| 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 | 48.4 | Very low | 78.5 | Confident | 249 Ų | 249 | 102.3 Ų | 102.3 | 100% | 1.227 | 59% | 0.593 | S | S | * | * | 0 | 132.8 | 0 | -79.8 | 179.9 | -171.8 | 0 | 0 | 108 | |||||
| 2 | I | 57.4 | Low | 80.1 | Confident | 110 Ų | 110 | 101.8 Ų | 101.8 | 56% | 0.564 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 123 | 177.1 | -62.7 | 176.1 | 0 | 0 | 0 | 107.3 | F6 | I2-F6 HydrophobicContact CG2-CB 3.68Å; I2-F6 HydrophobicContact CG2-CD1 4.12Å; I2-F6 HydrophobicContact CG2-CD2 3.19Å; I2-F6 HydrophobicContact CG2-CE2 3.66Å; I2-F6 HydrophobicContact CG2-CG 3.41Å; I2-F6 VanDerWaalsContact CG2-CG 3.41Å; I2-F6 HydrophobicContact CG2-CZ 4.33Å |
| 3 | G | 61 | Low | 81.3 | Confident | 50 Ų | 50 | 99.9 Ų | 99.9 | 52% | 0.515 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -73.8 | 162.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 4 | S | 71.4 | Confident | 82.4 | Confident | 133 Ų | 133 | 92.9 Ų | 92.9 | 93% | 0.93 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 135.3 | 174.4 | 42.5 | 0 | 0 | 0 | 0 | 111.1 | ||
| 5 | G | 75.9 | Confident | 83.3 | Confident | 66 Ų | 66 | 93.3 Ų | 93.3 | 68% | 0.68 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 104 | 16.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 6 | F | 83.5 | Confident | 84.1 | Confident | 44 Ų | 44 | 95.1 Ų | 95.1 | 19% | 0.193 | 55% | 0.548 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 132.8 | 177.2 | -129.4 | -101.4 | 0 | 0 | 0 | 112.4 | I2 N48 A49 V50 | I2-F6 HydrophobicContact CG2-CB 3.68Å; I2-F6 HydrophobicContact CG2-CD1 4.12Å; I2-F6 HydrophobicContact CG2-CD2 3.19Å; I2-F6 HydrophobicContact CG2-CE2 3.66Å; I2-F6 HydrophobicContact CG2-CG 3.41Å; I2-F6 VanDerWaalsContact CG2-CG 3.41Å; I2-F6 HydrophobicContact CG2-CZ 4.33Å; F6-N48 CarbonylContact C-O 3.54Å; F6-N48 VanDerWaalsContact CA-O 3.25Å; F6-N48 WeakPolarHBondContact CA-O 3.33Å; F6-N48 VanDerWaalsContact CD1-C 3.49Å; F6-N48 WeakPolarHBondContact CD1-O 3.48Å; F6-N48 VanDerWaalsContact CD2-C 3.49Å; F6-N48 VanDerWaalsContact CD2-CA 3.47Å; F6-N48 HydrophobicContact CD2-CB 3.6Å; F6-N48 WeakPolarHBondContact CD2-O 3.4Å; F6-N48 VanDerWaalsContact CE1-C 3.43Å; F6-N48 VanDerWaalsContact CE2-C 3.5Å; F6-N48 HydrophobicContact CE2-CB 3.82Å; F6-N48 WeakPolarHBondContact CE2-OD1 3.45Å; F6-N48 HydrophobicContact CG-CB 4.32Å; F6-N48 WeakPolarHBondContact CG-O 3.5Å; F6-N48 VanDerWaalsContact CZ-C 3.45Å; F6-A49 WeakPolarHBondContact CE1-O 3.21Å; F6-V50 HydrophobicContact CD1-CG2 3.7Å; F6-V50 HydrophobicContact CE1-CB 4.28Å; F6-V50 HydrophobicContact CE1-CG2 3.34Å; F6-V50 HydrophobicContact CZ-CG2 4.46Å |
| 7 | T | 89.2 | Confident | 84.8 | Confident | 85 Ų | 85 | 91.5 Ų | 91.5 | 52% | 0.521 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 122.9 | 175.3 | -59.3 | 0 | 0 | 0 | 0 | 110.2 | R9 N48 A49 V50 | T7-R9 HydrophobicContact CG2-CG 4.31Å; T7-N48 PolarHBondContact N-O 2.97Å; T7-A49 CarbonylContact O-C 3.57Å; T7-A49 WeakPolarHBondContact O-CA 3.37Å; T7-V50 PolarHBondContact O-N 2.93Å |
| 8 | V | 92.3 | Very high | 85.3 | Confident | 91 Ų | 91 | 91 Ų | 91 | 55% | 0.552 | 52% | 0.524 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 119 | 173.5 | -174.6 | 0 | 0 | 0 | 0 | 108.9 | V10 V50 V52 | V8-V10 HydrophobicContact CG1-CG2 3.98Å; V8-V50 CarbonylContact C-O 3.42Å; V8-V50 WeakPolarHBondContact CA-O 3.5Å; V8-V52 HydrophobicContact CG1-CG2 3.98Å |
| 9 | R | 93.1 | Very high | 85.7 | Confident | 156 Ų | 156 | 90.6 Ų | 90.6 | 59% | 0.589 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 121.3 | 174.3 | -63.3 | -177.9 | 65.9 | -162.9 | -2.5 | 108.2 | T7 V50 E51 V52 | T7-R9 HydrophobicContact CG2-CG 4.31Å; R9-V50 PolarHBondContact N-O 2.88Å; R9-E51 CarbonylContact O-C 3.44Å; R9-E51 WeakPolarHBondContact O-CA 3.23Å; R9-V52 PolarHBondContact O-N 3.12Å |
| 10 | V | 95.8 | Very high | 86.1 | Confident | 68 Ų | 68 | 89.7 Ų | 89.7 | 41% | 0.412 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 126.4 | -179.4 | -175.7 | 0 | 0 | 0 | 0 | 108.8 | V8 V14 I15 V52 | V8-V10 HydrophobicContact CG1-CG2 3.98Å; V10-V14 HydrophobicContact CG1-CB 3.85Å; V10-V14 HydrophobicContact CG1-CG1 4.03Å; V10-V14 HydrophobicContact CG1-CG2 4.43Å; V10-I15 HydrophobicContact CG1-CG1 4.12Å; V10-V52 HydrophobicContact CG1-CB 4.49Å; V10-V52 HydrophobicContact CG2-CB 4.37Å; V10-V52 HydrophobicContact CG2-CG2 4.37Å |
