; K258-D263 WeakPolarHBondContact CD-OD2 3.28Å; K258-D263 IonicContact NZ-OD1 3.14Å; K258-D263 PolarHBondContact NZ-OD1 3.29Å; K258-D263 IonicContact NZ-OD2 2.84Å; K258-D263 PolarHBondContact NZ-OD2 3.32Å; I260-D263 HydrophobicContact CD1-CB 4.05Å; I260-D263 HydrophobicContact CG1-CB 4.06Å; D263-R265 PolarHBondContact O-N 3.34Å; D263-R265 VanDerWaalsContact O-N 3.16Å; D263-N266 WeakPolarHBondContact O-CB 3.43Å; D263-N266 PolarHBondContact O-N 3.25Å; D263-N266 PolarHBondContact OD1-ND2 3.09Å; D263-H267 PolarHBondContact O-ND1 2.81Å; D263-H267 IonicContact OD1-CE1 2.87Å; D263-H267 IonicContact OD2-CE1 2.69Å; D263-H267 PolarHBondContact OD2-CE1 3.31Å; D263-H267 IonicContact OD2-ND1 3.72Å |
| 264 | W | 98.4 | Very high | 98.1 | Very high | 20 Ų | 20 | 53.2 Ų | 53.2 | 8% | 0.076 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -51.3 | -32.5 | 170.9 | 69.5 | -95.5 | 0 | 0 | 0 | 114 | K133 D134 V137 G262 N266 H267 F268 R273 A293 | K133-W264 HydrophobicContact CB-CB 3.57Å; K133-W264 HydrophobicContact CB-CD2 4.17Å; K133-W264 HydrophobicContact CB-CG 3.62Å; K133-W264 HydrophobicContact CD-CD2 3.87Å; K133-W264 HydrophobicContact CD-CE3 3.95Å; K133-W264 HydrophobicContact CD-CG 4.24Å; K133-W264 HydrophobicContact CD-CZ3 4.39Å; D134-W264 PolarHBondContact OD1-N 3.16Å; V137-W264 HydrophobicContact CG2-CB 4.3Å; G262-W264 PolarHBondContact O-N 3.38Å; W264-N266 PolarHBondContact O-N 3.26Å; W264-H267 PolarHBondContact O-N 3.17Å; W264-F268 HydrophobicContact CB-CD2 3.78Å; W264-F268 HydrophobicContact CB-CE2 3.84Å; W264-F268 HydrophobicContact CE3-CB 4.49Å; W264-F268 HydrophobicContact CE3-CD2 4.44Å; W264-F268 WeakPolarHBondContact O-CD2 3.28Å; W264-F268 PolarHBondContact O-N 3.29Å; W264-R273 HydrophobicContact CZ3-CG 4.07Å; W264-A293 HydrophobicContact CZ2-CB 4.33Å; W264-A293 PolarHBondContact NE1-O 3.2Å |
| 265 | R | 97.4 | Very high | 98.1 | Very high | 122 Ų | 122 | 56.3 Ų | 56.3 | 46% | 0.46 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -61.3 | -26.3 | 177 | -68 | -176.7 | -67.7 | -108.4 | -0.8 | 113.4 | G262 D263 H267 E294 | G262-R265 PolarHBondContact O-N 3.24Å; G262-R265 PolarHBondContact O-NE 3.08Å; D263-R265 PolarHBondContact O-N 3.34Å; D263-R265 VanDerWaalsContact O-N 3.16Å; R265-H267 VanDerWaalsContact C-N 3.3Å; R265-E294 IonicContact CZ-OE1 3.27Å; R265-E294 IonicContact NH1-OE1 2.75Å; R265-E294 PolarHBondContact NH1-OE1 3.1Å; R265-E294 IonicContact NH1-OE2 3.42Å |
| 266 | N | 98.2 | Very high | 98.1 | Very high | 111 Ų | 111 | 54.8 Ų | 54.8 | 59% | 0.594 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -84.8 | -3.8 | 178.6 | -58.8 | -46.1 | 0 | 0 | 0 | 113.2 | D263 W264 | D263-N266 WeakPolarHBondContact O-CB 3.43Å; D263-N266 PolarHBondContact O-N 3.25Å; D263-N266 PolarHBondContact OD1-ND2 3.09Å; W264-N266 PolarHBondContact O-N 3.26Å |
| 267 | H | 98.2 | Very high | 98 | Very high | 35 Ų | 35 | 56.8 Ų | 56.8 | 16% | 0.162 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.4 | -33.7 | -169.9 | -61.4 | 78.1 | 0 | 0 | 0 | 113.5 | V137 Y141 F155 D263 W264 R265 P269 | V137-H267 HydrophobicContact CG2-CB 3.79Å; Y141-H267 AromaticContact CE2-NE2 3.45Å; Y141-H267 WeakPolarHBondContact CE2-NE2 3.46Å; Y141-H267 AromaticContact CZ-NE2 3.86Å; Y141-H267 PolarHBondContact OH-NE2 2.93Å; F155-H267 HydrophobicContact CD1-CB 4.11Å; F155-H267 WeakPolarHBondContact CD1-O 3.49Å; F155-H267 HydrophobicContact CE1-CB 3.69Å; F155-H267 WeakPolarHBondContact CE1-O 3.37Å; F155-H267 HydrophobicContact CZ-CB 3.92Å; D263-H267 PolarHBondContact O-ND1 2.81Å; D263-H267 IonicContact OD1-CE1 2.87Å; D263-H267 IonicContact OD2-CE1 2.69Å; D263-H267 PolarHBondContact OD2-CE1 3.31Å; D263-H267 IonicContact OD2-ND1 3.72Å; W264-H267 PolarHBondContact O-N 3.17Å; R265-H267 VanDerWaalsContact C-N 3.3Å; H267-P269 WeakPolarHBondContact O-CD 3.4Å |
