| 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 | 35.1 | Very low | 62.8 | Low | 232 Ų | 232 | 108.8 Ų | 108.8 | 100% | 1.143 | 53% | 0.525 | S | S | * | . | 0 | 97.6 | 0 | -171.1 | 176.9 | -179.7 | 0 | 0 | 107.7 | L3 | M1-L3 PolarHBondContact O-N 3.19Š| |||
| 2 | Q | 37 | Very low | 63.6 | Low | 168 Ų | 168 | 105.3 Ų | 105.3 | 79% | 0.785 | 52% | 0.519 | S | S | * | . | trans | -76.4 | 120 | 172.6 | -171.7 | 173 | -0.6 | 0 | 0 | 107 | I4 | Q2-I4 VanDerWaalsContact C-N 3.28Å; Q2-I4 HydrophobicContact CB-CG1 4.47Å; Q2-I4 HydrophobicContact CG-CG1 4.09Å; Q2-I4 PolarHBondContact O-N 3.25Å | ||
| 3 | L | 43.2 | Very low | 64.5 | Low | 148 Ų | 148 | 109.2 Ų | 109.2 | 78% | 0.775 | 54% | 0.544 | S | S | * | . | trans | -75.5 | 86.2 | 175.7 | -164.9 | 96.7 | 0 | 0 | 0 | 107.9 | M1 K5 | M1-L3 PolarHBondContact O-N 3.19Å; L3-K5 VanDerWaalsContact C-N 3.33Å; L3-K5 HydrophobicContact CD2-CB 4.4Å; L3-K5 PolarHBondContact O-N 2.66Å; L3-K5 VanDerWaalsContact O-N 3.15Å | ||
| 4 | I | 56.8 | Low | 66 | Low | 115 Ų | 115 | 103.1 Ų | 103.1 | 59% | 0.59 | 52% | 0.517 | S | S | * | . | trans | -80.9 | 90.9 | 168.6 | -54 | 175.3 | 0 | 0 | 0 | 105.5 | Q2 P6 | Q2-I4 VanDerWaalsContact C-N 3.28Å; Q2-I4 HydrophobicContact CB-CG1 4.47Å; Q2-I4 HydrophobicContact CG-CG1 4.09Å; Q2-I4 PolarHBondContact O-N 3.25Å; I4-P6 WeakPolarHBondContact O-CD 3.47Å | ||
| 5 | K | 63.8 | Low | 67.4 | Low | 135 Ų | 135 | 100 Ų | 100 | 59% | 0.587 | 51% | 0.507 | S | S | * | . | trans | -101.6 | 103.8 | 164.5 | -175.2 | -175.2 | 175.8 | -172.8 | 0 | 107 | L3 Y7 | L3-K5 VanDerWaalsContact C-N 3.33Å; L3-K5 HydrophobicContact CD2-CB 4.4Å; L3-K5 PolarHBondContact O-N 2.66Å; L3-K5 VanDerWaalsContact O-N 3.15Å; K5-Y7 PolarHBondContact O-N 3Å | ||
| 6 | P | 68.3 | Low | 69 | Low | 20 Ų | 20 | 97.8 Ų | 97.8 | 13% | 0.13 | 50% | 0.496 | C | S | . | . | trans | -51.6 | 132.8 | 169.6 | -28.6 | 38.4 | 0 | 0 | 0 | 109.9 | I4 T8 I9 E52 | I4-P6 WeakPolarHBondContact O-CD 3.47Å; P6-T8 PolarHBondContact O-N 3.29Å; P6-I9 HydrophobicContact CB-CD1 3.62Å; P6-I9 HydrophobicContact CB-CG1 3.91Å; P6-I9 HydrophobicContact CG-CD1 3.56Å; P6-I9 HydrophobicContact CG-CG1 4.4Å; P6-E52 WeakPolarHBondContact CA-OE2 3.49Å; P6-E52 WeakPolarHBondContact CB-OE2 3.13Å | ||
| 7 | Y | 70.5 | Confident | 70.4 | Confident | 206 Ų | 206 | 98.3 Ų | 98.3 | 81% | 0.808 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -20.1 | -177.7 | -72 | -82.4 | 0 | 0 | 0 | 111.5 | K5 L10 E52 | K5-Y7 PolarHBondContact O-N 3Å; Y7-L10 WeakPolarHBondContact O-CD1 2.84Å; Y7-L10 WeakPolarHBondContact O-CG 3.16Å; Y7-E52 PolarHBondContact N-OE1 3.09Å; Y7-E52 PolarHBondContact N-OE2 3.45Å |
| 8 | T | 75.9 | Confident | 71.8 | Confident | 63 Ų | 63 | 93.4 Ų | 93.4 | 39% | 0.387 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -19.5 | -178.1 | 43.1 | 0 | 0 | 0 | 0 | 115.2 | P6 L10 E52 L61 | P6-T8 PolarHBondContact O-N 3.29Å; T8-L10 PolarHBondContact O-N 3.37Å; T8-E52 VanDerWaalsContact CB-OE1 3.23Å; T8-E52 WeakPolarHBondContact CB-OE1 3.45Å; T8-E52 HydrophobicContact CG2-CG 4.36Å; T8-E52 WeakPolarHBondContact CG2-OE1 2.71Å; T8-E52 PolarHBondContact N-OE1 3Å; T8-E52 VanDerWaalsContact N-OE1 3.08Å; T8-E52 PolarHBondContact OG1-OE1 2.93Å; T8-E52 PolarHBondContact OG1-OE2 2.83Å; T8-L61 VanDerWaalsContact CB-CD2 3.44Å; T8-L61 HydrophobicContact CG2-CD2 4.17Å; T8-L61 VanDerWaalsContact OG1-CD2 3.31Å; T8-L61 WeakPolarHBondContact OG1-CD2 3.25Å |
| 9 | I | 79.2 | Confident | 73 | Confident | 20 Ų | 20 | 93.4 Ų | 93.4 | 10% | 0.103 | 47% | 0.468 | C | S | . | . | trans | -83.2 | 84 | 179.4 | -55.8 | 165.3 | 0 | 0 | 0 | 109.4 | P6 I16 F28 T30 W44 A49 | P6-I9 HydrophobicContact CB-CD1 3.62Å; P6-I9 HydrophobicContact CB-CG1 3.91Å; P6-I9 HydrophobicContact CG-CD1 3.56Å; P6-I9 HydrophobicContact CG-CG1 4.4Å; I9-I16 HydrophobicContact CG2-CD1 4.1Å; I9-F28 HydrophobicContact CD1-CE1 4.35Å; I9-F28 HydrophobicContact CD1-CE2 3.89Å; I9-F28 HydrophobicContact CD1-CZ 3.35Å; I9-F28 HydrophobicContact CG1-CZ 4.02Å; I9-F28 HydrophobicContact CG2-CE2 4.24Å; I9-T30 HydrophobicContact CG2-CG2 4.34Å; I9-W44 HydrophobicContact CG2-CD2 4.41Å; I9-W44 HydrophobicContact CG2-CH2 4.3Å; I9-W44 HydrophobicContact CG2-CZ2 3.78Å; I9-A49 HydrophobicContact CD1-CB 4.19Å | ||
| 10 | L | 80.1 | Confident | 74.1 | Confident | 86 Ų | 86 | 89.6 Ų | 89.6 | 45% | 0.45 | 45% | 0.451 | S | S | . | . | trans | -138.6 | 147.7 | -178.2 | -64.4 | 172.8 | 0 | 0 | 0 | 111.7 | Y7 T8 S12 | Y7-L10 WeakPolarHBondContact O-CD1 2.84Å; Y7-L10 WeakPolarHBondContact O-CG 3.16Å; T8-L10 PolarHBondContact O-N 3.37Å; L10-S12 PolarHBondContact O-N 3.42Å | ||