| 11 | H | 95.8 | Very high | 86.2 | Confident | 73 Ų | 73 | 86.8 Ų | 86.8 | 34% | 0.338 | 50% | 0.501 | S | S | . | . | trans | -69.2 | 137.1 | 172.9 | -82 | -120.9 | 0 | 0 | 0 | 110.1 | V13 V14 E51 V52 | H11-V13 HydrophobicContact CB-CG1 4.01Å; H11-V13 PolarHBondContact O-N 3.3Å; H11-V13 VanDerWaalsContact O-N 3.07Å; H11-V14 HydrophobicContact CB-CG2 4.29Å; H11-V14 VanDerWaalsContact O-CB 3.29Å; H11-V14 WeakPolarHBondContact O-CB 3.46Å; H11-V14 PolarHBondContact O-N 3.46Å; H11-E51 IonicContact CD2-OE1 2.71Å; H11-E51 IonicContact CE1-OE1 3.84Å; H11-E51 IonicContact NE2-OE1 2.83Å; H11-E51 PolarHBondContact NE2-OE1 2.9Å; H11-V52 PolarHBondContact CD2-O 3.33Å; H11-V52 PolarHBondContact N-O 2.99Å | ||
| 12 | P | 97 | Very high | 88.2 | Confident | 97 Ų | 97 | 79.4 Ų | 79.4 | 63% | 0.63 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -55.5 | -31.3 | -177.6 | -26.9 | 34 | 0 | 0 | 0 | 114.2 | V14 I15 L16 | P12-V14 PolarHBondContact O-N 3.16Å; P12-I15 PolarHBondContact O-N 2.8Å; P12-I15 VanDerWaalsContact O-N 3.14Å; P12-L16 PolarHBondContact O-N 2.96Å; P12-L16 VanDerWaalsContact O-N 3.12Å |
| 13 | V | 96.2 | Very high | 89.6 | Confident | 77 Ų | 77 | 79.8 Ų | 79.8 | 47% | 0.467 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -56.5 | -35.4 | 176 | 70.4 | 0 | 0 | 0 | 0 | 112.2 | H11 L16 S17 | H11-V13 HydrophobicContact CB-CG1 4.01Å; H11-V13 PolarHBondContact O-N 3.3Å; H11-V13 VanDerWaalsContact O-N 3.07Å; V13-L16 PolarHBondContact O-N 3.2Å; V13-S17 WeakPolarHBondContact O-CB 3.25Å; V13-S17 PolarHBondContact O-N 3.34Å; V13-S17 PolarHBondContact O-OG 3.21Å; V13-S17 VanDerWaalsContact O-OG 3.06Å |
| 14 | V | 97.1 | Very high | 90.7 | Very high | 2 Ų | 2 | 84.7 Ų | 84.7 | 1% | 0.012 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -65 | -44 | 179.3 | 179 | 0 | 0 | 0 | 0 | 110.4 | V10 H11 P12 L16 S17 I18 L39 V52 C55 | V10-V14 HydrophobicContact CG1-CB 3.85Å; V10-V14 HydrophobicContact CG1-CG1 4.03Å; V10-V14 HydrophobicContact CG1-CG2 4.43Å; H11-V14 HydrophobicContact CB-CG2 4.29Å; H11-V14 VanDerWaalsContact O-CB 3.29Å; H11-V14 WeakPolarHBondContact O-CB 3.46Å; H11-V14 PolarHBondContact O-N 3.46Å; P12-V14 PolarHBondContact O-N 3.16Å; V14-L16 VanDerWaalsContact C-N 3.34Å; V14-L16 PolarHBondContact O-N 3.35Å; V14-S17 PolarHBondContact O-N 3.12Å; V14-I18 HydrophobicContact CG1-CD1 4.11Å; V14-I18 VanDerWaalsContact O-CG1 3.29Å; V14-I18 WeakPolarHBondContact O-CG1 3.39Å; V14-I18 PolarHBondContact O-N 3.47Å; V14-L39 HydrophobicContact CG1-CD2 3.95Å; V14-V52 HydrophobicContact CG1-CG1 4.06Å; V14-V52 HydrophobicContact CG2-CG1 4.17Å; V14-C55 HydrophobicContact CG1-CB 3.96Å |
| 15 | I | 96 | Very high | 91 | Very high | 99 Ų | 99 | 80.4 Ų | 80.4 | 51% | 0.508 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 178.2 | -56.6 | 177.7 | 0 | 0 | 0 | 109.7 | V10 P12 S17 I18 V19 | V10-I15 HydrophobicContact CG1-CG1 4.12Å; P12-I15 PolarHBondContact O-N 2.8Å; P12-I15 VanDerWaalsContact O-N 3.14Å; I15-S17 VanDerWaalsContact C-N 3.35Å; I15-S17 PolarHBondContact O-N 3.14Å; I15-I18 PolarHBondContact O-N 2.79Å; I15-V19 WeakPolarHBondContact O-CG2 3.29Å; I15-V19 PolarHBondContact O-N 2.8Å |
| 16 | L | 96.2 | Very high | 90.8 | Very high | 121 Ų | 121 | 81.1 Ų | 81.1 | 63% | 0.634 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.2 | -41.1 | 177 | -66.2 | 172.9 | 0 | 0 | 0 | 112 | P12 V13 V14 I18 V19 D20 | P12-L16 PolarHBondContact O-N 2.96Å; P12-L16 VanDerWaalsContact O-N 3.12Å; V13-L16 PolarHBondContact O-N 3.2Å; V14-L16 VanDerWaalsContact C-N 3.34Å; V14-L16 PolarHBondContact O-N 3.35Å; L16-I18 PolarHBondContact O-N 3.48Å; L16-V19 PolarHBondContact O-N 2.87Å; L16-D20 VanDerWaalsContact O-CB 3.31Å; L16-D20 WeakPolarHBondContact O-CB 3.17Å; L16-D20 PolarHBondContact O-N 3.31Å |
| 17 | S | 95.4 | Very high | 90 | Very high | 35 Ų | 35 | 83.9 Ų | 83.9 | 25% | 0.245 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -65.7 | -35.1 | 176.3 | -67.7 | 0 | 0 | 0 | 0 | 113.1 | V13 V14 I15 S21 C55 | V13-S17 WeakPolarHBondContact O-CB 3.25Å; V13-S17 PolarHBondContact O-N 3.34Å; V13-S17 PolarHBondContact O-OG 3.21Å; V13-S17 VanDerWaalsContact O-OG 3.06Å; V14-S17 PolarHBondContact O-N 3.12Å; I15-S17 VanDerWaalsContact C-N 3.35Å; I15-S17 PolarHBondContact O-N 3.14Å; S17-S21 VanDerWaalsContact O-CB 3.27Å; S17-S21 WeakPolarHBondContact O-CB 3.49Å; S17-S21 PolarHBondContact O-N 3.25Å; S17-S21 PolarHBondContact O-OG 2.96Å; S17-C55 VanDerWaalsContact CB-SG 3.56Å |