| 268 | F | 98.1 | Very high | 98 | Very high | 18 Ų | 18 | 61 Ų | 61 | 8% | 0.079 | 30% | 0.298 | C | S | . | . | trans | -83.7 | 115.2 | -177.2 | -81.9 | -103.7 | 0 | 0 | 0 | 111.3 | K133 V136 V137 F155 V159 W264 L272 R273 F276 | K133-F268 HydrophobicContact CB-CE2 4.08Å; K133-F268 HydrophobicContact CB-CZ 4.21Å; K133-F268 HydrophobicContact CG-CZ 4.26Å; V136-F268 HydrophobicContact CG1-CE2 3.97Å; V136-F268 HydrophobicContact CG1-CZ 3.61Å; V137-F268 HydrophobicContact CG2-CD2 4.45Å; V137-F268 HydrophobicContact CG2-CE2 4.08Å; F155-F268 AromaticContact CE1-CD2 3.83Å; F155-F268 HydrophobicContact CE1-CD2 3.83Å; F155-F268 AromaticContact CE1-CE2 3.96Å; F155-F268 HydrophobicContact CE1-CE2 3.96Å; F155-F268 HydrophobicContact CE1-CG 4.19Å; F155-F268 HydrophobicContact CE1-CZ 4.4Å; F155-F268 AromaticContact CZ-CD2 3.93Å; F155-F268 HydrophobicContact CZ-CD2 3.93Å; F155-F268 AromaticContact CZ-CE2 3.63Å; F155-F268 HydrophobicContact CZ-CE2 3.63Å; F155-F268 HydrophobicContact CZ-CZ 4.12Å; V159-F268 HydrophobicContact CG1-CE1 4.12Å; V159-F268 HydrophobicContact CG2-CE1 4.3Å; V159-F268 HydrophobicContact CG2-CZ 4.18Å; W264-F268 HydrophobicContact CB-CD2 3.78Å; W264-F268 HydrophobicContact CB-CE2 3.84Å; W264-F268 HydrophobicContact CE3-CB 4.49Å; W264-F268 HydrophobicContact CE3-CD2 4.44Å; W264-F268 WeakPolarHBondContact O-CD2 3.28Å; W264-F268 PolarHBondContact O-N 3.29Å; F268-L272 HydrophobicContact CD1-CD2 4.19Å; F268-L272 HydrophobicContact CD1-CG 4.05Å; F268-L272 HydrophobicContact CE1-CG 4.38Å; F268-R273 HydrophobicContact CB-CB 4.18Å; F268-R273 HydrophobicContact CD1-CB 4.41Å; F268-F276 HydrophobicContact CE1-CB 4.01Å; F268-F276 AromaticContact CE1-CD2 3.98Å; F268-F276 HydrophobicContact CE1-CD2 3.98Å; F268-F276 AromaticContact CE1-CG 3.96Å; F268-F276 HydrophobicContact CE1-CG 3.96Å; F268-F276 HydrophobicContact CZ-CD2 4.27Å; F268-F276 HydrophobicContact CZ-CG 4.48Å | ||
| 269 | P | 96.8 | Very high | 98 | Very high | 68 Ų | 68 | 57.7 Ų | 57.7 | 44% | 0.442 | 28% | 0.284 | S | S | . | . | trans | -60.9 | 152.4 | 161.8 | -18.4 | 33 | 0 | 0 | 0 | 110.2 | H267 A271 L272 R273 | H267-P269 WeakPolarHBondContact O-CD 3.4Å; P269-A271 PolarHBondContact O-N 3.2Å; P269-L272 PolarHBondContact O-N 3.47Å; P269-L272 VanDerWaalsContact O-N 3.07Å; P269-R273 PolarHBondContact O-N 2.77Å | ||
| 270 | E | 96.8 | Very high | 98.1 | Very high | 125 Ų | 125 | 58.4 Ų | 58.4 | 58% | 0.584 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -52.5 | -50.4 | -176.5 | 176.5 | 154.4 | -124.9 | 0 | 0 | 113.2 | L272 R273 E274 | E270-L272 VanDerWaalsContact C-N 3.31Å; E270-L272 PolarHBondContact O-N 3.4Å; E270-R273 WeakPolarHBondContact O-CB 3.49Å; E270-R273 PolarHBondContact O-N 2.84Å; E270-R273 VanDerWaalsContact O-N 3.13Å; E270-R273 IonicContact OE1-NH2 2.8Å; E270-R273 PolarHBondContact OE1-NH2 2.83Å; E270-E274 PolarHBondContact O-N 2.84Å |