| 11 | Y | 81.3 | Confident | 75 | Confident | 4 Ų | 4 | 88.5 Ų | 88.5 | 2% | 0.016 | 45% | 0.449 | C | S | . | . | B | Isolated β-bridge | trans | -93.1 | 39.9 | 171.9 | -73.3 | 24.4 | 0 | 0 | 0 | 110.6 | D13 S14 I16 T30 S31 L33 L40 M42 W44 | Y11-D13 PolarHBondContact O-N 3.37Å; Y11-S14 WeakPolarHBondContact CB-O 3.23Å; Y11-S14 WeakPolarHBondContact O-CB 3.45Å; Y11-S14 PolarHBondContact O-N 3.47Å; Y11-I16 HydrophobicContact CD1-CD1 3.79Å; Y11-I16 HydrophobicContact CD1-CG1 3.49Å; Y11-I16 VanDerWaalsContact CD1-CG1 3.49Å; Y11-I16 HydrophobicContact CD2-CG1 4.36Å; Y11-I16 HydrophobicContact CE1-CD1 3.95Å; Y11-I16 HydrophobicContact CE1-CG1 3.67Å; Y11-I16 HydrophobicContact CG-CG1 3.94Å; Y11-T30 WeakPolarHBondContact CE1-OG1 2.94Å; Y11-T30 PolarHBondContact OH-O 2.78Å; Y11-T30 PolarHBondContact OH-OG1 3.27Å; Y11-S31 WeakPolarHBondContact OH-CA 3.44Å; Y11-S31 PolarHBondContact OH-N 2.92Å; Y11-L33 WeakPolarHBondContact CD2-O 2.9Å; Y11-L40 HydrophobicContact CD2-CB 4.04Å; Y11-L40 HydrophobicContact CD2-CD2 3.48Å; Y11-L40 VanDerWaalsContact CD2-CD2 3.48Å; Y11-L40 HydrophobicContact CD2-CG 3.91Å; Y11-L40 HydrophobicContact CE2-CB 3.6Å; Y11-L40 HydrophobicContact CE2-CD2 3.67Å; Y11-L40 HydrophobicContact CE2-CG 3.54Å; Y11-L40 VanDerWaalsContact CE2-O 3.31Å; Y11-L40 WeakPolarHBondContact CE2-O 3.37Å; Y11-L40 HydrophobicContact CG-CD2 3.9Å; Y11-L40 PolarHBondContact OH-O 3.44Å; Y11-M42 HydrophobicContact CD1-CE 2.96Å; Y11-M42 HydrophobicContact CE1-CB 4.17Å; Y11-M42 HydrophobicContact CE1-CE 3.06Å; Y11-M42 HydrophobicContact CE1-CG 4.12Å; Y11-M42 HydrophobicContact CE1-SD 4.43Å; Y11-M42 HydrophobicContact CG-CE 3.73Å; Y11-M42 PolarHBondContact OH-N 2.83Å; Y11-W44 HydrophobicContact CE1-CZ2 4.4Å |
| 12 | S | 72.2 | Confident | 77.8 | Confident | 66 Ų | 66 | 77.9 Ų | 77.9 | 46% | 0.462 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.2 | 57 | -178.2 | -52.9 | 0 | 0 | 0 | 0 | 112.8 | L10 K35 | L10-S12 PolarHBondContact O-N 3.42Å; S12-K35 WeakPolarHBondContact O-CE 2.99Å; S12-K35 PolarHBondContact O-NZ 3.2Å |
| 13 | D | 74.8 | Confident | 80.4 | Confident | 157 Ų | 157 | 73.8 Ų | 73.8 | 84% | 0.84 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | 0.8 | -177.1 | -43.7 | -48.8 | 0 | 0 | 0 | 117.3 | Y11 | Y11-D13 PolarHBondContact O-N 3.37Š|
| 14 | S | 85.5 | Confident | 82.7 | Confident | 23 Ų | 23 | 70.5 Ų | 70.5 | 16% | 0.161 | 37% | 0.374 | C | S | . | . | B | Isolated β-bridge | trans | -90.9 | 152.8 | 169.2 | -58.6 | 0 | 0 | 0 | 0 | 112.3 | Y11 L33 | Y11-S14 WeakPolarHBondContact CB-O 3.23Å; Y11-S14 WeakPolarHBondContact O-CB 3.45Å; Y11-S14 PolarHBondContact O-N 3.47Å; S14-L33 WeakPolarHBondContact CB-O 3.03Å |
| 15 | P | 87.2 | Confident | 84.4 | Confident | 57 Ų | 57 | 66.9 Ų | 66.9 | 37% | 0.37 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 143.5 | -178.8 | 29.1 | -34.9 | 0 | 0 | 0 | 112.8 | Y17 G32 L33 | P15-Y17 HydrophobicContact CB-CD1 4.41Å; P15-Y17 HydrophobicContact CB-CE1 3.83Å; P15-Y17 HydrophobicContact CG-CE1 3.81Å; P15-Y17 HydrophobicContact CG-CE2 4.1Å; P15-Y17 VanDerWaalsContact CG-CZ 3.45Å; P15-Y17 VanDerWaalsContact CG-OH 3.22Å; P15-Y17 WeakPolarHBondContact CG-OH 3.45Å; P15-G32 WeakPolarHBondContact O-CA 3.31Å; P15-L33 PolarHBondContact O-N 3.4Å |
| 16 | I | 92.5 | Very high | 85.6 | Confident | 65 Ų | 65 | 64.1 Ų | 64.1 | 33% | 0.333 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 124.9 | 164.5 | -62 | 172.4 | 0 | 0 | 0 | 107.5 | I9 Y11 T30 | I9-I16 HydrophobicContact CG2-CD1 4.1Å; Y11-I16 HydrophobicContact CD1-CD1 3.79Å; Y11-I16 HydrophobicContact CD1-CG1 3.49Å; Y11-I16 VanDerWaalsContact CD1-CG1 3.49Å; Y11-I16 HydrophobicContact CD2-CG1 4.36Å; Y11-I16 HydrophobicContact CE1-CD1 3.95Å; Y11-I16 HydrophobicContact CE1-CG1 3.67Å; Y11-I16 HydrophobicContact CG-CG1 3.94Å; I16-T30 HydrophobicContact CD1-CG2 4.39Å; I16-T30 HydrophobicContact CG2-CG2 4.21Å |
| 17 | Y | 93.3 | Very high | 86.8 | Confident | 106 Ų | 106 | 63.9 Ų | 63.9 | 42% | 0.416 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | -27.3 | -178.1 | -63.6 | -52.9 | 0 | 0 | 0 | 113.5 | P15 S31 L33 C72 | P15-Y17 HydrophobicContact CB-CD1 4.41Å; P15-Y17 HydrophobicContact CB-CE1 3.83Å; P15-Y17 HydrophobicContact CG-CE1 3.81Å; P15-Y17 HydrophobicContact CG-CE2 4.1Å; P15-Y17 VanDerWaalsContact CG-CZ 3.45Å; P15-Y17 VanDerWaalsContact CG-OH 3.22Å; P15-Y17 WeakPolarHBondContact CG-OH 3.45Å; Y17-S31 PolarHBondContact N-O 2.81Å; Y17-L33 HydrophobicContact CE2-CB 4.04Å; Y17-C72 HydrophobicContact CD2-CB 4.08Å; Y17-C72 HydrophobicContact CE2-CB 3.57Å |