| 18 | I | 94.2 | Very high | 88.9 | Confident | 82 Ų | 82 | 89.3 Ų | 89.3 | 42% | 0.421 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.3 | -48.2 | 174 | -69.2 | 164.6 | 0 | 0 | 0 | 110.2 | V14 I15 L16 D20 S21 Y22 L39 | V14-I18 HydrophobicContact CG1-CD1 4.11Å; V14-I18 VanDerWaalsContact O-CG1 3.29Å; V14-I18 WeakPolarHBondContact O-CG1 3.39Å; V14-I18 PolarHBondContact O-N 3.47Å; I15-I18 PolarHBondContact O-N 2.79Å; L16-I18 PolarHBondContact O-N 3.48Å; I18-D20 PolarHBondContact O-N 3.06Å; I18-S21 PolarHBondContact O-N 2.93Å; I18-Y22 WeakPolarHBondContact O-CB 3.46Å; I18-Y22 PolarHBondContact O-N 3.07Å; I18-L39 HydrophobicContact CD1-CD2 4.31Å |
| 19 | V | 93.2 | Very high | 87.1 | Confident | 83 Ų | 83 | 88.4 Ų | 88.4 | 50% | 0.503 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.7 | -45.7 | 179 | 173.8 | 0 | 0 | 0 | 0 | 111 | I15 L16 S21 Y22 K23 | I15-V19 WeakPolarHBondContact O-CG2 3.29Å; I15-V19 PolarHBondContact O-N 2.8Å; L16-V19 PolarHBondContact O-N 2.87Å; V19-S21 PolarHBondContact O-N 2.89Å; V19-Y22 WeakPolarHBondContact O-CB 3.44Å; V19-Y22 PolarHBondContact O-N 2.79Å; V19-K23 HydrophobicContact CG1-CG 4.49Å; V19-K23 WeakPolarHBondContact O-CG 3.47Å; V19-K23 PolarHBondContact O-N 3.32Å |
| 20 | D | 92.1 | Very high | 85.5 | Confident | 72 Ų | 72 | 82.8 Ų | 82.8 | 39% | 0.385 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61 | -43.5 | 176.1 | 170.8 | 75.1 | 0 | 0 | 0 | 111.9 | L16 I18 Y22 K23 R24 | L16-D20 VanDerWaalsContact O-CB 3.31Å; L16-D20 WeakPolarHBondContact O-CB 3.17Å; L16-D20 PolarHBondContact O-N 3.31Å; I18-D20 PolarHBondContact O-N 3.06Å; D20-Y22 VanDerWaalsContact C-N 3.31Å; D20-Y22 PolarHBondContact O-N 3.04Å; D20-K23 PolarHBondContact O-N 3.25Å; D20-R24 WeakPolarHBondContact O-CB 3Å; D20-R24 WeakPolarHBondContact O-CG 3.4Å; D20-R24 PolarHBondContact O-N 3.36Å; D20-R24 IonicContact OD1-NE 3.99Å; D20-R24 IonicContact OD2-CZ 2.71Å; D20-R24 IonicContact OD2-NE 3.68Å; D20-R24 PolarHBondContact OD2-NE 2.92Å; D20-R24 IonicContact OD2-NH2 3.81Å; D20-R24 PolarHBondContact OD2-NH2 3.27Å |
| 21 | S | 89.4 | Confident | 83.8 | Confident | 29 Ų | 29 | 83.5 Ų | 83.5 | 20% | 0.203 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -62.4 | -38.6 | 176.2 | -62.6 | 0 | 0 | 0 | 0 | 112.3 | S17 I18 V19 R25 | S17-S21 VanDerWaalsContact O-CB 3.27Å; S17-S21 WeakPolarHBondContact O-CB 3.49Å; S17-S21 PolarHBondContact O-N 3.25Å; S17-S21 PolarHBondContact O-OG 2.96Å; I18-S21 PolarHBondContact O-N 2.93Å; V19-S21 PolarHBondContact O-N 2.89Å; S21-R25 PolarHBondContact O-N 2.71Å |
| 22 | Y | 89.1 | Confident | 82.2 | Confident | 94 Ų | 94 | 82.1 Ų | 82.1 | 37% | 0.369 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.2 | -50.6 | 175.3 | -175.8 | -86.5 | 0 | 0 | 0 | 111.8 | I18 V19 D20 R24 R25 E26 N33 A35 | I18-Y22 WeakPolarHBondContact O-CB 3.46Å; I18-Y22 PolarHBondContact O-N 3.07Å; V19-Y22 WeakPolarHBondContact O-CB 3.44Å; V19-Y22 PolarHBondContact O-N 2.79Å; D20-Y22 VanDerWaalsContact C-N 3.31Å; D20-Y22 PolarHBondContact O-N 3.04Å; Y22-R24 VanDerWaalsContact C-N 3.32Å; Y22-R24 PolarHBondContact O-N 3.06Å; Y22-R25 WeakPolarHBondContact O-CA 3.41Å; Y22-R25 WeakPolarHBondContact O-CB 3.4Å; Y22-R25 PolarHBondContact O-N 2.92Å; Y22-E26 PolarHBondContact O-N 2.92Å; Y22-N33 HydrophobicContact CE2-CB 4.47Å; Y22-N33 WeakPolarHBondContact CE2-O 3.47Å; Y22-N33 PolarHBondContact OH-O 2.97Å; Y22-N33 VanDerWaalsContact OH-O 3.07Å; Y22-A35 HydrophobicContact CD2-CB 3.85Å; Y22-A35 HydrophobicContact CG-CB 4.41Å |
| 23 | K | 88.2 | Confident | 81.1 | Confident | 118 Ų | 118 | 79 Ų | 79 | 51% | 0.513 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.1 | -37.9 | -179.4 | -76.2 | -75.5 | 168.1 | -162.3 | 0 | 112.6 | V19 D20 R25 E26 S27 | V19-K23 HydrophobicContact CG1-CG 4.49Å; V19-K23 WeakPolarHBondContact O-CG 3.47Å; V19-K23 PolarHBondContact O-N 3.32Å; D20-K23 PolarHBondContact O-N 3.25Å; K23-R25 PolarHBondContact O-N 3.48Å; K23-E26 WeakPolarHBondContact CD-OE2 3.31Å; K23-E26 WeakPolarHBondContact CE-OE2 3.41Å; K23-E26 IonicContact NZ-OE1 3.68Å; K23-E26 IonicContact NZ-OE2 2.8Å; K23-E26 PolarHBondContact NZ-OE2 2.9Å; K23-E26 PolarHBondContact O-N 3.46Å; K23-S27 PolarHBondContact O-N 3.49Å |