| 271 | A | 97.4 | Very high | 98 | Very high | 73 Ų | 73 | 59.8 Ų | 59.8 | 60% | 0.603 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -60.9 | -38 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | P269 R275 | P269-A271 PolarHBondContact O-N 3.2Å; A271-R275 WeakPolarHBondContact O-CB 3.34Å; A271-R275 PolarHBondContact O-N 3.39Å; A271-R275 VanDerWaalsContact O-N 3.17Å |
| 272 | L | 97.8 | Very high | 97.9 | Very high | 15 Ų | 15 | 66.6 Ų | 66.6 | 8% | 0.079 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70.9 | -37.4 | 177.1 | -174.8 | 63.7 | 0 | 0 | 0 | 111.2 | F155 V159 F268 P269 E270 F276 | F155-L272 HydrophobicContact CD1-CD2 4.32Å; F155-L272 HydrophobicContact CE1-CD2 4.27Å; V159-L272 HydrophobicContact CB-CD1 4.29Å; V159-L272 HydrophobicContact CB-CD2 4.13Å; V159-L272 HydrophobicContact CG1-CD1 3.92Å; V159-L272 HydrophobicContact CG1-CD2 4.27Å; V159-L272 HydrophobicContact CG1-CG 4.19Å; V159-L272 HydrophobicContact CG2-CD2 4.08Å; F268-L272 HydrophobicContact CD1-CD2 4.19Å; F268-L272 HydrophobicContact CD1-CG 4.05Å; F268-L272 HydrophobicContact CE1-CG 4.38Å; P269-L272 PolarHBondContact O-N 3.47Å; P269-L272 VanDerWaalsContact O-N 3.07Å; E270-L272 VanDerWaalsContact C-N 3.31Å; E270-L272 PolarHBondContact O-N 3.4Å; L272-F276 VanDerWaalsContact O-CB 3.28Å; L272-F276 WeakPolarHBondContact O-CB 3.46Å; L272-F276 PolarHBondContact O-N 3.3Å |
| 273 | R | 97.7 | Very high | 97.9 | Very high | 88 Ų | 88 | 69.8 Ų | 69.8 | 33% | 0.332 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.8 | -47.6 | 176 | 179.7 | -166.8 | 67.6 | -171.5 | -6.1 | 111 | W264 F268 P269 E270 F276 E277 | W264-R273 HydrophobicContact CZ3-CG 4.07Å; F268-R273 HydrophobicContact CB-CB 4.18Å; F268-R273 HydrophobicContact CD1-CB 4.41Å; P269-R273 PolarHBondContact O-N 2.77Å; E270-R273 WeakPolarHBondContact O-CB 3.49Å; E270-R273 PolarHBondContact O-N 2.84Å; E270-R273 VanDerWaalsContact O-N 3.13Å; E270-R273 IonicContact OE1-NH2 2.8Å; E270-R273 PolarHBondContact OE1-NH2 2.83Å; R273-F276 PolarHBondContact O-N 3.33Å; R273-E277 WeakPolarHBondContact O-CB 3.44Å; R273-E277 PolarHBondContact O-N 2.87Å |
| 274 | E | 97.9 | Very high | 97.9 | Very high | 99 Ų | 99 | 70.1 Ų | 70.1 | 46% | 0.463 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.9 | -49.9 | 179.6 | -72.4 | 174.7 | 177.8 | 0 | 0 | 111.1 | E270 F276 E277 E278 | E270-E274 PolarHBondContact O-N 2.84Å; E274-F276 VanDerWaalsContact C-N 3.3Å; E274-F276 PolarHBondContact O-N 3.49Å; E274-E277 PolarHBondContact O-N 2.85Å; E274-E277 VanDerWaalsContact O-N 3.09Å; E274-E278 PolarHBondContact O-N 2.67Å |
| 275 | R | 98.2 | Very high | 97.7 | Very high | 127 Ų | 127 | 76 Ų | 76 | 48% | 0.479 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58.3 | -42.5 | 176.4 | -174.6 | 179.3 | 174.2 | -168.2 | -2.2 | 112.4 | E160 A271 E277 H279 | E160-R275 IonicContact OE1-CZ 2.76Å; E160-R275 IonicContact OE1-NE 3.61Å; E160-R275 IonicContact OE1-NH1 3.69Å; E160-R275 PolarHBondContact OE1-NH1 3.18Å; E160-R275 IonicContact OE1-NH2 3.72Å; E160-R275 IonicContact OE2-CZ 3.98Å; E160-R275 IonicContact OE2-NE 2.66Å; E160-R275 IonicContact OE2-NH1 3.3Å; E160-R275 PolarHBondContact OE2-NH1 2.95Å; E160-R275 VanDerWaalsContact OE2-NH1 3.07Å; E160-R275 IonicContact OE2-NH2 2.65Å; E160-R275 PolarHBondContact OE2-NH2 3.05Å; A271-R275 WeakPolarHBondContact O-CB 3.34Å; A271-R275 PolarHBondContact O-N 3.39Å; A271-R275 VanDerWaalsContact O-N 3.17Å; R275-E277 VanDerWaalsContact C-N 3.35Å; R275-H279 WeakPolarHBondContact O-CB 3.38Å; R275-H279 PolarHBondContact O-N 2.91Å |
