| 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 | 45.5 | Very low | 73.6 | Confident | 244 Ų | 244 | 105.7 Ų | 105.7 | 100% | 1.202 | 64% | 0.638 | S | S | * | * | 0 | 103.4 | 0 | -65.1 | 176.3 | -167.3 | 0 | 0 | 107.7 | G3 | M1-G3 PolarHBondContact O-N 3.23Š| |||
| 2 | A | 53.7 | Low | 74.7 | Confident | 105 Ų | 105 | 110.7 Ų | 110.7 | 87% | 0.868 | 64% | 0.636 | S | S | * | * | trans | -70.8 | 111.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 110 | T4 | A2-T4 PolarHBondContact O-N 3.05Š| ||
| 3 | G | 60.2 | Low | 75.6 | Confident | 76 Ų | 76 | 111.2 Ų | 111.2 | 78% | 0.784 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 121 | 175 | 0 | 0 | 0 | 0 | 0 | 110 | M1 S5 | M1-G3 PolarHBondContact O-N 3.23Å; G3-S5 PolarHBondContact O-N 3.13Å |
| 4 | T | 67.7 | Low | 76.5 | Confident | 76 Ų | 76 | 106.1 Ų | 106.1 | 47% | 0.466 | 60% | 0.599 | S | S | . | * | P | Polyproline II helix | trans | -55.5 | 129.6 | 176.2 | 48.1 | 0 | 0 | 0 | 0 | 110.6 | A2 | A2-T4 PolarHBondContact O-N 3.05Š|
| 5 | S | 80.8 | Confident | 77.1 | Confident | 81 Ų | 81 | 108.7 Ų | 108.7 | 57% | 0.566 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 150.3 | -178.8 | 67.2 | 0 | 0 | 0 | 0 | 112.4 | G3 G7 A8 R9 | G3-S5 PolarHBondContact O-N 3.13Å; S5-G7 PolarHBondContact O-N 3.27Å; S5-A8 WeakPolarHBondContact O-CB 3.38Å; S5-A8 PolarHBondContact O-N 3.27Å; S5-A8 WeakPolarHBondContact OG-CB 3.37Å; S5-A8 PolarHBondContact OG-N 3.07Å; S5-R9 PolarHBondContact O-N 2.84Å; S5-R9 VanDerWaalsContact O-N 3.14Å |
| 6 | A | 78.6 | Confident | 78 | Confident | 78 Ų | 78 | 114.5 Ų | 114.5 | 65% | 0.645 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -54.4 | -38.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | R9 F10 | A6-R9 PolarHBondContact O-N 3.43Å; A6-F10 PolarHBondContact O-N 2.98Å |
| 7 | G | 82.3 | Confident | 78.6 | Confident | 50 Ų | 50 | 113.6 Ų | 113.6 | 52% | 0.515 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64.7 | -38.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113.6 | S5 R9 F10 Y11 | S5-G7 PolarHBondContact O-N 3.27Å; G7-R9 VanDerWaalsContact C-N 3.3Å; G7-R9 PolarHBondContact O-N 3.12Å; G7-F10 PolarHBondContact O-N 3.46Å; G7-Y11 WeakPolarHBondContact O-CB 3.45Å; G7-Y11 PolarHBondContact O-N 3.29Å |
| 8 | A | 83.1 | Confident | 79.1 | Confident | 37 Ų | 37 | 112.4 Ų | 112.4 | 31% | 0.306 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -67.2 | -31.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S5 R12 | S5-A8 WeakPolarHBondContact O-CB 3.38Å; S5-A8 PolarHBondContact O-N 3.27Å; S5-A8 WeakPolarHBondContact OG-CB 3.37Å; S5-A8 PolarHBondContact OG-N 3.07Å; A8-R12 WeakPolarHBondContact O-CB 3.4Å; A8-R12 PolarHBondContact O-N 3.5Å |
| 9 | R | 85.9 | Confident | 79.6 | Confident | 163 Ų | 163 | 109.2 Ų | 109.2 | 62% | 0.615 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -70.6 | -44.7 | 174.1 | -60.7 | -153 | -63.9 | -166.5 | -0.4 | 111.7 | S5 A6 G7 R12 Q13 | S5-R9 PolarHBondContact O-N 2.84Å; S5-R9 VanDerWaalsContact O-N 3.14Å; A6-R9 PolarHBondContact O-N 3.43Å; G7-R9 VanDerWaalsContact C-N 3.3Å; G7-R9 PolarHBondContact O-N 3.12Å; R9-R12 PolarHBondContact O-N 3.32Å; R9-Q13 PolarHBondContact O-N 2.96Å |
| 10 | F | 85.6 | Confident | 80 | Confident | 117 Ų | 117 | 106.8 Ų | 106.8 | 51% | 0.513 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.5 | -46.6 | 177.8 | -176.3 | -112.1 | 0 | 0 | 0 | 112.5 | A6 G7 R12 Q13 I14 I24 | A6-F10 PolarHBondContact O-N 2.98Å; G7-F10 PolarHBondContact O-N 3.46Å; F10-R12 VanDerWaalsContact C-N 3.32Å; F10-R12 PolarHBondContact O-N 3.42Å; F10-Q13 WeakPolarHBondContact O-CB 3.05Å; F10-Q13 PolarHBondContact O-N 3.44Å; F10-Q13 VanDerWaalsContact O-N 3.11Å; F10-I14 HydrophobicContact CD1-CD1 3.69Å; F10-I14 HydrophobicContact CE1-CD1 3.25Å; F10-I14 HydrophobicContact CE1-CG1 4.34Å; F10-I14 HydrophobicContact CE2-CD1 4.19Å; F10-I14 HydrophobicContact CG-CD1 4.35Å; F10-I14 HydrophobicContact CZ-CD1 3.54Å; F10-I14 HydrophobicContact CZ-CG1 4.31Å; F10-I14 PolarHBondContact O-N 3.21Å; F10-I24 HydrophobicContact CE2-CD1 4.46Å; F10-I24 HydrophobicContact CZ-CD1 4.01Å |
| 11 | Y | 85.9 | Confident | 80.5 | Confident | 136 Ų | 136 | 106.4 Ų | 106.4 | 53% | 0.533 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -59.2 | -42.2 | 176.4 | 179 | -101.8 | 0 | 0 | 0 | 112.5 | G7 Q13 I14 K15 | G7-Y11 WeakPolarHBondContact O-CB 3.45Å; G7-Y11 PolarHBondContact O-N 3.29Å; Y11-Q13 VanDerWaalsContact C-N 3.28Å; Y11-Q13 PolarHBondContact O-N 2.96Å; Y11-I14 PolarHBondContact O-N 3.03Å; Y11-K15 HydrophobicContact CD1-CD 4.45Å; Y11-K15 HydrophobicContact CE1-CD 3.71Å; Y11-K15 HydrophobicContact CE1-CG 4.34Å; Y11-K15 VanDerWaalsContact CZ-CE 3.44Å; Y11-K15 PolarHBondContact O-N 3.4Å; Y11-K15 WeakPolarHBondContact OH-CE 3.3Å; Y11-K15 PolarHBondContact OH-NZ 2.98Å |
| 12 | R | 87.1 | Confident | 82.7 | Confident | 165 Ų | 165 | 98.1 Ų | 98.1 | 62% | 0.623 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64 | -35.5 | 177.1 | -159 | -178 | -59.5 | -159.4 | 0 | 111.7 | A8 R9 F10 R16 | A8-R12 WeakPolarHBondContact O-CB 3.4Å; A8-R12 PolarHBondContact O-N 3.5Å; R9-R12 PolarHBondContact O-N 3.32Å; F10-R12 VanDerWaalsContact C-N 3.32Å; F10-R12 PolarHBondContact O-N 3.42Å; R12-R16 WeakPolarHBondContact O-CB 3.41Å; R12-R16 PolarHBondContact O-N 3.3Å; R12-R16 VanDerWaalsContact O-N 3.1Å |
