| 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 | P | 50.3 | Low | 72 | Confident | 157 Ų | 157 | 84.3 Ų | 84.3 | 100% | 1.019 | 52% | 0.515 | S | S | * | . | 0 | 113.9 | 0 | -3.9 | 24.1 | 0 | 0 | 0 | 109.9 | |||||
| 2 | G | 60.1 | Low | 73.7 | Confident | 37 Ų | 37 | 78 Ų | 78 | 38% | 0.381 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 117.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | S100 T102 | G2-S100 PolarHBondContact N-O 3.4Å; G2-T102 PolarHBondContact O-N 2.59Å |
| 3 | L | 65.2 | Low | 75.3 | Confident | 146 Ų | 146 | 77.1 Ų | 77.1 | 76% | 0.764 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 121.5 | 166.5 | -176.6 | 70.4 | 0 | 0 | 0 | 107.4 | ||
| 4 | V | 68.2 | Low | 76.6 | Confident | 20 Ų | 20 | 72.4 Ų | 72.4 | 12% | 0.121 | 44% | 0.443 | C | S | . | . | trans | -123.5 | 136.6 | -178.3 | -71.9 | 0 | 0 | 0 | 0 | 108.3 | L10 L77 V101 T102 V103 | V4-L10 HydrophobicContact CG1-CD1 4.49Å; V4-L77 HydrophobicContact CB-CD1 3.85Å; V4-L77 HydrophobicContact CG1-CD1 4.43Å; V4-L77 HydrophobicContact CG2-CD1 3.53Å; V4-V101 HydrophobicContact CG2-CG1 3.68Å; V4-T102 WeakPolarHBondContact CG2-O 3.42Å; V4-T102 PolarHBondContact N-O 3.35Å; V4-T102 VanDerWaalsContact N-O 3.08Å; V4-V103 HydrophobicContact CG2-CB 4.37Å; V4-V103 HydrophobicContact CG2-CG2 3.83Å; V4-V103 WeakPolarHBondContact O-CA 3.39Å | ||
| 5 | Q | 69.9 | Low | 77.8 | Confident | 135 Ų | 135 | 73.7 Ų | 73.7 | 63% | 0.631 | 45% | 0.451 | S | S | * | . | trans | -76.3 | 150.7 | 179.2 | -70.3 | -175 | -9.3 | 0 | 0 | 111 | S7 Q8 | Q5-S7 PolarHBondContact O-N 2.99Å; Q5-Q8 HydrophobicContact CB-CG 4.12Å; Q5-Q8 WeakPolarHBondContact O-CB 3.49Å; Q5-Q8 PolarHBondContact O-N 3.31Å | ||
| 6 | P | 62.8 | Low | 78.5 | Confident | 82 Ų | 82 | 69.9 Ų | 69.9 | 53% | 0.532 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | 139.1 | 169.5 | -24 | 32 | 0 | 0 | 0 | 110.7 | Q8 V103 | P6-Q8 VanDerWaalsContact C-N 3.27Å; P6-Q8 PolarHBondContact O-N 3.24Å; P6-V103 HydrophobicContact CB-CG1 4.46Å; P6-V103 HydrophobicContact CG-CG1 4.18Å |
| 7 | S | 67.8 | Low | 79 | Confident | 102 Ų | 102 | 72 Ų | 72 | 71% | 0.713 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | -3.5 | -174.9 | -38.5 | 0 | 0 | 0 | 0 | 116.7 | Q5 L77 | Q5-S7 PolarHBondContact O-N 2.99Å; S7-L77 PolarHBondContact N-O 2.74Å |
| 8 | Q | 81.3 | Confident | 79.4 | Confident | 90 Ų | 90 | 72.6 Ų | 72.6 | 42% | 0.421 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 163.7 | 166.4 | -72.6 | -175.5 | -26.9 | 0 | 0 | 111.1 | Q5 P6 L77 | Q5-Q8 HydrophobicContact CB-CG 4.12Å; Q5-Q8 WeakPolarHBondContact O-CB 3.49Å; Q5-Q8 PolarHBondContact O-N 3.31Å; P6-Q8 VanDerWaalsContact C-N 3.27Å; P6-Q8 PolarHBondContact O-N 3.24Å; Q8-L77 WeakPolarHBondContact O-CD1 3.04Å; Q8-L77 VanDerWaalsContact O-CG 3.3Å; Q8-L77 WeakPolarHBondContact O-CG 3.21Å; Q8-L77 PolarHBondContact O-N 3Å |
| 9 | S | 86.3 | Confident | 79.7 | Confident | 63 Ų | 63 | 70.7 Ų | 70.7 | 44% | 0.441 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -98.9 | 129.4 | 172.9 | 52.6 | 0 | 0 | 0 | 0 | 110.6 | M74 N75 | S9-M74 CarbonylContact C-O 3.59Å; S9-M74 VanDerWaalsContact CA-O 3.23Å; S9-M74 WeakPolarHBondContact CA-O 3.35Å; S9-N75 WeakPolarHBondContact CB-OD1 3.03Å |
| 10 | L | 88.1 | Confident | 80.2 | Confident | 14 Ų | 14 | 69.8 Ų | 69.8 | 7% | 0.073 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 136.2 | 173.3 | 174.2 | 66.4 | 0 | 0 | 0 | 109.2 | V4 I12 F72 K73 M74 L77 Y85 V101 | V4-L10 HydrophobicContact CG1-CD1 4.49Å; L10-I12 HydrophobicContact CD1-CG1 4Å; L10-I12 HydrophobicContact CD2-CD1 3.97Å; L10-I12 HydrophobicContact CD2-CG1 4.14Å; L10-I12 HydrophobicContact CG-CD1 4.28Å; L10-I12 HydrophobicContact CG-CG1 3.88Å; L10-F72 HydrophobicContact CD2-CE1 4.47Å; L10-K73 CarbonylContact O-C 3.55Å; L10-K73 VanDerWaalsContact O-CA 3.24Å; L10-K73 WeakPolarHBondContact O-CA 3.23Å; L10-M74 HydrophobicContact CB-CB 4.46Å; L10-M74 PolarHBondContact N-O 3.11Å; L10-M74 PolarHBondContact O-N 2.91Å; L10-L77 HydrophobicContact CB-CD1 3.62Å; L10-L77 HydrophobicContact CB-CD2 3.9Å; L10-L77 HydrophobicContact CB-CG 4.16Å; L10-L77 HydrophobicContact CD2-CD2 4.22Å; L10-Y85 HydrophobicContact CD2-CE2 4.28Å; L10-V101 HydrophobicContact CD1-CG1 4.07Å; L10-V101 HydrophobicContact CD1-CG2 3.83Å; L10-V101 HydrophobicContact CD2-CB 4.47Å; L10-V101 HydrophobicContact CD2-CG1 4.04Å; L10-V101 HydrophobicContact CD2-CG2 3.98Å |
| 11 | S | 91.4 | Very high | 80.8 | Confident | 81 Ų | 81 | 66.6 Ų | 66.6 | 57% | 0.566 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 120.2 | 169.7 | -172.8 | 0 | 0 | 0 | 0 | 109.1 | F72 | S11-F72 CarbonylContact C-O 3.57Å; S11-F72 WeakPolarHBondContact CA-O 3.27Å |
| 12 | I | 92.4 | Very high | 82.8 | Confident | 9 Ų | 9 | 63 Ų | 63 | 5% | 0.046 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 133 | 177.1 | -49.1 | -178.2 | 0 | 0 | 0 | 108.3 | L10 W28 F71 F72 Y85 V101 | L10-I12 HydrophobicContact CD1-CG1 4Å; L10-I12 HydrophobicContact CD2-CD1 3.97Å; L10-I12 HydrophobicContact CD2-CG1 4.14Å; L10-I12 HydrophobicContact CG-CD1 4.28Å; L10-I12 HydrophobicContact CG-CG1 3.88Å; I12-W28 HydrophobicContact CB-CH2 3.96Å; I12-W28 HydrophobicContact CB-CZ3 4.05Å; I12-W28 HydrophobicContact CD1-CZ3 4.5Å; I12-W28 HydrophobicContact CG2-CH2 3.71Å; I12-W28 HydrophobicContact CG2-CZ3 3.75Å; I12-F71 WeakPolarHBondContact O-CA 3.32Å; I12-F72 HydrophobicContact CB-CB 4.47Å; I12-F72 HydrophobicContact CB-CD1 4.44Å; I12-F72 HydrophobicContact CD1-CD1 4.12Å; I12-F72 HydrophobicContact CG1-CD1 4.2Å; I12-F72 PolarHBondContact N-O 3.11Å; I12-F72 PolarHBondContact O-N 2.81Å; I12-Y85 HydrophobicContact CD1-CD1 4.03Å; I12-Y85 HydrophobicContact CD1-CD2 4.11Å; I12-Y85 HydrophobicContact CD1-CG 3.57Å; I12-V101 HydrophobicContact CD1-CG2 4.39Å |
| 13 | T | 94.7 | Very high | 84.3 | Confident | 66 Ų | 66 | 64.8 Ų | 64.8 | 41% | 0.405 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 127.6 | 172.8 | -55.4 | 0 | 0 | 0 | 0 | 109.3 | Q69 F71 | T13-Q69 HydrophobicContact CG2-CB 4.16Å; T13-Q69 HydrophobicContact CG2-CG 3.92Å; T13-F71 HydrophobicContact CG2-CD1 3.93Å; T13-F71 HydrophobicContact CG2-CE1 3.59Å; T13-F71 HydrophobicContact CG2-CZ 4.37Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.45Å; T13-F71 WeakPolarHBondContact OG1-CE1 3.33Å |
| 14 | C | 93.6 | Very high | 85.6 | Confident | 12 Ų | 12 | 62.3 Ų | 62.3 | 8% | 0.081 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 110.4 | 169.2 | 176.3 | 0 | 0 | 0 | 0 | 108.7 | W28 Q69 V70 C87 | C14-W28 HydrophobicContact CB-CH2 3.64Å; C14-W28 HydrophobicContact CB-CZ2 3.73Å; C14-Q69 CarbonylContact O-C 3.59Å; C14-Q69 WeakPolarHBondContact O-CA 3.39Å; C14-V70 HydrophobicContact CB-CB 4.47Å; C14-V70 PolarHBondContact N-O 2.8Å; C14-V70 PolarHBondContact O-N 3.13Å; C14-C87 HydrophobicContact CB-CB 3.52Å; C14-C87 WeakPolarHBondContact CB-SG 3.28Å; C14-C87 WeakPolarHBondContact SG-CB 3.37Å; C14-C87 CovalentContact SG-SG 2.03Å; C14-C87 PolarHBondContact SG-SG 3.06Å |
| 15 | T | 94.1 | Very high | 86.8 | Confident | 92 Ų | 92 | 61.5 Ų | 61.5 | 56% | 0.564 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 119.8 | 171.9 | -54.1 | 0 | 0 | 0 | 0 | 108.4 | Q69 | T15-Q69 HydrophobicContact CG2-CG 4.31Å; T15-Q69 PolarHBondContact OG1-NE2 3.39Å |
| 16 | V | 89.9 | Confident | 88 | Confident | 13 Ų | 13 | 55.2 Ų | 55.2 | 8% | 0.079 | 36% | 0.356 | C | S | . | . | trans | -91.3 | 140.8 | 179.5 | -55.6 | 0 | 0 | 0 | 0 | 110.6 | F19 L21 V26 S68 | V16-F19 HydrophobicContact CB-CE1 3.84Å; V16-F19 HydrophobicContact CB-CE2 4.06Å; V16-F19 HydrophobicContact CB-CZ 3.59Å; V16-F19 HydrophobicContact CG1-CE1 4.06Å; V16-F19 HydrophobicContact CG1-CE2 4Å; V16-F19 HydrophobicContact CG1-CZ 3.42Å; V16-F19 VanDerWaalsContact CG1-CZ 3.42Å; V16-F19 HydrophobicContact CG2-CE2 4.18Å; V16-F19 HydrophobicContact CG2-CZ 4.22Å; V16-L21 HydrophobicContact CB-CD2 4.36Å; V16-L21 HydrophobicContact CG1-CD2 3.89Å; V16-L21 HydrophobicContact CG2-CD1 4.16Å; V16-L21 HydrophobicContact CG2-CD2 3.58Å; V16-L21 HydrophobicContact CG2-CG 3.63Å; V16-V26 HydrophobicContact CG1-CG2 4.31Å; V16-S68 WeakPolarHBondContact CG2-O 3.33Å; V16-S68 PolarHBondContact N-O 3.45Å | ||