| 276 | F | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 76.7 Ų | 76.7 | 0% | 0.004 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63 | -42 | 176.1 | -174 | -80.6 | 0 | 0 | 0 | 111.6 | A132 K133 V159 F162 M163 F268 L272 R273 E274 H279 Y280 | A132-F276 HydrophobicContact CB-CE1 4.2Å; A132-F276 HydrophobicContact CB-CZ 3.73Å; K133-F276 HydrophobicContact CD-CD1 4.36Å; K133-F276 HydrophobicContact CD-CE1 4.43Å; K133-F276 HydrophobicContact CG-CD1 3.8Å; K133-F276 HydrophobicContact CG-CE1 3.5Å; K133-F276 HydrophobicContact CG-CZ 4.15Å; V159-F276 HydrophobicContact CG1-CD2 3.8Å; V159-F276 HydrophobicContact CG1-CE2 4.41Å; F162-F276 HydrophobicContact CD1-CE2 4.01Å; F162-F276 HydrophobicContact CE1-CE2 4.05Å; F162-F276 HydrophobicContact CE1-CZ 4.16Å; M163-F276 HydrophobicContact CG-CD2 3.76Å; M163-F276 HydrophobicContact CG-CE2 4.02Å; M163-F276 HydrophobicContact SD-CB 4.21Å; M163-F276 HydrophobicContact SD-CD2 3.81Å; M163-F276 HydrophobicContact SD-CG 4.33Å; F268-F276 HydrophobicContact CE1-CB 4.01Å; F268-F276 AromaticContact CE1-CD2 3.98Å; F268-F276 HydrophobicContact CE1-CD2 3.98Å; F268-F276 AromaticContact CE1-CG 3.96Å; F268-F276 HydrophobicContact CE1-CG 3.96Å; F268-F276 HydrophobicContact CZ-CD2 4.27Å; F268-F276 HydrophobicContact CZ-CG 4.48Å; L272-F276 VanDerWaalsContact O-CB 3.28Å; L272-F276 WeakPolarHBondContact O-CB 3.46Å; L272-F276 PolarHBondContact O-N 3.3Å; R273-F276 PolarHBondContact O-N 3.33Å; E274-F276 VanDerWaalsContact C-N 3.3Å; E274-F276 PolarHBondContact O-N 3.49Å; F276-H279 PolarHBondContact O-N 3.45Å; F276-Y280 HydrophobicContact CE1-CD2 4.22Å; F276-Y280 VanDerWaalsContact O-CB 3.26Å; F276-Y280 WeakPolarHBondContact O-CB 3.29Å; F276-Y280 PolarHBondContact O-N 3.45Å |
| 277 | E | 98.1 | Very high | 97.3 | Very high | 62 Ų | 62 | 71.8 Ų | 71.8 | 29% | 0.29 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.7 | -46.4 | 179 | -168.6 | 60.7 | -136.7 | 0 | 0 | 111.3 | K133 R273 E274 R275 H279 Y280 Q281 | K133-E277 WeakPolarHBondContact CE-OE2 3.14Å; K133-E277 IonicContact NZ-OE2 3.07Å; K133-E277 PolarHBondContact NZ-OE2 3.08Å; R273-E277 WeakPolarHBondContact O-CB 3.44Å; R273-E277 PolarHBondContact O-N 2.87Å; E274-E277 PolarHBondContact O-N 2.85Å; E274-E277 VanDerWaalsContact O-N 3.09Å; R275-E277 VanDerWaalsContact C-N 3.35Å; E277-H279 VanDerWaalsContact C-N 3.28Å; E277-H279 PolarHBondContact O-N 3.18Å; E277-Y280 PolarHBondContact O-N 3.21Å; E277-Q281 HydrophobicContact CG-CG 4.5Å; E277-Q281 VanDerWaalsContact O-CG 3.31Å; E277-Q281 WeakPolarHBondContact O-CG 3.36Å; E277-Q281 PolarHBondContact O-N 3.13Å; E277-Q281 PolarHBondContact OE1-NE2 3.22Å |
| 278 | E | 98.3 | Very high | 97.1 | Very high | 128 Ų | 128 | 73.9 Ų | 73.9 | 60% | 0.598 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -59.1 | -40.5 | 174.6 | -69.9 | 179.4 | 175.1 | 0 | 0 | 112.3 | E274 R282 | E274-E278 PolarHBondContact O-N 2.67Å; E278-R282 WeakPolarHBondContact O-CG 3.07Å; E278-R282 PolarHBondContact O-N 3.08Å; E278-R282 PolarHBondContact O-NE 2.83Å |