| 13 | Q | 86.2 | Confident | 84.6 | Confident | 118 Ų | 118 | 98.9 Ų | 98.9 | 55% | 0.551 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -71.2 | -40.5 | 178.1 | -165.6 | 160.8 | -39.5 | 0 | 0 | 112.4 | R9 F10 Y11 R16 H17 | R9-Q13 PolarHBondContact O-N 2.96Å; F10-Q13 WeakPolarHBondContact O-CB 3.05Å; F10-Q13 PolarHBondContact O-N 3.44Å; F10-Q13 VanDerWaalsContact O-N 3.11Å; Y11-Q13 VanDerWaalsContact C-N 3.28Å; Y11-Q13 PolarHBondContact O-N 2.96Å; Q13-R16 PolarHBondContact O-N 3.38Å; Q13-H17 PolarHBondContact O-N 3.1Å; Q13-H17 VanDerWaalsContact O-N 3.12Å |
| 14 | I | 88.6 | Confident | 86.1 | Confident | 39 Ų | 39 | 97.9 Ų | 97.9 | 20% | 0.2 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 173.7 | -68.4 | 170.8 | 0 | 0 | 0 | 110.9 | F10 Y11 R16 H17 I21 I24 | F10-I14 HydrophobicContact CD1-CD1 3.69Å; F10-I14 HydrophobicContact CE1-CD1 3.25Å; F10-I14 HydrophobicContact CE1-CG1 4.34Å; F10-I14 HydrophobicContact CE2-CD1 4.19Å; F10-I14 HydrophobicContact CG-CD1 4.35Å; F10-I14 HydrophobicContact CZ-CD1 3.54Å; F10-I14 HydrophobicContact CZ-CG1 4.31Å; F10-I14 PolarHBondContact O-N 3.21Å; Y11-I14 PolarHBondContact O-N 3.03Å; I14-R16 VanDerWaalsContact C-N 3.28Å; I14-R16 PolarHBondContact O-N 3.37Å; I14-H17 CarbonylContact O-C 3.26Å; I14-H17 VanDerWaalsContact O-C 3.26Å; I14-H17 PolarHBondContact O-N 3.11Å; I14-I21 HydrophobicContact CG2-CD1 4.18Å; I14-I21 HydrophobicContact CG2-CG1 3.62Å; I14-I24 HydrophobicContact CD1-CD1 4.21Å; I14-I24 HydrophobicContact CG1-CD1 4.27Å |
| 15 | K | 85.9 | Confident | 87.4 | Confident | 145 Ų | 145 | 95.9 Ų | 95.9 | 63% | 0.63 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.8 | -34.3 | 176.6 | -87.1 | -165.8 | 163.6 | 176.5 | 0 | 113.2 | Y11 H17 | Y11-K15 HydrophobicContact CD1-CD 4.45Å; Y11-K15 HydrophobicContact CE1-CD 3.71Å; Y11-K15 HydrophobicContact CE1-CG 4.34Å; Y11-K15 VanDerWaalsContact CZ-CE 3.44Å; Y11-K15 PolarHBondContact O-N 3.4Å; Y11-K15 WeakPolarHBondContact OH-CE 3.3Å; Y11-K15 PolarHBondContact OH-NZ 2.98Å; K15-H17 VanDerWaalsContact C-N 3.34Å |
| 16 | R | 90.6 | Very high | 88.1 | Confident | 202 Ų | 202 | 99.4 Ų | 99.4 | 76% | 0.762 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -75.7 | -24.4 | 179.9 | -164.6 | 167.9 | -175.1 | 167.8 | 0.3 | 112.7 | R12 Q13 I14 | R12-R16 WeakPolarHBondContact O-CB 3.41Å; R12-R16 PolarHBondContact O-N 3.3Å; R12-R16 VanDerWaalsContact O-N 3.1Å; Q13-R16 PolarHBondContact O-N 3.38Å; I14-R16 VanDerWaalsContact C-N 3.28Å; I14-R16 PolarHBondContact O-N 3.37Å |
| 17 | H | 89.4 | Confident | 88.9 | Confident | 100 Ų | 100 | 100.4 Ų | 100.4 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | trans | -130.9 | 83.9 | -178.8 | -60.7 | -72.2 | 0 | 0 | 0 | 110.9 | Q13 I14 K15 G19 L20 | Q13-H17 PolarHBondContact O-N 3.1Å; Q13-H17 VanDerWaalsContact O-N 3.12Å; I14-H17 CarbonylContact O-C 3.26Å; I14-H17 VanDerWaalsContact O-C 3.26Å; I14-H17 PolarHBondContact O-N 3.11Å; K15-H17 VanDerWaalsContact C-N 3.34Å; H17-G19 PolarHBondContact O-N 3.05Å; H17-G19 VanDerWaalsContact O-N 3.13Å; H17-L20 HydrophobicContact CB-CD1 3.75Å; H17-L20 HydrophobicContact CB-CG 3.94Å; H17-L20 WeakPolarHBondContact O-CB 3.32Å; H17-L20 PolarHBondContact O-N 3.37Å | ||
| 18 | P | 86.5 | Confident | 89.6 | Confident | 91 Ų | 91 | 101.9 Ų | 101.9 | 59% | 0.591 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -23.3 | -175.3 | 24.1 | -33.6 | 0 | 0 | 0 | 113.6 | L20 I21 | P18-L20 PolarHBondContact O-N 3.31Å; P18-I21 WeakPolarHBondContact O-CB 3.41Å; P18-I21 WeakPolarHBondContact O-CG1 3.36Å; P18-I21 PolarHBondContact O-N 3Å |
| 19 | G | 88.6 | Confident | 90.2 | Very high | 52 Ų | 52 | 105.8 Ų | 105.8 | 54% | 0.536 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -16.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | H17 I21 P22 | H17-G19 PolarHBondContact O-N 3.05Å; H17-G19 VanDerWaalsContact O-N 3.13Å; G19-I21 VanDerWaalsContact C-N 3.33Å; G19-P22 WeakPolarHBondContact O-CD 3.49Å; G19-P22 WeakPolarHBondContact O-CG 3.32Å |
| 20 | L | 88.5 | Confident | 90.7 | Very high | 60 Ų | 60 | 99.8 Ų | 99.8 | 31% | 0.314 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -75.6 | -22.9 | 175.8 | -65.4 | 177.1 | 0 | 0 | 0 | 112.8 | H17 P18 M23 I24 | H17-L20 HydrophobicContact CB-CD1 3.75Å; H17-L20 HydrophobicContact CB-CG 3.94Å; H17-L20 WeakPolarHBondContact O-CB 3.32Å; H17-L20 PolarHBondContact O-N 3.37Å; P18-L20 PolarHBondContact O-N 3.31Å; L20-M23 PolarHBondContact O-N 2.74Å; L20-I24 HydrophobicContact CB-CD1 4.29Å; L20-I24 WeakPolarHBondContact O-CB 3.45Å; L20-I24 VanDerWaalsContact O-CG1 3.32Å; L20-I24 WeakPolarHBondContact O-CG1 3.44Å; L20-I24 PolarHBondContact O-N 2.99Å |
| 21 | I | 89.1 | Confident | 91.3 | Very high | 99 Ų | 99 | 100.9 Ų | 100.9 | 51% | 0.508 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.4 | -54 | -178.3 | -60.6 | 169.5 | 0 | 0 | 0 | 111.5 | I14 P18 G19 M23 I24 G25 | I14-I21 HydrophobicContact CG2-CD1 4.18Å; I14-I21 HydrophobicContact CG2-CG1 3.62Å; P18-I21 WeakPolarHBondContact O-CB 3.41Å; P18-I21 WeakPolarHBondContact O-CG1 3.36Å; P18-I21 PolarHBondContact O-N 3Å; G19-I21 VanDerWaalsContact C-N 3.33Å; I21-M23 VanDerWaalsContact C-N 3.35Å; I21-M23 PolarHBondContact O-N 2.87Å; I21-I24 PolarHBondContact O-N 3.25Å; I21-G25 PolarHBondContact O-N 3.47Å |