| 18 | S | 95.1 | Very high | 87.9 | Confident | 10 Ų | 10 | 54.3 Ų | 54.3 | 7% | 0.07 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 154.3 | 179.5 | -165 | 0 | 0 | 0 | 0 | 112 | T30 S31 V76 R77 | S18-T30 CarbonylContact O-C 3.56Å; S18-T30 WeakPolarHBondContact O-CA 3.31Å; S18-S31 WeakPolarHBondContact CB-OG 3.21Å; S18-S31 PolarHBondContact N-O 3.09Å; S18-S31 PolarHBondContact O-N 3.13Å; S18-V76 PolarHBondContact OG-N 2.74Å; S18-R77 PolarHBondContact OG-NH1 3.22Å |
| 19 | I | 94.9 | Very high | 88.9 | Confident | 93 Ų | 93 | 51.3 Ų | 51.3 | 48% | 0.477 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 145 | 176.4 | -173.8 | 170.4 | 0 | 0 | 0 | 108.4 | F28 V29 T30 R77 | I19-F28 HydrophobicContact CD1-CD2 3.54Å; I19-F28 HydrophobicContact CD1-CE2 4Å; I19-F28 HydrophobicContact CD1-CG 4.3Å; I19-F28 HydrophobicContact CG1-CD2 3.91Å; I19-V29 CarbonylContact C-O 3.57Å; I19-V29 VanDerWaalsContact CA-O 3.26Å; I19-V29 WeakPolarHBondContact CA-O 3.38Å; I19-T30 HydrophobicContact CB-CG2 4.41Å; I19-T30 HydrophobicContact CD1-CG2 4.23Å; I19-T30 HydrophobicContact CG1-CG2 4.12Å; I19-R77 PolarHBondContact O-NH1 3.08Å |
| 20 | S | 95 | Very high | 89.7 | Confident | 18 Ų | 18 | 50.4 Ų | 50.4 | 13% | 0.126 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 137.2 | 170 | -165.6 | 0 | 0 | 0 | 0 | 109.5 | F28 V29 W78 | S20-F28 CarbonylContact O-C 3.47Å; S20-F28 VanDerWaalsContact O-CA 3.28Å; S20-F28 WeakPolarHBondContact O-CA 3.22Å; S20-F28 WeakPolarHBondContact O-CB 3.49Å; S20-V29 PolarHBondContact N-O 3.08Å; S20-V29 PolarHBondContact O-N 3.26Å; S20-W78 VanDerWaalsContact C-CD1 3.43Å; S20-W78 PolarHBondContact O-NE1 3.07Å; S20-W78 PolarHBondContact OG-N 3.01Å; S20-W78 VanDerWaalsContact OG-N 3.07Å |
| 21 | V | 93.5 | Very high | 90.4 | Very high | 66 Ų | 66 | 46.3 Ų | 46.3 | 40% | 0.4 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 138.7 | 174 | -176 | 0 | 0 | 0 | 0 | 109.1 | F28 L46 | V21-F28 HydrophobicContact CG2-CB 4.19Å; V21-L46 HydrophobicContact CG1-CD2 4.18Å |
| 22 | D | 93.7 | Very high | 91.1 | Very high | 10 Ų | 10 | 46.1 Ų | 46.1 | 5% | 0.053 | 27% | 0.274 | C | S | . | . | trans | -65.5 | 142.9 | 175.8 | 173.3 | 99.1 | 0 | 0 | 0 | 110 | S24 G25 K27 W78 | D22-S24 PolarHBondContact O-N 2.73Å; D22-S24 VanDerWaalsContact O-N 3.1Å; D22-S24 WeakPolarHBondContact OD2-CA 3.37Å; D22-S24 WeakPolarHBondContact OD2-CB 3.31Å; D22-S24 PolarHBondContact OD2-N 2.97Å; D22-S24 PolarHBondContact OD2-OG 3.21Å; D22-G25 PolarHBondContact O-N 2.98Å; D22-K27 HydrophobicContact CB-CG 3.68Å; D22-K27 VanDerWaalsContact CB-O 3.27Å; D22-K27 WeakPolarHBondContact CB-O 2.95Å; D22-K27 PolarHBondContact N-O 3Å; D22-W78 HydrophobicContact CB-CD2 3.98Å; D22-W78 HydrophobicContact CB-CE3 4.42Å; D22-W78 HydrophobicContact CB-CG 4.34Å; D22-W78 HydrophobicContact CB-CZ2 4.17Å; D22-W78 VanDerWaalsContact N-CD1 3.29Å | ||
| 23 | P | 92 | Very high | 92.1 | Very high | 81 Ų | 81 | 44.8 Ų | 44.8 | 53% | 0.526 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -26.9 | -177.7 | -25.5 | 32.6 | 0 | 0 | 0 | 115 | G25 S79 | P23-G25 PolarHBondContact O-N 3.39Å; P23-S79 WeakPolarHBondContact CG-O 3.37Å |
| 24 | S | 92 | Very high | 92.9 | Very high | 79 Ų | 79 | 37.6 Ų | 37.6 | 55% | 0.552 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75 | -11.5 | 174.9 | 72.2 | 0 | 0 | 0 | 0 | 113.6 | D22 T26 | D22-S24 PolarHBondContact O-N 2.73Å; D22-S24 VanDerWaalsContact O-N 3.1Å; D22-S24 WeakPolarHBondContact OD2-CA 3.37Å; D22-S24 WeakPolarHBondContact OD2-CB 3.31Å; D22-S24 PolarHBondContact OD2-N 2.97Å; D22-S24 PolarHBondContact OD2-OG 3.21Å; S24-T26 PolarHBondContact O-N 2.76Å; S24-T26 WeakPolarHBondContact OG-CG2 3.45Å; S24-T26 PolarHBondContact OG-N 2.72Å; S24-T26 PolarHBondContact OG-OG1 3.4Å |
| 25 | G | 90.8 | Very high | 93.1 | Very high | 40 Ų | 40 | 43.2 Ų | 43.2 | 41% | 0.412 | 25% | 0.245 | S | C | . | . | S | Bend | trans | 71 | 15 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | D22 P23 L46 | D22-G25 PolarHBondContact O-N 2.98Å; P23-G25 PolarHBondContact O-N 3.39Å; G25-L46 VanDerWaalsContact O-CD2 3.23Å; G25-L46 WeakPolarHBondContact O-CD2 3.33Å |
| 26 | T | 90.9 | Very high | 93.1 | Very high | 76 Ų | 76 | 44.9 Ų | 44.9 | 47% | 0.466 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -92.8 | -26.8 | -177.4 | 57.7 | 0 | 0 | 0 | 0 | 113.5 | S24 L46 | S24-T26 PolarHBondContact O-N 2.76Å; S24-T26 WeakPolarHBondContact OG-CG2 3.45Å; S24-T26 PolarHBondContact OG-N 2.72Å; S24-T26 PolarHBondContact OG-OG1 3.4Å; T26-L46 WeakPolarHBondContact O-CB 3.49Å; T26-L46 PolarHBondContact O-N 2.81Å |