| 279 | H | 98.5 | Very high | 97 | Very high | 13 Ų | 13 | 73.3 Ų | 73.3 | 6% | 0.06 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.4 | -47.2 | 174.5 | -175.3 | -81.4 | 0 | 0 | 0 | 111.7 | M163 Y173 R275 F276 E277 R282 H283 | M163-H279 PolarHBondContact O-CE1 3.27Å; M163-H279 PolarHBondContact O-NE2 3.29Å; M163-H279 HydrophobicContact SD-CB 3.77Å; Y173-H279 AromaticContact CE2-CE1 3.57Å; Y173-H279 AromaticContact CE2-ND1 3.86Å; Y173-H279 AromaticContact CZ-CE1 3.73Å; Y173-H279 AromaticContact CZ-ND1 3.5Å; Y173-H279 PolarHBondContact OH-ND1 3.03Å; R275-H279 WeakPolarHBondContact O-CB 3.38Å; R275-H279 PolarHBondContact O-N 2.91Å; F276-H279 PolarHBondContact O-N 3.45Å; E277-H279 VanDerWaalsContact C-N 3.28Å; E277-H279 PolarHBondContact O-N 3.18Å; H279-R282 PolarHBondContact O-N 3.1Å; H279-H283 AromaticContact CD2-CE1 3.73Å; H279-H283 AromaticContact CE1-CE1 3.11Å; H279-H283 PolarHBondContact CE1-CE1 2.97Å; H279-H283 AromaticContact CE1-CG 3.95Å; H279-H283 AromaticContact CE1-ND1 3.21Å; H279-H283 PolarHBondContact CE1-ND1 3.44Å; H279-H283 AromaticContact CE1-NE2 3.82Å; H279-H283 AromaticContact CG-ND1 3.93Å; H279-H283 AromaticContact ND1-CE1 3.77Å; H279-H283 AromaticContact ND1-ND1 3.45Å; H279-H283 PolarHBondContact ND1-ND1 3.26Å; H279-H283 AromaticContact NE2-CE1 3.06Å; H279-H283 PolarHBondContact NE2-CE1 3.38Å; H279-H283 AromaticContact NE2-ND1 3.57Å; H279-H283 AromaticContact NE2-NE2 3.87Å; H279-H283 PolarHBondContact O-N 2.93Å; H279-H283 PolarHBondContact O-ND1 3.33Å |
| 280 | Y | 98.5 | Very high | 96.9 | Very high | 32 Ų | 32 | 77.6 Ų | 77.6 | 13% | 0.125 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.4 | -48.3 | 179 | -179 | -85 | 0 | 0 | 0 | 111.3 | A132 W172 Y173 F276 E277 R282 H283 M284 F291 | A132-Y280 HydrophobicContact CB-CD2 4.34Å; A132-Y280 HydrophobicContact CB-CE2 4.24Å; W172-Y280 AromaticContact CH2-CE2 3.76Å; W172-Y280 HydrophobicContact CH2-CE2 3.76Å; W172-Y280 HydrophobicContact CZ3-CD2 4.26Å; W172-Y280 AromaticContact CZ3-CE2 3.58Å; W172-Y280 HydrophobicContact CZ3-CE2 3.58Å; Y173-Y280 HydrophobicContact CD1-CD2 4.45Å; Y173-Y280 AromaticContact CE1-CD2 3.79Å; Y173-Y280 HydrophobicContact CE1-CD2 3.79Å; Y173-Y280 HydrophobicContact CE1-CE2 4.49Å; Y173-Y280 HydrophobicContact CE1-CG 4.46Å; F276-Y280 HydrophobicContact CE1-CD2 4.22Å; F276-Y280 VanDerWaalsContact O-CB 3.26Å; F276-Y280 WeakPolarHBondContact O-CB 3.29Å; F276-Y280 PolarHBondContact O-N 3.45Å; E277-Y280 PolarHBondContact O-N 3.21Å; Y280-R282 VanDerWaalsContact C-N 3.32Å; Y280-R282 PolarHBondContact O-N 3.12Å; Y280-H283 PolarHBondContact O-N 3.34Å; Y280-H283 VanDerWaalsContact O-N 3.09Å; Y280-M284 HydrophobicContact CD1-CB 4.18Å; Y280-M284 HydrophobicContact CD1-CG 4.26Å; Y280-M284 HydrophobicContact CD2-CG 4.1Å; Y280-M284 HydrophobicContact CE1-CB 3.81Å; Y280-M284 HydrophobicContact CE1-CG 3.95Å; Y280-M284 HydrophobicContact CE2-CG 3.8Å; Y280-M284 HydrophobicContact CG-CG 4.31Å; Y280-M284 WeakPolarHBondContact O-CB 3.34Å; Y280-M284 PolarHBondContact O-N 3.07Å; Y280-F291 WeakPolarHBondContact OH-CD2 3.35Å |
| 281 | Q | 97.5 | Very high | 96.9 | Very high | 97 Ų | 97 | 73.3 Ų | 73.3 | 45% | 0.453 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.8 | -42.6 | 178.8 | -68.3 | -56.7 | -32 | 0 | 0 | 111.4 | E277 H283 M284 K285 | E277-Q281 HydrophobicContact CG-CG 4.5Å; E277-Q281 VanDerWaalsContact O-CG 3.31Å; E277-Q281 WeakPolarHBondContact O-CG 3.36Å; E277-Q281 PolarHBondContact O-N 3.13Å; E277-Q281 PolarHBondContact OE1-NE2 3.22Å; Q281-H283 VanDerWaalsContact C-N 3.29Å; Q281-H283 PolarHBondContact O-N 3.02Å; Q281-M284 PolarHBondContact O-N 3.44Å; Q281-K285 WeakPolarHBondContact O-CA 3.26Å; Q281-K285 VanDerWaalsContact O-CB 3.23Å; Q281-K285 WeakPolarHBondContact O-CB 3.39Å; Q281-K285 PolarHBondContact O-N 3.1Å |