| 17 | S | 87.3 | Confident | 89.5 | Confident | 105 Ų | 105 | 53 Ų | 53 | 73% | 0.734 | 34% | 0.339 | S | S | * | . | trans | -136.5 | 145.4 | 172.1 | 59.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 18 | G | 84.8 | Confident | 90.9 | Very high | 83 Ų | 83 | 48.2 Ų | 48.2 | 86% | 0.856 | 31% | 0.305 | S | S | * | . | S | Bend | trans | 87.4 | -4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 19 | F | 86.3 | Confident | 91.5 | Very high | 36 Ų | 36 | 44.4 Ų | 44.4 | 16% | 0.158 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -152 | 162.5 | 170.4 | 67.3 | -88.4 | 0 | 0 | 0 | 112.3 | V16 L21 Y24 V26 R89 | V16-F19 HydrophobicContact CB-CE1 3.84Å; V16-F19 HydrophobicContact CB-CE2 4.06Å; V16-F19 HydrophobicContact CB-CZ 3.59Å; V16-F19 HydrophobicContact CG1-CE1 4.06Å; V16-F19 HydrophobicContact CG1-CE2 4Å; V16-F19 HydrophobicContact CG1-CZ 3.42Å; V16-F19 VanDerWaalsContact CG1-CZ 3.42Å; V16-F19 HydrophobicContact CG2-CE2 4.18Å; V16-F19 HydrophobicContact CG2-CZ 4.22Å; F19-L21 HydrophobicContact CE2-CD2 4.03Å; F19-Y24 HydrophobicContact CB-CD2 3.92Å; F19-Y24 HydrophobicContact CB-CE2 4.26Å; F19-Y24 HydrophobicContact CD2-CD2 4.03Å; F19-Y24 HydrophobicContact CD2-CG 4.29Å; F19-Y24 HydrophobicContact CG-CD2 4.35Å; F19-V26 HydrophobicContact CE2-CG2 4Å; F19-V26 HydrophobicContact CZ-CG2 4.09Å; F19-R89 HydrophobicContact CD1-CG 4.23Å; F19-R89 HydrophobicContact CD2-CG 4.04Å; F19-R89 HydrophobicContact CE1-CB 3.99Å; F19-R89 HydrophobicContact CE1-CG 4.05Å; F19-R89 HydrophobicContact CE2-CB 4.38Å; F19-R89 HydrophobicContact CE2-CG 3.84Å; F19-R89 HydrophobicContact CG-CG 4.22Å; F19-R89 HydrophobicContact CZ-CB 3.88Å; F19-R89 HydrophobicContact CZ-CG 3.83Å |
| 20 | S | 90.3 | Very high | 91.9 | Very high | 52 Ų | 52 | 41.9 Ų | 41.9 | 36% | 0.364 | 27% | 0.269 | S | S | . | . | trans | -94.4 | 134.5 | 176.1 | -177.5 | 0 | 0 | 0 | 0 | 112.5 | T22 S23 Y24 | S20-T22 PolarHBondContact O-N 2.93Å; S20-T22 PolarHBondContact OG-N 3.32Å; S20-T22 PolarHBondContact OG-OG1 3.01Å; S20-S23 PolarHBondContact O-N 3.09Å; S20-Y24 PolarHBondContact O-N 3Å; S20-Y24 VanDerWaalsContact O-N 3.13Å | ||
| 21 | L | 92.3 | Very high | 92.2 | Very high | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -12.7 | 172.5 | -65.5 | -178.1 | 0 | 0 | 0 | 114 | V16 F19 S23 V26 K63 N65 V70 | V16-L21 HydrophobicContact CB-CD2 4.36Å; V16-L21 HydrophobicContact CG1-CD2 3.89Å; V16-L21 HydrophobicContact CG2-CD1 4.16Å; V16-L21 HydrophobicContact CG2-CD2 3.58Å; V16-L21 HydrophobicContact CG2-CG 3.63Å; F19-L21 HydrophobicContact CE2-CD2 4.03Å; L21-S23 VanDerWaalsContact C-N 3.35Å; L21-V26 HydrophobicContact CD2-CG2 3.63Å; L21-K63 HydrophobicContact CB-CD 4.45Å; L21-K63 HydrophobicContact CD1-CB 4.38Å; L21-K63 PolarHBondContact O-NZ 2.82Å; L21-N65 VanDerWaalsContact CB-OD1 3.28Å; L21-N65 WeakPolarHBondContact CB-OD1 3.38Å; L21-V70 HydrophobicContact CD1-CG2 3.88Å; L21-V70 HydrophobicContact CD2-CG2 3.6Å; L21-V70 HydrophobicContact CG-CG2 4.42Å |
| 22 | T | 92.3 | Very high | 92.3 | Very high | 82 Ų | 82 | 41.3 Ų | 41.3 | 50% | 0.503 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -13.7 | 172 | 59.8 | 0 | 0 | 0 | 0 | 112.8 | S20 S45 N65 | S20-T22 PolarHBondContact O-N 2.93Å; S20-T22 PolarHBondContact OG-N 3.32Å; S20-T22 PolarHBondContact OG-OG1 3.01Å; T22-S45 WeakPolarHBondContact O-CB 3.49Å; T22-N65 HydrophobicContact CG2-CB 4.34Å |
| 23 | S | 91.9 | Very high | 92.3 | Very high | 73 Ų | 73 | 46 Ų | 46 | 51% | 0.51 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | -27.4 | -177.5 | -50.9 | 0 | 0 | 0 | 0 | 112.6 | S20 L21 | S20-S23 PolarHBondContact O-N 3.09Å; L21-S23 VanDerWaalsContact C-N 3.35Å |
| 24 | Y | 91.8 | Very high | 92.1 | Very high | 95 Ų | 95 | 47.3 Ų | 47.3 | 37% | 0.373 | 32% | 0.315 | S | S | . | . | trans | -127.2 | 149.7 | -177.4 | -62.4 | -83.4 | 0 | 0 | 0 | 112.3 | F19 S20 R89 | F19-Y24 HydrophobicContact CB-CD2 3.92Å; F19-Y24 HydrophobicContact CB-CE2 4.26Å; F19-Y24 HydrophobicContact CD2-CD2 4.03Å; F19-Y24 HydrophobicContact CD2-CG 4.29Å; F19-Y24 HydrophobicContact CG-CD2 4.35Å; S20-Y24 PolarHBondContact O-N 3Å; S20-Y24 VanDerWaalsContact O-N 3.13Å; Y24-R89 HydrophobicContact CD1-CG 4.15Å; Y24-R89 HydrophobicContact CG-CG 3.97Å; Y24-R89 PolarHBondContact OH-NH1 2.79Å | ||
| 25 | G | 93.3 | Very high | 92 | Very high | 3 Ų | 3 | 52.3 Ų | 52.3 | 3% | 0.031 | 34% | 0.336 | C | S | . | . | trans | -81.9 | 163.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112 | I43 T90 | G25-I43 CarbonylContact C-O 3.55Å; G25-I43 WeakPolarHBondContact CA-O 3.32Å; G25-T90 VanDerWaalsContact C-OG1 3.29Å; G25-T90 VanDerWaalsContact CA-OG1 3.23Å; G25-T90 WeakPolarHBondContact CA-OG1 3.33Å; G25-T90 PolarHBondContact N-OG1 2.7Å; G25-T90 PolarHBondContact O-N 3.37Å; G25-T90 PolarHBondContact O-OG1 2.85Å | ||
| 26 | V | 95.3 | Very high | 91.9 | Very high | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.012 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 120.6 | 176.3 | 179.5 | 0 | 0 | 0 | 0 | 109.1 | V16 F19 L21 V42 I43 V70 C87 A88 | V16-V26 HydrophobicContact CG1-CG2 4.31Å; F19-V26 HydrophobicContact CE2-CG2 4Å; F19-V26 HydrophobicContact CZ-CG2 4.09Å; L21-V26 HydrophobicContact CD2-CG2 3.63Å; V26-V42 WeakPolarHBondContact O-CA 3.21Å; V26-V42 WeakPolarHBondContact O-CG2 3.5Å; V26-I43 HydrophobicContact CB-CG2 4.39Å; V26-I43 PolarHBondContact N-O 2.79Å; V26-I43 PolarHBondContact O-N 2.83Å; V26-V70 HydrophobicContact CB-CG1 4.39Å; V26-V70 HydrophobicContact CB-CG2 3.97Å; V26-V70 HydrophobicContact CG1-CB 4.38Å; V26-V70 HydrophobicContact CG1-CG1 4.31Å; V26-V70 HydrophobicContact CG1-CG2 4.21Å; V26-V70 HydrophobicContact CG2-CG2 3.85Å; V26-C87 HydrophobicContact CG1-CB 3.93Å; V26-A88 CarbonylContact C-O 3.51Å; V26-A88 WeakPolarHBondContact CA-O 3.48Å |
| 27 | H | 95.3 | Very high | 92.1 | Very high | 35 Ų | 35 | 54.4 Ų | 54.4 | 16% | 0.162 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 145.5 | 176.8 | -62.5 | -102.9 | 0 | 0 | 0 | 109.9 | W39 G41 C87 A88 T90 | H27-W39 AromaticContact CG-NE1 4Å; H27-W39 AromaticContact ND1-CD1 3.92Å; H27-W39 AromaticContact ND1-NE1 3.24Å; H27-W39 PolarHBondContact ND1-NE1 3.2Å; H27-G41 CarbonylContact C-O 3.57Å; H27-G41 WeakPolarHBondContact CA-O 3.05Å; H27-C87 CarbonylContact O-C 3.47Å; H27-C87 VanDerWaalsContact O-CA 3.25Å; H27-C87 WeakPolarHBondContact O-CA 3.4Å; H27-A88 PolarHBondContact N-O 2.86Å; H27-A88 PolarHBondContact O-N 3.25Å; H27-T90 PolarHBondContact NE2-OG1 2.8Å |
| 28 | W | 95.4 | Very high | 92.4 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.008 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 130.7 | 167.2 | -72.8 | 94.7 | 0 | 0 | 0 | 109.3 | I12 C14 L40 G41 V70 F72 Y86 C87 | I12-W28 HydrophobicContact CB-CH2 3.96Å; I12-W28 HydrophobicContact CB-CZ3 4.05Å; I12-W28 HydrophobicContact CD1-CZ3 4.5Å; I12-W28 HydrophobicContact CG2-CH2 3.71Å; I12-W28 HydrophobicContact CG2-CZ3 3.75Å; C14-W28 HydrophobicContact CB-CH2 3.64Å; C14-W28 HydrophobicContact CB-CZ2 3.73Å; W28-L40 HydrophobicContact CB-CB 4.24Å; W28-L40 WeakPolarHBondContact O-CB 3.33Å; W28-L40 PolarHBondContact O-N 3.14Å; W28-G41 PolarHBondContact N-O 2.73Å; W28-G41 PolarHBondContact O-N 2.93Å; W28-V70 HydrophobicContact CZ2-CG1 4.19Å; W28-F72 HydrophobicContact CB-CD2 3.97Å; W28-F72 HydrophobicContact CB-CE2 4.26Å; W28-F72 HydrophobicContact CD2-CB 3.55Å; W28-F72 AromaticContact CD2-CD2 3.94Å; W28-F72 HydrophobicContact CD2-CD2 3.94Å; W28-F72 AromaticContact CD2-CG 3.91Å; W28-F72 HydrophobicContact CD2-CG 3.91Å; W28-F72 HydrophobicContact CE3-CB 3.9Å; W28-F72 HydrophobicContact CE3-CD2 4.42Å; W28-F72 HydrophobicContact CE3-CG 4.11Å; W28-F72 HydrophobicContact CG-CB 4.11Å; W28-F72 AromaticContact CG-CD2 3.7Å; W28-F72 HydrophobicContact CG-CD2 3.7Å; W28-F72 HydrophobicContact CG-CE2 4.46Å; W28-F72 HydrophobicContact CG-CG 4.18Å; W28-F72 HydrophobicContact CH2-CB 3.81Å; W28-F72 HydrophobicContact CZ2-CB 3.48Å; W28-F72 VanDerWaalsContact CZ2-CB 3.48Å; W28-F72 HydrophobicContact CZ3-CB 4.02Å; W28-Y86 WeakPolarHBondContact CA-O 3.24Å; W28-C87 HydrophobicContact CD2-CB 4.4Å; W28-C87 HydrophobicContact CE3-CB 4.25Å; W28-C87 HydrophobicContact CH2-CB 4.15Å; W28-C87 HydrophobicContact CZ2-CB 4.27Å; W28-C87 HydrophobicContact CZ3-CB 4.12Å |