| 27 | K | 92.4 | Very high | 93 | Very high | 16 Ų | 16 | 45.5 Ų | 45.5 | 7% | 0.07 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 165.9 | -177.1 | 54.4 | -175.9 | 160.7 | -168.2 | 0 | 112 | D22 I43 W44 L63 W78 E114 | D22-K27 HydrophobicContact CB-CG 3.68Å; D22-K27 VanDerWaalsContact CB-O 3.27Å; D22-K27 WeakPolarHBondContact CB-O 2.95Å; D22-K27 PolarHBondContact N-O 3Å; K27-I43 HydrophobicContact CB-CG2 4.37Å; K27-I43 HydrophobicContact CD-CG2 3.86Å; K27-W44 CarbonylContact C-O 3.07Å; K27-W44 WeakPolarHBondContact CA-O 3.33Å; K27-W44 WeakPolarHBondContact CB-O 3.46Å; K27-L63 HydrophobicContact CB-CD1 4.1Å; K27-L63 HydrophobicContact CD-CD1 4.15Å; K27-W78 HydrophobicContact CD-CH2 4.37Å; K27-W78 HydrophobicContact CD-CZ2 4.43Å; K27-W78 HydrophobicContact CG-CZ2 4.31Å; K27-E114 VanDerWaalsContact NZ-CD 3.26Å; K27-E114 IonicContact NZ-OE1 2.8Å; K27-E114 PolarHBondContact NZ-OE1 3.07Å; K27-E114 IonicContact NZ-OE2 3.92Å; K27-E114 PolarHBondContact NZ-OE2 3.41Å |
| 28 | F | 94.4 | Very high | 93.1 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.018 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 154.5 | 170.5 | 64.4 | -83 | 0 | 0 | 0 | 110.1 | I9 I19 S20 V21 T30 I43 W44 L46 A49 | I9-F28 HydrophobicContact CD1-CE1 4.35Å; I9-F28 HydrophobicContact CD1-CE2 3.89Å; I9-F28 HydrophobicContact CD1-CZ 3.35Å; I9-F28 HydrophobicContact CG1-CZ 4.02Å; I9-F28 HydrophobicContact CG2-CE2 4.24Å; I19-F28 HydrophobicContact CD1-CD2 3.54Å; I19-F28 HydrophobicContact CD1-CE2 4Å; I19-F28 HydrophobicContact CD1-CG 4.3Å; I19-F28 HydrophobicContact CG1-CD2 3.91Å; S20-F28 CarbonylContact O-C 3.47Å; S20-F28 VanDerWaalsContact O-CA 3.28Å; S20-F28 WeakPolarHBondContact O-CA 3.22Å; S20-F28 WeakPolarHBondContact O-CB 3.49Å; V21-F28 HydrophobicContact CG2-CB 4.19Å; F28-T30 HydrophobicContact CD2-CG2 4.05Å; F28-T30 HydrophobicContact CE2-CG2 3.95Å; F28-I43 WeakPolarHBondContact O-CA 3.1Å; F28-W44 HydrophobicContact CD1-CB 3.99Å; F28-W44 HydrophobicContact CD2-CB 4.19Å; F28-W44 AromaticContact CD2-CD1 3.65Å; F28-W44 HydrophobicContact CD2-CG 4.18Å; F28-W44 HydrophobicContact CE1-CB 3.43Å; F28-W44 VanDerWaalsContact CE1-CB 3.43Å; F28-W44 HydrophobicContact CE1-CG 4.2Å; F28-W44 HydrophobicContact CE2-CB 3.66Å; F28-W44 AromaticContact CE2-CD1 3.22Å; F28-W44 HydrophobicContact CE2-CD2 4.38Å; F28-W44 AromaticContact CE2-CG 3.5Å; F28-W44 HydrophobicContact CE2-CG 3.5Å; F28-W44 AromaticContact CE2-NE1 3.93Å; F28-W44 HydrophobicContact CG-CB 4.33Å; F28-W44 HydrophobicContact CZ-CB 3.22Å; F28-W44 AromaticContact CZ-CD1 3.74Å; F28-W44 HydrophobicContact CZ-CD2 4.33Å; F28-W44 AromaticContact CZ-CG 3.49Å; F28-W44 HydrophobicContact CZ-CG 3.49Å; F28-W44 VanDerWaalsContact CZ-CG 3.49Å; F28-W44 PolarHBondContact N-O 2.89Å; F28-W44 PolarHBondContact O-N 2.97Å; F28-L46 HydrophobicContact CD1-CB 4.08Å; F28-L46 HydrophobicContact CD1-CD1 3.55Å; F28-L46 HydrophobicContact CD1-CG 4.41Å; F28-L46 HydrophobicContact CE1-CD1 3.94Å; F28-A49 HydrophobicContact CE1-CB 3.75Å; F28-A49 HydrophobicContact CZ-CB 4.12Å |
| 29 | V | 95.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 137.8 | 177.2 | 66 | 0 | 0 | 0 | 0 | 108.6 | I19 S20 I41 M42 I43 V76 W78 F85 | I19-V29 CarbonylContact C-O 3.57Å; I19-V29 VanDerWaalsContact CA-O 3.26Å; I19-V29 WeakPolarHBondContact CA-O 3.38Å; S20-V29 PolarHBondContact N-O 3.08Å; S20-V29 PolarHBondContact O-N 3.26Å; V29-I41 HydrophobicContact CG2-CG2 3.49Å; V29-I41 VanDerWaalsContact CG2-CG2 3.49Å; V29-M42 CarbonylContact C-O 3.58Å; V29-M42 WeakPolarHBondContact CA-O 3.26Å; V29-I43 HydrophobicContact CB-CG1 4.3Å; V29-I43 HydrophobicContact CG2-CG1 3.96Å; V29-V76 HydrophobicContact CB-CG2 4.33Å; V29-V76 HydrophobicContact CG1-CB 4.29Å; V29-V76 HydrophobicContact CG1-CG1 3.86Å; V29-V76 HydrophobicContact CG1-CG2 3.41Å; V29-V76 VanDerWaalsContact CG1-CG2 3.41Å; V29-V76 HydrophobicContact CG2-CG2 3.9Å; V29-W78 HydrophobicContact CB-CZ2 4.06Å; V29-W78 HydrophobicContact CG1-CZ2 4.33Å; V29-W78 VanDerWaalsContact CG1-NE1 3.28Å; V29-F85 HydrophobicContact CG2-CE2 4.42Å; V29-F85 HydrophobicContact CG2-CZ 4.46Å |
| 30 | T | 95.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 150.7 | 169.6 | 56.5 | 0 | 0 | 0 | 0 | 109.3 | I9 Y11 I16 S18 I19 F28 I41 M42 W44 | I9-T30 HydrophobicContact CG2-CG2 4.34Å; Y11-T30 WeakPolarHBondContact CE1-OG1 2.94Å; Y11-T30 PolarHBondContact OH-O 2.78Å; Y11-T30 PolarHBondContact OH-OG1 3.27Å; I16-T30 HydrophobicContact CD1-CG2 4.39Å; I16-T30 HydrophobicContact CG2-CG2 4.21Å; S18-T30 CarbonylContact O-C 3.56Å; S18-T30 WeakPolarHBondContact O-CA 3.31Å; I19-T30 HydrophobicContact CB-CG2 4.41Å; I19-T30 HydrophobicContact CD1-CG2 4.23Å; I19-T30 HydrophobicContact CG1-CG2 4.12Å; F28-T30 HydrophobicContact CD2-CG2 4.05Å; F28-T30 HydrophobicContact CE2-CG2 3.95Å; T30-I41 WeakPolarHBondContact O-CA 3.45Å; T30-M42 PolarHBondContact N-O 3.49Å; T30-M42 PolarHBondContact O-N 3.37Å; T30-M42 VanDerWaalsContact O-N 3.09Å; T30-M42 PolarHBondContact OG1-O 3.03Å; T30-W44 PolarHBondContact OG1-NE1 3.39Å |
