| 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 | 40 | Very low | 68.6 | Low | 234 Ų | 234 | 109.4 Ų | 109.4 | 100% | 1.153 | 62% | 0.621 | S | S | * | * | 0 | 94.7 | 0 | -68.9 | -127 | -108.8 | 0 | 0 | 108.5 | T3 | M1-T3 PolarHBondContact O-N 2.95Å; M1-T3 VanDerWaalsContact O-N 3.1Å | |||
| 2 | S | 49.1 | Very low | 71 | Confident | 121 Ų | 121 | 103.8 Ų | 103.8 | 85% | 0.846 | 59% | 0.587 | S | S | * | * | trans | -78.5 | 93.1 | 176.7 | 175.8 | 0 | 0 | 0 | 0 | 108.4 | S4 | S2-S4 VanDerWaalsContact C-N 3.34Å; S2-S4 PolarHBondContact O-N 3.21Å | ||
| 3 | T | 52.1 | Low | 73 | Confident | 103 Ų | 103 | 95.8 Ų | 95.8 | 63% | 0.632 | 54% | 0.542 | S | S | * | . | trans | -66.6 | 101.1 | 161.5 | 47.5 | 0 | 0 | 0 | 0 | 106.1 | M1 Q5 | M1-T3 PolarHBondContact O-N 2.95Å; M1-T3 VanDerWaalsContact O-N 3.1Å; T3-Q5 PolarHBondContact O-N 2.86Å | ||
| 4 | S | 59.6 | Low | 74.9 | Confident | 105 Ų | 105 | 91.2 Ų | 91.2 | 73% | 0.734 | 52% | 0.515 | S | S | * | . | trans | -67.9 | 61.4 | 162.7 | 47.7 | 0 | 0 | 0 | 0 | 109 | S2 G6 | S2-S4 VanDerWaalsContact C-N 3.34Å; S2-S4 PolarHBondContact O-N 3.21Å; S4-G6 PolarHBondContact O-N 3.37Å; S4-G6 VanDerWaalsContact O-N 3.08Å | ||
| 5 | Q | 56.2 | Low | 76.4 | Confident | 179 Ų | 179 | 85.1 Ų | 85.1 | 84% | 0.836 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 111.5 | 169.4 | -99.2 | 179.5 | -26 | 0 | 0 | 106.8 | T3 | T3-Q5 PolarHBondContact O-N 2.86Š|
| 6 | G | 65.5 | Low | 77.8 | Confident | 78 Ų | 78 | 84.2 Ų | 84.2 | 80% | 0.804 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 129.8 | -27.8 | 160.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | S4 I8 | S4-G6 PolarHBondContact O-N 3.37Å; S4-G6 VanDerWaalsContact O-N 3.08Å; G6-I8 PolarHBondContact O-N 3.3Å |
| 7 | F | 72.6 | Confident | 79 | Confident | 93 Ų | 93 | 79.6 Ų | 79.6 | 41% | 0.408 | 45% | 0.446 | S | S | . | . | trans | -94.3 | 99.2 | -179.9 | -168.3 | -102.1 | 0 | 0 | 0 | 112.1 | K9 K63 | F7-K9 HydrophobicContact CD1-CG 4.5Å; F7-K9 PolarHBondContact O-N 3.23Å; F7-K9 VanDerWaalsContact O-N 3.17Å; F7-K63 HydrophobicContact CD1-CB 4.27Å; F7-K63 HydrophobicContact CD2-CB 4.3Å; F7-K63 HydrophobicContact CD2-CG 4.25Å; F7-K63 HydrophobicContact CE1-CB 4.2Å; F7-K63 HydrophobicContact CE2-CB 4.25Å; F7-K63 HydrophobicContact CE2-CG 4.44Å; F7-K63 HydrophobicContact CG-CB 4.31Å; F7-K63 HydrophobicContact CG-CD 4.49Å; F7-K63 HydrophobicContact CG-CG 4.5Å; F7-K63 HydrophobicContact CZ-CB 4.2Å | ||
| 8 | I | 82.1 | Confident | 80 | Confident | 117 Ų | 117 | 79.1 Ų | 79.1 | 60% | 0.6 | 45% | 0.445 | S | S | * | . | trans | -67.2 | 114.6 | 166.8 | -59.2 | 176.1 | 0 | 0 | 0 | 107.6 | G6 T10 P30 | G6-I8 PolarHBondContact O-N 3.3Å; I8-T10 PolarHBondContact O-N 3.32Å; I8-T10 PolarHBondContact O-OG1 3.38Å; I8-P30 HydrophobicContact CG2-CB 3.79Å; I8-P30 HydrophobicContact CG2-CG 4.24Å | ||
| 9 | K | 89 | Confident | 80.9 | Confident | 134 Ų | 134 | 77.6 Ų | 77.6 | 58% | 0.583 | 44% | 0.44 | S | S | * | . | trans | -58.8 | 115.6 | 174.3 | -70.5 | 177.3 | -179 | 173.9 | 0 | 108.7 | F7 R31 | F7-K9 HydrophobicContact CD1-CG 4.5Å; F7-K9 PolarHBondContact O-N 3.23Å; F7-K9 VanDerWaalsContact O-N 3.17Å; K9-R31 HydrophobicContact CB-CB 4Å; K9-R31 WeakPolarHBondContact O-CB 3.23Å; K9-R31 PolarHBondContact O-N 2.86Å | ||
| 10 | T | 93.3 | Very high | 81.7 | Confident | 36 Ų | 36 | 77.3 Ų | 77.3 | 22% | 0.221 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 146.7 | -178.3 | -60.7 | 0 | 0 | 0 | 0 | 110.9 | I8 F28 L61 | I8-T10 PolarHBondContact O-N 3.32Å; I8-T10 PolarHBondContact O-OG1 3.38Å; T10-F28 HydrophobicContact CG2-CB 3.82Å; T10-F28 HydrophobicContact CG2-CD1 4.25Å; T10-F28 HydrophobicContact CG2-CG 4.45Å; T10-L61 HydrophobicContact CG2-CD1 3.98Å; T10-L61 PolarHBondContact O-N 2.61Å |
| 11 | V | 95.1 | Very high | 82.3 | Confident | 3 Ų | 3 | 75.3 Ų | 75.3 | 2% | 0.018 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 140.4 | 170.3 | -63.4 | 0 | 0 | 0 | 0 | 110.2 | V13 F28 R29 R31 K57 R59 | V11-V13 HydrophobicContact CG2-CG1 3.99Å; V11-F28 WeakPolarHBondContact O-CA 3.23Å; V11-R29 HydrophobicContact CG2-CG 3.52Å; V11-R29 WeakPolarHBondContact CG2-O 3.44Å; V11-R29 PolarHBondContact N-O 3.06Å; V11-R29 PolarHBondContact O-N 2.88Å; V11-R29 VanDerWaalsContact O-N 3.09Å; V11-R31 HydrophobicContact CG1-CB 3.95Å; V11-R31 HydrophobicContact CG1-CG 4.13Å; V11-K57 HydrophobicContact CB-CD 4.43Å; V11-K57 HydrophobicContact CB-CG 4.37Å; V11-K57 HydrophobicContact CG1-CD 4.23Å; V11-R59 WeakPolarHBondContact CA-O 3.4Å |