| 22 | P | 93.6 | Very high | 91.8 | Very high | 70 Ų | 70 | 96 Ų | 96 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.8 | -38.2 | 178.2 | 23.3 | -33.7 | 0 | 0 | 0 | 112.5 | G19 G25 F26 | G19-P22 WeakPolarHBondContact O-CD 3.49Å; G19-P22 WeakPolarHBondContact O-CG 3.32Å; P22-G25 PolarHBondContact O-N 2.9Å; P22-F26 HydrophobicContact CB-CE2 4.39Å; P22-F26 WeakPolarHBondContact O-CD2 3.48Å; P22-F26 PolarHBondContact O-N 3.44Å |
| 23 | M | 92.3 | Very high | 92.2 | Very high | 121 Ų | 121 | 91.5 Ų | 91.5 | 60% | 0.596 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62 | -49.8 | 178.5 | -72.4 | -171.9 | 94 | 0 | 0 | 112.1 | L20 I21 G25 F26 I27 | L20-M23 PolarHBondContact O-N 2.74Å; I21-M23 VanDerWaalsContact C-N 3.35Å; I21-M23 PolarHBondContact O-N 2.87Å; M23-G25 VanDerWaalsContact C-N 3.27Å; M23-G25 PolarHBondContact O-N 2.83Å; M23-F26 PolarHBondContact O-N 2.88Å; M23-I27 VanDerWaalsContact O-CG1 3.3Å; M23-I27 WeakPolarHBondContact O-CG1 3.47Å; M23-I27 PolarHBondContact O-N 3.27Å |
| 24 | I | 92.4 | Very high | 92.7 | Very high | 56 Ų | 56 | 88.4 Ų | 88.4 | 29% | 0.287 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.9 | -39.5 | 177.6 | -66.1 | 166.4 | 0 | 0 | 0 | 110 | F10 I14 L20 I21 F26 I27 C28 | F10-I24 HydrophobicContact CE2-CD1 4.46Å; F10-I24 HydrophobicContact CZ-CD1 4.01Å; I14-I24 HydrophobicContact CD1-CD1 4.21Å; I14-I24 HydrophobicContact CG1-CD1 4.27Å; L20-I24 HydrophobicContact CB-CD1 4.29Å; L20-I24 WeakPolarHBondContact O-CB 3.45Å; L20-I24 VanDerWaalsContact O-CG1 3.32Å; L20-I24 WeakPolarHBondContact O-CG1 3.44Å; L20-I24 PolarHBondContact O-N 2.99Å; I21-I24 PolarHBondContact O-N 3.25Å; I24-F26 PolarHBondContact O-N 3.33Å; I24-I27 PolarHBondContact O-N 2.98Å; I24-C28 WeakPolarHBondContact O-CB 3Å; I24-C28 PolarHBondContact O-N 3.37Å; I24-C28 PolarHBondContact O-SG 2.88Å; I24-C28 VanDerWaalsContact O-SG 3.33Å |
| 25 | G | 94.1 | Very high | 93 | Very high | 34 Ų | 34 | 88.4 Ų | 88.4 | 35% | 0.351 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -55.2 | -50 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I21 P22 M23 C28 L29 | I21-G25 PolarHBondContact O-N 3.47Å; P22-G25 PolarHBondContact O-N 2.9Å; M23-G25 VanDerWaalsContact C-N 3.27Å; M23-G25 PolarHBondContact O-N 2.83Å; G25-C28 PolarHBondContact O-N 3.07Å; G25-L29 WeakPolarHBondContact O-CB 3.43Å; G25-L29 PolarHBondContact O-N 3.29Å |
| 26 | F | 95.8 | Very high | 93.5 | Very high | 154 Ų | 154 | 87.2 Ų | 87.2 | 68% | 0.675 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66 | -37.8 | 178 | -72.2 | -60.1 | 0 | 0 | 0 | 113 | P22 M23 I24 L29 G30 | P22-F26 HydrophobicContact CB-CE2 4.39Å; P22-F26 WeakPolarHBondContact O-CD2 3.48Å; P22-F26 PolarHBondContact O-N 3.44Å; M23-F26 PolarHBondContact O-N 2.88Å; I24-F26 PolarHBondContact O-N 3.33Å; F26-L29 PolarHBondContact O-N 3.41Å; F26-G30 PolarHBondContact O-N 2.92Å |
| 27 | I | 95.9 | Very high | 93.6 | Very high | 100 Ų | 100 | 83.2 Ų | 83.2 | 51% | 0.513 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.4 | -47.9 | 176.6 | -66.6 | 165.1 | 0 | 0 | 0 | 110.4 | M23 I24 L29 G30 M31 | M23-I27 VanDerWaalsContact O-CG1 3.3Å; M23-I27 WeakPolarHBondContact O-CG1 3.47Å; M23-I27 PolarHBondContact O-N 3.27Å; I24-I27 PolarHBondContact O-N 2.98Å; I27-L29 VanDerWaalsContact C-N 3.34Å; I27-L29 PolarHBondContact O-N 3.14Å; I27-G30 PolarHBondContact O-N 3.44Å; I27-M31 HydrophobicContact CG2-CG 4.46Å; I27-M31 HydrophobicContact CG2-SD 3.98Å; I27-M31 WeakPolarHBondContact O-CB 3.44Å; I27-M31 WeakPolarHBondContact O-CG 3.42Å; I27-M31 PolarHBondContact O-N 3.27Å |
| 28 | C | 95.9 | Very high | 93.8 | Very high | 80 Ų | 80 | 83.9 Ų | 83.9 | 54% | 0.541 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.7 | -40.7 | 177.2 | -70.1 | 0 | 0 | 0 | 0 | 111.8 | I24 G25 G32 | I24-C28 WeakPolarHBondContact O-CB 3Å; I24-C28 PolarHBondContact O-N 3.37Å; I24-C28 PolarHBondContact O-SG 2.88Å; I24-C28 VanDerWaalsContact O-SG 3.33Å; G25-C28 PolarHBondContact O-N 3.07Å; C28-G32 WeakPolarHBondContact O-CA 3.46Å; C28-G32 PolarHBondContact O-N 3.43Å |
| 29 | L | 96.6 | Very high | 94.1 | Very high | 120 Ų | 120 | 84.2 Ų | 84.2 | 63% | 0.628 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.8 | -45.2 | 173.7 | -92.1 | 163.8 | 0 | 0 | 0 | 111.9 | G25 F26 I27 S33 | G25-L29 WeakPolarHBondContact O-CB 3.43Å; G25-L29 PolarHBondContact O-N 3.29Å; F26-L29 PolarHBondContact O-N 3.41Å; I27-L29 VanDerWaalsContact C-N 3.34Å; I27-L29 PolarHBondContact O-N 3.14Å; L29-S33 VanDerWaalsContact O-CB 3.24Å; L29-S33 WeakPolarHBondContact O-CB 3.24Å; L29-S33 PolarHBondContact O-N 2.97Å; L29-S33 PolarHBondContact O-OG 3.2Å |
| 30 | G | 96.8 | Very high | 94.3 | Very high | 37 Ų | 37 | 84.3 Ų | 84.3 | 38% | 0.381 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.8 | -50.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | F26 I27 S33 A34 | F26-G30 PolarHBondContact O-N 2.92Å; I27-G30 PolarHBondContact O-N 3.44Å; G30-S33 PolarHBondContact O-OG 3.4Å; G30-A34 WeakPolarHBondContact O-CB 3.43Å; G30-A34 PolarHBondContact O-N 3.2Å |