| 29 | V | 94.9 | Very high | 92.8 | Very high | 10 Ų | 10 | 52.3 Ų | 52.3 | 6% | 0.061 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 143.6 | -177 | -176.8 | 0 | 0 | 0 | 0 | 107.3 | L37 E38 Y85 Y86 W95 | V29-L37 HydrophobicContact CG1-CB 3.82Å; V29-L37 HydrophobicContact CG1-CD2 3.83Å; V29-L37 HydrophobicContact CG1-CG 4.34Å; V29-E38 CarbonylContact C-O 3.46Å; V29-E38 VanDerWaalsContact CA-O 3.3Å; V29-E38 WeakPolarHBondContact CA-O 3.3Å; V29-E38 WeakPolarHBondContact CG1-O 3.35Å; V29-Y85 CarbonylContact O-C 3.42Å; V29-Y86 PolarHBondContact N-O 3.13Å; V29-Y86 PolarHBondContact O-N 2.82Å; V29-W95 HydrophobicContact CB-CH2 4.33Å; V29-W95 HydrophobicContact CB-CZ3 4Å; V29-W95 HydrophobicContact CG1-CH2 4.28Å; V29-W95 HydrophobicContact CG1-CZ3 4.17Å; V29-W95 HydrophobicContact CG2-CH2 4.02Å; V29-W95 HydrophobicContact CG2-CZ3 4.07Å |
| 30 | R | 94.4 | Very high | 93.2 | Very high | 10 Ų | 10 | 50.6 Ų | 50.6 | 4% | 0.038 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 157.5 | 170.7 | 69.8 | 175 | -169.1 | 178.6 | 14.7 | 111.8 | E38 L40 F55 D81 A83 I84 Y85 | R30-E38 HydrophobicContact CG-CB 3.99Å; R30-E38 IonicContact CZ-OE2 2.8Å; R30-E38 PolarHBondContact N-O 2.82Å; R30-E38 IonicContact NE-OE2 2.89Å; R30-E38 PolarHBondContact NE-OE2 3.13Å; R30-E38 IonicContact NH2-OE2 3.41Å; R30-E38 PolarHBondContact NH2-OE2 2.68Å; R30-E38 VanDerWaalsContact NH2-OE2 3.11Å; R30-E38 PolarHBondContact O-N 2.89Å; R30-L40 HydrophobicContact CB-CD1 3.9Å; R30-L40 HydrophobicContact CB-CG 4.41Å; R30-L40 HydrophobicContact CG-CD1 4Å; R30-L40 HydrophobicContact CG-CD2 3.97Å; R30-L40 HydrophobicContact CG-CG 4.07Å; R30-F55 VanDerWaalsContact CZ-CZ 3.44Å; R30-F55 VanDerWaalsContact NH2-CE1 3.29Å; R30-D81 IonicContact NH1-OD1 3.11Å; R30-D81 PolarHBondContact NH1-OD1 3.22Å; R30-A83 HydrophobicContact CB-CB 3.95Å; R30-A83 HydrophobicContact CG-CB 4.36Å; R30-I84 CarbonylContact C-O 3.48Å; R30-I84 WeakPolarHBondContact CA-O 3.47Å; R30-Y85 HydrophobicContact CB-CD1 3.94Å; R30-Y85 HydrophobicContact CB-CE1 3.97Å; R30-Y85 HydrophobicContact CB-CG 4.3Å |
| 31 | Q | 94.9 | Very high | 93.4 | Very high | 74 Ų | 74 | 48.1 Ų | 48.1 | 35% | 0.346 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 108.4 | 172.3 | -168 | 176.9 | 23.7 | 0 | 0 | 109.4 | L37 A83 I84 Y86 | Q31-L37 HydrophobicContact CB-CD2 4.09Å; Q31-L37 HydrophobicContact CG-CD2 4.47Å; Q31-A83 VanDerWaalsContact O-CA 3.32Å; Q31-A83 WeakPolarHBondContact O-CA 3.29Å; Q31-A83 WeakPolarHBondContact O-CB 3.47Å; Q31-I84 PolarHBondContact N-O 3.12Å; Q31-I84 PolarHBondContact O-N 2.98Å; Q31-Y86 HydrophobicContact CB-CE2 3.96Å |
| 32 | S | 93.6 | Very high | 93.6 | Very high | 10 Ų | 10 | 48 Ų | 48 | 7% | 0.07 | 28% | 0.282 | C | S | . | . | trans | -77.1 | 152.8 | 171.4 | -60.5 | 0 | 0 | 0 | 0 | 110.7 | G34 K35 | S32-G34 PolarHBondContact O-N 3.24Å; S32-K35 PolarHBondContact O-N 2.86Å | ||
| 33 | P | 91.7 | Very high | 93.8 | Very high | 107 Ų | 107 | 44.5 Ų | 44.5 | 70% | 0.695 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 126.3 | 175.4 | -25.1 | 34.3 | 0 | 0 | 0 | 111.7 | K35 T82 | P33-K35 PolarHBondContact O-N 2.82Å; P33-T82 WeakPolarHBondContact CD-O 3.44Å |
| 34 | G | 91.2 | Very high | 94 | Very high | 93 Ų | 93 | 45.2 Ų | 45.2 | 96% | 0.959 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | 6.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | S32 | S32-G34 PolarHBondContact O-N 3.24Š|
| 35 | K | 91.4 | Very high | 94.1 | Very high | 118 Ų | 118 | 43.1 Ų | 43.1 | 51% | 0.513 | 25% | 0.251 | S | S | . | . | trans | -113.4 | 161.7 | 175.2 | -63.3 | -168.4 | -179.5 | 176.1 | 0 | 112.2 | S32 P33 | S32-K35 PolarHBondContact O-N 2.86Å; P33-K35 PolarHBondContact O-N 2.82Å | ||
| 36 | G | 92 | Very high | 94.1 | Very high | 51 Ų | 51 | 46.6 Ų | 46.6 | 53% | 0.526 | 29% | 0.286 | S | S | . | . | trans | -71.5 | -177.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 37 | L | 93.1 | Very high | 93.9 | Very high | 98 Ų | 98 | 48.2 Ų | 48.2 | 51% | 0.513 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 126.5 | 173.3 | -68.7 | 170.9 | 0 | 0 | 0 | 110.4 | V29 Q31 Y86 W95 | V29-L37 HydrophobicContact CG1-CB 3.82Å; V29-L37 HydrophobicContact CG1-CD2 3.83Å; V29-L37 HydrophobicContact CG1-CG 4.34Å; Q31-L37 HydrophobicContact CB-CD2 4.09Å; Q31-L37 HydrophobicContact CG-CD2 4.47Å; L37-Y86 HydrophobicContact CD2-CD2 4.44Å; L37-Y86 HydrophobicContact CD2-CE2 4.43Å; L37-W95 HydrophobicContact CD1-CH2 4.03Å; L37-W95 HydrophobicContact CD1-CZ3 4.49Å |
| 38 | E | 93.6 | Very high | 93.9 | Very high | 53 Ų | 53 | 50 Ų | 50 | 25% | 0.248 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 118.9 | 177.8 | -62.1 | -177.3 | 132.4 | 0 | 0 | 109.6 | V29 R30 | V29-E38 CarbonylContact C-O 3.46Å; V29-E38 VanDerWaalsContact CA-O 3.3Å; V29-E38 WeakPolarHBondContact CA-O 3.3Å; V29-E38 WeakPolarHBondContact CG1-O 3.35Å; R30-E38 HydrophobicContact CG-CB 3.99Å; R30-E38 IonicContact CZ-OE2 2.8Å; R30-E38 PolarHBondContact N-O 2.82Å; R30-E38 IonicContact NE-OE2 2.89Å; R30-E38 PolarHBondContact NE-OE2 3.13Å; R30-E38 IonicContact NH2-OE2 3.41Å; R30-E38 PolarHBondContact NH2-OE2 2.68Å; R30-E38 VanDerWaalsContact NH2-OE2 3.11Å; R30-E38 PolarHBondContact O-N 2.89Å |
| 39 | W | 94.1 | Very high | 93.9 | Very high | 91 Ų | 91 | 52.1 Ų | 52.1 | 35% | 0.345 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 132.3 | 174.9 | -179.9 | 74.3 | 0 | 0 | 0 | 110.9 | H27 G41 V42 D50 N52 | H27-W39 AromaticContact CG-NE1 4Å; H27-W39 AromaticContact ND1-CD1 3.92Å; H27-W39 AromaticContact ND1-NE1 3.24Å; H27-W39 PolarHBondContact ND1-NE1 3.2Å; W39-G41 VanDerWaalsContact CE2-C 3.49Å; W39-G41 PolarHBondContact NE1-O 3.07Å; W39-V42 HydrophobicContact CZ2-CB 4.02Å; W39-V42 HydrophobicContact CZ2-CG1 3.85Å; W39-D50 HydrophobicContact CH2-CB 4.09Å; W39-N52 HydrophobicContact CE3-CB 3.9Å; W39-N52 HydrophobicContact CZ3-CB 4.02Å; W39-N52 VanDerWaalsContact O-CB 3.29Å; W39-N52 WeakPolarHBondContact O-CB 3.39Å; W39-N52 PolarHBondContact O-ND2 2.9Å |
| 40 | L | 94.4 | Very high | 94 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | -38.2 | -177.1 | -65.5 | 174.9 | 0 | 0 | 0 | 112.8 | W28 R30 N52 F55 L59 F72 Y85 | W28-L40 HydrophobicContact CB-CB 4.24Å; W28-L40 WeakPolarHBondContact O-CB 3.33Å; W28-L40 PolarHBondContact O-N 3.14Å; R30-L40 HydrophobicContact CB-CD1 3.9Å; R30-L40 HydrophobicContact CB-CG 4.41Å; R30-L40 HydrophobicContact CG-CD1 4Å; R30-L40 HydrophobicContact CG-CD2 3.97Å; R30-L40 HydrophobicContact CG-CG 4.07Å; L40-N52 PolarHBondContact O-N 3.26Å; L40-F55 HydrophobicContact CD2-CD1 4.32Å; L40-F55 HydrophobicContact CD2-CD2 3.7Å; L40-F55 HydrophobicContact CD2-CE2 3.92Å; L40-F55 HydrophobicContact CD2-CG 3.93Å; L40-F55 HydrophobicContact CD2-CZ 4.35Å; L40-L59 HydrophobicContact CB-CD1 4.04Å; L40-L59 WeakPolarHBondContact O-CD1 3.47Å; L40-F72 HydrophobicContact CB-CE2 4.27Å; L40-F72 HydrophobicContact CD1-CE2 3.91Å; L40-F72 HydrophobicContact CD1-CZ 3.7Å; L40-Y85 HydrophobicContact CD1-CD1 3.73Å; L40-Y85 HydrophobicContact CD1-CE1 3.67Å |
| 41 | G | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.1 | 177.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | H27 W28 W39 D50 | H27-G41 CarbonylContact C-O 3.57Å; H27-G41 WeakPolarHBondContact CA-O 3.05Å; W28-G41 PolarHBondContact N-O 2.73Å; W28-G41 PolarHBondContact O-N 2.93Å; W39-G41 VanDerWaalsContact CE2-C 3.49Å; W39-G41 PolarHBondContact NE1-O 3.07Å; G41-D50 CarbonylContact C-O 3.46Å; G41-D50 WeakPolarHBondContact CA-O 3.48Å |