| 282 | R | 97.4 | Very high | 96.9 | Very high | 160 Ų | 160 | 73.4 Ų | 73.4 | 60% | 0.604 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -58.9 | -38.4 | 175.4 | -75.6 | -178 | -73 | 149.6 | -7.7 | 113 | E278 H279 Y280 | E278-R282 WeakPolarHBondContact O-CG 3.07Å; E278-R282 PolarHBondContact O-N 3.08Å; E278-R282 PolarHBondContact O-NE 2.83Å; H279-R282 PolarHBondContact O-N 3.1Å; Y280-R282 VanDerWaalsContact C-N 3.32Å; Y280-R282 PolarHBondContact O-N 3.12Å |
| 283 | H | 97.8 | Very high | 96.6 | Very high | 71 Ų | 71 | 74 Ų | 74 | 33% | 0.329 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -86.7 | -25.9 | -175.9 | -73.2 | 80.7 | 0 | 0 | 0 | 114.5 | Y173 H279 Y280 Q281 | Y173-H283 HydrophobicContact CD1-CB 3.75Å; Y173-H283 HydrophobicContact CD2-CB 4.47Å; Y173-H283 HydrophobicContact CE1-CB 4.2Å; Y173-H283 HydrophobicContact CG-CB 3.9Å; H279-H283 AromaticContact CD2-CE1 3.73Å; H279-H283 AromaticContact CE1-CE1 3.11Å; H279-H283 PolarHBondContact CE1-CE1 2.97Å; H279-H283 AromaticContact CE1-CG 3.95Å; H279-H283 AromaticContact CE1-ND1 3.21Å; H279-H283 PolarHBondContact CE1-ND1 3.44Å; H279-H283 AromaticContact CE1-NE2 3.82Å; H279-H283 AromaticContact CG-ND1 3.93Å; H279-H283 AromaticContact ND1-CE1 3.77Å; H279-H283 AromaticContact ND1-ND1 3.45Å; H279-H283 PolarHBondContact ND1-ND1 3.26Å; H279-H283 AromaticContact NE2-CE1 3.06Å; H279-H283 PolarHBondContact NE2-CE1 3.38Å; H279-H283 AromaticContact NE2-ND1 3.57Å; H279-H283 AromaticContact NE2-NE2 3.87Å; H279-H283 PolarHBondContact O-N 2.93Å; H279-H283 PolarHBondContact O-ND1 3.33Å; Y280-H283 PolarHBondContact O-N 3.34Å; Y280-H283 VanDerWaalsContact O-N 3.09Å; Q281-H283 VanDerWaalsContact C-N 3.29Å; Q281-H283 PolarHBondContact O-N 3.02Å |
| 284 | M | 97.5 | Very high | 96.1 | Very high | 8 Ų | 8 | 74.7 Ų | 74.7 | 4% | 0.039 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -114.1 | -0.7 | -171.8 | -60.4 | -62.3 | -72.4 | 0 | 0 | 113.7 | W172 Y173 V176 K177 Y280 Q281 D286 C287 F291 | W172-M284 HydrophobicContact CH2-CE 4.21Å; W172-M284 HydrophobicContact CZ3-CE 4.07Å; W172-M284 HydrophobicContact CZ3-CG 4.41Å; W172-M284 HydrophobicContact CZ3-SD 4.09Å; Y173-M284 HydrophobicContact CD1-CG 3.84Å; Y173-M284 HydrophobicContact CD1-SD 3.93Å; Y173-M284 HydrophobicContact CE1-CG 4.47Å; V176-M284 HydrophobicContact CG1-CE 4.48Å; K177-M284 HydrophobicContact CD-SD 4.26Å; K177-M284 HydrophobicContact CG-SD 4.23Å; Y280-M284 HydrophobicContact CD1-CB 4.18Å; Y280-M284 HydrophobicContact CD1-CG 4.26Å; Y280-M284 HydrophobicContact CD2-CG 4.1Å; Y280-M284 HydrophobicContact CE1-CB 3.81Å; Y280-M284 HydrophobicContact CE1-CG 3.95Å; Y280-M284 HydrophobicContact CE2-CG 3.8Å; Y280-M284 HydrophobicContact CG-CG 4.31Å; Y280-M284 WeakPolarHBondContact O-CB 3.34Å; Y280-M284 PolarHBondContact O-N 3.07Å; Q281-M284 PolarHBondContact O-N 3.44Å; M284-D286 PolarHBondContact O-N 2.7Å; M284-D286 VanDerWaalsContact O-N 3.14Å; M284-C287 HydrophobicContact CB-CB 4.4Å; M284-C287 HydrophobicContact CE-CB 3.78Å; M284-C287 VanDerWaalsContact CE-SG 3.57Å; M284-C287 VanDerWaalsContact O-CB 3.31Å; M284-C287 WeakPolarHBondContact O-CB 3.42Å; M284-C287 PolarHBondContact O-N 2.88Å; M284-C287 HydrophobicContact SD-CB 4.26Å; M284-F291 HydrophobicContact CE-CE2 4.17Å |