| 31 | M | 97.2 | Very high | 94.4 | Very high | 139 Ų | 139 | 84.4 Ų | 84.4 | 69% | 0.685 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.1 | -42.9 | 177.9 | -71.1 | 180 | 64.8 | 0 | 0 | 112.1 | I27 G35 | I27-M31 HydrophobicContact CG2-CG 4.46Å; I27-M31 HydrophobicContact CG2-SD 3.98Å; I27-M31 WeakPolarHBondContact O-CB 3.44Å; I27-M31 WeakPolarHBondContact O-CG 3.42Å; I27-M31 PolarHBondContact O-N 3.27Å; M31-G35 PolarHBondContact O-N 3.01Å |
| 32 | G | 96.9 | Very high | 94.4 | Very high | 35 Ų | 35 | 81 Ų | 81 | 36% | 0.361 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.9 | -48.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | C28 G35 L36 | C28-G32 WeakPolarHBondContact O-CA 3.46Å; C28-G32 PolarHBondContact O-N 3.43Å; G32-G35 PolarHBondContact O-N 3.39Å; G32-L36 WeakPolarHBondContact O-CB 3.45Å; G32-L36 VanDerWaalsContact O-CG 3.24Å; G32-L36 WeakPolarHBondContact O-CG 3.41Å; G32-L36 PolarHBondContact O-N 3.29Å |
| 33 | S | 95.6 | Very high | 94.1 | Very high | 69 Ų | 69 | 83.2 Ų | 83.2 | 48% | 0.483 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 178.5 | 57.4 | 0 | 0 | 0 | 0 | 112.6 | L29 G30 L36 Y37 | L29-S33 VanDerWaalsContact O-CB 3.24Å; L29-S33 WeakPolarHBondContact O-CB 3.24Å; L29-S33 PolarHBondContact O-N 2.97Å; L29-S33 PolarHBondContact O-OG 3.2Å; G30-S33 PolarHBondContact O-OG 3.4Å; S33-L36 PolarHBondContact O-N 3.45Å; S33-Y37 WeakPolarHBondContact O-CB 3.24Å; S33-Y37 PolarHBondContact O-N 2.93Å |
| 34 | A | 95.9 | Very high | 93.7 | Very high | 53 Ų | 53 | 85.8 Ų | 85.8 | 44% | 0.438 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.5 | -46.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | G30 Y37 L38 | G30-A34 WeakPolarHBondContact O-CB 3.43Å; G30-A34 PolarHBondContact O-N 3.2Å; A34-Y37 PolarHBondContact O-N 3.44Å; A34-L38 WeakPolarHBondContact O-CG 3.06Å; A34-L38 PolarHBondContact O-N 3.36Å |
| 35 | G | 96.3 | Very high | 93.3 | Very high | 39 Ų | 39 | 83.7 Ų | 83.7 | 40% | 0.402 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | M31 G32 Y37 L38 L39 | M31-G35 PolarHBondContact O-N 3.01Å; G32-G35 PolarHBondContact O-N 3.39Å; G35-Y37 VanDerWaalsContact C-N 3.33Å; G35-Y37 PolarHBondContact O-N 2.9Å; G35-L38 PolarHBondContact O-N 2.97Å; G35-L39 WeakPolarHBondContact O-CB 3.21Å; G35-L39 PolarHBondContact O-N 2.74Å |
| 36 | L | 95.2 | Very high | 92.9 | Very high | 120 Ų | 120 | 82.8 Ų | 82.8 | 63% | 0.628 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62 | -40 | 176 | -73.5 | 172.3 | 0 | 0 | 0 | 112.1 | G32 S33 L39 R40 | G32-L36 WeakPolarHBondContact O-CB 3.45Å; G32-L36 VanDerWaalsContact O-CG 3.24Å; G32-L36 WeakPolarHBondContact O-CG 3.41Å; G32-L36 PolarHBondContact O-N 3.29Å; S33-L36 PolarHBondContact O-N 3.45Å; L36-L39 PolarHBondContact O-N 3.32Å; L36-R40 VanDerWaalsContact O-CB 3.29Å; L36-R40 WeakPolarHBondContact O-CB 3.49Å; L36-R40 PolarHBondContact O-N 3.4Å |
| 37 | Y | 93 | Very high | 92.4 | Very high | 119 Ų | 119 | 81.8 Ų | 81.8 | 47% | 0.467 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.4 | -44.1 | 178 | -177.3 | -109.9 | 0 | 0 | 0 | 112.1 | S33 A34 G35 R40 L41 F70 | S33-Y37 WeakPolarHBondContact O-CB 3.24Å; S33-Y37 PolarHBondContact O-N 2.93Å; A34-Y37 PolarHBondContact O-N 3.44Å; G35-Y37 VanDerWaalsContact C-N 3.33Å; G35-Y37 PolarHBondContact O-N 2.9Å; Y37-R40 PolarHBondContact O-N 2.67Å; Y37-L41 PolarHBondContact O-N 2.79Å; Y37-F70 HydrophobicContact CE2-CB 4.39Å |
| 38 | L | 93.3 | Very high | 91.9 | Very high | 114 Ų | 114 | 79.7 Ų | 79.7 | 60% | 0.597 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -63 | -43.6 | 175.5 | -70.8 | 175.2 | 0 | 0 | 0 | 111.8 | A34 G35 R40 L41 A42 | A34-L38 WeakPolarHBondContact O-CG 3.06Å; A34-L38 PolarHBondContact O-N 3.36Å; G35-L38 PolarHBondContact O-N 2.97Å; L38-R40 VanDerWaalsContact C-N 3.31Å; L38-R40 PolarHBondContact O-N 3.34Å; L38-L41 PolarHBondContact O-N 2.96Å; L38-A42 WeakPolarHBondContact O-CB 3.4Å; L38-A42 PolarHBondContact O-N 3.35Å |
| 39 | L | 93.9 | Very high | 91.4 | Very high | 98 Ų | 98 | 77.8 Ų | 77.8 | 51% | 0.513 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.6 | -44.3 | 175.4 | 178.5 | 62.6 | 0 | 0 | 0 | 111.3 | G35 L36 L41 A42 L43 | G35-L39 WeakPolarHBondContact O-CB 3.21Å; G35-L39 PolarHBondContact O-N 2.74Å; L36-L39 PolarHBondContact O-N 3.32Å; L39-L41 VanDerWaalsContact C-N 3.35Å; L39-L41 PolarHBondContact O-N 3.29Å; L39-A42 PolarHBondContact O-N 3.31Å; L39-L43 HydrophobicContact CD1-CD1 3.75Å; L39-L43 HydrophobicContact CD1-CG 4.14Å; L39-L43 HydrophobicContact CG-CD1 4.02Å; L39-L43 WeakPolarHBondContact O-CG 3.42Å; L39-L43 PolarHBondContact O-N 3.21Å |
| 40 | R | 91.5 | Very high | 91 | Very high | 53 Ų | 53 | 80.8 Ų | 80.8 | 20% | 0.2 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 176.7 | 176.6 | -94.3 | -175.1 | -158.4 | -12.3 | 111.8 | L36 Y37 L38 R44 Y68 K69 F70 | L36-R40 VanDerWaalsContact O-CB 3.29Å; L36-R40 WeakPolarHBondContact O-CB 3.49Å; L36-R40 PolarHBondContact O-N 3.4Å; Y37-R40 PolarHBondContact O-N 2.67Å; L38-R40 VanDerWaalsContact C-N 3.31Å; L38-R40 PolarHBondContact O-N 3.34Å; R40-R44 WeakPolarHBondContact O-CB 3.37Å; R40-R44 PolarHBondContact O-N 3.46Å; R40-Y68 PolarHBondContact NH1-O 3.05Å; R40-Y68 PolarHBondContact NH2-O 3.46Å; R40-K69 PolarHBondContact NH2-O 3.36Å; R40-F70 VanDerWaalsContact NH2-CA 3.31Å |