| 12 | M | 97.2 | Very high | 85 | Confident | 43 Ų | 43 | 66 Ų | 66 | 21% | 0.212 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 130.3 | 169.2 | -174.6 | -170.9 | 176.7 | 0 | 0 | 107.9 | V26 G27 F28 I58 R59 L61 | M12-V26 HydrophobicContact CE-CB 4.16Å; M12-V26 HydrophobicContact CE-CG1 3.42Å; M12-V26 VanDerWaalsContact CE-CG1 3.42Å; M12-V26 HydrophobicContact CE-CG2 3.59Å; M12-V26 HydrophobicContact CG-CG1 3.64Å; M12-V26 HydrophobicContact SD-CG1 4.33Å; M12-G27 WeakPolarHBondContact CA-O 3.43Å; M12-F28 HydrophobicContact CB-CD1 4.09Å; M12-F28 HydrophobicContact CB-CE1 3.88Å; M12-F28 HydrophobicContact CG-CD1 4.31Å; M12-F28 HydrophobicContact CG-CE1 3.76Å; M12-F28 HydrophobicContact CG-CZ 4.44Å; M12-I58 HydrophobicContact CB-CB 4.49Å; M12-I58 HydrophobicContact CE-CD1 3.86Å; M12-I58 HydrophobicContact CG-CB 4.31Å; M12-I58 HydrophobicContact CG-CD1 4.12Å; M12-I58 PolarHBondContact O-N 3.3Å; M12-I58 HydrophobicContact SD-CB 4.37Å; M12-I58 HydrophobicContact SD-CD1 4.29Å; M12-I58 HydrophobicContact SD-CG2 4.14Å; M12-R59 HydrophobicContact CB-CG 4.06Å; M12-R59 PolarHBondContact N-O 3.14Å; M12-R59 PolarHBondContact O-N 2.94Å; M12-R59 HydrophobicContact SD-CG 4.1Å; M12-L61 HydrophobicContact CB-CD2 4.42Å |
| 13 | V | 98 | Very high | 87.4 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 147.9 | -175.3 | -62.9 | 0 | 0 | 0 | 0 | 109.9 | V11 L15 G27 R29 K37 E54 R56 | V11-V13 HydrophobicContact CG2-CG1 3.99Å; V13-L15 HydrophobicContact CG2-CD2 3.72Å; V13-L15 HydrophobicContact CG2-CG 4.47Å; V13-G27 WeakPolarHBondContact CG2-O 3.21Å; V13-G27 PolarHBondContact N-O 3.14Å; V13-G27 PolarHBondContact O-N 3.34Å; V13-R29 HydrophobicContact CG1-CG 4.26Å; V13-K37 HydrophobicContact CG2-CB 4.32Å; V13-K37 HydrophobicContact CG2-CD 4.16Å; V13-E54 HydrophobicContact CB-CG 3.97Å; V13-E54 HydrophobicContact CG1-CG 4.18Å; V13-E54 WeakPolarHBondContact CG1-OE1 3.4Å; V13-E54 HydrophobicContact CG2-CG 4.42Å; V13-R56 CarbonylContact C-O 3.6Å; V13-R56 WeakPolarHBondContact CA-O 3.45Å |
| 14 | L | 98.4 | Very high | 89.6 | Confident | 31 Ų | 31 | 60.1 Ų | 60.1 | 16% | 0.162 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 124.7 | 169.1 | -167.1 | 66.2 | 0 | 0 | 0 | 107.5 | C24 L55 R56 I58 | L14-C24 HydrophobicContact CD1-CB 3.8Å; L14-C24 HydrophobicContact CD2-CB 4.45Å; L14-C24 HydrophobicContact CG-CB 4.12Å; L14-L55 HydrophobicContact CD2-CD2 4.21Å; L14-L55 PolarHBondContact O-N 2.72Å; L14-R56 HydrophobicContact CB-CG 4.17Å; L14-R56 PolarHBondContact N-O 2.85Å; L14-R56 PolarHBondContact O-N 3.34Å; L14-I58 HydrophobicContact CB-CD1 3.98Å; L14-I58 HydrophobicContact CB-CG1 4.05Å; L14-I58 HydrophobicContact CD1-CD1 4.32Å |
| 15 | L | 98.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 136.1 | 171.6 | -43.4 | 178 | 0 | 0 | 0 | 108.3 | V13 C24 I25 K37 K39 Y52 R53 E54 | V13-L15 HydrophobicContact CG2-CD2 3.72Å; V13-L15 HydrophobicContact CG2-CG 4.47Å; L15-C24 CarbonylContact O-C 3.53Å; L15-C24 VanDerWaalsContact O-CA 3.24Å; L15-C24 WeakPolarHBondContact O-CA 3.33Å; L15-I25 HydrophobicContact CB-CG1 3.9Å; L15-I25 HydrophobicContact CD1-CD1 4.28Å; L15-I25 HydrophobicContact CD1-CG1 4.19Å; L15-I25 HydrophobicContact CG-CG1 4.38Å; L15-I25 PolarHBondContact N-O 2.62Å; L15-I25 PolarHBondContact O-N 3.49Å; L15-K37 HydrophobicContact CD1-CD 4.25Å; L15-K37 HydrophobicContact CD1-CG 4.38Å; L15-K37 HydrophobicContact CD2-CB 4Å; L15-K37 HydrophobicContact CD2-CD 4.3Å; L15-K37 HydrophobicContact CD2-CG 4.17Å; L15-K39 HydrophobicContact CD1-CB 4.02Å; L15-Y52 HydrophobicContact CB-CD1 4.38Å; L15-R53 CarbonylContact C-O 3.56Å; L15-R53 VanDerWaalsContact CA-O 3.25Å; L15-R53 WeakPolarHBondContact CA-O 3.12Å; L15-E54 VanDerWaalsContact CD2-CA 3.5Å; L15-E54 HydrophobicContact CD2-CB 3.7Å |
| 16 | E | 98.4 | Very high | 93.4 | Very high | 70 Ų | 70 | 51.6 Ų | 51.6 | 33% | 0.327 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 143.6 | 176.7 | -177.5 | 175.5 | -146.3 | 0 | 0 | 109.8 | Y52 R53 L55 | E16-Y52 VanDerWaalsContact C-CD1 3.46Å; E16-Y52 CarbonylContact O-C 3.56Å; E16-Y52 VanDerWaalsContact O-CA 3.24Å; E16-Y52 WeakPolarHBondContact O-CA 3.49Å; E16-R53 PolarHBondContact N-O 3.17Å; E16-R53 PolarHBondContact O-N 3.21Å; E16-L55 HydrophobicContact CB-CB 4.17Å; E16-L55 HydrophobicContact CB-CD2 4.32Å |
| 17 | S | 98.2 | Very high | 94.9 | Very high | 6 Ų | 6 | 48.1 Ų | 48.1 | 4% | 0.042 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 130.9 | 175.8 | -179.3 | 0 | 0 | 0 | 0 | 111.3 | S19 H23 D43 V50 Y52 | S17-S19 PolarHBondContact O-N 3.44Å; S17-S19 PolarHBondContact OG-N 2.75Å; S17-S19 PolarHBondContact OG-OG 2.86Å; S17-H23 WeakPolarHBondContact CB-O 3.38Å; S17-H23 PolarHBondContact N-O 2.88Å; S17-D43 VanDerWaalsContact CB-OD2 3.25Å; S17-D43 WeakPolarHBondContact CB-OD2 3.34Å; S17-D43 PolarHBondContact OG-OD2 3.24Å; S17-V50 VanDerWaalsContact OG-CG2 3.23Å; S17-V50 WeakPolarHBondContact OG-CG2 3.31Å; S17-Y52 VanDerWaalsContact N-CD1 3.3Å |