| 31 | S | 96.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 148.4 | 172.1 | 78.2 | 0 | 0 | 0 | 0 | 111.1 | Y11 Y17 S18 L40 I73 | Y11-S31 WeakPolarHBondContact OH-CA 3.44Å; Y11-S31 PolarHBondContact OH-N 2.92Å; Y17-S31 PolarHBondContact N-O 2.81Å; S18-S31 WeakPolarHBondContact CB-OG 3.21Å; S18-S31 PolarHBondContact N-O 3.09Å; S18-S31 PolarHBondContact O-N 3.13Å; S31-L40 CarbonylContact C-O 3.6Å; S31-L40 WeakPolarHBondContact CA-O 3.45Å; S31-I73 VanDerWaalsContact CB-CG2 3.44Å; S31-I73 WeakPolarHBondContact OG-CG2 3.41Å; S31-I73 PolarHBondContact OG-O 2.92Å |
| 32 | G | 95 | Very high | 93.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.2 | -153.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | P15 L40 I73 | P15-G32 WeakPolarHBondContact O-CA 3.31Å; G32-L40 PolarHBondContact N-O 3.32Å; G32-L40 PolarHBondContact O-N 3.42Å; G32-L40 VanDerWaalsContact O-N 3.09Å; G32-I73 PolarHBondContact O-N 3.16Å |
| 33 | L | 94.4 | Very high | 93.2 | Very high | 39 Ų | 39 | 32.8 Ų | 32.8 | 20% | 0.204 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 142.9 | 174.5 | -170.5 | 64.5 | 0 | 0 | 0 | 109.4 | Y11 S14 P15 Y17 S37 C72 | Y11-L33 WeakPolarHBondContact CD2-O 2.9Å; S14-L33 WeakPolarHBondContact CB-O 3.03Å; P15-L33 PolarHBondContact O-N 3.4Å; Y17-L33 HydrophobicContact CE2-CB 4.04Å; L33-S37 VanDerWaalsContact CD1-C 3.43Å; L33-S37 WeakPolarHBondContact CD1-O 3.12Å; L33-C72 HydrophobicContact CB-CB 4.22Å; L33-C72 HydrophobicContact CD1-CB 3.87Å |
| 34 | S | 91.4 | Very high | 93.3 | Very high | 5 Ų | 5 | 29.4 Ų | 29.4 | 4% | 0.035 | 18% | 0.178 | C | C | . | . | trans | -83.3 | 177 | 171.3 | 74.6 | 0 | 0 | 0 | 0 | 111.2 | T36 S37 T38 | S34-T36 PolarHBondContact O-N 3.15Å; S34-T36 PolarHBondContact OG-N 3.03Å; S34-T36 VanDerWaalsContact OG-N 3.13Å; S34-T36 PolarHBondContact OG-OG1 3.25Å; S34-S37 PolarHBondContact O-N 3.15Å; S34-S37 PolarHBondContact OG-N 3.46Å; S34-T38 WeakPolarHBondContact CB-O 3.34Å; S34-T38 PolarHBondContact N-O 2.97Å; S34-T38 PolarHBondContact OG-N 2.78Å; S34-T38 PolarHBondContact OG-O 2.9Å; S34-T38 VanDerWaalsContact OG-O 3.07Å; S34-T38 PolarHBondContact OG-OG1 3.06Å | ||
| 35 | K | 89 | Confident | 93.3 | Very high | 142 Ų | 142 | 26.7 Ų | 26.7 | 62% | 0.617 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69 | -23 | 169.3 | -68.3 | -169.2 | 176.5 | -169.7 | 0 | 113.1 | S12 | S12-K35 WeakPolarHBondContact O-CE 2.99Å; S12-K35 PolarHBondContact O-NZ 3.2Å |
| 36 | T | 87.9 | Confident | 93.2 | Very high | 91 Ų | 91 | 26.7 Ų | 26.7 | 56% | 0.558 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | 11.4 | 179.2 | 49.9 | 0 | 0 | 0 | 0 | 112.2 | S34 T38 | S34-T36 PolarHBondContact O-N 3.15Å; S34-T36 PolarHBondContact OG-N 3.03Å; S34-T36 VanDerWaalsContact OG-N 3.13Å; S34-T36 PolarHBondContact OG-OG1 3.25Å; T36-T38 PolarHBondContact O-N 3.02Å; T36-T38 PolarHBondContact OG1-OG1 3.38Å; T36-T38 VanDerWaalsContact OG1-OG1 3.09Å |
| 37 | S | 90.4 | Very high | 93 | Very high | 78 Ų | 78 | 27.6 Ų | 27.6 | 55% | 0.545 | 15% | 0.147 | S | C | . | . | S | Bend | trans | 61.7 | 20.2 | -177.1 | -57.6 | 0 | 0 | 0 | 0 | 114.6 | L33 S34 | L33-S37 VanDerWaalsContact CD1-C 3.43Å; L33-S37 WeakPolarHBondContact CD1-O 3.12Å; S34-S37 PolarHBondContact O-N 3.15Å; S34-S37 PolarHBondContact OG-N 3.46Å |
| 38 | T | 94.2 | Very high | 92.7 | Very high | 33 Ų | 33 | 27.8 Ų | 27.8 | 20% | 0.202 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -95.2 | 156.3 | 172.2 | 57.9 | 0 | 0 | 0 | 0 | 110.4 | S34 T36 E67 | S34-T38 WeakPolarHBondContact CB-O 3.34Å; S34-T38 PolarHBondContact N-O 2.97Å; S34-T38 PolarHBondContact OG-N 2.78Å; S34-T38 PolarHBondContact OG-O 2.9Å; S34-T38 VanDerWaalsContact OG-O 3.07Å; S34-T38 PolarHBondContact OG-OG1 3.06Å; T36-T38 PolarHBondContact O-N 3.02Å; T36-T38 PolarHBondContact OG1-OG1 3.38Å; T36-T38 VanDerWaalsContact OG1-OG1 3.09Å; T38-E67 VanDerWaalsContact OG1-CD 3.28Å; T38-E67 PolarHBondContact OG1-OE2 2.91Å |
| 39 | G | 95.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 138.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111 | E67 A68 H69 A71 | G39-E67 WeakPolarHBondContact O-CA 3.41Å; G39-A68 CarbonylContact C-O 3.53Å; G39-A68 WeakPolarHBondContact CA-O 3.44Å; G39-A68 PolarHBondContact N-O 3.01Å; G39-A68 PolarHBondContact O-N 2.93Å; G39-H69 PolarHBondContact N-O 3.22Å; G39-A71 WeakPolarHBondContact CA-O 3.4Å; G39-A71 PolarHBondContact N-O 3.41Å |