| 41 | L | 90.1 | Very high | 90.4 | Very high | 62 Ų | 62 | 81.5 Ų | 81.5 | 33% | 0.325 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.4 | -47.1 | 175.9 | -174 | 69.1 | 0 | 0 | 0 | 110.7 | Y37 L38 L39 L43 S45 | Y37-L41 PolarHBondContact O-N 2.79Å; L38-L41 PolarHBondContact O-N 2.96Å; L39-L41 VanDerWaalsContact C-N 3.35Å; L39-L41 PolarHBondContact O-N 3.29Å; L41-L43 VanDerWaalsContact C-N 3.3Å; L41-L43 PolarHBondContact O-N 2.84Å; L41-S45 WeakPolarHBondContact O-CB 3.29Å; L41-S45 PolarHBondContact O-N 3.49Å |
| 42 | A | 89.9 | Confident | 89.8 | Confident | 29 Ų | 29 | 84.7 Ų | 84.7 | 24% | 0.24 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -56.4 | -43.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | L38 L39 W50 | L38-A42 WeakPolarHBondContact O-CB 3.4Å; L38-A42 PolarHBondContact O-N 3.35Å; L39-A42 PolarHBondContact O-N 3.31Å; A42-W50 HydrophobicContact CB-CZ2 4.18Å; A42-W50 PolarHBondContact O-NE1 3.22Å |
| 43 | L | 87.6 | Confident | 89.2 | Confident | 116 Ų | 116 | 92.2 Ų | 92.2 | 61% | 0.607 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -86.6 | -26.9 | -174.6 | -65 | 175.4 | 0 | 0 | 0 | 114.7 | L39 L41 | L39-L43 HydrophobicContact CD1-CD1 3.75Å; L39-L43 HydrophobicContact CD1-CG 4.14Å; L39-L43 HydrophobicContact CG-CD1 4.02Å; L39-L43 WeakPolarHBondContact O-CG 3.42Å; L39-L43 PolarHBondContact O-N 3.21Å; L41-L43 VanDerWaalsContact C-N 3.3Å; L41-L43 PolarHBondContact O-N 2.84Å |
| 44 | R | 84.4 | Confident | 88.6 | Confident | 175 Ų | 175 | 95.7 Ų | 95.7 | 66% | 0.66 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -119.2 | -4.9 | -172 | -62.4 | -168.6 | 177.6 | -176.7 | 0.7 | 114.9 | R40 | R40-R44 WeakPolarHBondContact O-CB 3.37Å; R40-R44 PolarHBondContact O-N 3.46Å |
| 45 | S | 84.3 | Confident | 87.8 | Confident | 11 Ų | 11 | 94.6 Ų | 94.6 | 8% | 0.077 | 46% | 0.459 | C | S | . | . | trans | -78.9 | 137.3 | 174.4 | -143.9 | 0 | 0 | 0 | 0 | 110.6 | L41 D47 V48 | L41-S45 WeakPolarHBondContact O-CB 3.29Å; L41-S45 PolarHBondContact O-N 3.49Å; S45-D47 PolarHBondContact O-N 3.29Å; S45-D47 PolarHBondContact OG-OD2 2.89Å; S45-V48 PolarHBondContact O-N 2.94Å | ||
| 46 | P | 85.6 | Confident | 87.2 | Confident | 16 Ų | 16 | 96.4 Ų | 96.4 | 10% | 0.104 | 46% | 0.464 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -15.9 | 174 | 23.9 | -26.3 | 0 | 0 | 0 | 113.2 | V48 P58 W59 M62 Y68 | P46-V48 PolarHBondContact O-N 3.43Å; P46-P58 WeakPolarHBondContact O-CB 3.09Å; P46-P58 WeakPolarHBondContact O-CG 3.37Å; P46-W59 HydrophobicContact CB-CB 4.41Å; P46-M62 HydrophobicContact CB-CE 3.45Å; P46-M62 VanDerWaalsContact CB-CE 3.45Å; P46-M62 HydrophobicContact CB-SD 3.8Å; P46-M62 HydrophobicContact CG-CE 3.78Å; P46-M62 HydrophobicContact CG-SD 3.92Å; P46-Y68 HydrophobicContact CG-CD2 4.27Å; P46-Y68 HydrophobicContact CG-CE2 4.36Å |
| 47 | D | 83.9 | Confident | 86.7 | Confident | 133 Ų | 133 | 94.9 Ų | 94.9 | 71% | 0.711 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -16.4 | -179 | -44.4 | -65.5 | 0 | 0 | 0 | 112.7 | S45 | S45-D47 PolarHBondContact O-N 3.29Å; S45-D47 PolarHBondContact OG-OD2 2.89Å |
| 48 | V | 86.3 | Confident | 86.2 | Confident | 55 Ų | 55 | 89.8 Ų | 89.8 | 33% | 0.333 | 44% | 0.435 | S | S | . | . | trans | -108.4 | 111.9 | -177.3 | -174.1 | 0 | 0 | 0 | 0 | 109.4 | S45 P46 W50 | S45-V48 PolarHBondContact O-N 2.94Å; P46-V48 PolarHBondContact O-N 3.43Å; V48-W50 HydrophobicContact CG1-CD2 4.39Å; V48-W50 HydrophobicContact CG1-CZ2 3.87Å | ||
| 49 | C | 85.9 | Confident | 85.7 | Confident | 41 Ų | 41 | 90.9 Ų | 90.9 | 28% | 0.277 | 43% | 0.432 | S | S | . | . | trans | -97.9 | 105.1 | 177.8 | -177.9 | 0 | 0 | 0 | 0 | 111.6 | D51 P58 | C49-D51 PolarHBondContact SG-O 3Å; C49-P58 HydrophobicContact CB-CG 3.68Å | ||
| 50 | W | 86.7 | Confident | 85.1 | Confident | 183 Ų | 183 | 91 Ų | 91 | 69% | 0.693 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -84.6 | -35 | 171.4 | -64 | 106 | 0 | 0 | 0 | 113.3 | A42 V48 | A42-W50 HydrophobicContact CB-CZ2 4.18Å; A42-W50 PolarHBondContact O-NE1 3.22Å; V48-W50 HydrophobicContact CG1-CD2 4.39Å; V48-W50 HydrophobicContact CG1-CZ2 3.87Å |
| 51 | D | 85.1 | Confident | 84.6 | Confident | 51 Ų | 51 | 95.2 Ų | 95.2 | 27% | 0.273 | 45% | 0.449 | S | S | . | . | trans | -101.4 | 94 | 179.5 | -179.2 | 2.4 | 0 | 0 | 0 | 110.4 | C49 K53 N54 N55 | C49-D51 PolarHBondContact SG-O 3Å; D51-K53 VanDerWaalsContact C-N 3.33Å; D51-K53 PolarHBondContact OD1-N 2.93Å; D51-N54 PolarHBondContact OD1-N 3.39Å; D51-N54 WeakPolarHBondContact OD2-CB 3.37Å; D51-N54 PolarHBondContact OD2-ND2 3.48Å; D51-N55 CarbonylContact O-C 3.27Å; D51-N55 VanDerWaalsContact O-C 3.27Å | ||
| 52 | R | 83.6 | Confident | 84.1 | Confident | 207 Ų | 207 | 95.5 Ų | 95.5 | 78% | 0.781 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -9.4 | 179.7 | -71.1 | 178.7 | 165.8 | 173.6 | -5.3 | 114.4 | ||
| 53 | K | 84.3 | Confident | 83.7 | Confident | 193 Ų | 193 | 96.6 Ų | 96.6 | 84% | 0.839 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | -48.6 | -169.7 | -72.6 | -171.8 | 177.7 | -175.2 | 0 | 112.9 | D51 | D51-K53 VanDerWaalsContact C-N 3.33Å; D51-K53 PolarHBondContact OD1-N 2.93Å |