| 18 | T | 97.7 | Very high | 96 | Very high | 71 Ų | 71 | 48.5 Ų | 48.5 | 44% | 0.436 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -0.8 | 175.8 | 64.3 | 0 | 0 | 0 | 0 | 113.2 | G20 L51 R53 | T18-G20 PolarHBondContact O-N 3.12Å; T18-L51 WeakPolarHBondContact CB-O 3.38Å; T18-L51 HydrophobicContact CG2-CB 4.16Å; T18-L51 HydrophobicContact CG2-CD2 4.37Å; T18-L51 HydrophobicContact CG2-CG 4.26Å; T18-L51 VanDerWaalsContact CG2-O 3.3Å; T18-L51 WeakPolarHBondContact CG2-O 3.34Å; T18-L51 PolarHBondContact N-O 2.84Å; T18-L51 PolarHBondContact OG1-O 2.9Å; T18-R53 HydrophobicContact CG2-CB 4.25Å; T18-R53 HydrophobicContact CG2-CG 3.68Å |
| 19 | S | 96.9 | Very high | 96.6 | Very high | 50 Ų | 50 | 45 Ų | 45 | 35% | 0.35 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -11.3 | 174.8 | 70.3 | 0 | 0 | 0 | 0 | 113.1 | S17 S21 D43 | S17-S19 PolarHBondContact O-N 3.44Å; S17-S19 PolarHBondContact OG-N 2.75Å; S17-S19 PolarHBondContact OG-OG 2.86Å; S19-S21 VanDerWaalsContact C-N 3.29Å; S19-S21 WeakPolarHBondContact OG-CB 3.45Å; S19-S21 PolarHBondContact OG-N 3.23Å; S19-S21 PolarHBondContact OG-OG 2.73Å; S19-D43 PolarHBondContact OG-OD2 3Å |
| 20 | G | 95.8 | Very high | 96.8 | Very high | 71 Ų | 71 | 41.5 Ų | 41.5 | 73% | 0.732 | 26% | 0.255 | S | S | * | . | S | Bend | trans | 80.2 | 7.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | T18 G22 | T18-G20 PolarHBondContact O-N 3.12Å; G20-G22 PolarHBondContact O-N 3.29Å |
| 21 | S | 95.4 | Very high | 96.7 | Very high | 36 Ų | 36 | 44.9 Ų | 44.9 | 25% | 0.252 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -69.9 | -17 | 178.4 | 71 | 0 | 0 | 0 | 0 | 114.3 | S19 H23 D43 L45 | S19-S21 VanDerWaalsContact C-N 3.29Å; S19-S21 WeakPolarHBondContact OG-CB 3.45Å; S19-S21 PolarHBondContact OG-N 3.23Å; S19-S21 PolarHBondContact OG-OG 2.73Å; S21-H23 PolarHBondContact O-N 2.93Å; S21-H23 WeakPolarHBondContact OG-CB 3.24Å; S21-H23 PolarHBondContact OG-N 3.48Å; S21-H23 VanDerWaalsContact OG-N 3.14Å; S21-D43 WeakPolarHBondContact CB-OD2 3.43Å; S21-D43 PolarHBondContact OG-OD2 2.91Å; S21-L45 WeakPolarHBondContact O-CD1 3.41Å |
| 22 | G | 96.7 | Very high | 96.4 | Very high | 38 Ų | 38 | 52.1 Ų | 52.1 | 39% | 0.392 | 30% | 0.302 | S | S | . | . | trans | 74.7 | 1.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | G20 C24 | G20-G22 PolarHBondContact O-N 3.29Å; G22-C24 PolarHBondContact O-N 2.89Å; G22-C24 PolarHBondContact O-SG 2.75Å; G22-C24 VanDerWaalsContact O-SG 3.38Å | ||
| 23 | H | 98.2 | Very high | 96.1 | Very high | 53 Ų | 53 | 51.8 Ų | 51.8 | 25% | 0.245 | 31% | 0.306 | C | S | . | . | trans | -63.8 | 133 | 176.9 | -173.2 | -103.3 | 0 | 0 | 0 | 110.4 | S17 S21 D43 L45 Y52 | S17-H23 WeakPolarHBondContact CB-O 3.38Å; S17-H23 PolarHBondContact N-O 2.88Å; S21-H23 PolarHBondContact O-N 2.93Å; S21-H23 WeakPolarHBondContact OG-CB 3.24Å; S21-H23 PolarHBondContact OG-N 3.48Å; S21-H23 VanDerWaalsContact OG-N 3.14Å; H23-D43 WeakPolarHBondContact CB-OD1 3.35Å; H23-D43 IonicContact CG-OD1 3.89Å; H23-L45 HydrophobicContact CB-CD1 3.97Å; H23-L45 HydrophobicContact CB-CG 4.33Å; H23-Y52 AromaticContact ND1-CE1 3.68Å; H23-Y52 AromaticContact ND1-CZ 3.62Å; H23-Y52 PolarHBondContact ND1-OH 2.9Å; H23-Y52 WeakPolarHBondContact O-CE1 3.3Å | ||
| 24 | C | 98.2 | Very high | 95.5 | Very high | 49 Ų | 49 | 59.5 Ų | 59.5 | 33% | 0.331 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 143.5 | -174.8 | -71.1 | 0 | 0 | 0 | 0 | 111.6 | L14 L15 G22 | L14-C24 HydrophobicContact CD1-CB 3.8Å; L14-C24 HydrophobicContact CD2-CB 4.45Å; L14-C24 HydrophobicContact CG-CB 4.12Å; L15-C24 CarbonylContact O-C 3.53Å; L15-C24 VanDerWaalsContact O-CA 3.24Å; L15-C24 WeakPolarHBondContact O-CA 3.33Å; G22-C24 PolarHBondContact O-N 2.89Å; G22-C24 PolarHBondContact O-SG 2.75Å; G22-C24 VanDerWaalsContact O-SG 3.38Å |
| 25 | I | 98.1 | Very high | 95.2 | Very high | 36 Ų | 36 | 64.3 Ų | 64.3 | 19% | 0.185 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 160 | 174.5 | 66 | 178.7 | 0 | 0 | 0 | 110.7 | L15 K39 A41 Y52 | L15-I25 HydrophobicContact CB-CG1 3.9Å; L15-I25 HydrophobicContact CD1-CD1 4.28Å; L15-I25 HydrophobicContact CD1-CG1 4.19Å; L15-I25 HydrophobicContact CG-CG1 4.38Å; L15-I25 PolarHBondContact N-O 2.62Å; L15-I25 PolarHBondContact O-N 3.49Å; I25-K39 HydrophobicContact CD1-CD 4.47Å; I25-A41 HydrophobicContact CD1-CB 3.87Å; I25-Y52 HydrophobicContact CB-CE1 4.47Å; I25-Y52 HydrophobicContact CD1-CD1 3.75Å; I25-Y52 HydrophobicContact CD1-CD2 4.08Å; I25-Y52 HydrophobicContact CD1-CE1 4.12Å; I25-Y52 HydrophobicContact CD1-CE2 4.45Å; I25-Y52 HydrophobicContact CD1-CG 3.71Å; I25-Y52 HydrophobicContact CG1-CD1 3.61Å; I25-Y52 HydrophobicContact CG1-CE1 3.99Å; I25-Y52 HydrophobicContact CG1-CG 4.06Å; I25-Y52 HydrophobicContact CG2-CD1 4.41Å; I25-Y52 HydrophobicContact CG2-CE1 3.89Å |