| 42 | V | 95.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.006 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 147.1 | 177.5 | 65.6 | 0 | 0 | 0 | 0 | 109.5 | V26 W39 W44 T49 D50 | V26-V42 WeakPolarHBondContact O-CA 3.21Å; V26-V42 WeakPolarHBondContact O-CG2 3.5Å; W39-V42 HydrophobicContact CZ2-CB 4.02Å; W39-V42 HydrophobicContact CZ2-CG1 3.85Å; V42-W44 HydrophobicContact CG1-CD2 4.3Å; V42-W44 HydrophobicContact CG1-CZ2 3.73Å; V42-W44 HydrophobicContact CG2-CD2 4.26Å; V42-W44 HydrophobicContact CG2-CE3 4.34Å; V42-W44 HydrophobicContact CG2-CZ2 4.45Å; V42-W44 HydrophobicContact CG2-CZ3 4.47Å; V42-T49 VanDerWaalsContact O-CA 3.23Å; V42-T49 WeakPolarHBondContact O-CA 3.41Å; V42-D50 HydrophobicContact CG1-CB 3.91Å; V42-D50 PolarHBondContact N-O 3.07Å; V42-D50 PolarHBondContact O-N 2.89Å |
| 43 | I | 96.6 | Very high | 93.7 | Very high | 9 Ų | 9 | 59.9 Ų | 59.9 | 5% | 0.046 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 123.4 | 159.9 | -171.5 | 161.3 | 0 | 0 | 0 | 109 | G25 V26 S48 T49 I61 K63 V70 | G25-I43 CarbonylContact C-O 3.55Å; G25-I43 WeakPolarHBondContact CA-O 3.32Å; V26-I43 HydrophobicContact CB-CG2 4.39Å; V26-I43 PolarHBondContact N-O 2.79Å; V26-I43 PolarHBondContact O-N 2.83Å; I43-S48 WeakPolarHBondContact CA-O 3.37Å; I43-T49 HydrophobicContact CB-CG2 3.89Å; I43-T49 HydrophobicContact CD1-CG2 3.94Å; I43-T49 HydrophobicContact CG1-CG2 3.78Å; I43-I61 HydrophobicContact CB-CG2 3.69Å; I43-I61 HydrophobicContact CD1-CG2 4.46Å; I43-I61 HydrophobicContact CG2-CG2 3.73Å; I43-K63 HydrophobicContact CD1-CB 3.97Å; I43-K63 HydrophobicContact CD1-CD 3.89Å; I43-K63 HydrophobicContact CD1-CG 3.7Å; I43-K63 HydrophobicContact CG1-CD 4.09Å; I43-K63 HydrophobicContact CG1-CG 4.45Å; I43-K63 HydrophobicContact CG2-CD 4.48Å; I43-V70 HydrophobicContact CG2-CG1 3.76Å |
| 44 | W | 95.9 | Very high | 93.5 | Very high | 88 Ų | 88 | 58.2 Ų | 58.2 | 33% | 0.333 | 38% | 0.38 | S | S | . | . | trans | -78.5 | 167 | -178.7 | -62.2 | 107.2 | 0 | 0 | 0 | 111.8 | V42 G46 G47 S48 D50 K63 T90 | V42-W44 HydrophobicContact CG1-CD2 4.3Å; V42-W44 HydrophobicContact CG1-CZ2 3.73Å; V42-W44 HydrophobicContact CG2-CD2 4.26Å; V42-W44 HydrophobicContact CG2-CE3 4.34Å; V42-W44 HydrophobicContact CG2-CZ2 4.45Å; V42-W44 HydrophobicContact CG2-CZ3 4.47Å; W44-G46 PolarHBondContact O-N 2.92Å; W44-G47 PolarHBondContact O-N 3.35Å; W44-S48 VanDerWaalsContact CD1-OG 3.3Å; W44-S48 PolarHBondContact N-O 2.83Å; W44-D50 PolarHBondContact NE1-OD2 3.03Å; W44-K63 PolarHBondContact O-NZ 2.68Å; W44-T90 HydrophobicContact CZ3-CG2 3.96Å | ||
| 45 | S | 93.8 | Very high | 93.1 | Very high | 51 Ų | 51 | 54.7 Ų | 54.7 | 36% | 0.357 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -35.9 | 175.6 | 54 | 0 | 0 | 0 | 0 | 112.4 | T22 G47 K63 | T22-S45 WeakPolarHBondContact O-CB 3.49Å; S45-G47 VanDerWaalsContact C-N 3.26Å; S45-G47 PolarHBondContact O-N 2.84Å; S45-K63 VanDerWaalsContact C-NZ 3.27Å; S45-K63 PolarHBondContact O-NZ 2.92Å |
| 46 | G | 92.8 | Very high | 92.9 | Very high | 75 Ų | 75 | 53.6 Ų | 53.6 | 77% | 0.773 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -8.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | W44 | W44-G46 PolarHBondContact O-N 2.92Š|
| 47 | G | 92.8 | Very high | 92.8 | Very high | 37 Ų | 37 | 56.4 Ų | 56.4 | 38% | 0.381 | 35% | 0.349 | S | S | . | . | S | Bend | trans | 91.2 | -4.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | W44 S45 | W44-G47 PolarHBondContact O-N 3.35Å; S45-G47 VanDerWaalsContact C-N 3.26Å; S45-G47 PolarHBondContact O-N 2.84Å |
| 48 | S | 95 | Very high | 92.7 | Very high | 73 Ų | 73 | 53.2 Ų | 53.2 | 51% | 0.51 | 33% | 0.33 | S | S | . | . | trans | -63 | 150.5 | 167.4 | 50.2 | 0 | 0 | 0 | 0 | 110.9 | I43 W44 | I43-S48 WeakPolarHBondContact CA-O 3.37Å; W44-S48 VanDerWaalsContact CD1-OG 3.3Å; W44-S48 PolarHBondContact N-O 2.83Å | ||
| 49 | T | 95.9 | Very high | 92.6 | Very high | 46 Ų | 46 | 51.4 Ų | 51.4 | 28% | 0.282 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 139.5 | 179.9 | 49.9 | 0 | 0 | 0 | 0 | 110.8 | V42 I43 Y51 I61 | V42-T49 VanDerWaalsContact O-CA 3.23Å; V42-T49 WeakPolarHBondContact O-CA 3.41Å; I43-T49 HydrophobicContact CB-CG2 3.89Å; I43-T49 HydrophobicContact CD1-CG2 3.94Å; I43-T49 HydrophobicContact CG1-CG2 3.78Å; T49-Y51 WeakPolarHBondContact OG1-CE2 3.44Å; T49-Y51 PolarHBondContact OG1-OH 3.26Å; T49-I61 HydrophobicContact CG2-CB 4.26Å |
| 50 | D | 95.4 | Very high | 92.6 | Very high | 81 Ų | 81 | 49.8 Ų | 49.8 | 43% | 0.433 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 146.5 | 166.9 | -59.4 | -52.3 | 0 | 0 | 0 | 109.1 | W39 G41 V42 W44 | W39-D50 HydrophobicContact CH2-CB 4.09Å; G41-D50 CarbonylContact C-O 3.46Å; G41-D50 WeakPolarHBondContact CA-O 3.48Å; V42-D50 HydrophobicContact CG1-CB 3.91Å; V42-D50 PolarHBondContact N-O 3.07Å; V42-D50 PolarHBondContact O-N 2.89Å; W44-D50 PolarHBondContact NE1-OD2 3.03Å |
| 51 | Y | 94.8 | Very high | 92.7 | Very high | 53 Ų | 53 | 50.2 Ų | 50.2 | 21% | 0.208 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 151.9 | -177.1 | -59.4 | -85 | 0 | 0 | 0 | 110.4 | T49 A53 I56 L59 I61 | T49-Y51 WeakPolarHBondContact OG1-CE2 3.44Å; T49-Y51 PolarHBondContact OG1-OH 3.26Å; Y51-A53 PolarHBondContact O-N 3.37Å; Y51-I56 HydrophobicContact CD2-CD1 4.26Å; Y51-I56 HydrophobicContact CD2-CG1 4.05Å; Y51-I56 HydrophobicContact CG-CG1 4.06Å; Y51-L59 HydrophobicContact CD1-CB 3.72Å; Y51-L59 HydrophobicContact CD1-CD1 4.2Å; Y51-L59 HydrophobicContact CE1-CB 3.9Å; Y51-I61 HydrophobicContact CD1-CD1 4.12Å; Y51-I61 HydrophobicContact CE1-CB 4.3Å; Y51-I61 HydrophobicContact CE1-CD1 3.74Å; Y51-I61 HydrophobicContact CE1-CG1 3.85Å; Y51-I61 PolarHBondContact OH-N 2.93Å; Y51-I61 VanDerWaalsContact OH-N 3.17Å |
| 52 | N | 92.7 | Very high | 92.7 | Very high | 48 Ų | 48 | 52.9 Ų | 52.9 | 26% | 0.257 | 35% | 0.345 | S | S | . | . | trans | -68.4 | 128.5 | 165.5 | -176.7 | -29.1 | 0 | 0 | 0 | 109.3 | W39 L40 A54 F55 I56 | W39-N52 HydrophobicContact CE3-CB 3.9Å; W39-N52 HydrophobicContact CZ3-CB 4.02Å; W39-N52 VanDerWaalsContact O-CB 3.29Å; W39-N52 WeakPolarHBondContact O-CB 3.39Å; W39-N52 PolarHBondContact O-ND2 2.9Å; L40-N52 PolarHBondContact O-N 3.26Å; N52-A54 PolarHBondContact O-N 2.87Å; N52-A54 VanDerWaalsContact O-N 3.09Å; N52-A54 WeakPolarHBondContact OD1-CB 3.29Å; N52-A54 PolarHBondContact OD1-N 3.33Å; N52-F55 HydrophobicContact CB-CD2 4.02Å; N52-F55 PolarHBondContact O-N 2.87Å; N52-I56 PolarHBondContact O-N 2.95Å | ||
| 53 | A | 90.1 | Very high | 92.7 | Very high | 84 Ų | 84 | 54.9 Ų | 54.9 | 69% | 0.694 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -30.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y51 F55 | Y51-A53 PolarHBondContact O-N 3.37Å; A53-F55 PolarHBondContact O-N 2.92Å |
| 54 | A | 86.6 | Confident | 92.6 | Very high | 72 Ų | 72 | 56.5 Ų | 56.5 | 60% | 0.595 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -22 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | N52 | N52-A54 PolarHBondContact O-N 2.87Å; N52-A54 VanDerWaalsContact O-N 3.09Å; N52-A54 WeakPolarHBondContact OD1-CB 3.29Å; N52-A54 PolarHBondContact OD1-N 3.33Å |
| 55 | F | 83.8 | Confident | 92.5 | Very high | 20 Ų | 20 | 55.8 Ų | 55.8 | 9% | 0.088 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | -9.8 | -172.5 | -56.6 | -79.3 | 0 | 0 | 0 | 114 | R30 L40 N52 A53 S57 R58 L59 M74 | R30-F55 VanDerWaalsContact CZ-CZ 3.44Å; R30-F55 VanDerWaalsContact NH2-CE1 3.29Å; L40-F55 HydrophobicContact CD2-CD1 4.32Å; L40-F55 HydrophobicContact CD2-CD2 3.7Å; L40-F55 HydrophobicContact CD2-CE2 3.92Å; L40-F55 HydrophobicContact CD2-CG 3.93Å; L40-F55 HydrophobicContact CD2-CZ 4.35Å; N52-F55 HydrophobicContact CB-CD2 4.02Å; N52-F55 PolarHBondContact O-N 2.87Å; A53-F55 PolarHBondContact O-N 2.92Å; F55-S57 PolarHBondContact O-N 3Å; F55-R58 PolarHBondContact O-N 3.46Å; F55-L59 HydrophobicContact CB-CD1 3.42Å; F55-L59 VanDerWaalsContact CB-CD1 3.42Å; F55-L59 HydrophobicContact CB-CG 3.77Å; F55-L59 HydrophobicContact CG-CD1 4.44Å; F55-L59 WeakPolarHBondContact O-CG 3.5Å; F55-L59 PolarHBondContact O-N 2.73Å; F55-M74 HydrophobicContact CD1-CE 4.2Å |