| 24 | R | 84.6 | Confident | 80.2 | Confident | 153 Ų | 153 | 80.5 Ų | 80.5 | 58% | 0.577 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -65.5 | -20.1 | 173.3 | -74.4 | -169.4 | -75.6 | 172.8 | -2.7 | 113.8 | D20 Y22 S27 | D20-R24 WeakPolarHBondContact O-CB 3Å; D20-R24 WeakPolarHBondContact O-CG 3.4Å; D20-R24 PolarHBondContact O-N 3.36Å; D20-R24 IonicContact OD1-NE 3.99Å; D20-R24 IonicContact OD2-CZ 2.71Å; D20-R24 IonicContact OD2-NE 3.68Å; D20-R24 PolarHBondContact OD2-NE 2.92Å; D20-R24 IonicContact OD2-NH2 3.81Å; D20-R24 PolarHBondContact OD2-NH2 3.27Å; Y22-R24 VanDerWaalsContact C-N 3.32Å; Y22-R24 PolarHBondContact O-N 3.06Å; R24-S27 PolarHBondContact O-OG 3.49Å; R24-S27 VanDerWaalsContact O-OG 3.06Å |
| 25 | R | 77.4 | Confident | 79.5 | Confident | 44 Ų | 44 | 82.3 Ų | 82.3 | 17% | 0.166 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -90.4 | -37.2 | 174.1 | -128.3 | -165.9 | -163.9 | 127.1 | 22.8 | 112.1 | S21 Y22 K23 S27 R28 K34 V58 Y60 | S21-R25 PolarHBondContact O-N 2.71Å; Y22-R25 WeakPolarHBondContact O-CA 3.41Å; Y22-R25 WeakPolarHBondContact O-CB 3.4Å; Y22-R25 PolarHBondContact O-N 2.92Å; K23-R25 PolarHBondContact O-N 3.48Å; R25-S27 PolarHBondContact O-N 3.28Å; R25-R28 VanDerWaalsContact O-CB 3.27Å; R25-R28 WeakPolarHBondContact O-CB 3.27Å; R25-R28 PolarHBondContact O-N 3.26Å; R25-K34 PolarHBondContact NH1-O 3.28Å; R25-V58 PolarHBondContact NH2-O 2.75Å; R25-Y60 VanDerWaalsContact CZ-O 3.29Å; R25-Y60 PolarHBondContact NH2-O 2.82Å |
| 26 | E | 71.4 | Confident | 79.1 | Confident | 80 Ų | 80 | 81 Ų | 81 | 37% | 0.374 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -55.4 | -36.4 | 179.9 | -171.1 | -177.1 | -178 | 0 | 0 | 112.2 | Y22 K23 R28 G29 N33 | Y22-E26 PolarHBondContact O-N 2.92Å; K23-E26 WeakPolarHBondContact CD-OE2 3.31Å; K23-E26 WeakPolarHBondContact CE-OE2 3.41Å; K23-E26 IonicContact NZ-OE1 3.68Å; K23-E26 IonicContact NZ-OE2 2.8Å; K23-E26 PolarHBondContact NZ-OE2 2.9Å; K23-E26 PolarHBondContact O-N 3.46Å; E26-R28 PolarHBondContact O-N 2.84Å; E26-G29 PolarHBondContact O-N 2.94Å; E26-G29 VanDerWaalsContact O-N 3.12Å; E26-N33 WeakPolarHBondContact CA-ND2 3.18Å |
| 27 | S | 67.2 | Low | 78.9 | Confident | 102 Ų | 102 | 77.3 Ų | 77.3 | 71% | 0.713 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -10.2 | 173.8 | 63.6 | 0 | 0 | 0 | 0 | 114.9 | K23 R24 R25 | K23-S27 PolarHBondContact O-N 3.49Å; R24-S27 PolarHBondContact O-OG 3.49Å; R24-S27 VanDerWaalsContact O-OG 3.06Å; R25-S27 PolarHBondContact O-N 3.28Å |
| 28 | R | 64.1 | Low | 78.9 | Confident | 200 Ų | 200 | 78.3 Ų | 78.3 | 76% | 0.755 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | 0.7 | 177.2 | -60.9 | -172.1 | 169.8 | 127 | 0.9 | 114.4 | R25 E26 | R25-R28 VanDerWaalsContact O-CB 3.27Å; R25-R28 WeakPolarHBondContact O-CB 3.27Å; R25-R28 PolarHBondContact O-N 3.26Å; E26-R28 PolarHBondContact O-N 2.84Å |
| 29 | G | 54.9 | Low | 78.9 | Confident | 72 Ų | 72 | 79.2 Ų | 79.2 | 74% | 0.742 | 44% | 0.438 | S | S | * | . | trans | 74.1 | 53.5 | 160.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | E26 | E26-G29 PolarHBondContact O-N 2.94Å; E26-G29 VanDerWaalsContact O-N 3.12Å | ||
| 30 | G | 60.9 | Low | 79 | Confident | 38 Ų | 38 | 78.7 Ų | 78.7 | 39% | 0.392 | 43% | 0.432 | S | S | . | . | trans | -124 | 146 | 170 | 0 | 0 | 0 | 0 | 0 | 113.3 | C32 N33 | G30-C32 PolarHBondContact O-N 2.78Å; G30-N33 PolarHBondContact O-ND2 3.07Å; G30-N33 PolarHBondContact O-OD1 3.07Å | ||
| 31 | C | 59.5 | Low | 79.1 | Confident | 83 Ų | 83 | 77.5 Ų | 77.5 | 56% | 0.561 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -65.6 | -23.6 | 174.2 | 52.5 | 0 | 0 | 0 | 0 | 113.6 | C69 C71 | C31-C69 PolarHBondContact SG-O 3.32Å; C31-C69 VanDerWaalsContact SG-O 3.32Å; C31-C71 WeakPolarHBondContact CB-SG 3.42Å |
| 32 | C | 62.9 | Low | 79.3 | Confident | 44 Ų | 44 | 79.3 Ų | 79.3 | 30% | 0.297 | 45% | 0.447 | S | S | . | . | trans | -104.2 | 55.8 | 177.2 | -56.9 | 0 | 0 | 0 | 0 | 111.9 | G30 K34 E62 C69 | G30-C32 PolarHBondContact O-N 2.78Å; C32-K34 PolarHBondContact O-N 3.37Å; C32-E62 WeakPolarHBondContact CB-OE2 3.29Å; C32-C69 VanDerWaalsContact CA-SG 3.58Å; C32-C69 HydrophobicContact CB-CB 3.98Å; C32-C69 WeakPolarHBondContact CB-SG 3.27Å; C32-C69 WeakPolarHBondContact SG-CB 3.39Å; C32-C69 CovalentContact SG-SG 2.01Å; C32-C69 PolarHBondContact SG-SG 2.82Å | ||