| 54 | N | 83.9 | Confident | 83.5 | Confident | 142 Ų | 142 | 93.5 Ų | 93.5 | 76% | 0.759 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -33.4 | -175 | -51.1 | -62.7 | 0 | 0 | 0 | 112.3 | D51 | D51-N54 PolarHBondContact OD1-N 3.39Å; D51-N54 WeakPolarHBondContact OD2-CB 3.37Å; D51-N54 PolarHBondContact OD2-ND2 3.48Å |
| 55 | N | 79.9 | Confident | 83.5 | Confident | 29 Ų | 29 | 88.9 Ų | 88.9 | 16% | 0.155 | 43% | 0.43 | C | S | . | . | trans | -147.4 | 83.7 | 174.1 | -178 | 21.9 | 0 | 0 | 0 | 111.2 | D51 E57 R61 | D51-N55 CarbonylContact O-C 3.27Å; D51-N55 VanDerWaalsContact O-C 3.27Å; N55-E57 PolarHBondContact ND2-O 3.21Å; N55-E57 PolarHBondContact O-N 3.1Å; N55-E57 VanDerWaalsContact O-N 3.14Å; N55-E57 PolarHBondContact OD1-N 3.27Å; N55-E57 PolarHBondContact OD1-O 3.34Å; N55-R61 WeakPolarHBondContact ND2-CG 3.36Å; N55-R61 PolarHBondContact ND2-NE 3.42Å; N55-R61 PolarHBondContact O-NH2 3.27Å; N55-R61 VanDerWaalsContact O-NH2 3.13Å | ||
| 56 | P | 82.6 | Confident | 83.5 | Confident | 77 Ų | 77 | 92.3 Ų | 92.3 | 50% | 0.5 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -65.7 | -9.6 | 179.7 | 27.7 | -34.3 | 0 | 0 | 0 | 113.7 | P58 | P56-P58 WeakPolarHBondContact O-CD 3.39Š|
| 57 | E | 85.4 | Confident | 83.6 | Confident | 88 Ų | 88 | 96 Ų | 96 | 41% | 0.411 | 46% | 0.463 | S | S | . | . | trans | -115 | 89.6 | 180 | -68.9 | -169.1 | 153.7 | 0 | 0 | 109.8 | N55 W59 N60 | N55-E57 PolarHBondContact ND2-O 3.21Å; N55-E57 PolarHBondContact O-N 3.1Å; N55-E57 VanDerWaalsContact O-N 3.14Å; N55-E57 PolarHBondContact OD1-N 3.27Å; N55-E57 PolarHBondContact OD1-O 3.34Å; E57-W59 HydrophobicContact CB-CD2 4.28Å; E57-W59 HydrophobicContact CB-CH2 4.38Å; E57-W59 HydrophobicContact CB-CZ2 3.69Å; E57-W59 HydrophobicContact CG-CH2 4.22Å; E57-W59 HydrophobicContact CG-CZ2 3.52Å; E57-W59 PolarHBondContact O-N 3.16Å; E57-N60 VanDerWaalsContact CB-ND2 3.35Å; E57-N60 WeakPolarHBondContact CB-ND2 3.39Å; E57-N60 WeakPolarHBondContact O-CB 3.27Å; E57-N60 PolarHBondContact O-N 2.91Å; E57-N60 PolarHBondContact OE2-ND2 3.09Å | ||
| 58 | P | 82.1 | Confident | 83.6 | Confident | 13 Ų | 13 | 94 Ų | 94 | 8% | 0.084 | 45% | 0.447 | C | S | . | . | G | 310 helix | trans | -59.7 | -26.7 | -169.7 | -24.3 | 34.6 | 0 | 0 | 0 | 113.9 | P46 C49 P56 N60 R61 | P46-P58 WeakPolarHBondContact O-CB 3.09Å; P46-P58 WeakPolarHBondContact O-CG 3.37Å; C49-P58 HydrophobicContact CB-CG 3.68Å; P56-P58 WeakPolarHBondContact O-CD 3.39Å; P58-N60 VanDerWaalsContact C-N 3.26Å; P58-N60 PolarHBondContact O-N 3.3Å; P58-R61 WeakPolarHBondContact O-CG 3.4Å; P58-R61 PolarHBondContact O-N 2.9Å |
| 59 | W | 82.1 | Confident | 83.6 | Confident | 137 Ų | 137 | 96.1 Ų | 96.1 | 52% | 0.519 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -66.7 | -20.1 | 176.9 | 52.5 | 79.8 | 0 | 0 | 0 | 114 | P46 E57 R61 M62 | P46-W59 HydrophobicContact CB-CB 4.41Å; E57-W59 HydrophobicContact CB-CD2 4.28Å; E57-W59 HydrophobicContact CB-CH2 4.38Å; E57-W59 HydrophobicContact CB-CZ2 3.69Å; E57-W59 HydrophobicContact CG-CH2 4.22Å; E57-W59 HydrophobicContact CG-CZ2 3.52Å; E57-W59 PolarHBondContact O-N 3.16Å; W59-R61 PolarHBondContact O-N 2.91Å; W59-M62 PolarHBondContact O-N 3.42Å |
| 60 | N | 82.2 | Confident | 83.6 | Confident | 100 Ų | 100 | 101.3 Ų | 101.3 | 54% | 0.535 | 47% | 0.469 | S | S | . | . | G | 310 helix | trans | -64 | -15.5 | 178.6 | -70 | -11.4 | 0 | 0 | 0 | 113.2 | E57 P58 | E57-N60 VanDerWaalsContact CB-ND2 3.35Å; E57-N60 WeakPolarHBondContact CB-ND2 3.39Å; E57-N60 WeakPolarHBondContact O-CB 3.27Å; E57-N60 PolarHBondContact O-N 2.91Å; E57-N60 PolarHBondContact OE2-ND2 3.09Å; P58-N60 VanDerWaalsContact C-N 3.26Å; P58-N60 PolarHBondContact O-N 3.3Å |
| 61 | R | 79.9 | Confident | 83.6 | Confident | 142 Ų | 142 | 98.5 Ų | 98.5 | 54% | 0.536 | 47% | 0.467 | S | S | . | . | G | 310 helix | trans | -91.9 | -10.7 | 178.4 | -35.4 | 178 | -160.5 | -165.1 | -0.6 | 112.8 | N55 P58 W59 | N55-R61 WeakPolarHBondContact ND2-CG 3.36Å; N55-R61 PolarHBondContact ND2-NE 3.42Å; N55-R61 PolarHBondContact O-NH2 3.27Å; N55-R61 VanDerWaalsContact O-NH2 3.13Å; P58-R61 WeakPolarHBondContact O-CG 3.4Å; P58-R61 PolarHBondContact O-N 2.9Å; W59-R61 PolarHBondContact O-N 2.91Å |
| 62 | M | 80.4 | Confident | 83.7 | Confident | 67 Ų | 67 | 97.5 Ų | 97.5 | 33% | 0.33 | 47% | 0.466 | S | S | . | . | trans | -89.1 | 122.6 | -170.8 | -69.3 | -172.9 | -178.4 | 0 | 0 | 110.8 | P46 W59 | P46-M62 HydrophobicContact CB-CE 3.45Å; P46-M62 VanDerWaalsContact CB-CE 3.45Å; P46-M62 HydrophobicContact CB-SD 3.8Å; P46-M62 HydrophobicContact CG-CE 3.78Å; P46-M62 HydrophobicContact CG-SD 3.92Å; W59-M62 PolarHBondContact O-N 3.42Å | ||
| 63 | S | 82 | Confident | 83.8 | Confident | 53 Ų | 53 | 94 Ų | 94 | 37% | 0.371 | 47% | 0.468 | S | S | . | . | trans | -75.8 | 150.2 | 167.1 | -179 | 0 | 0 | 0 | 0 | 110.1 | N65 D66 | S63-N65 PolarHBondContact O-N 2.98Å; S63-N65 PolarHBondContact OG-N 3.49Å; S63-D66 WeakPolarHBondContact CB-OD2 3.08Å; S63-D66 PolarHBondContact N-OD2 2.74Å; S63-D66 WeakPolarHBondContact O-CB 3.33Å; S63-D66 PolarHBondContact O-N 3.07Å | ||