| 285 | K | 94.7 | Very high | 95.4 | Very high | 143 Ų | 143 | 75.9 Ų | 75.9 | 62% | 0.622 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.6 | -41.8 | -178 | 63.9 | 178.6 | -162.4 | -177.2 | 0 | 113.9 | Q281 | Q281-K285 WeakPolarHBondContact O-CA 3.26Å; Q281-K285 VanDerWaalsContact O-CB 3.23Å; Q281-K285 WeakPolarHBondContact O-CB 3.39Å; Q281-K285 PolarHBondContact O-N 3.1Å |
| 286 | D | 93.7 | Very high | 95.3 | Very high | 136 Ų | 136 | 73.3 Ų | 73.3 | 73% | 0.727 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | 2.1 | -176.3 | -55.6 | -43.1 | 0 | 0 | 0 | 112 | M284 | M284-D286 PolarHBondContact O-N 2.7Å; M284-D286 VanDerWaalsContact O-N 3.14Å |
| 287 | C | 93.2 | Very high | 95.1 | Very high | 9 Ų | 9 | 77.1 Ų | 77.1 | 6% | 0.061 | 37% | 0.365 | C | S | . | . | trans | -83.2 | 123.8 | 176.6 | -170.9 | 0 | 0 | 0 | 0 | 109.5 | K177 M284 V289 | K177-C287 HydrophobicContact CD-CB 4.46Å; K177-C287 HydrophobicContact CG-CB 4.22Å; M284-C287 HydrophobicContact CB-CB 4.4Å; M284-C287 HydrophobicContact CE-CB 3.78Å; M284-C287 VanDerWaalsContact CE-SG 3.57Å; M284-C287 VanDerWaalsContact O-CB 3.31Å; M284-C287 WeakPolarHBondContact O-CB 3.42Å; M284-C287 PolarHBondContact O-N 2.88Å; M284-C287 HydrophobicContact SD-CB 4.26Å; C287-V289 PolarHBondContact O-N 2.89Å | ||
| 288 | P | 94.2 | Very high | 94.9 | Very high | 78 Ų | 78 | 77.9 Ų | 77.9 | 51% | 0.506 | 37% | 0.369 | S | S | . | . | trans | -73.4 | -14.6 | 178.5 | 32.4 | -38.1 | 0 | 0 | 0 | 112.5 | W180 K290 | W180-P288 HydrophobicContact CZ2-CG 4.18Å; P288-K290 PolarHBondContact O-N 2.89Å | ||
| 289 | V | 95.8 | Very high | 94.8 | Very high | 7 Ų | 7 | 75 Ų | 75 | 4% | 0.042 | 36% | 0.356 | C | S | . | . | trans | -67.5 | 124 | 179.6 | -171.4 | 0 | 0 | 0 | 0 | 110.1 | W180 F190 F192 C287 F291 | W180-V289 HydrophobicContact CB-CG2 3.66Å; W180-V289 HydrophobicContact CD2-CG2 3.27Å; W180-V289 HydrophobicContact CE3-CG2 3.6Å; W180-V289 HydrophobicContact CG-CG2 3.26Å; W180-V289 HydrophobicContact CZ3-CG2 4.37Å; F190-V289 HydrophobicContact CE1-CG1 4.17Å; F190-V289 HydrophobicContact CZ-CG1 4.27Å; F190-V289 HydrophobicContact CZ-CG2 4.47Å; F192-V289 HydrophobicContact CE1-CG1 3.59Å; F192-V289 HydrophobicContact CZ-CG1 3.8Å; C287-V289 PolarHBondContact O-N 2.89Å; V289-F291 HydrophobicContact CB-CE2 4.02Å; V289-F291 HydrophobicContact CG1-CD2 3.96Å; V289-F291 HydrophobicContact CG1-CE2 3.31Å; V289-F291 HydrophobicContact CG1-CZ 3.7Å | ||
| 290 | K | 94.8 | Very high | 94.5 | Very high | 157 Ų | 157 | 78.9 Ų | 78.9 | 68% | 0.683 | 37% | 0.374 | S | S | * | . | trans | -108 | 119.9 | 178 | -59 | -54.4 | -180 | -167.1 | 0 | 110.2 | P288 | P288-K290 PolarHBondContact O-N 2.89Š| ||
| 291 | F | 97.4 | Very high | 94.3 | Very high | 35 Ų | 35 | 82 Ų | 82 | 15% | 0.154 | 39% | 0.391 | C | S | . | . | trans | -98.2 | 141.8 | 177.5 | -72.7 | -90.1 | 0 | 0 | 0 | 110.7 | C129 N131 W172 V176 F192 Y280 M284 V289 | C129-F291 HydrophobicContact CB-CE1 3.85Å; C129-F291 HydrophobicContact CB-CZ 4.06Å; C129-F291 WeakPolarHBondContact SG-CE1 3.38Å; N131-F291 HydrophobicContact CB-CB 4.29Å; N131-F291 HydrophobicContact CB-CD1 4.41Å; W172-F291 AromaticContact CH2-CD2 3.96Å; W172-F291 HydrophobicContact CH2-CD2 3.96Å; W172-F291 HydrophobicContact CH2-CE1 4.32Å; W172-F291 AromaticContact CH2-CE2 3.64Å; W172-F291 HydrophobicContact CH2-CE2 3.64Å; W172-F291 HydrophobicContact CH2-CG 4.42Å; W172-F291 