| 56 | I | 87 | Confident | 92.4 | Very high | 95 Ų | 95 | 58.3 Ų | 58.3 | 49% | 0.487 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -33.8 | -170.9 | -167.9 | 165.7 | 0 | 0 | 0 | 114.5 | Y51 N52 R58 | Y51-I56 HydrophobicContact CD2-CD1 4.26Å; Y51-I56 HydrophobicContact CD2-CG1 4.05Å; Y51-I56 HydrophobicContact CG-CG1 4.06Å; N52-I56 PolarHBondContact O-N 2.95Å; I56-R58 PolarHBondContact O-N 2.89Å |
| 57 | S | 88.8 | Confident | 92.4 | Very high | 109 Ų | 109 | 60.8 Ų | 60.8 | 76% | 0.762 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -17.1 | -179.3 | 59 | 0 | 0 | 0 | 0 | 114 | F55 | F55-S57 PolarHBondContact O-N 3Š|
| 58 | R | 91.7 | Very high | 92.4 | Very high | 32 Ų | 32 | 61.2 Ų | 61.2 | 12% | 0.121 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | -12 | -173.6 | -59.7 | -169.3 | -61.3 | 129.9 | -0.3 | 113.4 | F55 I56 M74 N75 S76 D81 | F55-R58 PolarHBondContact O-N 3.46Å; I56-R58 PolarHBondContact O-N 2.89Å; R58-M74 HydrophobicContact CB-CG 4.43Å; R58-M74 CarbonylContact O-C 3.57Å; R58-M74 WeakPolarHBondContact O-CA 3.28Å; R58-N75 WeakPolarHBondContact CB-O 3.42Å; R58-N75 PolarHBondContact O-N 3.25Å; R58-S76 PolarHBondContact NH1-O 3.21Å; R58-D81 IonicContact CZ-OD1 3.79Å; R58-D81 IonicContact CZ-OD2 3.48Å; R58-D81 IonicContact NH1-OD1 3.71Å; R58-D81 IonicContact NH1-OD2 2.68Å; R58-D81 PolarHBondContact NH1-OD2 3Å; R58-D81 IonicContact NH2-OD1 2.92Å; R58-D81 PolarHBondContact NH2-OD1 2.88Å; R58-D81 IonicContact NH2-OD2 3.35Å; R58-D81 PolarHBondContact NH2-OD2 3.28Å |
| 59 | L | 92.4 | Very high | 92.5 | Very high | 15 Ų | 15 | 60 Ų | 60 | 8% | 0.079 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 147.7 | -173.2 | -67.5 | -174.4 | 0 | 0 | 0 | 113.3 | L40 Y51 F55 F72 K73 M74 | L40-L59 HydrophobicContact CB-CD1 4.04Å; L40-L59 WeakPolarHBondContact O-CD1 3.47Å; Y51-L59 HydrophobicContact CD1-CB 3.72Å; Y51-L59 HydrophobicContact CD1-CD1 4.2Å; Y51-L59 HydrophobicContact CE1-CB 3.9Å; F55-L59 HydrophobicContact CB-CD1 3.42Å; F55-L59 VanDerWaalsContact CB-CD1 3.42Å; F55-L59 HydrophobicContact CB-CG 3.77Å; F55-L59 HydrophobicContact CG-CD1 4.44Å; F55-L59 WeakPolarHBondContact O-CG 3.5Å; F55-L59 PolarHBondContact O-N 2.73Å; L59-F72 HydrophobicContact CD1-CE2 4.12Å; L59-F72 HydrophobicContact CD2-CD2 4.47Å; L59-F72 HydrophobicContact CD2-CE1 4.26Å; L59-F72 HydrophobicContact CD2-CE2 3.38Å; L59-F72 HydrophobicContact CD2-CZ 3.25Å; L59-F72 HydrophobicContact CG-CE2 4.29Å; L59-K73 CarbonylContact C-O 3.54Å; L59-K73 WeakPolarHBondContact CA-O 3.47Å; L59-M74 HydrophobicContact CD2-CB 3.84Å; L59-M74 HydrophobicContact CD2-CE 3.39Å; L59-M74 HydrophobicContact CD2-CG 3.91Å; L59-M74 HydrophobicContact CD2-SD 4.47Å; L59-M74 HydrophobicContact CG-CE 4.38Å |
| 60 | S | 94.2 | Very high | 92.5 | Very high | 57 Ų | 57 | 57.8 Ų | 57.8 | 40% | 0.399 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 126.9 | 166.7 | -179.1 | 0 | 0 | 0 | 0 | 109.2 | K73 | S60-K73 PolarHBondContact N-O 3.19Å; S60-K73 PolarHBondContact O-N 3.45Å |
| 61 | I | 95.6 | Very high | 92.5 | Very high | 9 Ų | 9 | 56.4 Ų | 56.4 | 5% | 0.046 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 134 | 175.8 | -59 | 161.7 | 0 | 0 | 0 | 108.4 | I43 T49 Y51 V70 F71 F72 | I43-I61 HydrophobicContact CB-CG2 3.69Å; I43-I61 HydrophobicContact CD1-CG2 4.46Å; I43-I61 HydrophobicContact CG2-CG2 3.73Å; T49-I61 HydrophobicContact CG2-CB 4.26Å; Y51-I61 HydrophobicContact CD1-CD1 4.12Å; Y51-I61 HydrophobicContact CE1-CB 4.3Å; Y51-I61 HydrophobicContact CE1-CD1 3.74Å; Y51-I61 HydrophobicContact CE1-CG1 3.85Å; Y51-I61 PolarHBondContact OH-N 2.93Å; Y51-I61 VanDerWaalsContact OH-N 3.17Å; I61-V70 HydrophobicContact CG2-CG1 4.05Å; I61-F71 WeakPolarHBondContact CA-O 3.34Å; I61-F72 HydrophobicContact CG1-CD2 4.01Å |
| 62 | S | 95.3 | Very high | 92.5 | Very high | 56 Ų | 56 | 53.9 Ų | 53.9 | 39% | 0.392 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 167.4 | 174.2 | 66.6 | 0 | 0 | 0 | 0 | 110.6 | V70 F71 | S62-V70 CarbonylContact O-C 3.5Å; S62-V70 WeakPolarHBondContact O-CA 3.45Å; S62-V70 WeakPolarHBondContact O-CG1 3.3Å; S62-F71 PolarHBondContact N-O 2.78Å; S62-F71 PolarHBondContact O-N 3.34Å |
| 63 | K | 95.1 | Very high | 92.5 | Very high | 43 Ų | 43 | 55.9 Ų | 55.9 | 19% | 0.187 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 150.7 | 177 | 71 | -177.4 | -173.2 | 178.7 | 0 | 111.9 | L21 I43 W44 S45 N65 Q69 V70 | L21-K63 HydrophobicContact CB-CD 4.45Å; L21-K63 HydrophobicContact CD1-CB 4.38Å; L21-K63 PolarHBondContact O-NZ 2.82Å; I43-K63 HydrophobicContact CD1-CB 3.97Å; I43-K63 HydrophobicContact CD1-CD 3.89Å; I43-K63 HydrophobicContact CD1-CG 3.7Å; I43-K63 HydrophobicContact CG1-CD 4.09Å; I43-K63 HydrophobicContact CG1-CG 4.45Å; I43-K63 HydrophobicContact CG2-CD 4.48Å; W44-K63 PolarHBondContact O-NZ 2.68Å; S45-K63 VanDerWaalsContact C-NZ 3.27Å; S45-K63 PolarHBondContact O-NZ 2.92Å; K63-N65 WeakPolarHBondContact CE-OD1 3.45Å; K63-Q69 CarbonylContact C-O 3.52Å; K63-Q69 WeakPolarHBondContact CA-O 3.35Å; K63-V70 HydrophobicContact CB-CG2 4.1Å |
| 64 | D | 94.9 | Very high | 92.6 | Very high | 43 Ų | 43 | 51.9 Ų | 51.9 | 23% | 0.23 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 102.8 | 170.4 | -175.7 | -16.4 | 0 | 0 | 0 | 108.3 | S66 K67 S68 Q69 F71 | D64-S66 VanDerWaalsContact C-N 3.26Å; D64-S66 PolarHBondContact O-N 3.05Å; D64-S66 WeakPolarHBondContact OD1-CB 3.23Å; D64-S66 PolarHBondContact OD1-N 3.44Å; D64-S66 PolarHBondContact OD1-OG 3.08Å; D64-K67 HydrophobicContact CB-CB 4.34Å; D64-K67 PolarHBondContact O-N 3.45Å; D64-K67 PolarHBondContact OD1-N 3.04Å; D64-K67 VanDerWaalsContact OD2-CD 3.24Å; D64-K67 WeakPolarHBondContact OD2-CD 3.41Å; D64-K67 WeakPolarHBondContact OD2-CE 3.23Å; D64-K67 WeakPolarHBondContact OD2-CG 3.38Å; D64-K67 IonicContact OD2-NZ 3.76Å; D64-S68 PolarHBondContact O-N 3.29Å; D64-Q69 PolarHBondContact N-O 3.24Å; D64-Q69 PolarHBondContact O-N 2.83Å; D64-F71 HydrophobicContact CB-CE2 3.88Å |
| 65 | N | 93.1 | Very high | 92.8 | Very high | 72 Ų | 72 | 51.4 Ų | 51.4 | 39% | 0.385 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -31.2 | -179.9 | -64.1 | -18.3 | 0 | 0 | 0 | 111.9 | L21 T22 K63 K67 S68 | L21-N65 VanDerWaalsContact CB-OD1 3.28Å; L21-N65 WeakPolarHBondContact CB-OD1 3.38Å; T22-N65 HydrophobicContact CG2-CB 4.34Å; K63-N65 WeakPolarHBondContact CE-OD1 3.45Å; N65-K67 VanDerWaalsContact C-N 3.27Å; N65-K67 PolarHBondContact O-N 2.92Å; N65-S68 PolarHBondContact O-N 3.17Å |
| 66 | S | 92.1 | Very high | 93 | Very high | 105 Ų | 105 | 53.9 Ų | 53.9 | 73% | 0.734 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -31.4 | -179 | 74 | 0 | 0 | 0 | 0 | 111.9 | D64 | D64-S66 VanDerWaalsContact C-N 3.26Å; D64-S66 PolarHBondContact O-N 3.05Å; D64-S66 WeakPolarHBondContact OD1-CB 3.23Å; D64-S66 PolarHBondContact OD1-N 3.44Å; D64-S66 PolarHBondContact OD1-OG 3.08Å |
| 67 | K | 93.6 | Very high | 93.1 | Very high | 127 Ų | 127 | 49.6 Ų | 49.6 | 55% | 0.552 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -3.2 | 177.4 | -63 | -178.6 | -170.7 | 166.4 | 0 | 113.6 | D64 N65 Q69 | D64-K67 HydrophobicContact CB-CB 4.34Å; D64-K67 PolarHBondContact O-N 3.45Å; D64-K67 PolarHBondContact OD1-N 3.04Å; D64-K67 VanDerWaalsContact OD2-CD 3.24Å; D64-K67 WeakPolarHBondContact OD2-CD 3.41Å; D64-K67 WeakPolarHBondContact OD2-CE 3.23Å; D64-K67 WeakPolarHBondContact OD2-CG 3.38Å; D64-K67 IonicContact OD2-NZ 3.76Å; N65-K67 VanDerWaalsContact C-N 3.27Å; N65-K67 PolarHBondContact O-N 2.92Å; K67-Q69 HydrophobicContact CB-CB 4.23Å; K67-Q69 HydrophobicContact CB-CG 4.14Å; K67-Q69 PolarHBondContact O-N 2.88Å |
| 68 | S | 93.6 | Very high | 93.1 | Very high | 45 Ų | 45 | 49 Ų | 49 | 32% | 0.315 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 44.4 | -171.1 | -60.8 | 0 | 0 | 0 | 0 | 111.9 | V16 D64 N65 | V16-S68 WeakPolarHBondContact CG2-O 3.33Å; V16-S68 PolarHBondContact N-O 3.45Å; D64-S68 PolarHBondContact O-N 3.29Å; N65-S68 PolarHBondContact O-N 3.17Å |