| 26 | V | 98.1 | Very high | 95 | Very high | 69 Ų | 69 | 72.5 Ų | 72.5 | 42% | 0.418 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 138.9 | 174.7 | 174.1 | 0 | 0 | 0 | 0 | 110.5 | M12 F28 I58 | M12-V26 HydrophobicContact CE-CB 4.16Å; M12-V26 HydrophobicContact CE-CG1 3.42Å; M12-V26 VanDerWaalsContact CE-CG1 3.42Å; M12-V26 HydrophobicContact CE-CG2 3.59Å; M12-V26 HydrophobicContact CG-CG1 3.64Å; M12-V26 HydrophobicContact SD-CG1 4.33Å; V26-F28 HydrophobicContact CG1-CE1 4.49Å; V26-F28 HydrophobicContact CG1-CE2 4.32Å; V26-F28 HydrophobicContact CG1-CZ 4.05Å; V26-I58 HydrophobicContact CG2-CD1 4.34Å |
| 27 | G | 96.8 | Very high | 94.9 | Very high | 4 Ų | 4 | 72.3 Ų | 72.3 | 4% | 0.041 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 168.8 | 170 | 0 | 0 | 0 | 0 | 0 | 112.8 | M12 V13 | M12-G27 WeakPolarHBondContact CA-O 3.43Å; V13-G27 WeakPolarHBondContact CG2-O 3.21Å; V13-G27 PolarHBondContact N-O 3.14Å; V13-G27 PolarHBondContact O-N 3.34Å |
| 28 | F | 95.6 | Very high | 94.8 | Very high | 101 Ų | 101 | 76.8 Ų | 76.8 | 44% | 0.443 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 137.4 | 175.2 | -57.8 | -78.3 | 0 | 0 | 0 | 110.8 | T10 V11 M12 V26 K37 L61 | T10-F28 HydrophobicContact CG2-CB 3.82Å; T10-F28 HydrophobicContact CG2-CD1 4.25Å; T10-F28 HydrophobicContact CG2-CG 4.45Å; V11-F28 WeakPolarHBondContact O-CA 3.23Å; M12-F28 HydrophobicContact CB-CD1 4.09Å; M12-F28 HydrophobicContact CB-CE1 3.88Å; M12-F28 HydrophobicContact CG-CD1 4.31Å; M12-F28 HydrophobicContact CG-CE1 3.76Å; M12-F28 HydrophobicContact CG-CZ 4.44Å; V26-F28 HydrophobicContact CG1-CE1 4.49Å; V26-F28 HydrophobicContact CG1-CE2 4.32Å; V26-F28 HydrophobicContact CG1-CZ 4.05Å; F28-K37 WeakPolarHBondContact O-CD 3.24Å; F28-K37 WeakPolarHBondContact O-CE 3.25Å; F28-K37 PolarHBondContact O-NZ 2.76Å; F28-L61 HydrophobicContact CD1-CD1 3.72Å; F28-L61 HydrophobicContact CE1-CD1 3.77Å |
| 29 | R | 94.7 | Very high | 94.8 | Very high | 45 Ų | 45 | 78.5 Ų | 78.5 | 17% | 0.17 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 157.5 | 172.2 | 65.9 | 170.9 | 175.4 | 93.2 | -6.4 | 111.8 | V11 V13 R31 A33 K37 E54 | V11-R29 HydrophobicContact CG2-CG 3.52Å; V11-R29 WeakPolarHBondContact CG2-O 3.44Å; V11-R29 PolarHBondContact N-O 3.06Å; V11-R29 PolarHBondContact O-N 2.88Å; V11-R29 VanDerWaalsContact O-N 3.09Å; V13-R29 HydrophobicContact CG1-CG 4.26Å; R29-R31 PolarHBondContact O-N 2.89Å; R29-A33 PolarHBondContact NH1-O 3.38Å; R29-K37 HydrophobicContact CB-CB 4.37Å; R29-K37 HydrophobicContact CB-CD 4.49Å; R29-E54 VanDerWaalsContact CD-OE2 3.22Å; R29-E54 WeakPolarHBondContact CD-OE2 3.5Å; R29-E54 IonicContact CZ-OE1 3.8Å; R29-E54 IonicContact CZ-OE2 3.38Å; R29-E54 VanDerWaalsContact NE-CD 3.31Å; R29-E54 IonicContact NE-OE1 3.73Å; R29-E54 PolarHBondContact NE-OE1 3.38Å; R29-E54 IonicContact NE-OE2 3.05Å; R29-E54 PolarHBondContact NE-OE2 3.38Å; R29-E54 IonicContact NH2-OE1 2.75Å; R29-E54 PolarHBondContact NH2-OE1 2.94Å; R29-E54 IonicContact NH2-OE2 2.81Å |
| 30 | P | 93.7 | Very high | 94.8 | Very high | 59 Ų | 59 | 80.8 Ų | 80.8 | 38% | 0.383 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 136.9 | 168.7 | -24.4 | 35.1 | 0 | 0 | 0 | 110.8 | I8 L32 A33 | I8-P30 HydrophobicContact CG2-CB 3.79Å; I8-P30 HydrophobicContact CG2-CG 4.24Å; P30-L32 PolarHBondContact O-N 2.8Å; P30-A33 HydrophobicContact CB-CB 4.18Å; P30-A33 VanDerWaalsContact O-CB 3.31Å; P30-A33 WeakPolarHBondContact O-CB 3.42Å; P30-A33 PolarHBondContact O-N 2.84Å; P30-A33 VanDerWaalsContact O-N 3.09Å |
| 31 | R | 90.6 | Very high | 94.9 | Very high | 107 Ų | 107 | 78.3 Ų | 78.3 | 40% | 0.404 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -36.5 | 178.5 | 177.6 | -174.7 | -78 | -106 | 19.4 | 111.9 | K9 V11 R29 A33 S60 | K9-R31 HydrophobicContact CB-CB 4Å; K9-R31 WeakPolarHBondContact O-CB 3.23Å; K9-R31 PolarHBondContact O-N 2.86Å; V11-R31 HydrophobicContact CG1-CB 3.95Å; V11-R31 HydrophobicContact CG1-CG 4.13Å; R29-R31 PolarHBondContact O-N 2.89Å; R31-A33 VanDerWaalsContact C-N 3.33Å; R31-S60 PolarHBondContact NH2-OG 3.04Å |
| 32 | L | 90 | Very high | 95.1 | Very high | 156 Ų | 156 | 81.9 Ų | 81.9 | 82% | 0.817 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | 4.3 | -178.4 | -58.9 | 179.4 | 0 | 0 | 0 | 113 | P30 N34 | P30-L32 PolarHBondContact O-N 2.8Å; L32-N34 PolarHBondContact O-N 2.88Å |