AromaticContact CH2-CZ 3.86Å; W172-F291 HydrophobicContact CH2-CZ 3.86Å; W172-F291 HydrophobicContact CZ2-CD1 4.29Å; W172-F291 HydrophobicContact CZ2-CD2 4.41Å; W172-F291 AromaticContact CZ2-CE1 3.84Å; W172-F291 HydrophobicContact CZ2-CE1 3.84Å; W172-F291 AromaticContact CZ2-CE2 3.97Å; W172-F291 HydrophobicContact CZ2-CE2 3.97Å; W172-F291 AromaticContact CZ2-CZ 3.67Å; W172-F291 HydrophobicContact CZ2-CZ 3.67Å; V176-F291 HydrophobicContact CG1-CE2 3.78Å; V176-F291 HydrophobicContact CG1-CZ 3.54Å; V176-F291 HydrophobicContact CG2-CZ 4.23Å; F192-F291 HydrophobicContact CD1-CD1 4.25Å; F192-F291 HydrophobicContact CD1-CE1 4.13Å; F192-F291 HydrophobicContact CE1-CD1 4.41Å; F192-F291 HydrophobicContact CE1-CE1 4.18Å; F192-F291 HydrophobicContact CE1-CZ 4.37Å; Y280-F291 WeakPolarHBondContact OH-CD2 3.35Å; M284-F291 HydrophobicContact CE-CE2 4.17Å; V289-F291 HydrophobicContact CB-CE2 4.02Å; V289-F291 HydrophobicContact CG1-CD2 3.96Å; V289-F291 HydrophobicContact CG1-CE2 3.31Å; V289-F291 HydrophobicContact CG1-CZ 3.7Å | ||
| 292 | R | 97.3 | Very high | 94 | Very high | 75 Ų | 75 | 80.9 Ų | 80.9 | 28% | 0.283 | 39% | 0.386 | S | S | . | . | trans | -96.9 | 128.7 | 168.7 | -61.4 | -176.9 | -70.2 | 169.3 | -4.9 | 108.3 | N131 E194 D195 E198 E294 | N131-R292 WeakPolarHBondContact CB-O 3.35Å; E194-R292 HydrophobicContact CB-CB 4.41Å; E194-R292 HydrophobicContact CG-CB 4.33Å; E194-R292 WeakPolarHBondContact CG-O 3.34Å; D195-R292 IonicContact OD1-CZ 2.94Å; D195-R292 IonicContact OD1-NE 2.75Å; D195-R292 IonicContact OD1-NH2 3.52Å; D195-R292 PolarHBondContact OD1-NH2 3.31Å; E198-R292 IonicContact OE1-CZ 2.63Å; E198-R292 IonicContact OE1-NH1 3.16Å; E198-R292 PolarHBondContact OE1-NH1 3.35Å; E198-R292 IonicContact OE2-CZ 3.63Å; E198-R292 VanDerWaalsContact OE2-CZ 3.24Å; E198-R292 IonicContact OE2-NH1 3.87Å; E198-R292 PolarHBondContact OE2-NH1 3.08Å; E198-R292 IonicContact OE2-NH2 3.85Å; E198-R292 PolarHBondContact OE2-NH2 3.39Å; R292-E294 VanDerWaalsContact C-N 3.34Å | ||
| 293 | A | 91.2 | Very high | 93.8 | Very high | 29 Ų | 29 | 74.8 Ų | 74.8 | 24% | 0.24 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -93.3 | -4.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | W264 | W264-A293 HydrophobicContact CZ2-CB 4.33Å; W264-A293 PolarHBondContact NE1-O 3.2Å |
| 294 | E | 88.6 | Confident | 93.4 | Very high | 102 Ų | 102 | 75.2 Ų | 75.2 | 48% | 0.477 | 37% | 0.373 | S | S | . | . | trans | -147.8 | 154.3 | -172.9 | -40.4 | -162.2 | 145.3 | 0 | 0 | 109.1 | R265 R292 | R265-E294 IonicContact CZ-OE1 3.27Å; R265-E294 IonicContact NH1-OE1 2.75Å; R265-E294 PolarHBondContact NH1-OE1 3.1Å; R265-E294 IonicContact NH1-OE2 3.42Å; R292-E294 VanDerWaalsContact C-N 3.34Å | ||
| 295 | L | 82.9 | Confident | 93.1 | Very high | 123 Ų | 123 | 81.3 Ų | 81.3 | 64% | 0.644 | 40% | 0.403 | S | S | * | . | trans | -123.8 | 0 | 172.6 | -68.7 | -179.1 | 0 | 0 | 0 | 109.2 | E194 K197 E198 V261 | E194-L295 HydrophobicContact CB-CD2 4.16Å; K197-L295 HydrophobicContact CB-CD1 3.39Å; E198-L295 HydrophobicContact CB-CD1 4.4Å; E198-L295 HydrophobicContact CB-CD2 4.04Å; V261-L295 HydrophobicContact CB-CD1 4.02Å; V261-L295 HydrophobicContact CB-CG 3.97Å; V261-L295 HydrophobicContact CG1-CG 4.16Å; V261-L295 HydrophobicContact CG2-CD1 3.56Å; V261-L295 HydrophobicContact CG2-CG 3.91Å |
Retrieved 295 of 295 residues in 1068.5 ms
(Link to these results)