| 69 | Q | 95.6 | Very high | 92.8 | Very high | 47 Ų | 47 | 50.9 Ų | 50.9 | 22% | 0.22 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 141.5 | -176.6 | -78.3 | 175.1 | -13 | 0 | 0 | 111.9 | T13 C14 T15 K63 D64 K67 F71 | T13-Q69 HydrophobicContact CG2-CB 4.16Å; T13-Q69 HydrophobicContact CG2-CG 3.92Å; C14-Q69 CarbonylContact O-C 3.59Å; C14-Q69 WeakPolarHBondContact O-CA 3.39Å; T15-Q69 HydrophobicContact CG2-CG 4.31Å; T15-Q69 PolarHBondContact OG1-NE2 3.39Å; K63-Q69 CarbonylContact C-O 3.52Å; K63-Q69 WeakPolarHBondContact CA-O 3.35Å; D64-Q69 PolarHBondContact N-O 3.24Å; D64-Q69 PolarHBondContact O-N 2.83Å; K67-Q69 HydrophobicContact CB-CB 4.23Å; K67-Q69 HydrophobicContact CB-CG 4.14Å; K67-Q69 PolarHBondContact O-N 2.88Å; Q69-F71 HydrophobicContact CB-CE1 4.36Å; Q69-F71 HydrophobicContact CB-CE2 3.93Å; Q69-F71 HydrophobicContact CB-CZ 3.69Å |
| 70 | V | 95.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 131.8 | 170.3 | -177 | 0 | 0 | 0 | 0 | 108.1 | C14 L21 V26 W28 I43 I61 S62 K63 | C14-V70 HydrophobicContact CB-CB 4.47Å; C14-V70 PolarHBondContact N-O 2.8Å; C14-V70 PolarHBondContact O-N 3.13Å; L21-V70 HydrophobicContact CD1-CG2 3.88Å; L21-V70 HydrophobicContact CD2-CG2 3.6Å; L21-V70 HydrophobicContact CG-CG2 4.42Å; V26-V70 HydrophobicContact CB-CG1 4.39Å; V26-V70 HydrophobicContact CB-CG2 3.97Å; V26-V70 HydrophobicContact CG1-CB 4.38Å; V26-V70 HydrophobicContact CG1-CG1 4.31Å; V26-V70 HydrophobicContact CG1-CG2 4.21Å; V26-V70 HydrophobicContact CG2-CG2 3.85Å; W28-V70 HydrophobicContact CZ2-CG1 4.19Å; I43-V70 HydrophobicContact CG2-CG1 3.76Å; I61-V70 HydrophobicContact CG2-CG1 4.05Å; S62-V70 CarbonylContact O-C 3.5Å; S62-V70 WeakPolarHBondContact O-CA 3.45Å; S62-V70 WeakPolarHBondContact O-CG1 3.3Å; K63-V70 HydrophobicContact CB-CG2 4.1Å |
| 71 | F | 95.3 | Very high | 92.4 | Very high | 52 Ų | 52 | 53.2 Ų | 53.2 | 23% | 0.228 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 134.7 | -178.6 | -53.7 | -84.2 | 0 | 0 | 0 | 109.4 | I12 T13 I61 S62 D64 Q69 | I12-F71 WeakPolarHBondContact O-CA 3.32Å; T13-F71 HydrophobicContact CG2-CD1 3.93Å; T13-F71 HydrophobicContact CG2-CE1 3.59Å; T13-F71 HydrophobicContact CG2-CZ 4.37Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.45Å; T13-F71 WeakPolarHBondContact OG1-CE1 3.33Å; I61-F71 WeakPolarHBondContact CA-O 3.34Å; S62-F71 PolarHBondContact N-O 2.78Å; S62-F71 PolarHBondContact O-N 3.34Å; D64-F71 HydrophobicContact CB-CE2 3.88Å; Q69-F71 HydrophobicContact CB-CE1 4.36Å; Q69-F71 HydrophobicContact CB-CE2 3.93Å; Q69-F71 HydrophobicContact CB-CZ 3.69Å |
| 72 | F | 94.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 123.2 | 172.2 | 170.2 | -90.7 | 0 | 0 | 0 | 108.7 | L10 S11 I12 W28 L40 L59 I61 M74 Y85 | L10-F72 HydrophobicContact CD2-CE1 4.47Å; S11-F72 CarbonylContact C-O 3.57Å; S11-F72 WeakPolarHBondContact CA-O 3.27Å; I12-F72 HydrophobicContact CB-CB 4.47Å; I12-F72 HydrophobicContact CB-CD1 4.44Å; I12-F72 HydrophobicContact CD1-CD1 4.12Å; I12-F72 HydrophobicContact CG1-CD1 4.2Å; I12-F72 PolarHBondContact N-O 3.11Å; I12-F72 PolarHBondContact O-N 2.81Å; W28-F72 HydrophobicContact CB-CD2 3.97Å; W28-F72 HydrophobicContact CB-CE2 4.26Å; W28-F72 HydrophobicContact CD2-CB 3.55Å; W28-F72 AromaticContact CD2-CD2 3.94Å; W28-F72 HydrophobicContact CD2-CD2 3.94Å; W28-F72 AromaticContact CD2-CG 3.91Å; W28-F72 HydrophobicContact CD2-CG 3.91Å; W28-F72 HydrophobicContact CE3-CB 3.9Å; W28-F72 HydrophobicContact CE3-CD2 4.42Å; W28-F72 HydrophobicContact CE3-CG 4.11Å; W28-F72 HydrophobicContact CG-CB 4.11Å; W28-F72 AromaticContact CG-CD2 3.7Å; W28-F72 HydrophobicContact CG-CD2 3.7Å; W28-F72 HydrophobicContact CG-CE2 4.46Å; W28-F72 HydrophobicContact CG-CG 4.18Å; W28-F72 HydrophobicContact CH2-CB 3.81Å; W28-F72 HydrophobicContact CZ2-CB 3.48Å; W28-F72 VanDerWaalsContact CZ2-CB 3.48Å; W28-F72 HydrophobicContact CZ3-CB 4.02Å; L40-F72 HydrophobicContact CB-CE2 4.27Å; L40-F72 HydrophobicContact CD1-CE2 3.91Å; L40-F72 HydrophobicContact CD1-CZ 3.7Å; L59-F72 HydrophobicContact CD1-CE2 4.12Å; L59-F72 HydrophobicContact CD2-CD2 4.47Å; L59-F72 HydrophobicContact CD2-CE1 4.26Å; L59-F72 HydrophobicContact CD2-CE2 3.38Å; L59-F72 HydrophobicContact CD2-CZ 3.25Å; L59-F72 HydrophobicContact CG-CE2 4.29Å; I61-F72 HydrophobicContact CG1-CD2 4.01Å; F72-M74 HydrophobicContact CE1-CB 3.93Å; F72-M74 HydrophobicContact CZ-CB 4.18Å; F72-M74 HydrophobicContact CZ-CE 4.1Å; F72-Y85 AromaticContact CE1-CD1 3.91Å; F72-Y85 HydrophobicContact CE1-CD1 3.91Å; F72-Y85 AromaticContact CE1-CE1 3.89Å; F72-Y85 HydrophobicContact CE1-CE1 3.89Å; F72-Y85 HydrophobicContact CZ-CD1 4.22Å; F72-Y85 HydrophobicContact CZ-CE1 4.06Å |
| 73 | K | 93.4 | Very high | 92.1 | Very high | 91 Ų | 91 | 51.9 Ų | 51.9 | 40% | 0.396 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 131.4 | 175.8 | -169.5 | 177.5 | -177.3 | -177.6 | 0 | 109.6 | L10 L59 S60 N75 | L10-K73 CarbonylContact O-C 3.55Å; L10-K73 VanDerWaalsContact O-CA 3.24Å; L10-K73 WeakPolarHBondContact O-CA 3.23Å; L59-K73 CarbonylContact C-O 3.54Å; L59-K73 WeakPolarHBondContact CA-O 3.47Å; S60-K73 PolarHBondContact N-O 3.19Å; S60-K73 PolarHBondContact O-N 3.45Å; K73-N75 VanDerWaalsContact CE-OD1 3.27Å; K73-N75 WeakPolarHBondContact CE-OD1 3.25Å |
| 74 | M | 92.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 124.3 | 171 | -177.7 | -179.1 | -84.7 | 0 | 0 | 108.7 | S9 L10 F55 R58 L59 F72 L77 D81 | S9-M74 CarbonylContact C-O 3.59Å; S9-M74 VanDerWaalsContact CA-O 3.23Å; S9-M74 WeakPolarHBondContact CA-O 3.35Å; L10-M74 HydrophobicContact CB-CB 4.46Å; L10-M74 PolarHBondContact N-O 3.11Å; L10-M74 PolarHBondContact O-N 2.91Å; F55-M74 HydrophobicContact CD1-CE 4.2Å; R58-M74 HydrophobicContact CB-CG 4.43Å; R58-M74 CarbonylContact O-C 3.57Å; R58-M74 WeakPolarHBondContact O-CA 3.28Å; L59-M74 HydrophobicContact CD2-CB 3.84Å; L59-M74 HydrophobicContact CD2-CE 3.39Å; L59-M74 HydrophobicContact CD2-CG 3.91Å; L59-M74 HydrophobicContact CD2-SD 4.47Å; L59-M74 HydrophobicContact CG-CE 4.38Å; F72-M74 HydrophobicContact CE1-CB 3.93Å; F72-M74 HydrophobicContact CZ-CB 4.18Å; F72-M74 HydrophobicContact CZ-CE 4.1Å; M74-L77 HydrophobicContact CB-CD2 4.32Å; M74-L77 HydrophobicContact CG-CD2 4.02Å; M74-L77 HydrophobicContact SD-CD2 3.66Å; M74-D81 HydrophobicContact SD-CB 4.07Å; M74-D81 VanDerWaalsContact SD-CG 3.58Å |
| 75 | N | 90.9 | Very high | 92.1 | Very high | 61 Ų | 61 | 50.7 Ų | 50.7 | 33% | 0.326 | 28% | 0.282 | S | S | . | . | trans | -96.4 | 157.9 | 176.9 | -58.3 | -50.8 | 0 | 0 | 0 | 110.8 | S9 R58 K73 | S9-N75 WeakPolarHBondContact CB-OD1 3.03Å; R58-N75 WeakPolarHBondContact CB-O 3.42Å; R58-N75 PolarHBondContact O-N 3.25Å; K73-N75 VanDerWaalsContact CE-OD1 3.27Å; K73-N75 WeakPolarHBondContact CE-OD1 3.25Å | ||
| 76 | S | 88.1 | Confident | 92.2 | Very high | 72 Ų | 72 | 49.1 Ų | 49.1 | 50% | 0.503 | 27% | 0.271 | S | S | . | . | S | Bend | trans | 53.1 | 59.6 | 176.6 | -53.7 | 0 | 0 | 0 | 0 | 112 | R58 | R58-S76 PolarHBondContact NH1-O 3.21Š|
| 77 | L | 88.3 | Confident | 92.3 | Very high | 5 Ų | 5 | 44.8 Ų | 44.8 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | trans | -60 | 139.4 | 177.6 | -70.5 | 167.1 | 0 | 0 | 0 | 111.5 | V4 S7 Q8 L10 M74 D81 V103 | V4-L77 HydrophobicContact CB-CD1 3.85Å; V4-L77 HydrophobicContact CG1-CD1 4.43Å; V4-L77 HydrophobicContact CG2-CD1 3.53Å; S7-L77 PolarHBondContact N-O 2.74Å; Q8-L77 WeakPolarHBondContact O-CD1 3.04Å; Q8-L77 VanDerWaalsContact O-CG 3.3Å; Q8-L77 WeakPolarHBondContact O-CG 3.21Å; Q8-L77 PolarHBondContact O-N 3Å; L10-L77 HydrophobicContact CB-CD1 3.62Å; L10-L77 HydrophobicContact CB-CD2 3.9Å; L10-L77 HydrophobicContact CB-CG 4.16Å; L10-L77 HydrophobicContact CD2-CD2 4.22Å; M74-L77 HydrophobicContact CB-CD2 4.32Å; M74-L77 HydrophobicContact CG-CD2 4.02Å; M74-L77 HydrophobicContact SD-CD2 3.66Å; L77-D81 HydrophobicContact CD2-CB 3.99Å; L77-V103 HydrophobicContact CB-CG1 4.03Å; L77-V103 HydrophobicContact CB-CG2 4.08Å; L77-V103 HydrophobicContact CD1-CG2 4.47Å; L77-V103 HydrophobicContact CD2-CG2 4.37Å | ||