| 40 | L | 95.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 124.3 | -176.5 | 179.6 | 59.7 | 0 | 0 | 0 | 110.8 | Y11 S31 G32 M42 R65 M66 | Y11-L40 HydrophobicContact CD2-CB 4.04Å; Y11-L40 HydrophobicContact CD2-CD2 3.48Å; Y11-L40 VanDerWaalsContact CD2-CD2 3.48Å; Y11-L40 HydrophobicContact CD2-CG 3.91Å; Y11-L40 HydrophobicContact CE2-CB 3.6Å; Y11-L40 HydrophobicContact CE2-CD2 3.67Å; Y11-L40 HydrophobicContact CE2-CG 3.54Å; Y11-L40 VanDerWaalsContact CE2-O 3.31Å; Y11-L40 WeakPolarHBondContact CE2-O 3.37Å; Y11-L40 HydrophobicContact CG-CD2 3.9Å; Y11-L40 PolarHBondContact OH-O 3.44Å; S31-L40 CarbonylContact C-O 3.6Å; S31-L40 WeakPolarHBondContact CA-O 3.45Å; G32-L40 PolarHBondContact N-O 3.32Å; G32-L40 PolarHBondContact O-N 3.42Å; G32-L40 VanDerWaalsContact O-N 3.09Å; L40-M42 HydrophobicContact CD1-CG 4.26Å; L40-M42 HydrophobicContact CD2-CE 4.32Å; L40-M42 HydrophobicContact CG-CG 4.24Å; L40-R65 HydrophobicContact CD1-CG 3.86Å; L40-M66 WeakPolarHBondContact CD1-O 3.47Å |
| 41 | I | 95.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 130.6 | 173.7 | -53.8 | 162.8 | 0 | 0 | 0 | 107.6 | V29 T30 M66 A68 I73 F85 T87 W97 | V29-I41 HydrophobicContact CG2-CG2 3.49Å; V29-I41 VanDerWaalsContact CG2-CG2 3.49Å; T30-I41 WeakPolarHBondContact O-CA 3.45Å; I41-M66 HydrophobicContact CB-CG 3.53Å; I41-M66 HydrophobicContact CB-SD 3.98Å; I41-M66 HydrophobicContact CD1-CG 3.97Å; I41-M66 HydrophobicContact CD1-SD 3.71Å; I41-M66 HydrophobicContact CG1-CG 4.21Å; I41-M66 HydrophobicContact CG1-SD 4.44Å; I41-M66 HydrophobicContact CG2-CE 4.34Å; I41-M66 HydrophobicContact CG2-CG 4.15Å; I41-M66 HydrophobicContact CG2-SD 4.07Å; I41-M66 PolarHBondContact N-O 3.13Å; I41-M66 PolarHBondContact O-N 2.96Å; I41-A68 HydrophobicContact CD1-CB 3.48Å; I41-A68 VanDerWaalsContact CD1-CB 3.48Å; I41-A68 HydrophobicContact CG1-CB 4.17Å; I41-I73 HydrophobicContact CD1-CD1 3.91Å; I41-I73 HydrophobicContact CG1-CD1 3.35Å; I41-F85 HydrophobicContact CD1-CE2 4.21Å; I41-F85 HydrophobicContact CG2-CE2 3.99Å; I41-F85 HydrophobicContact CG2-CZ 3.93Å; I41-T87 HydrophobicContact CD1-CG2 3.69Å; I41-T87 HydrophobicContact CG1-CG2 4.08Å; I41-W97 HydrophobicContact CD1-CD2 4.34Å; I41-W97 HydrophobicContact CD1-CZ2 3.92Å |
| 42 | M | 94.3 | Very high | 89.6 | Confident | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.015 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 138.8 | 171.6 | -66.9 | -156.2 | -78.7 | 0 | 0 | 110.2 | Y11 V29 T30 L40 W44 L62 C64 R65 | Y11-M42 HydrophobicContact CD1-CE 2.96Å; Y11-M42 HydrophobicContact CE1-CB 4.17Å; Y11-M42 HydrophobicContact CE1-CE 3.06Å; Y11-M42 HydrophobicContact CE1-CG 4.12Å; Y11-M42 HydrophobicContact CE1-SD 4.43Å; Y11-M42 HydrophobicContact CG-CE 3.73Å; Y11-M42 PolarHBondContact OH-N 2.83Å; V29-M42 CarbonylContact C-O 3.58Å; V29-M42 WeakPolarHBondContact CA-O 3.26Å; T30-M42 PolarHBondContact N-O 3.49Å; T30-M42 PolarHBondContact O-N 3.37Å; T30-M42 VanDerWaalsContact O-N 3.09Å; T30-M42 PolarHBondContact OG1-O 3.03Å; L40-M42 HydrophobicContact CD1-CG 4.26Å; L40-M42 HydrophobicContact CD2-CE 4.32Å; L40-M42 HydrophobicContact CG-CG 4.24Å; M42-W44 HydrophobicContact CB-CZ2 3.8Å; M42-W44 HydrophobicContact CE-CH2 3.79Å; M42-W44 HydrophobicContact CE-CZ2 3.47Å; M42-W44 VanDerWaalsContact CE-CZ2 3.47Å; M42-W44 HydrophobicContact CG-CZ2 4.46Å; M42-W44 PolarHBondContact O-NE1 2.94Å; M42-W44 HydrophobicContact SD-CH2 4.16Å; M42-W44 HydrophobicContact SD-CZ2 4.01Å; M42-L62 HydrophobicContact CB-CD1 3.91Å; M42-L62 HydrophobicContact CG-CD1 4.21Å; M42-L62 HydrophobicContact SD-CD1 3.84Å; M42-L62 HydrophobicContact SD-CD2 4.38Å; M42-C64 VanDerWaalsContact CA-O 3.31Å; M42-C64 WeakPolarHBondContact CA-O 3.23Å; M42-R65 HydrophobicContact CG-CB 4.33Å; M42-R65 HydrophobicContact CG-CG 4.1Å; M42-R65 HydrophobicContact SD-CB 4.44Å; M42-R65 HydrophobicContact SD-CG 4.1Å; M42-R65 PolarHBondContact SD-NH1 2.8Å; M42-R65 VanDerWaalsContact SD-NH1 3.39Å |
| 43 | I | 94.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 133.6 | 178.6 | -57.6 | 172.4 | 0 | 0 | 0 | 107.6 | K27 F28 V29 L63 C64 M66 F85 W116 | K27-I43 HydrophobicContact CB-CG2 4.37Å; K27-I43 HydrophobicContact CD-CG2 3.86Å; F28-I43 WeakPolarHBondContact O-CA 3.1Å; V29-I43 HydrophobicContact CB-CG1 4.3Å; V29-I43 HydrophobicContact CG2-CG1 3.96Å; I43-L63 HydrophobicContact CB-CB 4.47Å; I43-L63 HydrophobicContact CG2-CB 4.21Å; I43-L63 HydrophobicContact CG2-CD1 4.3Å; I43-L63 WeakPolarHBondContact O-CA 3.11Å; I43-L63 WeakPolarHBondContact O-CB 3.29Å; I43-L63 PolarHBondContact O-N 3.33Å; I43-C64 HydrophobicContact CB-CB 3.89Å; I43-C64 HydrophobicContact CD1-CB 3.92Å; I43-C64 HydrophobicContact CG1-CB 4.11Å; I43-C64 PolarHBondContact N-O 2.98Å; I43-C64 PolarHBondContact O-N 3.07Å; I43-M66 HydrophobicContact CD1-CE 4.21Å; I43-F85 HydrophobicContact CD1-CE1 3.75Å; I43-F85 HydrophobicContact CD1-CZ 4.25Å; I43-W116 HydrophobicContact CD1-CD2 3.8Å; I43-W116 HydrophobicContact CD1-CG 3.99Å; I43-W116 HydrophobicContact CD1-CZ2 3.78Å |