| 33 | N | 72.2 | Confident | 79.3 | Confident | 32 Ų | 32 | 77.2 Ų | 77.2 | 17% | 0.171 | 45% | 0.446 | C | S | . | . | trans | -73.6 | 94.4 | 176.6 | -73.2 | -36.6 | 0 | 0 | 0 | 109.5 | Y22 E26 G30 | Y22-N33 HydrophobicContact CE2-CB 4.47Å; Y22-N33 WeakPolarHBondContact CE2-O 3.47Å; Y22-N33 PolarHBondContact OH-O 2.97Å; Y22-N33 VanDerWaalsContact OH-O 3.07Å; E26-N33 WeakPolarHBondContact CA-ND2 3.18Å; G30-N33 PolarHBondContact O-ND2 3.07Å; G30-N33 PolarHBondContact O-OD1 3.07Å | ||
| 34 | K | 78.2 | Confident | 79.2 | Confident | 108 Ų | 108 | 76.4 Ų | 76.4 | 47% | 0.47 | 44% | 0.441 | S | S | . | . | trans | -104.3 | 131.2 | 165 | -75.8 | 176.9 | -161.6 | 155.7 | 0 | 110.6 | R25 C32 E62 | R25-K34 PolarHBondContact NH1-O 3.28Å; C32-K34 PolarHBondContact O-N 3.37Å; K34-E62 IonicContact NZ-OE1 2.97Å; K34-E62 PolarHBondContact NZ-OE1 3.48Å; K34-E62 IonicContact NZ-OE2 2.62Å | ||
| 35 | A | 81.3 | Confident | 79 | Confident | 40 Ų | 40 | 77.4 Ų | 77.4 | 33% | 0.331 | 45% | 0.445 | S | S | . | . | trans | -95.2 | 119.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y22 | Y22-A35 HydrophobicContact CD2-CB 3.85Å; Y22-A35 HydrophobicContact CG-CB 4.41Å | ||
| 36 | I | 88.3 | Confident | 79.1 | Confident | 72 Ų | 72 | 84.3 Ų | 84.3 | 37% | 0.369 | 48% | 0.48 | S | S | . | . | trans | -109.3 | 137.5 | 173.1 | -60.6 | -168.1 | 0 | 0 | 0 | 107.4 | V58 Y60 | I36-V58 PolarHBondContact O-N 3.21Å; I36-Y60 HydrophobicContact CB-CG 4.36Å; I36-Y60 HydrophobicContact CD1-CD1 3.55Å; I36-Y60 HydrophobicContact CD1-CD2 3.67Å; I36-Y60 HydrophobicContact CD1-CE1 3.67Å; I36-Y60 HydrophobicContact CD1-CE2 3.8Å; I36-Y60 HydrophobicContact CD1-CG 3.53Å; I36-Y60 HydrophobicContact CG1-CD1 3.92Å; I36-Y60 HydrophobicContact CG1-CE1 4.37Å; I36-Y60 HydrophobicContact CG1-CG 4.04Å | ||
| 37 | G | 92.1 | Very high | 79.6 | Confident | 43 Ų | 43 | 88.2 Ų | 88.2 | 44% | 0.443 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 165.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y56 | G37-Y56 CarbonylContact C-O 3.59Å; G37-Y56 WeakPolarHBondContact CA-O 2.79Å |
| 38 | T | 94.9 | Very high | 80.4 | Confident | 55 Ų | 55 | 87.3 Ų | 87.3 | 34% | 0.337 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 132.4 | 173.4 | -55.4 | 0 | 0 | 0 | 0 | 109.1 | L40 C55 Y56 | T38-L40 HydrophobicContact CG2-CD2 4.42Å; T38-C55 VanDerWaalsContact O-CA 3.23Å; T38-C55 WeakPolarHBondContact O-CA 2.94Å; T38-C55 WeakPolarHBondContact O-CB 2.99Å; T38-Y56 HydrophobicContact CG2-CE1 4.11Å; T38-Y56 PolarHBondContact N-O 3.06Å; T38-Y56 PolarHBondContact O-N 3.37Å |
| 39 | L | 95.3 | Very high | 81.6 | Confident | 102 Ų | 102 | 78.5 Ų | 78.5 | 53% | 0.534 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 137.8 | 172.8 | -59.4 | -177.7 | 0 | 0 | 0 | 109.9 | V14 I18 V52 C55 | V14-L39 HydrophobicContact CG1-CD2 3.95Å; I18-L39 HydrophobicContact CD1-CD2 4.31Å; L39-V52 HydrophobicContact CB-CG1 3.94Å; L39-V52 HydrophobicContact CD1-CG1 4.42Å; L39-V52 HydrophobicContact CD2-CG1 4.3Å; L39-V52 HydrophobicContact CG-CG1 4.45Å; L39-C55 HydrophobicContact CD2-CB 3.58Å |
| 40 | L | 95.7 | Very high | 83.3 | Confident | 72 Ų | 72 | 76.7 Ų | 76.7 | 38% | 0.377 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 137.2 | 179.5 | -62.2 | 177.2 | 0 | 0 | 0 | 109.5 | T38 V53 N54 Y56 | T38-L40 HydrophobicContact CG2-CD2 4.42Å; L40-V53 PolarHBondContact O-N 2.92Å; L40-N54 HydrophobicContact CB-CB 4.22Å; L40-N54 PolarHBondContact N-O 2.87Å; L40-N54 PolarHBondContact O-N 2.96Å; L40-N54 VanDerWaalsContact O-O 3.06Å; L40-Y56 HydrophobicContact CD1-CD1 3.83Å; L40-Y56 HydrophobicContact CD1-CE1 3.88Å; L40-Y56 HydrophobicContact CD2-CE1 4.12Å; L40-Y56 HydrophobicContact CG-CD1 4.22Å; L40-Y56 HydrophobicContact CG-CE1 4.06Å |
| 41 | G | 94.1 | Very high | 84.9 | Confident | 47 Ų | 47 | 76.6 Ų | 76.6 | 49% | 0.485 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.5 | -178.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | E51 | G41-E51 CarbonylContact C-O 3.53Å; G41-E51 WeakPolarHBondContact CA-O 3.27Å |