| 64 | P | 82.9 | Confident | 83.9 | Confident | 50 Ų | 50 | 90.5 Ų | 90.5 | 33% | 0.325 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -27.1 | 170.7 | -25.9 | 34.1 | 0 | 0 | 0 | 113.7 | D66 L80 K82 | P64-D66 VanDerWaalsContact C-N 3.31Å; P64-L80 HydrophobicContact CB-CB 4.29Å; P64-L80 VanDerWaalsContact O-CD1 3.27Å; P64-L80 WeakPolarHBondContact O-CD1 3.09Å; P64-K82 HydrophobicContact CG-CB 3.79Å; P64-K82 HydrophobicContact CG-CG 3.88Å |
| 65 | N | 84.3 | Confident | 84 | Confident | 79 Ų | 79 | 86.8 Ų | 86.8 | 42% | 0.422 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -8.1 | 179 | -64.3 | -15.1 | 0 | 0 | 0 | 113.3 | S63 Q67 Y77 L80 | S63-N65 PolarHBondContact O-N 2.98Å; S63-N65 PolarHBondContact OG-N 3.49Å; N65-Q67 PolarHBondContact O-N 3.01Å; N65-Y77 WeakPolarHBondContact CA-O 3.49Å; N65-Y77 PolarHBondContact OD1-O 3.14Å; N65-L80 PolarHBondContact OD1-O 2.52Å |
| 66 | D | 85.6 | Confident | 84.4 | Confident | 82 Ų | 82 | 88.8 Ų | 88.8 | 44% | 0.439 | 46% | 0.461 | S | S | . | . | trans | -80.1 | 112.3 | -178.2 | -68.6 | -27.5 | 0 | 0 | 0 | 110.6 | S63 P64 Y68 | S63-D66 WeakPolarHBondContact CB-OD2 3.08Å; S63-D66 PolarHBondContact N-OD2 2.74Å; S63-D66 WeakPolarHBondContact O-CB 3.33Å; S63-D66 PolarHBondContact O-N 3.07Å; P64-D66 VanDerWaalsContact C-N 3.31Å; D66-Y68 PolarHBondContact O-N 2.84Å; D66-Y68 VanDerWaalsContact O-N 3.09Å | ||
| 67 | Q | 86.1 | Confident | 84.6 | Confident | 93 Ų | 93 | 86.3 Ų | 86.3 | 44% | 0.435 | 44% | 0.441 | S | S | . | . | trans | -79.7 | 92.5 | 172.6 | -174.3 | -178.2 | -53.2 | 0 | 0 | 110.2 | N65 K69 A72 Y77 | N65-Q67 PolarHBondContact O-N 3.01Å; Q67-K69 VanDerWaalsContact C-N 3.3Å; Q67-K69 WeakPolarHBondContact CG-O 3.35Å; Q67-K69 PolarHBondContact NE2-O 2.87Å; Q67-A72 HydrophobicContact CG-CB 4.29Å; Q67-Y77 HydrophobicContact CB-CD1 4.15Å; Q67-Y77 HydrophobicContact CB-CD2 3.81Å; Q67-Y77 HydrophobicContact CB-CE1 4.35Å; Q67-Y77 HydrophobicContact CB-CE2 4.06Å; Q67-Y77 HydrophobicContact CB-CG 3.87Å; Q67-Y77 HydrophobicContact CG-CD2 3.76Å; Q67-Y77 HydrophobicContact CG-CE2 3.59Å; Q67-Y77 HydrophobicContact CG-CG 4.32Å | ||
| 68 | Y | 84.8 | Confident | 84.6 | Confident | 93 Ų | 93 | 91 Ų | 91 | 37% | 0.365 | 46% | 0.461 | S | S | . | . | trans | -77.9 | -15.1 | 172.6 | 84.3 | -84.1 | 0 | 0 | 0 | 112.9 | R40 P46 D66 | R40-Y68 PolarHBondContact NH1-O 3.05Å; R40-Y68 PolarHBondContact NH2-O 3.46Å; P46-Y68 HydrophobicContact CG-CD2 4.27Å; P46-Y68 HydrophobicContact CG-CE2 4.36Å; D66-Y68 PolarHBondContact O-N 2.84Å; D66-Y68 VanDerWaalsContact O-N 3.09Å | ||
| 69 | K | 86.4 | Confident | 84.8 | Confident | 98 Ų | 98 | 98 Ų | 98 | 43% | 0.426 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -78.1 | 146.3 | 177.1 | -66 | -177.5 | -176.9 | 174.3 | 0 | 111.2 | R40 Q67 L71 | R40-K69 PolarHBondContact NH2-O 3.36Å; Q67-K69 VanDerWaalsContact C-N 3.3Å; Q67-K69 WeakPolarHBondContact CG-O 3.35Å; Q67-K69 PolarHBondContact NE2-O 2.87Å; K69-L71 VanDerWaalsContact C-N 3.27Å; K69-L71 PolarHBondContact O-N 2.97Å |
| 70 | F | 85.5 | Confident | 85 | Confident | 150 Ų | 150 | 95 Ų | 95 | 66% | 0.658 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -64 | -38.1 | -177.9 | -177.2 | -101.7 | 0 | 0 | 0 | 111.5 | Y37 R40 | Y37-F70 HydrophobicContact CE2-CB 4.39Å; R40-F70 VanDerWaalsContact NH2-CA 3.31Å |
| 71 | L | 86.9 | Confident | 85 | Confident | 125 Ų | 125 | 99.2 Ų | 99.2 | 65% | 0.654 | 50% | 0.497 | S | S | * | . | trans | -136.6 | 135.1 | 175.2 | -174.1 | 66.9 | 0 | 0 | 0 | 109.4 | K69 V73 | K69-L71 VanDerWaalsContact C-N 3.27Å; K69-L71 PolarHBondContact O-N 2.97Å; L71-V73 HydrophobicContact CD2-CG2 3.97Å; L71-V73 HydrophobicContact CG-CG2 4.16Å | ||
| 72 | A | 86.4 | Confident | 85 | Confident | 29 Ų | 29 | 97.4 Ų | 97.4 | 24% | 0.24 | 49% | 0.493 | C | S | . | . | trans | -105.5 | 108.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | Q67 Y77 | Q67-A72 HydrophobicContact CG-CB 4.29Å; A72-Y77 HydrophobicContact CB-CD2 3.9Å; A72-Y77 HydrophobicContact CB-CE2 3.56Å | ||
| 73 | V | 85.9 | Confident | 85.1 | Confident | 135 Ų | 135 | 101.7 Ų | 101.7 | 82% | 0.818 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -85.8 | -39.4 | -178 | -179.3 | 0 | 0 | 0 | 0 | 111.2 | L71 | L71-V73 HydrophobicContact CD2-CG2 3.97Å; L71-V73 HydrophobicContact CG-CG2 4.16Å |
| 74 | S | 86.1 | Confident | 84.8 | Confident | 119 Ų | 119 | 108 Ų | 108 | 83% | 0.832 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -119.1 | -16.1 | -172.2 | -177 | 0 | 0 | 0 | 0 | 114 | ||
| 75 | T | 86.6 | Confident | 84.5 | Confident | 63 Ų | 63 | 110.4 Ų | 110.4 | 39% | 0.387 | 55% | 0.548 | S | S | . | . | trans | -104.3 | 118.4 | -169.6 | -51.3 | 0 | 0 | 0 | 0 | 110.4 | Y77 L80 | T75-Y77 HydrophobicContact CG2-CD2 4.11Å; T75-Y77 HydrophobicContact CG2-CE2 3.93Å; T75-Y77 HydrophobicContact CG2-CG 4.49Å; T75-Y77 WeakPolarHBondContact O-CD2 3.33Å; T75-Y77 PolarHBondContact O-N 3.28Å; T75-L80 HydrophobicContact CG2-CD1 3.89Å; T75-L80 HydrophobicContact CG2-CG 4.48Å | ||