| 44 | W | 93.2 | Very high | 86.8 | Confident | 10 Ų | 10 | 45.1 Ų | 45.1 | 4% | 0.038 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 144.1 | -168.7 | -49.2 | 88.8 | 0 | 0 | 0 | 110.3 | I9 Y11 K27 F28 T30 M42 L46 L61 L62 | I9-W44 HydrophobicContact CG2-CD2 4.41Å; I9-W44 HydrophobicContact CG2-CH2 4.3Å; I9-W44 HydrophobicContact CG2-CZ2 3.78Å; Y11-W44 HydrophobicContact CE1-CZ2 4.4Å; K27-W44 CarbonylContact C-O 3.07Å; K27-W44 WeakPolarHBondContact CA-O 3.33Å; K27-W44 WeakPolarHBondContact CB-O 3.46Å; F28-W44 HydrophobicContact CD1-CB 3.99Å; F28-W44 HydrophobicContact CD2-CB 4.19Å; F28-W44 AromaticContact CD2-CD1 3.65Å; F28-W44 HydrophobicContact CD2-CG 4.18Å; F28-W44 HydrophobicContact CE1-CB 3.43Å; F28-W44 VanDerWaalsContact CE1-CB 3.43Å; F28-W44 HydrophobicContact CE1-CG 4.2Å; F28-W44 HydrophobicContact CE2-CB 3.66Å; F28-W44 AromaticContact CE2-CD1 3.22Å; F28-W44 HydrophobicContact CE2-CD2 4.38Å; F28-W44 AromaticContact CE2-CG 3.5Å; F28-W44 HydrophobicContact CE2-CG 3.5Å; F28-W44 AromaticContact CE2-NE1 3.93Å; F28-W44 HydrophobicContact CG-CB 4.33Å; F28-W44 HydrophobicContact CZ-CB 3.22Å; F28-W44 AromaticContact CZ-CD1 3.74Å; F28-W44 HydrophobicContact CZ-CD2 4.33Å; F28-W44 AromaticContact CZ-CG 3.49Å; F28-W44 HydrophobicContact CZ-CG 3.49Å; F28-W44 VanDerWaalsContact CZ-CG 3.49Å; F28-W44 PolarHBondContact N-O 2.89Å; F28-W44 PolarHBondContact O-N 2.97Å; T30-W44 PolarHBondContact OG1-NE1 3.39Å; M42-W44 HydrophobicContact CB-CZ2 3.8Å; M42-W44 HydrophobicContact CE-CH2 3.79Å; M42-W44 HydrophobicContact CE-CZ2 3.47Å; M42-W44 VanDerWaalsContact CE-CZ2 3.47Å; M42-W44 HydrophobicContact CG-CZ2 4.46Å; M42-W44 PolarHBondContact O-NE1 2.94Å; M42-W44 HydrophobicContact SD-CH2 4.16Å; M42-W44 HydrophobicContact SD-CZ2 4.01Å; W44-L46 PolarHBondContact O-N 2.94Å; W44-L61 CarbonylContact C-O 3.59Å; W44-L61 VanDerWaalsContact CA-O 3.26Å; W44-L61 WeakPolarHBondContact CA-O 3.17Å; W44-L61 HydrophobicContact CE3-CG 4.08Å; W44-L61 HydrophobicContact CZ3-CD2 4.49Å; W44-L61 HydrophobicContact CZ3-CG 4.44Å; W44-L62 HydrophobicContact CD2-CD1 4.04Å; W44-L62 HydrophobicContact CE3-CB 4.2Å; W44-L62 HydrophobicContact CE3-CD1 3.78Å; W44-L62 HydrophobicContact CH2-CD1 4.1Å; W44-L62 HydrophobicContact CZ2-CD1 4.34Å; W44-L62 HydrophobicContact CZ3-CB 4.2Å; W44-L62 HydrophobicContact CZ3-CD1 3.8Å |
| 45 | D | 91.3 | Very high | 85 | Confident | 22 Ų | 22 | 51 Ų | 51 | 12% | 0.118 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 122.9 | 169.6 | -174.1 | -71.8 | 0 | 0 | 0 | 108.9 | Q47 A48 A49 L61 L63 | D45-Q47 WeakPolarHBondContact OD1-CA 3.35Å; D45-Q47 WeakPolarHBondContact OD1-CB 3.47Å; D45-Q47 PolarHBondContact OD1-N 3.03Å; D45-A48 HydrophobicContact CB-CB 3.9Å; D45-A48 PolarHBondContact OD1-N 3.37Å; D45-A49 WeakPolarHBondContact O-CB 3.49Å; D45-A49 PolarHBondContact O-N 2.84Å; D45-A49 VanDerWaalsContact O-N 3.13Å; D45-L61 PolarHBondContact N-O 2.61Å; D45-L63 HydrophobicContact CB-CD1 4.08Å; D45-L63 HydrophobicContact CB-CD2 4.21Å; D45-L63 HydrophobicContact CB-CG 4.14Å |
| 46 | L | 89.6 | Confident | 83.4 | Confident | 41 Ų | 41 | 50.8 Ų | 50.8 | 22% | 0.215 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70.4 | -38.1 | -175.5 | -176 | 63.1 | 0 | 0 | 0 | 111.1 | V21 G25 T26 F28 W44 A49 L50 | V21-L46 HydrophobicContact CG1-CD2 4.18Å; G25-L46 VanDerWaalsContact O-CD2 3.23Å; G25-L46 WeakPolarHBondContact O-CD2 3.33Å; T26-L46 WeakPolarHBondContact O-CB 3.49Å; T26-L46 PolarHBondContact O-N 2.81Å; F28-L46 HydrophobicContact CD1-CB 4.08Å; F28-L46 HydrophobicContact CD1-CD1 3.55Å; F28-L46 HydrophobicContact CD1-CG 4.41Å; F28-L46 HydrophobicContact CE1-CD1 3.94Å; W44-L46 PolarHBondContact O-N 2.94Å; L46-A49 PolarHBondContact O-N 3.47Å; L46-L50 HydrophobicContact CD1-CG 4.47Å; L46-L50 HydrophobicContact CG-CD1 4.14Å; L46-L50 HydrophobicContact CG-CG 4.49Å; L46-L50 VanDerWaalsContact O-CG 3.29Å; L46-L50 WeakPolarHBondContact O-CG 3.45Å; L46-L50 PolarHBondContact O-N 3.17Å |
| 47 | Q | 86.1 | Confident | 81.9 | Confident | 95 Ų | 95 | 52.6 Ų | 52.6 | 44% | 0.444 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -69.1 | -43.1 | -178 | -170.9 | 62.6 | 22.8 | 0 | 0 | 110.8 | D45 A49 L50 L51 | D45-Q47 WeakPolarHBondContact OD1-CA 3.35Å; D45-Q47 WeakPolarHBondContact OD1-CB 3.47Å; D45-Q47 PolarHBondContact OD1-N 3.03Å; Q47-A49 VanDerWaalsContact C-N 3.28Å; Q47-A49 PolarHBondContact O-N 2.86Å; Q47-L50 PolarHBondContact O-N 2.8Å; Q47-L51 HydrophobicContact CG-CD1 3.98Å; Q47-L51 WeakPolarHBondContact O-CB 3.36Å; Q47-L51 WeakPolarHBondContact O-CG 3.22Å; Q47-L51 PolarHBondContact O-N 2.79Å |