| 42 | T | 92.9 | Very high | 86.6 | Confident | 67 Ų | 67 | 73 Ų | 73 | 41% | 0.411 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 126.6 | 177.5 | -44 | 0 | 0 | 0 | 0 | 108.7 | Y44 E51 | T42-Y44 HydrophobicContact CG2-CE1 4.14Å; T42-Y44 HydrophobicContact CG2-CE2 4.3Å; T42-E51 PolarHBondContact N-O 3.37Å; T42-E51 PolarHBondContact O-N 3.37Å |
| 43 | S | 89.3 | Confident | 88.2 | Confident | 50 Ų | 50 | 73.8 Ų | 73.8 | 35% | 0.35 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 113.6 | 170.5 | 62.1 | 0 | 0 | 0 | 0 | 109.7 | Y45 | S43-Y45 PolarHBondContact O-N 3.41Å; S43-Y45 WeakPolarHBondContact OG-CE2 3.33Å |
| 44 | Y | 86 | Confident | 89.4 | Confident | 101 Ų | 101 | 76.2 Ų | 76.2 | 40% | 0.396 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 88.9 | 170.8 | -61.7 | -76.9 | 0 | 0 | 0 | 109 | T42 E46 K47 N48 A49 E51 | T42-Y44 HydrophobicContact CG2-CE1 4.14Å; T42-Y44 HydrophobicContact CG2-CE2 4.3Å; Y44-E46 VanDerWaalsContact C-N 3.25Å; Y44-E46 PolarHBondContact O-N 2.95Å; Y44-K47 PolarHBondContact O-N 2.87Å; Y44-N48 PolarHBondContact O-N 2.62Å; Y44-A49 WeakPolarHBondContact CA-O 3.44Å; Y44-A49 WeakPolarHBondContact CB-O 3.04Å; Y44-A49 PolarHBondContact N-O 2.71Å; Y44-A49 PolarHBondContact O-N 2.01Å; Y44-E51 HydrophobicContact CD2-CB 4.4Å; Y44-E51 HydrophobicContact CE2-CB 3.89Å |
| 45 | Y | 80.6 | Confident | 90.2 | Very high | 173 Ų | 173 | 71.8 Ų | 71.8 | 68% | 0.678 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -56.4 | -39.2 | 179.1 | -71.7 | -77.6 | 0 | 0 | 0 | 112.6 | S43 K47 N48 | S43-Y45 PolarHBondContact O-N 3.41Å; S43-Y45 WeakPolarHBondContact OG-CE2 3.33Å; Y45-K47 VanDerWaalsContact C-N 3.3Å; Y45-K47 PolarHBondContact O-N 3.4Å; Y45-N48 PolarHBondContact O-N 2.83Å |
| 46 | E | 80 | Confident | 90.9 | Very high | 190 Ų | 190 | 75.5 Ų | 75.5 | 89% | 0.888 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -66 | -29.9 | -178.9 | -63.3 | -178.5 | 173.9 | 0 | 0 | 113.8 | Y44 | Y44-E46 VanDerWaalsContact C-N 3.25Å; Y44-E46 PolarHBondContact O-N 2.95Å |
| 47 | K | 80 | Confident | 91 | Very high | 162 Ų | 162 | 74.2 Ų | 74.2 | 70% | 0.704 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -103.5 | 7.2 | -174.4 | -64.3 | -176.1 | -179.1 | 177.6 | 0 | 113 | Y44 Y45 A49 | Y44-K47 PolarHBondContact O-N 2.87Å; Y45-K47 VanDerWaalsContact C-N 3.3Å; Y45-K47 PolarHBondContact O-N 3.4Å; K47-A49 HydrophobicContact CB-CB 4.35Å; K47-A49 PolarHBondContact O-N 3.04Å; K47-A49 VanDerWaalsContact O-N 3.16Å |
| 48 | N | 84.9 | Confident | 90.8 | Very high | 83 Ų | 83 | 75.1 Ų | 75.1 | 44% | 0.444 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 44.8 | 43.5 | -169.6 | -72.7 | -39.3 | 0 | 0 | 0 | 112.8 | F6 T7 Y44 Y45 | F6-N48 CarbonylContact C-O 3.54Å; F6-N48 VanDerWaalsContact CA-O 3.25Å; F6-N48 WeakPolarHBondContact CA-O 3.33Å; F6-N48 VanDerWaalsContact CD1-C 3.49Å; F6-N48 WeakPolarHBondContact CD1-O 3.48Å; F6-N48 VanDerWaalsContact CD2-C 3.49Å; F6-N48 VanDerWaalsContact CD2-CA 3.47Å; F6-N48 HydrophobicContact CD2-CB 3.6Å; F6-N48 WeakPolarHBondContact CD2-O 3.4Å; F6-N48 VanDerWaalsContact CE1-C 3.43Å; F6-N48 VanDerWaalsContact CE2-C 3.5Å; F6-N48 HydrophobicContact CE2-CB 3.82Å; F6-N48 WeakPolarHBondContact CE2-OD1 3.45Å; F6-N48 HydrophobicContact CG-CB 4.32Å; F6-N48 WeakPolarHBondContact CG-O 3.5Å; F6-N48 VanDerWaalsContact CZ-C 3.45Å; T7-N48 PolarHBondContact N-O 2.97Å; Y44-N48 PolarHBondContact O-N 2.62Å; Y45-N48 PolarHBondContact O-N 2.83Å |
| 49 | A | 88.4 | Confident | 90.2 | Very high | 15 Ų | 15 | 82.7 Ų | 82.7 | 12% | 0.124 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 136.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F6 T7 Y44 K47 | F6-A49 WeakPolarHBondContact CE1-O 3.21Å; T7-A49 CarbonylContact O-C 3.57Å; T7-A49 WeakPolarHBondContact O-CA 3.37Å; Y44-A49 WeakPolarHBondContact CA-O 3.44Å; Y44-A49 WeakPolarHBondContact CB-O 3.04Å; Y44-A49 PolarHBondContact N-O 2.71Å; Y44-A49 PolarHBondContact O-N 2.01Å; K47-A49 HydrophobicContact CB-CB 4.35Å; K47-A49 PolarHBondContact O-N 3.04Å; K47-A49 VanDerWaalsContact O-N 3.16Å |