| 33 | A | 90.4 | Very high | 95.1 | Very high | 36 Ų | 36 | 80 Ų | 80 | 30% | 0.298 | 40% | 0.4 | S | S | . | . | trans | -67.8 | 125.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | R29 P30 R31 N35 | R29-A33 PolarHBondContact NH1-O 3.38Å; P30-A33 HydrophobicContact CB-CB 4.18Å; P30-A33 VanDerWaalsContact O-CB 3.31Å; P30-A33 WeakPolarHBondContact O-CB 3.42Å; P30-A33 PolarHBondContact O-N 2.84Å; P30-A33 VanDerWaalsContact O-N 3.09Å; R31-A33 VanDerWaalsContact C-N 3.33Å; A33-N35 VanDerWaalsContact C-N 3.29Å | ||
| 34 | N | 86 | Confident | 95.1 | Very high | 162 Ų | 162 | 80.6 Ų | 80.6 | 87% | 0.866 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -69.3 | -30.9 | 178.4 | -68.4 | -13.5 | 0 | 0 | 0 | 112 | L32 | L32-N34 PolarHBondContact O-N 2.88Š|
| 35 | N | 91.8 | Very high | 95.1 | Very high | 132 Ų | 132 | 83.7 Ų | 83.7 | 71% | 0.706 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -90.8 | 145.6 | -175.2 | -63.9 | -15.9 | 0 | 0 | 0 | 111.5 | A33 | A33-N35 VanDerWaalsContact C-N 3.29Š|
| 36 | R | 93 | Very high | 95 | Very high | 172 Ų | 172 | 84.3 Ų | 84.3 | 65% | 0.649 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 143.6 | 166.9 | -77.6 | -169.8 | -172.4 | -156 | 8.2 | 109.7 | E54 | R36-E54 HydrophobicContact CB-CB 4Å; R36-E54 HydrophobicContact CG-CB 4.37Å; R36-E54 HydrophobicContact CG-CG 4.45Å; R36-E54 PolarHBondContact NH1-O 2.75Å; R36-E54 VanDerWaalsContact NH1-O 3.14Å |
| 37 | K | 96.5 | Very high | 95 | Very high | 65 Ų | 65 | 88.7 Ų | 88.7 | 28% | 0.283 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 136.4 | 177.9 | -177.2 | 175.9 | -176.7 | 94.6 | 0 | 110.2 | V13 L15 F28 R29 E54 | V13-K37 HydrophobicContact CG2-CB 4.32Å; V13-K37 HydrophobicContact CG2-CD 4.16Å; L15-K37 HydrophobicContact CD1-CD 4.25Å; L15-K37 HydrophobicContact CD1-CG 4.38Å; L15-K37 HydrophobicContact CD2-CB 4Å; L15-K37 HydrophobicContact CD2-CD 4.3Å; L15-K37 HydrophobicContact CD2-CG 4.17Å; F28-K37 WeakPolarHBondContact O-CD 3.24Å; F28-K37 WeakPolarHBondContact O-CE 3.25Å; F28-K37 PolarHBondContact O-NZ 2.76Å; R29-K37 HydrophobicContact CB-CB 4.37Å; R29-K37 HydrophobicContact CB-CD 4.49Å; K37-E54 HydrophobicContact CB-CB 4.42Å; K37-E54 PolarHBondContact N-OE2 3.44Å; K37-E54 WeakPolarHBondContact O-CB 3.39Å; K37-E54 PolarHBondContact O-N 3.08Å |
| 38 | E | 97.1 | Very high | 95.1 | Very high | 101 Ų | 101 | 93.8 Ų | 93.8 | 47% | 0.472 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 150.2 | 167.6 | -55.1 | -165.2 | 151.8 | 0 | 0 | 109.9 | L51 Y52 R53 | E38-L51 HydrophobicContact CB-CD1 4.04Å; E38-Y52 CarbonylContact C-O 3.52Å; E38-Y52 VanDerWaalsContact CA-O 3.25Å; E38-Y52 WeakPolarHBondContact CA-O 3.38Å; E38-R53 HydrophobicContact CG-CG 4.1Å; E38-R53 IonicContact OE1-CZ 3.5Å; E38-R53 IonicContact OE1-NE 2.75Å; E38-R53 PolarHBondContact OE1-NE 2.87Å; E38-R53 IonicContact OE1-NH2 3.51Å |
| 39 | K | 96.8 | Very high | 95.2 | Very high | 107 Ų | 107 | 94.2 Ų | 94.2 | 47% | 0.465 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 134.4 | 178 | -178.6 | 179.1 | 177 | -172.5 | 0 | 110.4 | L15 I25 Y52 | L15-K39 HydrophobicContact CD1-CB 4.02Å; I25-K39 HydrophobicContact CD1-CD 4.47Å; K39-Y52 PolarHBondContact N-O 2.87Å; K39-Y52 WeakPolarHBondContact O-CB 3.43Å; K39-Y52 PolarHBondContact O-N 2.92Å |
| 40 | V | 98.1 | Very high | 95.4 | Very high | 98 Ų | 98 | 92.9 Ų | 92.9 | 59% | 0.594 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81 | 127.3 | 165.9 | 179.7 | 0 | 0 | 0 | 0 | 109.1 | N49 V50 L51 | V40-N49 HydrophobicContact CG1-CB 4.03Å; V40-V50 WeakPolarHBondContact CA-O 3.41Å; V40-L51 HydrophobicContact CG2-CD1 4.19Å |
| 41 | A | 97.8 | Very high | 95.6 | Very high | 18 Ų | 18 | 92.2 Ų | 92.2 | 15% | 0.149 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 162.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | I25 D43 N49 V50 Y52 | I25-A41 HydrophobicContact CD1-CB 3.87Å; A41-D43 PolarHBondContact O-N 3.35Å; A41-N49 WeakPolarHBondContact O-CA 3.41Å; A41-V50 PolarHBondContact N-O 2.87Å; A41-V50 PolarHBondContact O-N 3.45Å; A41-Y52 HydrophobicContact CB-CD2 3.87Å; A41-Y52 HydrophobicContact CB-CE2 3.82Å; A41-Y52 WeakPolarHBondContact O-CE2 3.37Å |
| 42 | F | 98.2 | Very high | 96 | Very high | 111 Ų | 111 | 87.1 Ų | 87.1 | 49% | 0.487 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 129.2 | 176.3 | -171.6 | -103 | 0 | 0 | 0 | 110.5 | P44 Q47 N49 Y52 | F42-P44 HydrophobicContact CE1-CB 4.26Å; F42-Q47 HydrophobicContact CZ-CB 4.33Å; F42-N49 VanDerWaalsContact CA-OD1 3.24Å; F42-N49 WeakPolarHBondContact CA-OD1 3.24Å; F42-N49 WeakPolarHBondContact CB-OD1 3.22Å; F42-N49 PolarHBondContact N-OD1 3.27Å; F42-N49 VanDerWaalsContact N-OD1 3.12Å; F42-Y52 PolarHBondContact O-OH 3.07Å |