| 78 | Q | 88.7 | Confident | 92.3 | Very high | 97 Ų | 97 | 39 Ų | 39 | 45% | 0.453 | 22% | 0.216 | S | C | . | . | trans | -118.6 | 160.7 | 177.7 | -56.9 | 177.9 | 23.9 | 0 | 0 | 109.2 | D80 D81 V103 | Q78-D80 PolarHBondContact O-N 2.86Å; Q78-D80 VanDerWaalsContact O-N 3.13Å; Q78-D81 PolarHBondContact N-OD2 2.87Å; Q78-D81 WeakPolarHBondContact O-CB 3.38Å; Q78-D81 PolarHBondContact O-N 2.03Å; Q78-V103 WeakPolarHBondContact O-CG2 3.24Å | ||
| 79 | A | 86.6 | Confident | 92.3 | Very high | 71 Ų | 71 | 38.2 Ų | 38.2 | 59% | 0.587 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -53.7 | -36.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D81 T82 | A79-D81 PolarHBondContact O-N 2.8Å; A79-T82 WeakPolarHBondContact O-CB 3Å; A79-T82 PolarHBondContact O-N 2.92Å; A79-T82 VanDerWaalsContact O-N 3.13Å; A79-T82 PolarHBondContact O-OG1 2.85Å; A79-T82 VanDerWaalsContact O-OG1 3.07Å |
| 80 | D | 87 | Confident | 91.8 | Very high | 119 Ų | 119 | 37.9 Ų | 37.9 | 64% | 0.636 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -68.5 | -10.7 | 178.2 | -69.6 | -6.5 | 0 | 0 | 0 | 114.3 | Q78 | Q78-D80 PolarHBondContact O-N 2.86Å; Q78-D80 VanDerWaalsContact O-N 3.13Å |
| 81 | D | 89.8 | Confident | 91 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.011 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -83.5 | -0.1 | 173.7 | -60.2 | -45.9 | 0 | 0 | 0 | 112.6 | R30 R58 M74 L77 Q78 A79 A83 Y85 V103 | R30-D81 IonicContact NH1-OD1 3.11Å; R30-D81 PolarHBondContact NH1-OD1 3.22Å; R58-D81 IonicContact CZ-OD1 3.79Å; R58-D81 IonicContact CZ-OD2 3.48Å; R58-D81 IonicContact NH1-OD1 3.71Å; R58-D81 IonicContact NH1-OD2 2.68Å; R58-D81 PolarHBondContact NH1-OD2 3Å; R58-D81 IonicContact NH2-OD1 2.92Å; R58-D81 PolarHBondContact NH2-OD1 2.88Å; R58-D81 IonicContact NH2-OD2 3.35Å; R58-D81 PolarHBondContact NH2-OD2 3.28Å; M74-D81 HydrophobicContact SD-CB 4.07Å; M74-D81 VanDerWaalsContact SD-CG 3.58Å; L77-D81 HydrophobicContact CD2-CB 3.99Å; Q78-D81 PolarHBondContact N-OD2 2.87Å; Q78-D81 WeakPolarHBondContact O-CB 3.38Å; Q78-D81 PolarHBondContact O-N 2.03Å; A79-D81 PolarHBondContact O-N 2.8Å; D81-A83 PolarHBondContact O-N 2.96Å; D81-A83 VanDerWaalsContact O-N 3.12Å; D81-Y85 WeakPolarHBondContact O-CE2 3.47Å; D81-Y85 PolarHBondContact O-OH 3.37Å; D81-V103 HydrophobicContact CB-CG2 4.24Å |
| 82 | T | 91.6 | Very high | 89.6 | Confident | 35 Ų | 35 | 41.8 Ų | 41.8 | 22% | 0.215 | 24% | 0.244 | C | C | . | . | trans | -62.6 | 111.3 | 169.7 | -66.6 | 0 | 0 | 0 | 0 | 110 | P33 A79 V101 T102 V103 | P33-T82 WeakPolarHBondContact CD-O 3.44Å; A79-T82 WeakPolarHBondContact O-CB 3Å; A79-T82 PolarHBondContact O-N 2.92Å; A79-T82 VanDerWaalsContact O-N 3.13Å; A79-T82 PolarHBondContact O-OG1 2.85Å; A79-T82 VanDerWaalsContact O-OG1 3.07Å; T82-V101 WeakPolarHBondContact CA-O 3.37Å; T82-T102 HydrophobicContact CG2-CG2 4.41Å; T82-V103 PolarHBondContact OG1-N 2.86Å; T82-V103 VanDerWaalsContact OG1-N 3.14Å | ||
| 83 | A | 94.2 | Very high | 88.9 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 3% | 0.025 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.7 | 168.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | R30 Q31 D81 Y85 V101 | R30-A83 HydrophobicContact CB-CB 3.95Å; R30-A83 HydrophobicContact CG-CB 4.36Å; Q31-A83 VanDerWaalsContact O-CA 3.32Å; Q31-A83 WeakPolarHBondContact O-CA 3.29Å; Q31-A83 WeakPolarHBondContact O-CB 3.47Å; D81-A83 PolarHBondContact O-N 2.96Å; D81-A83 VanDerWaalsContact O-N 3.12Å; A83-Y85 HydrophobicContact CB-CD2 4.35Å; A83-Y85 HydrophobicContact CB-CE2 3.86Å; A83-Y85 WeakPolarHBondContact O-CD2 3.41Å; A83-V101 PolarHBondContact N-O 2.8Å; A83-V101 PolarHBondContact O-N 3.42Å |
| 84 | I | 94.4 | Very high | 88.4 | Confident | 60 Ų | 60 | 49.2 Ų | 49.2 | 31% | 0.308 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 126.3 | 162.3 | -51.5 | 174.4 | 0 | 0 | 0 | 108.1 | R30 Q31 Y86 T99 | R30-I84 CarbonylContact C-O 3.48Å; R30-I84 WeakPolarHBondContact CA-O 3.47Å; Q31-I84 PolarHBondContact N-O 3.12Å; Q31-I84 PolarHBondContact O-N 2.98Å; I84-Y86 HydrophobicContact CB-CE2 3.76Å; I84-Y86 HydrophobicContact CG2-CD1 4.49Å; I84-Y86 HydrophobicContact CG2-CD2 4.37Å; I84-Y86 HydrophobicContact CG2-CE1 3.77Å; I84-Y86 HydrophobicContact CG2-CE2 3.64Å; I84-Y86 VanDerWaalsContact CG2-OH 3.29Å; I84-Y86 WeakPolarHBondContact CG2-OH 3.43Å; I84-Y86 WeakPolarHBondContact O-CE2 3.35Å; I84-T99 WeakPolarHBondContact CA-O 3.36Å |
| 85 | Y | 94.9 | Very high | 88.3 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 0% | 0.004 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 126 | -178.6 | -70.2 | -101.7 | 0 | 0 | 0 | 110.4 | L10 I12 V29 R30 L40 F72 D81 A83 G98 T99 V101 | L10-Y85 HydrophobicContact CD2-CE2 4.28Å; I12-Y85 HydrophobicContact CD1-CD1 4.03Å; I12-Y85 HydrophobicContact CD1-CD2 4.11Å; I12-Y85 HydrophobicContact CD1-CG 3.57Å; V29-Y85 CarbonylContact O-C 3.42Å; R30-Y85 HydrophobicContact CB-CD1 3.94Å; R30-Y85 HydrophobicContact CB-CE1 3.97Å; R30-Y85 HydrophobicContact CB-CG 4.3Å; L40-Y85 HydrophobicContact CD1-CD1 3.73Å; L40-Y85 HydrophobicContact CD1-CE1 3.67Å; F72-Y85 AromaticContact CE1-CD1 3.91Å; F72-Y85 HydrophobicContact CE1-CD1 3.91Å; F72-Y85 AromaticContact CE1-CE1 3.89Å; F72-Y85 HydrophobicContact CE1-CE1 3.89Å; F72-Y85 HydrophobicContact CZ-CD1 4.22Å; F72-Y85 HydrophobicContact CZ-CE1 4.06Å; D81-Y85 WeakPolarHBondContact O-CE2 3.47Å; D81-Y85 PolarHBondContact O-OH 3.37Å; A83-Y85 HydrophobicContact CB-CD2 4.35Å; A83-Y85 HydrophobicContact CB-CE2 3.86Å; A83-Y85 WeakPolarHBondContact O-CD2 3.41Å; Y85-G98 CarbonylContact O-C 3.6Å; Y85-G98 WeakPolarHBondContact O-CA 3.42Å; Y85-T99 PolarHBondContact N-O 2.8Å; Y85-T99 PolarHBondContact O-N 2.92Å; Y85-V101 HydrophobicContact CD2-CB 4.03Å; Y85-V101 HydrophobicContact CD2-CG2 3.78Å; Y85-V101 HydrophobicContact CE2-CB 3.87Å; Y85-V101 HydrophobicContact CE2-CG2 4.06Å |
| 86 | Y | 94.6 | Very high | 88.2 | Confident | 39 Ų | 39 | 53 Ų | 53 | 15% | 0.153 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 145.5 | -177.9 | -55.8 | -86.6 | 0 | 0 | 0 | 110.5 | W28 V29 Q31 L37 I84 W95 G98 | W28-Y86 WeakPolarHBondContact CA-O 3.24Å; V29-Y86 PolarHBondContact N-O 3.13Å; V29-Y86 PolarHBondContact O-N 2.82Å; Q31-Y86 HydrophobicContact CB-CE2 3.96Å; L37-Y86 HydrophobicContact CD2-CD2 4.44Å; L37-Y86 HydrophobicContact CD2-CE2 4.43Å; I84-Y86 HydrophobicContact CB-CE2 3.76Å; I84-Y86 HydrophobicContact CG2-CD1 4.49Å; I84-Y86 HydrophobicContact CG2-CD2 4.37Å; I84-Y86 HydrophobicContact CG2-CE1 3.77Å; I84-Y86 HydrophobicContact CG2-CE2 3.64Å; I84-Y86 VanDerWaalsContact CG2-OH 3.29Å; I84-Y86 WeakPolarHBondContact CG2-OH 3.43Å; I84-Y86 WeakPolarHBondContact O-CE2 3.35Å; Y86-W95 HydrophobicContact CG-CE3 4.31Å; Y86-W95 HydrophobicContact CG-CZ3 4.47Å; Y86-G98 VanDerWaalsContact CD1-CA 3.42Å |
| 87 | C | 94.3 | Very high | 88.2 | Confident | 14 Ų | 14 | 59.1 Ų | 59.1 | 10% | 0.095 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 141.6 | 161.9 | 57.2 | 0 | 0 | 0 | 0 | 109.5 | C14 V26 H27 W28 G96 | C14-C87 HydrophobicContact CB-CB 3.52Å; C14-C87 WeakPolarHBondContact CB-SG 3.28Å; C14-C87 WeakPolarHBondContact SG-CB 3.37Å; C14-C87 CovalentContact SG-SG 2.03Å; C14-C87 PolarHBondContact SG-SG 3.06Å; V26-C87 HydrophobicContact CG1-CB 3.93Å; H27-C87 CarbonylContact O-C 3.47Å; H27-C87 VanDerWaalsContact O-CA 3.25Å; H27-C87 WeakPolarHBondContact O-CA 3.4Å; W28-C87 HydrophobicContact CD2-CB 4.4Å; W28-C87 HydrophobicContact CE3-CB 4.25Å; W28-C87 HydrophobicContact CH2-CB 4.15Å; W28-C87 HydrophobicContact CZ2-CB 4.27Å; W28-C87 HydrophobicContact CZ3-CB 4.12Å; C87-G96 PolarHBondContact O-N 3.29Å |
| 88 | A | 93.9 | Very high | 88.3 | Confident | 4 Ų | 4 | 60.2 Ų | 60.2 | 3% | 0.033 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 141.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V26 H27 Y94 W95 | V26-A88 CarbonylContact C-O 3.51Å; V26-A88 WeakPolarHBondContact CA-O 3.48Å; H27-A88 PolarHBondContact N-O 2.86Å; H27-A88 PolarHBondContact O-N 3.25Å; A88-Y94 VanDerWaalsContact CA-O 3.28Å; A88-Y94 WeakPolarHBondContact CA-O 3.38Å; A88-W95 HydrophobicContact CB-CD2 3.81Å; A88-W95 HydrophobicContact CB-CE3 3.95Å; A88-W95 HydrophobicContact CB-CG 4.3Å; A88-W95 HydrophobicContact CB-CH2 4.34Å; A88-W95 HydrophobicContact CB-CZ2 4.22Å; A88-W95 HydrophobicContact CB-CZ3 4.22Å |