| 76 | D | 88.3 | Confident | 84 | Confident | 72 Ų | 72 | 113 Ų | 113 | 39% | 0.385 | 56% | 0.562 | S | S | . | * | trans | -87.3 | 92.4 | 171.4 | -171.1 | -9.4 | 0 | 0 | 0 | 109.8 | K78 K79 | D76-K78 PolarHBondContact O-N 2.91Å; D76-K78 VanDerWaalsContact O-N 3.16Å; D76-K78 PolarHBondContact OD1-N 3.04Å; D76-K79 HydrophobicContact CB-CD 4.37Å; D76-K79 PolarHBondContact O-N 3.07Å; D76-K79 VanDerWaalsContact O-N 3.1Å; D76-K79 WeakPolarHBondContact OD2-CD 3.35Å; D76-K79 WeakPolarHBondContact OD2-CE 3.42Å; D76-K79 IonicContact OD2-NZ 2.74Å; D76-K79 PolarHBondContact OD2-NZ 3.29Å | ||
| 77 | Y | 85.9 | Confident | 82.9 | Confident | 25 Ų | 25 | 121.4 Ų | 121.4 | 10% | 0.098 | 60% | 0.595 | C | S | . | * | G | 310 helix | trans | -60.3 | -26 | -176.2 | -76.3 | -94.8 | 0 | 0 | 0 | 113.2 | N65 Q67 A72 T75 K79 L80 | N65-Y77 WeakPolarHBondContact CA-O 3.49Å; N65-Y77 PolarHBondContact OD1-O 3.14Å; Q67-Y77 HydrophobicContact CB-CD1 4.15Å; Q67-Y77 HydrophobicContact CB-CD2 3.81Å; Q67-Y77 HydrophobicContact CB-CE1 4.35Å; Q67-Y77 HydrophobicContact CB-CE2 4.06Å; Q67-Y77 HydrophobicContact CB-CG 3.87Å; Q67-Y77 HydrophobicContact CG-CD2 3.76Å; Q67-Y77 HydrophobicContact CG-CE2 3.59Å; Q67-Y77 HydrophobicContact CG-CG 4.32Å; A72-Y77 HydrophobicContact CB-CD2 3.9Å; A72-Y77 HydrophobicContact CB-CE2 3.56Å; T75-Y77 HydrophobicContact CG2-CD2 4.11Å; T75-Y77 HydrophobicContact CG2-CE2 3.93Å; T75-Y77 HydrophobicContact CG2-CG 4.49Å; T75-Y77 WeakPolarHBondContact O-CD2 3.33Å; T75-Y77 PolarHBondContact O-N 3.28Å; Y77-K79 PolarHBondContact O-N 3.13Å; Y77-L80 HydrophobicContact CD1-CD1 3.62Å; Y77-L80 HydrophobicContact CE1-CD1 4.14Å; Y77-L80 HydrophobicContact CG-CD1 4.08Å; Y77-L80 PolarHBondContact O-N 3.04Å |
| 78 | K | 85.4 | Confident | 82.7 | Confident | 187 Ų | 187 | 122.9 Ų | 122.9 | 81% | 0.813 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -70.2 | -19.1 | -180 | -62.6 | -178.4 | 179 | -177.8 | 0 | 113.2 | D76 | D76-K78 PolarHBondContact O-N 2.91Å; D76-K78 VanDerWaalsContact O-N 3.16Å; D76-K78 PolarHBondContact OD1-N 3.04Å |
| 79 | K | 87.8 | Confident | 82.6 | Confident | 160 Ų | 160 | 124.4 Ų | 124.4 | 70% | 0.696 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -102.7 | -2.5 | -178.4 | -64.5 | 179.5 | -175 | 141.4 | 0 | 112.7 | D76 Y77 K81 | D76-K79 HydrophobicContact CB-CD 4.37Å; D76-K79 PolarHBondContact O-N 3.07Å; D76-K79 VanDerWaalsContact O-N 3.1Å; D76-K79 WeakPolarHBondContact OD2-CD 3.35Å; D76-K79 WeakPolarHBondContact OD2-CE 3.42Å; D76-K79 IonicContact OD2-NZ 2.74Å; D76-K79 PolarHBondContact OD2-NZ 3.29Å; Y77-K79 PolarHBondContact O-N 3.13Å; K79-K81 PolarHBondContact O-N 2.88Å |
| 80 | L | 86 | Confident | 82.4 | Confident | 72 Ų | 72 | 125.9 Ų | 125.9 | 38% | 0.377 | 63% | 0.626 | S | S | . | * | trans | -68.4 | 127.4 | 178.3 | -76.2 | 168.1 | 0 | 0 | 0 | 109.4 | P64 N65 T75 Y77 | P64-L80 HydrophobicContact CB-CB 4.29Å; P64-L80 VanDerWaalsContact O-CD1 3.27Å; P64-L80 WeakPolarHBondContact O-CD1 3.09Å; N65-L80 PolarHBondContact OD1-O 2.52Å; T75-L80 HydrophobicContact CG2-CD1 3.89Å; T75-L80 HydrophobicContact CG2-CG 4.48Å; Y77-L80 HydrophobicContact CD1-CD1 3.62Å; Y77-L80 HydrophobicContact CE1-CD1 4.14Å; Y77-L80 HydrophobicContact CG-CD1 4.08Å; Y77-L80 PolarHBondContact O-N 3.04Å | ||
| 81 | K | 82.5 | Confident | 82.2 | Confident | 189 Ų | 189 | 124.5 Ų | 124.5 | 82% | 0.822 | 62% | 0.624 | S | S | * | * | trans | -93.4 | 147.1 | 171.8 | -65.9 | -173.1 | -179.1 | -178.4 | 0 | 109.1 | K79 D83 | K79-K81 PolarHBondContact O-N 2.88Å; K81-D83 PolarHBondContact O-N 3.05Å | ||
| 82 | K | 80.1 | Confident | 82 | Confident | 105 Ų | 105 | 124.4 Ų | 124.4 | 46% | 0.457 | 62% | 0.623 | S | S | . | * | trans | -69.9 | 112.6 | 170.9 | -166.7 | 178.9 | 178.2 | 165.8 | 0 | 108.5 | P64 R84 D86 | P64-K82 HydrophobicContact CG-CB 3.79Å; P64-K82 HydrophobicContact CG-CG 3.88Å; K82-R84 WeakPolarHBondContact CE-O 3.46Å; K82-R84 WeakPolarHBondContact CG-O 3.42Å; K82-D86 IonicContact NZ-OD1 2.52Å; K82-D86 PolarHBondContact NZ-OD1 3.05Å; K82-D86 IonicContact NZ-OD2 3.04Å; K82-D86 PolarHBondContact NZ-OD2 3.27Å | ||
| 83 | D | 81 | Confident | 81.7 | Confident | 157 Ų | 157 | 130.8 Ų | 130.8 | 84% | 0.84 | 65% | 0.648 | S | S | * | * | trans | -85 | -18.7 | -178.2 | -168.1 | 47.7 | 0 | 0 | 0 | 112.6 | K81 | K81-D83 PolarHBondContact O-N 3.05Š| ||
| 84 | R | 76.6 | Confident | 81.4 | Confident | 186 Ų | 186 | 130.5 Ų | 130.5 | 70% | 0.702 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -116.1 | 147.2 | -173.2 | -58.3 | -172.5 | -177.2 | -173.6 | 0.4 | 111.9 | K82 | K82-R84 WeakPolarHBondContact CE-O 3.46Å; K82-R84 WeakPolarHBondContact CG-O 3.42Å |
| 85 | P | 76.9 | Confident | 81 | Confident | 99 Ų | 99 | 131.4 Ų | 131.4 | 64% | 0.643 | 62% | 0.621 | S | S | * | * | trans | -61.9 | 157.6 | 174.3 | 6.5 | -4.1 | 0 | 0 | 0 | 112.2 | ||||
| 86 | D | 73 | Confident | 80.5 | Confident | 135 Ų | 135 | 137.1 Ų | 137.1 | 72% | 0.722 | 64% | 0.64 | S | S | * | * | trans | -63.9 | 135 | 166.1 | -74.5 | -77 | 0 | 0 | 0 | 110.1 | K82 | K82-D86 IonicContact NZ-OD1 2.52Å; K82-D86 PolarHBondContact NZ-OD1 3.05Å; K82-D86 IonicContact NZ-OD2 3.04Å; K82-D86 PolarHBondContact NZ-OD2 3.27Å | ||
| 87 | F | 62.8 | Low | 79.8 | Confident | 258 Ų | 258 | 143 Ų | 143 | 100% | 1.132 | 66% | 0.664 | S | S | * | * | trans | -103.6 | 0 | 174.3 | -71.6 | -77.7 | 0 | 0 | 0 | 110.3 |
Retrieved 87 of 87 residues in 66.9 ms
(Link to these results)