| 43 | D | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 86 Ų | 86 | 0% | 0 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 113.3 | 169.9 | -179.1 | -12 | 0 | 0 | 0 | 109.2 | S17 S19 S21 H23 A41 L45 V46 Q47 Q48 V50 Y52 | S17-D43 VanDerWaalsContact CB-OD2 3.25Å; S17-D43 WeakPolarHBondContact CB-OD2 3.34Å; S17-D43 PolarHBondContact OG-OD2 3.24Å; S19-D43 PolarHBondContact OG-OD2 3Å; S21-D43 WeakPolarHBondContact CB-OD2 3.43Å; S21-D43 PolarHBondContact OG-OD2 2.91Å; H23-D43 WeakPolarHBondContact CB-OD1 3.35Å; H23-D43 IonicContact CG-OD1 3.89Å; A41-D43 PolarHBondContact O-N 3.35Å; D43-L45 PolarHBondContact O-N 3.09Å; D43-L45 WeakPolarHBondContact OD1-CB 3.25Å; D43-L45 PolarHBondContact OD1-N 2.81Å; D43-V46 HydrophobicContact CB-CG2 3.57Å; D43-V46 PolarHBondContact O-N 3.05Å; D43-Q47 WeakPolarHBondContact O-CA 3.25Å; D43-Q47 PolarHBondContact O-N 2.84Å; D43-Q48 PolarHBondContact N-O 3.09Å; D43-Q48 PolarHBondContact O-N 2.83Å; D43-V50 HydrophobicContact CB-CG1 4.49Å; D43-V50 HydrophobicContact CB-CG2 3.51Å; D43-Y52 VanDerWaalsContact CA-OH 3.23Å; D43-Y52 WeakPolarHBondContact CA-OH 3.42Å; D43-Y52 HydrophobicContact CB-CE2 4.35Å; D43-Y52 WeakPolarHBondContact CB-OH 3.34Å |
| 44 | P | 98.1 | Very high | 96.7 | Very high | 64 Ų | 64 | 84.9 Ų | 84.9 | 42% | 0.416 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -19.8 | -177.2 | 29.5 | -35.1 | 0 | 0 | 0 | 113.3 | F42 | F42-P44 HydrophobicContact CE1-CB 4.26Š|
| 45 | L | 97.5 | Very high | 97.2 | Very high | 114 Ų | 114 | 80.9 Ų | 80.9 | 60% | 0.597 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -25.4 | -179 | -59 | -176.6 | 0 | 0 | 0 | 112.4 | S21 H23 D43 | S21-L45 WeakPolarHBondContact O-CD1 3.41Å; H23-L45 HydrophobicContact CB-CD1 3.97Å; H23-L45 HydrophobicContact CB-CG 4.33Å; D43-L45 PolarHBondContact O-N 3.09Å; D43-L45 WeakPolarHBondContact OD1-CB 3.25Å; D43-L45 PolarHBondContact OD1-N 2.81Å |
| 46 | V | 96.9 | Very high | 97.5 | Very high | 49 Ų | 49 | 82.4 Ų | 82.4 | 30% | 0.297 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | -0.4 | 173.3 | -62.7 | 0 | 0 | 0 | 0 | 113.3 | D43 Q48 V50 | D43-V46 HydrophobicContact CB-CG2 3.57Å; D43-V46 PolarHBondContact O-N 3.05Å; V46-Q48 HydrophobicContact CB-CG 4.1Å; V46-Q48 HydrophobicContact CG2-CG 3.6Å; V46-Q48 PolarHBondContact O-N 3.3Å; V46-V50 HydrophobicContact CG2-CG1 3.82Å |
| 47 | Q | 97.4 | Very high | 97.6 | Very high | 161 Ų | 161 | 78.5 Ų | 78.5 | 75% | 0.752 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 35.7 | 179.1 | -59.7 | -167.9 | -27.2 | 0 | 0 | 114.8 | F42 D43 | F42-Q47 HydrophobicContact CZ-CB 4.33Å; D43-Q47 WeakPolarHBondContact O-CA 3.25Å; D43-Q47 PolarHBondContact O-N 2.84Å |
| 48 | Q | 97.9 | Very high | 97.7 | Very high | 111 Ų | 111 | 79 Ų | 79 | 52% | 0.519 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 162.3 | 179.3 | 59.4 | 179.9 | -22.5 | 0 | 0 | 111.4 | D43 V46 V50 | D43-Q48 PolarHBondContact N-O 3.09Å; D43-Q48 PolarHBondContact O-N 2.83Å; V46-Q48 HydrophobicContact CB-CG 4.1Å; V46-Q48 HydrophobicContact CG2-CG 3.6Å; V46-Q48 PolarHBondContact O-N 3.3Å; Q48-V50 HydrophobicContact CG-CG1 3.79Å; Q48-V50 PolarHBondContact O-N 2.75Å |
| 49 | N | 98.3 | Very high | 97.6 | Very high | 110 Ų | 110 | 81.4 Ų | 81.4 | 59% | 0.588 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 125.4 | 171 | -71.7 | -42.4 | 0 | 0 | 0 | 109.7 | V40 A41 F42 | V40-N49 HydrophobicContact CG1-CB 4.03Å; A41-N49 WeakPolarHBondContact O-CA 3.41Å; F42-N49 VanDerWaalsContact CA-OD1 3.24Å; F42-N49 WeakPolarHBondContact CA-OD1 3.24Å; F42-N49 WeakPolarHBondContact CB-OD1 3.22Å; F42-N49 PolarHBondContact N-OD1 3.27Å; F42-N49 VanDerWaalsContact N-OD1 3.12Å |
| 50 | V | 98.1 | Very high | 97.5 | Very high | 17 Ų | 17 | 77.8 Ų | 77.8 | 10% | 0.103 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 162.8 | -179.3 | -58.6 | 0 | 0 | 0 | 0 | 110.4 | S17 V40 A41 D43 V46 Q48 Y52 | S17-V50 VanDerWaalsContact OG-CG2 3.23Å; S17-V50 WeakPolarHBondContact OG-CG2 3.31Å; V40-V50 WeakPolarHBondContact CA-O 3.41Å; A41-V50 PolarHBondContact N-O 2.87Å; A41-V50 PolarHBondContact O-N 3.45Å; D43-V50 HydrophobicContact CB-CG1 4.49Å; D43-V50 HydrophobicContact CB-CG2 3.51Å; V46-V50 HydrophobicContact CG2-CG1 3.82Å; Q48-V50 HydrophobicContact CG-CG1 3.79Å; Q48-V50 PolarHBondContact O-N 2.75Å; V50-Y52 HydrophobicContact CG2-CD2 4.04Å; V50-Y52 HydrophobicContact CG2-CE2 3.52Å |