| 50 | V | 92.1 | Very high | 89.3 | Confident | 34 Ų | 34 | 81.6 Ų | 81.6 | 21% | 0.206 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 128.8 | 167.8 | -179.5 | 0 | 0 | 0 | 0 | 107.7 | F6 T7 V8 R9 V52 | F6-V50 HydrophobicContact CD1-CG2 3.7Å; F6-V50 HydrophobicContact CE1-CB 4.28Å; F6-V50 HydrophobicContact CE1-CG2 3.34Å; F6-V50 HydrophobicContact CZ-CG2 4.46Å; T7-V50 PolarHBondContact O-N 2.93Å; V8-V50 CarbonylContact C-O 3.42Å; V8-V50 WeakPolarHBondContact CA-O 3.5Å; R9-V50 PolarHBondContact N-O 2.88Å; V50-V52 HydrophobicContact CG1-CG2 4.15Å |
| 51 | E | 94.1 | Very high | 88.2 | Confident | 35 Ų | 35 | 83.3 Ų | 83.3 | 16% | 0.164 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 113.9 | 170.7 | -170.5 | 173.3 | -150.3 | 0 | 0 | 109.9 | R9 H11 G41 T42 Y44 V53 | R9-E51 CarbonylContact O-C 3.44Å; R9-E51 WeakPolarHBondContact O-CA 3.23Å; H11-E51 IonicContact CD2-OE1 2.71Å; H11-E51 IonicContact CE1-OE1 3.84Å; H11-E51 IonicContact NE2-OE1 2.83Å; H11-E51 PolarHBondContact NE2-OE1 2.9Å; G41-E51 CarbonylContact C-O 3.53Å; G41-E51 WeakPolarHBondContact CA-O 3.27Å; T42-E51 PolarHBondContact N-O 3.37Å; T42-E51 PolarHBondContact O-N 3.37Å; Y44-E51 HydrophobicContact CD2-CB 4.4Å; Y44-E51 HydrophobicContact CE2-CB 3.89Å; E51-V53 HydrophobicContact CG-CG1 4.26Å |
| 52 | V | 96.3 | Very high | 87 | Confident | 8 Ų | 8 | 83 Ų | 83 | 5% | 0.048 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 111.6 | 176.9 | -171.6 | 0 | 0 | 0 | 0 | 108.4 | V8 R9 V10 H11 V14 L39 V50 | V8-V52 HydrophobicContact CG1-CG2 3.98Å; R9-V52 PolarHBondContact O-N 3.12Å; V10-V52 HydrophobicContact CG1-CB 4.49Å; V10-V52 HydrophobicContact CG2-CB 4.37Å; V10-V52 HydrophobicContact CG2-CG2 4.37Å; H11-V52 PolarHBondContact CD2-O 3.33Å; H11-V52 PolarHBondContact N-O 2.99Å; V14-V52 HydrophobicContact CG1-CG1 4.06Å; V14-V52 HydrophobicContact CG2-CG1 4.17Å; L39-V52 HydrophobicContact CB-CG1 3.94Å; L39-V52 HydrophobicContact CD1-CG1 4.42Å; L39-V52 HydrophobicContact CD2-CG1 4.3Å; L39-V52 HydrophobicContact CG-CG1 4.45Å; V50-V52 HydrophobicContact CG1-CG2 4.15Å |
| 53 | V | 96.2 | Very high | 85.5 | Confident | 60 Ų | 60 | 83.2 Ų | 83.2 | 36% | 0.364 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | -25.4 | -176.2 | -82.3 | 0 | 0 | 0 | 0 | 113.2 | L40 E51 | L40-V53 PolarHBondContact O-N 2.92Å; E51-V53 HydrophobicContact CG-CG1 4.26Å |
| 54 | N | 96 | Very high | 84.1 | Confident | 84 Ų | 84 | 90.6 Ų | 90.6 | 45% | 0.449 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 165 | -177.6 | -162 | 6 | 0 | 0 | 0 | 111.8 | L40 | L40-N54 HydrophobicContact CB-CB 4.22Å; L40-N54 PolarHBondContact N-O 2.87Å; L40-N54 PolarHBondContact O-N 2.96Å; L40-N54 VanDerWaalsContact O-O 3.06Å |
| 55 | C | 96.6 | Very high | 82.8 | Confident | 14 Ų | 14 | 93.1 Ų | 93.1 | 10% | 0.095 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 157.4 | 170.7 | 65.3 | 0 | 0 | 0 | 0 | 111 | V14 S17 T38 L39 | V14-C55 HydrophobicContact CG1-CB 3.96Å; S17-C55 VanDerWaalsContact CB-SG 3.56Å; T38-C55 VanDerWaalsContact O-CA 3.23Å; T38-C55 WeakPolarHBondContact O-CA 2.94Å; T38-C55 WeakPolarHBondContact O-CB 2.99Å; L39-C55 HydrophobicContact CD2-CB 3.58Å |
| 56 | Y | 94.3 | Very high | 81.3 | Confident | 118 Ų | 118 | 90.3 Ų | 90.3 | 46% | 0.463 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 143 | 170.5 | 63.6 | -89.4 | 0 | 0 | 0 | 111.3 | G37 T38 L40 | G37-Y56 CarbonylContact C-O 3.59Å; G37-Y56 WeakPolarHBondContact CA-O 2.79Å; T38-Y56 HydrophobicContact CG2-CE1 4.11Å; T38-Y56 PolarHBondContact N-O 3.06Å; T38-Y56 PolarHBondContact O-N 3.37Å; L40-Y56 HydrophobicContact CD1-CD1 3.83Å; L40-Y56 HydrophobicContact CD1-CE1 3.88Å; L40-Y56 HydrophobicContact CD2-CE1 4.12Å; L40-Y56 HydrophobicContact CG-CD1 4.22Å; L40-Y56 HydrophobicContact CG-CE1 4.06Å |
| 57 | G | 90.4 | Very high | 79.6 | Confident | 45 Ų | 45 | 90.3 Ų | 90.3 | 46% | 0.464 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 140.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 58 | V | 88.6 | Confident | 77.9 | Confident | 63 Ų | 63 | 87.2 Ų | 87.2 | 38% | 0.382 | 46% | 0.455 | S | S | . | . | trans | -101.7 | 145.4 | 174.8 | -146.3 | 0 | 0 | 0 | 0 | 109.9 | R25 I36 Y60 | R25-V58 PolarHBondContact NH2-O 2.75Å; I36-V58 PolarHBondContact O-N 3.21Å; V58-Y60 VanDerWaalsContact C-N 3.29Å; V58-Y60 PolarHBondContact O-N 2.91Å | ||
| 59 | K | 81.5 | Confident | 76.1 | Confident | 214 Ų | 214 | 85.5 Ų | 85.5 | 93% | 0.93 | 45% | 0.449 | S | S | * | . | trans | -69.7 | 89.8 | 171 | -73.5 | -170.7 | -176.8 | 178.7 | 0 | 109.6 | ||||