| 89 | R | 93 | Very high | 88.4 | Confident | 30 Ų | 30 | 58.5 Ų | 58.5 | 11% | 0.113 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 145.5 | 175.7 | -170 | -169 | 69.6 | 136.4 | -6.4 | 110.4 | F19 Y24 G91 T92 D93 Y94 | F19-R89 HydrophobicContact CD1-CG 4.23Å; F19-R89 HydrophobicContact CD2-CG 4.04Å; F19-R89 HydrophobicContact CE1-CB 3.99Å; F19-R89 HydrophobicContact CE1-CG 4.05Å; F19-R89 HydrophobicContact CE2-CB 4.38Å; F19-R89 HydrophobicContact CE2-CG 3.84Å; F19-R89 HydrophobicContact CG-CG 4.22Å; F19-R89 HydrophobicContact CZ-CB 3.88Å; F19-R89 HydrophobicContact CZ-CG 3.83Å; Y24-R89 HydrophobicContact CD1-CG 4.15Å; Y24-R89 HydrophobicContact CG-CG 3.97Å; Y24-R89 PolarHBondContact OH-NH1 2.79Å; R89-G91 PolarHBondContact O-N 2.79Å; R89-T92 WeakPolarHBondContact O-CA 3.48Å; R89-T92 PolarHBondContact O-N 3.21Å; R89-D93 IonicContact CZ-OD2 3.99Å; R89-D93 IonicContact NH2-OD2 2.78Å; R89-D93 PolarHBondContact NH2-OD2 3.03Å; R89-Y94 PolarHBondContact N-O 2.86Å |
| 90 | T | 85.2 | Confident | 88.7 | Confident | 40 Ų | 40 | 57.7 Ų | 57.7 | 25% | 0.245 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 130.3 | 165.5 | -56.2 | 0 | 0 | 0 | 0 | 110.1 | G25 H27 W44 | G25-T90 VanDerWaalsContact C-OG1 3.29Å; G25-T90 VanDerWaalsContact CA-OG1 3.23Å; G25-T90 WeakPolarHBondContact CA-OG1 3.33Å; G25-T90 PolarHBondContact N-OG1 2.7Å; G25-T90 PolarHBondContact O-N 3.37Å; G25-T90 PolarHBondContact O-OG1 2.85Å; H27-T90 PolarHBondContact NE2-OG1 2.8Å; W44-T90 HydrophobicContact CZ3-CG2 3.96Å |
| 91 | G | 79.6 | Confident | 88.8 | Confident | 43 Ų | 43 | 52.1 Ų | 52.1 | 44% | 0.443 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.7 | -10.3 | -166.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | R89 D93 | R89-G91 PolarHBondContact O-N 2.79Å; G91-D93 PolarHBondContact O-N 2.74Å |
| 92 | T | 67.1 | Low | 88.8 | Confident | 90 Ų | 90 | 55 Ų | 55 | 55% | 0.552 | 31% | 0.305 | S | S | * | . | S | Bend | trans | 59.1 | 4.1 | 171 | 55.2 | 0 | 0 | 0 | 0 | 117.8 | R89 Y94 W95 | R89-T92 WeakPolarHBondContact O-CA 3.48Å; R89-T92 PolarHBondContact O-N 3.21Å; T92-Y94 VanDerWaalsContact C-N 3.26Å; T92-Y94 PolarHBondContact O-N 3.34Å; T92-W95 VanDerWaalsContact O-CD1 3.31Å; T92-W95 PolarHBondContact O-NE1 3.01Å |
| 93 | D | 78.3 | Confident | 88.4 | Confident | 115 Ų | 115 | 55.1 Ų | 55.1 | 62% | 0.615 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -75 | -15.1 | 178.9 | -36.6 | -62.5 | 0 | 0 | 0 | 113.5 | R89 G91 | R89-D93 IonicContact CZ-OD2 3.99Å; R89-D93 IonicContact NH2-OD2 2.78Å; R89-D93 PolarHBondContact NH2-OD2 3.03Å; G91-D93 PolarHBondContact O-N 2.74Å |
| 94 | Y | 84.1 | Confident | 88.1 | Confident | 132 Ų | 132 | 57.7 Ų | 57.7 | 52% | 0.518 | 32% | 0.319 | S | S | . | . | trans | -127.8 | 120.5 | -176.2 | -67.1 | -86.9 | 0 | 0 | 0 | 111.3 | A88 R89 T92 | A88-Y94 VanDerWaalsContact CA-O 3.28Å; A88-Y94 WeakPolarHBondContact CA-O 3.38Å; R89-Y94 PolarHBondContact N-O 2.86Å; T92-Y94 VanDerWaalsContact C-N 3.26Å; T92-Y94 PolarHBondContact O-N 3.34Å | ||
| 95 | W | 90 | Very high | 87.8 | Confident | 114 Ų | 114 | 57.6 Ų | 57.6 | 43% | 0.432 | 32% | 0.32 | S | S | . | . | B | Isolated β-bridge | trans | -120.7 | 140.8 | 178.4 | -69.4 | 74.5 | 0 | 0 | 0 | 110.8 | V29 L37 Y86 A88 T92 | V29-W95 HydrophobicContact CB-CH2 4.33Å; V29-W95 HydrophobicContact CB-CZ3 4Å; V29-W95 HydrophobicContact CG1-CH2 4.28Å; V29-W95 HydrophobicContact CG1-CZ3 4.17Å; V29-W95 HydrophobicContact CG2-CH2 4.02Å; V29-W95 HydrophobicContact CG2-CZ3 4.07Å; L37-W95 HydrophobicContact CD1-CH2 4.03Å; L37-W95 HydrophobicContact CD1-CZ3 4.49Å; Y86-W95 HydrophobicContact CG-CE3 4.31Å; Y86-W95 HydrophobicContact CG-CZ3 4.47Å; A88-W95 HydrophobicContact CB-CD2 3.81Å; A88-W95 HydrophobicContact CB-CE3 3.95Å; A88-W95 HydrophobicContact CB-CG 4.3Å; A88-W95 HydrophobicContact CB-CH2 4.34Å; A88-W95 HydrophobicContact CB-CZ2 4.22Å; A88-W95 HydrophobicContact CB-CZ3 4.22Å; T92-W95 VanDerWaalsContact O-CD1 3.31Å; T92-W95 PolarHBondContact O-NE1 3.01Å |
| 96 | G | 88.3 | Confident | 87.4 | Confident | 27 Ų | 27 | 60.7 Ų | 60.7 | 28% | 0.278 | 34% | 0.337 | S | S | . | . | trans | -70.2 | 161.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | C87 G98 | C87-G96 PolarHBondContact O-N 3.29Å; G96-G98 PolarHBondContact O-N 3.39Å; G96-G98 VanDerWaalsContact O-N 3.11Å | ||
| 97 | Q | 88.7 | Confident | 87 | Confident | 201 Ų | 201 | 62 Ų | 62 | 94% | 0.939 | 35% | 0.348 | S | S | * | . | trans | -62.8 | -18.8 | 180 | -67.1 | -173.1 | -24.9 | 0 | 0 | 113.9 | ||||
| 98 | G | 90.2 | Very high | 86.5 | Confident | 28 Ų | 28 | 65 Ų | 65 | 29% | 0.289 | 36% | 0.364 | S | S | . | . | trans | 87 | 148.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y85 Y86 G96 | Y85-G98 CarbonylContact O-C 3.6Å; Y85-G98 WeakPolarHBondContact O-CA 3.42Å; Y86-G98 VanDerWaalsContact CD1-CA 3.42Å; G96-G98 PolarHBondContact O-N 3.39Å; G96-G98 VanDerWaalsContact O-N 3.11Å | ||
| 99 | T | 91.7 | Very high | 86.1 | Confident | 61 Ų | 61 | 69.1 Ų | 69.1 | 37% | 0.374 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 115 | 177.9 | -60.4 | 0 | 0 | 0 | 0 | 108.8 | I84 Y85 V101 | I84-T99 WeakPolarHBondContact CA-O 3.36Å; Y85-T99 PolarHBondContact N-O 2.8Å; Y85-T99 PolarHBondContact O-N 2.92Å; T99-V101 HydrophobicContact CG2-CG2 4.18Å; T99-V101 PolarHBondContact O-N 3.3Å |
| 100 | S | 91.8 | Very high | 85.6 | Confident | 54 Ų | 54 | 71.9 Ų | 71.9 | 38% | 0.378 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 122 | 173.7 | -172.3 | 0 | 0 | 0 | 0 | 110.3 | G2 | G2-S100 PolarHBondContact N-O 3.4Å |
| 101 | V | 89.7 | Confident | 85.6 | Confident | 2 Ų | 2 | 74.3 Ų | 74.3 | 1% | 0.012 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 131.6 | 176.9 | 179.8 | 0 | 0 | 0 | 0 | 108.9 | V4 L10 I12 T82 A83 Y85 T99 V103 | V4-V101 HydrophobicContact CG2-CG1 3.68Å; L10-V101 HydrophobicContact CD1-CG1 4.07Å; L10-V101 HydrophobicContact CD1-CG2 3.83Å; L10-V101 HydrophobicContact CD2-CB 4.47Å; L10-V101 HydrophobicContact CD2-CG1 4.04Å; L10-V101 HydrophobicContact CD2-CG2 3.98Å; I12-V101 HydrophobicContact CD1-CG2 4.39Å; T82-V101 WeakPolarHBondContact CA-O 3.37Å; A83-V101 PolarHBondContact N-O 2.8Å; A83-V101 PolarHBondContact O-N 3.42Å; Y85-V101 HydrophobicContact CD2-CB 4.03Å; Y85-V101 HydrophobicContact CD2-CG2 3.78Å; Y85-V101 HydrophobicContact CE2-CB 3.87Å; Y85-V101 HydrophobicContact CE2-CG2 4.06Å; T99-V101 HydrophobicContact CG2-CG2 4.18Å; T99-V101 PolarHBondContact O-N 3.3Å; V101-V103 HydrophobicContact CG1-CG2 4.49Å |
| 102 | T | 88.6 | Confident | 86.1 | Confident | 61 Ų | 61 | 76.9 Ų | 76.9 | 37% | 0.374 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 121.7 | 175 | -53.1 | 0 | 0 | 0 | 0 | 107.9 | G2 V4 T82 | G2-T102 PolarHBondContact O-N 2.59Å; V4-T102 WeakPolarHBondContact CG2-O 3.42Å; V4-T102 PolarHBondContact N-O 3.35Å; V4-T102 VanDerWaalsContact N-O 3.08Å; T82-T102 HydrophobicContact CG2-CG2 4.41Å |
| 103 | V | 84.7 | Confident | 87.8 | Confident | 38 Ų | 38 | 75.7 Ų | 75.7 | 23% | 0.23 | 40% | 0.404 | C | S | . | . | trans | -95.7 | 0 | 176.1 | -170.7 | 0 | 0 | 0 | 0 | 109.9 | V4 P6 L77 Q78 D81 T82 V101 | V4-V103 HydrophobicContact CG2-CB 4.37Å; V4-V103 HydrophobicContact CG2-CG2 3.83Å; V4-V103 WeakPolarHBondContact O-CA 3.39Å; P6-V103 HydrophobicContact CB-CG1 4.46Å; P6-V103 HydrophobicContact CG-CG1 4.18Å; L77-V103 HydrophobicContact CB-CG1 4.03Å; L77-V103 HydrophobicContact CB-CG2 4.08Å; L77-V103 HydrophobicContact CD1-CG2 4.47Å; L77-V103 HydrophobicContact CD2-CG2 4.37Å; Q78-V103 WeakPolarHBondContact O-CG2 3.24Å; D81-V103 HydrophobicContact CB-CG2 4.24Å; T82-V103 PolarHBondContact OG1-N 2.86Å; T82-V103 VanDerWaalsContact OG1-N 3.14Å; V101-V103 HydrophobicContact CG1-CG2 4.49Å |
Retrieved 103 of 103 residues in 41 ms
(Link to these results)