| 51 | L | 98.5 | Very high | 97.1 | Very high | 46 Ų | 46 | 75.7 Ų | 75.7 | 24% | 0.241 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 134.3 | 171.4 | -172.6 | 65 | 0 | 0 | 0 | 109.1 | T18 E38 V40 R53 | T18-L51 WeakPolarHBondContact CB-O 3.38Å; T18-L51 HydrophobicContact CG2-CB 4.16Å; T18-L51 HydrophobicContact CG2-CD2 4.37Å; T18-L51 HydrophobicContact CG2-CG 4.26Å; T18-L51 VanDerWaalsContact CG2-O 3.3Å; T18-L51 WeakPolarHBondContact CG2-O 3.34Å; T18-L51 PolarHBondContact N-O 2.84Å; T18-L51 PolarHBondContact OG1-O 2.9Å; E38-L51 HydrophobicContact CB-CD1 4.04Å; V40-L51 HydrophobicContact CG2-CD1 4.19Å; L51-R53 HydrophobicContact CD2-CG 4.22Å; L51-R53 HydrophobicContact CG-CG 4.31Å |
| 52 | Y | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 134.3 | 166.9 | -75 | -107.2 | 0 | 0 | 0 | 108.6 | L15 E16 S17 H23 I25 E38 K39 A41 F42 D43 V50 | L15-Y52 HydrophobicContact CB-CD1 4.38Å; E16-Y52 VanDerWaalsContact C-CD1 3.46Å; E16-Y52 CarbonylContact O-C 3.56Å; E16-Y52 VanDerWaalsContact O-CA 3.24Å; E16-Y52 WeakPolarHBondContact O-CA 3.49Å; S17-Y52 VanDerWaalsContact N-CD1 3.3Å; H23-Y52 AromaticContact ND1-CE1 3.68Å; H23-Y52 AromaticContact ND1-CZ 3.62Å; H23-Y52 PolarHBondContact ND1-OH 2.9Å; H23-Y52 WeakPolarHBondContact O-CE1 3.3Å; I25-Y52 HydrophobicContact CB-CE1 4.47Å; I25-Y52 HydrophobicContact CD1-CD1 3.75Å; I25-Y52 HydrophobicContact CD1-CD2 4.08Å; I25-Y52 HydrophobicContact CD1-CE1 4.12Å; I25-Y52 HydrophobicContact CD1-CE2 4.45Å; I25-Y52 HydrophobicContact CD1-CG 3.71Å; I25-Y52 HydrophobicContact CG1-CD1 3.61Å; I25-Y52 HydrophobicContact CG1-CE1 3.99Å; I25-Y52 HydrophobicContact CG1-CG 4.06Å; I25-Y52 HydrophobicContact CG2-CD1 4.41Å; I25-Y52 HydrophobicContact CG2-CE1 3.89Å; E38-Y52 CarbonylContact C-O 3.52Å; E38-Y52 VanDerWaalsContact CA-O 3.25Å; E38-Y52 WeakPolarHBondContact CA-O 3.38Å; K39-Y52 PolarHBondContact N-O 2.87Å; K39-Y52 WeakPolarHBondContact O-CB 3.43Å; K39-Y52 PolarHBondContact O-N 2.92Å; A41-Y52 HydrophobicContact CB-CD2 3.87Å; A41-Y52 HydrophobicContact CB-CE2 3.82Å; A41-Y52 WeakPolarHBondContact O-CE2 3.37Å; F42-Y52 PolarHBondContact O-OH 3.07Å; D43-Y52 VanDerWaalsContact CA-OH 3.23Å; D43-Y52 WeakPolarHBondContact CA-OH 3.42Å; D43-Y52 HydrophobicContact CB-CE2 4.35Å; D43-Y52 WeakPolarHBondContact CB-OH 3.34Å; V50-Y52 HydrophobicContact CG2-CD2 4.04Å; V50-Y52 HydrophobicContact CG2-CE2 3.52Å |
| 53 | R | 98.1 | Very high | 95.8 | Very high | 133 Ų | 133 | 83.5 Ų | 83.5 | 50% | 0.502 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 144.4 | 178.8 | -72.6 | -175.6 | 161.7 | 163 | 2.8 | 110.7 | L15 E16 T18 E38 L51 L55 | L15-R53 CarbonylContact C-O 3.56Å; L15-R53 VanDerWaalsContact CA-O 3.25Å; L15-R53 WeakPolarHBondContact CA-O 3.12Å; E16-R53 PolarHBondContact N-O 3.17Å; E16-R53 PolarHBondContact O-N 3.21Å; T18-R53 HydrophobicContact CG2-CB 4.25Å; T18-R53 HydrophobicContact CG2-CG 3.68Å; E38-R53 HydrophobicContact CG-CG 4.1Å; E38-R53 IonicContact OE1-CZ 3.5Å; E38-R53 IonicContact OE1-NE 2.75Å; E38-R53 PolarHBondContact OE1-NE 2.87Å; E38-R53 IonicContact OE1-NH2 3.51Å; L51-R53 HydrophobicContact CD2-CG 4.22Å; L51-R53 HydrophobicContact CG-CG 4.31Å; R53-L55 PolarHBondContact O-N 2.87Å |
| 54 | E | 97.9 | Very high | 94.9 | Very high | 11 Ų | 11 | 88.2 Ų | 88.2 | 5% | 0.051 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 113.6 | 176.2 | 173.3 | 175.7 | 164 | 0 | 0 | 111.4 | V13 L15 R29 R36 K37 | V13-E54 HydrophobicContact CB-CG 3.97Å; V13-E54 HydrophobicContact CG1-CG 4.18Å; V13-E54 WeakPolarHBondContact CG1-OE1 3.4Å; V13-E54 HydrophobicContact CG2-CG 4.42Å; L15-E54 VanDerWaalsContact CD2-CA 3.5Å; L15-E54 HydrophobicContact CD2-CB 3.7Å; R29-E54 VanDerWaalsContact CD-OE2 3.22Å; R29-E54 WeakPolarHBondContact CD-OE2 3.5Å; R29-E54 IonicContact CZ-OE1 3.8Å; R29-E54 IonicContact CZ-OE2 3.38Å; R29-E54 VanDerWaalsContact NE-CD 3.31Å; R29-E54 IonicContact NE-OE1 3.73Å; R29-E54 PolarHBondContact NE-OE1 3.38Å; R29-E54 IonicContact NE-OE2 3.05Å; R29-E54 PolarHBondContact NE-OE2 3.38Å; R29-E54 IonicContact NH2-OE1 2.75Å; R29-E54 PolarHBondContact NH2-OE1 2.94Å; R29-E54 IonicContact NH2-OE2 2.81Å; R36-E54 HydrophobicContact CB-CB 4Å; R36-E54 HydrophobicContact CG-CB 4.37Å; R36-E54 HydrophobicContact CG-CG 4.45Å; R36-E54 PolarHBondContact NH1-O 2.75Å; R36-E54 VanDerWaalsContact NH1-O 3.14Å; K37-E54 HydrophobicContact CB-CB 4.42Å; K37-E54 PolarHBondContact N-OE2 3.44Å; K37-E54 WeakPolarHBondContact O-CB 3.39Å; K37-E54 PolarHBondContact O-N 3.08Å |
| 55 | L | 97.1 | Very high | 93.9 | Very high | 79 Ų | 79 | 89.7 Ų | 89.7 | 41% | 0.414 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | -53.2 | 174.3 | 179.2 | 61 | 0 | 0 | 0 | 109.7 | L14 E16 R53 | L14-L55 HydrophobicContact CD2-CD2 4.21Å; L14-L55 PolarHBondContact O-N 2.72Å; E16-L55 HydrophobicContact CB-CB 4.17Å; E16-L55 HydrophobicContact CB-CD2 4.32Å; R53-L55 PolarHBondContact O-N 2.87Å |