| 60 | Y | 77.9 | Confident | 73.9 | Confident | 78 Ų | 78 | 93 Ų | 93 | 31% | 0.306 | 48% | 0.482 | S | S | . | . | trans | -99.6 | 137 | 167.8 | 179.8 | -109.1 | 0 | 0 | 0 | 110.1 | R25 I36 V58 E62 | R25-Y60 VanDerWaalsContact CZ-O 3.29Å; R25-Y60 PolarHBondContact NH2-O 2.82Å; I36-Y60 HydrophobicContact CB-CG 4.36Å; I36-Y60 HydrophobicContact CD1-CD1 3.55Å; I36-Y60 HydrophobicContact CD1-CD2 3.67Å; I36-Y60 HydrophobicContact CD1-CE1 3.67Å; I36-Y60 HydrophobicContact CD1-CE2 3.8Å; I36-Y60 HydrophobicContact CD1-CG 3.53Å; I36-Y60 HydrophobicContact CG1-CD1 3.92Å; I36-Y60 HydrophobicContact CG1-CE1 4.37Å; I36-Y60 HydrophobicContact CG1-CG 4.04Å; V58-Y60 VanDerWaalsContact C-N 3.29Å; V58-Y60 PolarHBondContact O-N 2.91Å; Y60-E62 HydrophobicContact CE1-CB 3.76Å; Y60-E62 HydrophobicContact CE1-CG 4.11Å; Y60-E62 WeakPolarHBondContact OH-CG 3.34Å | ||
| 61 | S | 72 | Confident | 71.7 | Confident | 109 Ų | 109 | 99.2 Ų | 99.2 | 76% | 0.762 | 53% | 0.525 | S | S | * | . | trans | -128.2 | 120.8 | 165 | -174 | 0 | 0 | 0 | 0 | 105.6 | S63 | S61-S63 PolarHBondContact O-N 3.4Š| ||
| 62 | E | 68.3 | Low | 70.6 | Confident | 40 Ų | 40 | 102.5 Ų | 102.5 | 19% | 0.187 | 54% | 0.543 | C | S | . | . | trans | -69.5 | 121 | 177 | -155.9 | 155.4 | -148.5 | 0 | 0 | 107.3 | C32 K34 Y60 | C32-E62 WeakPolarHBondContact CB-OE2 3.29Å; K34-E62 IonicContact NZ-OE1 2.97Å; K34-E62 PolarHBondContact NZ-OE1 3.48Å; K34-E62 IonicContact NZ-OE2 2.62Å; Y60-E62 HydrophobicContact CE1-CB 3.76Å; Y60-E62 HydrophobicContact CE1-CG 4.11Å; Y60-E62 WeakPolarHBondContact OH-CG 3.34Å | ||
| 63 | S | 62.7 | Low | 69.2 | Low | 71 Ų | 71 | 107.4 Ų | 107.4 | 50% | 0.497 | 57% | 0.569 | S | S | . | * | trans | -69.7 | 129 | 168.5 | 39.2 | 0 | 0 | 0 | 0 | 107.6 | S61 D65 E66 | S61-S63 PolarHBondContact O-N 3.4Å; S63-D65 PolarHBondContact O-N 3.32Å; S63-E66 PolarHBondContact O-N 2.98Å | ||
| 64 | K | 58.8 | Low | 67.7 | Low | 206 Ų | 206 | 110.1 Ų | 110.1 | 90% | 0.896 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.6 | -10.9 | -172.8 | -79.7 | -174.9 | 174 | -176.6 | 0 | 115.6 | ||
| 65 | D | 59.4 | Low | 66 | Low | 154 Ų | 154 | 111.6 Ų | 111.6 | 82% | 0.824 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -17.9 | -175.7 | -62.3 | -46.1 | 0 | 0 | 0 | 113.9 | S63 Y67 | S63-D65 PolarHBondContact O-N 3.32Å; D65-Y67 PolarHBondContact O-N 2.82Å |
| 66 | E | 48.9 | Very low | 64.1 | Low | 114 Ų | 114 | 117.7 Ų | 117.7 | 53% | 0.533 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -96.1 | 87.3 | 174.6 | -80.8 | -178 | 124.5 | 0 | 0 | 110.9 | S63 | S63-E66 PolarHBondContact O-N 2.98Š|
| 67 | Y | 45.1 | Very low | 62.1 | Low | 190 Ų | 190 | 117.7 Ų | 117.7 | 75% | 0.745 | 63% | 0.629 | S | S | * | * | trans | 62.3 | 90.8 | 158.8 | -47.8 | -82.8 | 0 | 0 | 0 | 116.2 | D65 C69 | D65-Y67 PolarHBondContact O-N 2.82Å; Y67-C69 PolarHBondContact O-N 2.86Å | ||
| 68 | S | 43.9 | Very low | 60.1 | Low | 97 Ų | 97 | 122.9 Ų | 122.9 | 68% | 0.678 | 64% | 0.641 | S | S | * | * | trans | 7.9 | 84.6 | 143.7 | 57.8 | 0 | 0 | 0 | 0 | 116.2 | Q70 | S68-Q70 PolarHBondContact O-N 3.33Š| ||
| 69 | C | 46.6 | Very low | 57.9 | Low | 46 Ų | 46 | 127.5 Ų | 127.5 | 31% | 0.311 | 66% | 0.661 | S | S | . | * | trans | -75 | 88.8 | 150.7 | -38.1 | 0 | 0 | 0 | 0 | 106.2 | C31 C32 Y67 | C31-C69 PolarHBondContact SG-O 3.32Å; C31-C69 VanDerWaalsContact SG-O 3.32Å; C32-C69 VanDerWaalsContact CA-SG 3.58Å; C32-C69 HydrophobicContact CB-CB 3.98Å; C32-C69 WeakPolarHBondContact CB-SG 3.27Å; C32-C69 WeakPolarHBondContact SG-CB 3.39Å; C32-C69 CovalentContact SG-SG 2.01Å; C32-C69 PolarHBondContact SG-SG 2.82Å; Y67-C69 PolarHBondContact O-N 2.86Å | ||
| 70 | Q | 42.3 | Very low | 55.9 | Low | 174 Ų | 174 | 120.3 Ų | 120.3 | 81% | 0.813 | 64% | 0.638 | S | S | * | * | trans | -84.6 | 109.9 | 168.9 | -144.8 | 162.4 | -6.8 | 0 | 0 | 106 | S68 | S68-Q70 PolarHBondContact O-N 3.33Š| ||
| 71 | C | 45.3 | Very low | 53.9 | Low | 164 Ų | 164 | 124.1 Ų | 124.1 | 100% | 1.108 | 67% | 0.668 | S | S | * | * | trans | -71.3 | 0 | 162.4 | -69.1 | 0 | 0 | 0 | 0 | 109.9 | C31 | C31-C71 WeakPolarHBondContact CB-SG 3.42Š|
Retrieved 71 of 71 residues in 44.4 ms
(Link to these results)