| 56 | R | 96.8 | Very high | 92.3 | Very high | 163 Ų | 163 | 89.8 Ų | 89.8 | 62% | 0.615 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 156.9 | -178.7 | 62.6 | 179.3 | 178.8 | 158.7 | -1.4 | 113.4 | V13 L14 | V13-R56 CarbonylContact C-O 3.6Å; V13-R56 WeakPolarHBondContact CA-O 3.45Å; L14-R56 HydrophobicContact CB-CG 4.17Å; L14-R56 PolarHBondContact N-O 2.85Å; L14-R56 PolarHBondContact O-N 3.34Å |
| 57 | K | 96.4 | Very high | 92.1 | Very high | 91 Ų | 91 | 91.8 Ų | 91.8 | 40% | 0.396 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 131.9 | 165.3 | 179.5 | -177.7 | 172.9 | -176 | 0 | 110.1 | V11 S60 | V11-K57 HydrophobicContact CB-CD 4.43Å; V11-K57 HydrophobicContact CB-CG 4.37Å; V11-K57 HydrophobicContact CG1-CD 4.23Å; K57-S60 WeakPolarHBondContact CE-OG 3.15Å; K57-S60 PolarHBondContact NZ-OG 3.1Å |
| 58 | I | 97.3 | Very high | 91.8 | Very high | 76 Ų | 76 | 88.2 Ų | 88.2 | 39% | 0.39 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | -61.2 | 173.5 | -61.2 | 171.6 | 0 | 0 | 0 | 109 | M12 L14 V26 | M12-I58 HydrophobicContact CB-CB 4.49Å; M12-I58 HydrophobicContact CE-CD1 3.86Å; M12-I58 HydrophobicContact CG-CB 4.31Å; M12-I58 HydrophobicContact CG-CD1 4.12Å; M12-I58 PolarHBondContact O-N 3.3Å; M12-I58 HydrophobicContact SD-CB 4.37Å; M12-I58 HydrophobicContact SD-CD1 4.29Å; M12-I58 HydrophobicContact SD-CG2 4.14Å; L14-I58 HydrophobicContact CB-CD1 3.98Å; L14-I58 HydrophobicContact CB-CG1 4.05Å; L14-I58 HydrophobicContact CD1-CD1 4.32Å; V26-I58 HydrophobicContact CG2-CD1 4.34Å |
| 59 | R | 95.7 | Very high | 91.5 | Very high | 151 Ų | 151 | 86.9 Ų | 86.9 | 57% | 0.57 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 166.5 | -178.3 | 64.4 | -175.6 | -67.8 | -143.9 | 2.1 | 111.4 | V11 M12 | V11-R59 WeakPolarHBondContact CA-O 3.4Å; M12-R59 HydrophobicContact CB-CG 4.06Å; M12-R59 PolarHBondContact N-O 3.14Å; M12-R59 PolarHBondContact O-N 2.94Å; M12-R59 HydrophobicContact SD-CG 4.1Å |
| 60 | S | 94.3 | Very high | 91.1 | Very high | 30 Ų | 30 | 85.5 Ų | 85.5 | 21% | 0.21 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 139.4 | 169.1 | -42.1 | 0 | 0 | 0 | 0 | 109.3 | R31 K57 | R31-S60 PolarHBondContact NH2-OG 3.04Å; K57-S60 WeakPolarHBondContact CE-OG 3.15Å; K57-S60 PolarHBondContact NZ-OG 3.1Å |
| 61 | L | 90.6 | Very high | 90.7 | Very high | 55 Ų | 55 | 89.8 Ų | 89.8 | 29% | 0.288 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -84.1 | 137 | 174.4 | -58.1 | -177.8 | 0 | 0 | 0 | 109.3 | T10 M12 F28 | T10-L61 HydrophobicContact CG2-CD1 3.98Å; T10-L61 PolarHBondContact O-N 2.61Å; M12-L61 HydrophobicContact CB-CD2 4.42Å; F28-L61 HydrophobicContact CD1-CD1 3.72Å; F28-L61 HydrophobicContact CE1-CD1 3.77Å |
| 62 | K | 86 | Confident | 90.1 | Very high | 171 Ų | 171 | 92.7 Ų | 92.7 | 74% | 0.743 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -98 | 153.8 | 169.9 | -66 | -173.3 | 178.2 | -174.9 | 0 | 108.5 | ||
| 63 | K | 81.5 | Confident | 89.5 | Confident | 122 Ų | 122 | 99.4 Ų | 99.4 | 53% | 0.53 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 139.7 | 170.9 | -174.2 | -177.6 | 177.5 | -176.9 | 0 | 107.6 | F7 G65 S66 | F7-K63 HydrophobicContact CD1-CB 4.27Å; F7-K63 HydrophobicContact CD2-CB 4.3Å; F7-K63 HydrophobicContact CD2-CG 4.25Å; F7-K63 HydrophobicContact CE1-CB 4.2Å; F7-K63 HydrophobicContact CE2-CB 4.25Å; F7-K63 HydrophobicContact CE2-CG 4.44Å; F7-K63 HydrophobicContact CG-CB 4.31Å; F7-K63 HydrophobicContact CG-CD 4.49Å; F7-K63 HydrophobicContact CG-CG 4.5Å; F7-K63 HydrophobicContact CZ-CB 4.2Å; K63-G65 PolarHBondContact O-N 3.23Å; K63-S66 WeakPolarHBondContact CB-OG 3.46Å; K63-S66 PolarHBondContact O-N 3.27Å; K63-S66 PolarHBondContact O-OG 3Å |
| 64 | A | 78.9 | Confident | 88.9 | Confident | 99 Ų | 99 | 96.8 Ų | 96.8 | 82% | 0.818 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 126.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||
| 65 | G | 78.5 | Confident | 88.1 | Confident | 94 Ų | 94 | 103.9 Ų | 103.9 | 97% | 0.969 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 83.8 | 11.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | K63 | K63-G65 PolarHBondContact O-N 3.23Š|
| 66 | S | 64.3 | Low | 87.3 | Confident | 116 Ų | 116 | 106.2 Ų | 106.2 | 81% | 0.811 | 58% | 0.576 | S | S | * | * | trans | -116.5 | 0 | 168.3 | 69.4 | 0 | 0 | 0 | 0 | 111.9 | K63 | K63-S66 WeakPolarHBondContact CB-OG 3.46Å; K63-S66 PolarHBondContact O-N 3.27Å; K63-S66 PolarHBondContact O-OG 3Å |
Retrieved 66 of 66 residues in 80.2 ms
(Link to these results)