| 48 | A | 86.1 | Confident | 80.7 | Confident | 20 Ų | 20 | 59.7 Ų | 59.7 | 17% | 0.165 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.5 | -38.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | D45 L51 E52 R59 L61 | D45-A48 HydrophobicContact CB-CB 3.9Å; D45-A48 PolarHBondContact OD1-N 3.37Å; A48-L51 PolarHBondContact O-N 3.17Å; A48-E52 PolarHBondContact O-N 3.24Å; A48-R59 HydrophobicContact CB-CB 4.25Å; A48-L61 HydrophobicContact CB-CB 4.48Å; A48-L61 HydrophobicContact CB-CD1 4.06Å |
| 49 | A | 85.6 | Confident | 79.6 | Confident | 5 Ų | 5 | 64.3 Ų | 64.3 | 4% | 0.041 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.7 | -34.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I9 F28 D45 L46 Q47 L61 | I9-A49 HydrophobicContact CD1-CB 4.19Å; F28-A49 HydrophobicContact CE1-CB 3.75Å; F28-A49 HydrophobicContact CZ-CB 4.12Å; D45-A49 WeakPolarHBondContact O-CB 3.49Å; D45-A49 PolarHBondContact O-N 2.84Å; D45-A49 VanDerWaalsContact O-N 3.13Å; L46-A49 PolarHBondContact O-N 3.47Å; Q47-A49 VanDerWaalsContact C-N 3.28Å; Q47-A49 PolarHBondContact O-N 2.86Å; A49-L61 HydrophobicContact CB-CD1 3.79Å |
| 50 | L | 82.9 | Confident | 78.8 | Confident | 104 Ų | 104 | 66.4 Ų | 66.4 | 55% | 0.545 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -76.8 | -27.5 | 177.8 | -70.2 | 173.4 | 0 | 0 | 0 | 113 | L46 Q47 | L46-L50 HydrophobicContact CD1-CG 4.47Å; L46-L50 HydrophobicContact CG-CD1 4.14Å; L46-L50 HydrophobicContact CG-CG 4.49Å; L46-L50 VanDerWaalsContact O-CG 3.29Å; L46-L50 WeakPolarHBondContact O-CG 3.45Å; L46-L50 PolarHBondContact O-N 3.17Å; Q47-L50 PolarHBondContact O-N 2.8Å |
| 51 | L | 80.1 | Confident | 78.3 | Confident | 63 Ų | 63 | 68.4 Ų | 68.4 | 33% | 0.33 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 8.4 | -179.8 | -67.7 | 178.4 | 0 | 0 | 0 | 113.6 | Q47 A48 G53 T54 | Q47-L51 HydrophobicContact CG-CD1 3.98Å; Q47-L51 WeakPolarHBondContact O-CB 3.36Å; Q47-L51 WeakPolarHBondContact O-CG 3.22Å; Q47-L51 PolarHBondContact O-N 2.79Å; A48-L51 PolarHBondContact O-N 3.17Å; L51-G53 PolarHBondContact O-N 3.09Å; L51-T54 PolarHBondContact O-N 3.32Å; L51-T54 PolarHBondContact O-OG1 2.99Å |
| 52 | E | 68.2 | Low | 78 | Confident | 74 Ų | 74 | 71.8 Ų | 71.8 | 35% | 0.346 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | 125 | -179.4 | -165.1 | -170.1 | -173.8 | 0 | 0 | 110.8 | P6 Y7 T8 A48 | P6-E52 WeakPolarHBondContact CA-OE2 3.49Å; P6-E52 WeakPolarHBondContact CB-OE2 3.13Å; Y7-E52 PolarHBondContact N-OE1 3.09Å; Y7-E52 PolarHBondContact N-OE2 3.45Å; T8-E52 VanDerWaalsContact CB-OE1 3.23Å; T8-E52 WeakPolarHBondContact CB-OE1 3.45Å; T8-E52 HydrophobicContact CG2-CG 4.36Å; T8-E52 WeakPolarHBondContact CG2-OE1 2.71Å; T8-E52 PolarHBondContact N-OE1 3Å; T8-E52 VanDerWaalsContact N-OE1 3.08Å; T8-E52 PolarHBondContact OG1-OE1 2.93Å; T8-E52 PolarHBondContact OG1-OE2 2.83Å; A48-E52 PolarHBondContact O-N 3.24Å |
| 53 | G | 64.7 | Low | 77.8 | Confident | 81 Ų | 81 | 72.7 Ų | 72.7 | 84% | 0.835 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.8 | -3.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | L51 | L51-G53 PolarHBondContact O-N 3.09Š|
| 54 | T | 66.2 | Low | 77.7 | Confident | 80 Ų | 80 | 73.1 Ų | 73.1 | 49% | 0.491 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -94.5 | 134.5 | 171 | 64.7 | 0 | 0 | 0 | 0 | 111.3 | L51 N56 | L51-T54 PolarHBondContact O-N 3.32Å; L51-T54 PolarHBondContact O-OG1 2.99Å; T54-N56 VanDerWaalsContact C-N 3.25Å; T54-N56 PolarHBondContact O-N 3.11Å |
| 55 | P | 54.5 | Low | 77.7 | Confident | 129 Ų | 129 | 78.5 Ų | 78.5 | 84% | 0.838 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -79.7 | 70 | 175.3 | 31.9 | -32.9 | 0 | 0 | 0 | 110.3 | ||
| 56 | N | 53.9 | Low | 77.8 | Confident | 137 Ų | 137 | 78.5 Ų | 78.5 | 73% | 0.733 | 41% | 0.408 | S | S | * | . | trans | -179 | 107.1 | 159.2 | -113.9 | -20.3 | 0 | 0 | 0 | 114.6 | T54 | T54-N56 VanDerWaalsContact C-N 3.25Å; T54-N56 PolarHBondContact O-N 3.11Å | ||
| 57 | E | 58.2 | Low | 77.9 | Confident | 130 Ų | 130 | 81.7 Ų | 81.7 | 61% | 0.607 | 42% | 0.422 | S | S | * | . | 167.3 | 139.1 | 116.2 | -99.9 | -169 | 179.6 | 0 | 0 | 106.4 | R59 | E57-R59 HydrophobicContact CB-CG 4.44Å; E57-R59 PolarHBondContact O-N 2.83Å; E57-R59 IonicContact OE2-CZ 3.28Å; E57-R59 IonicContact OE2-NE 2.93Å; E57-R59 PolarHBondContact OE2-NE 2.93Å; E57-R59 IonicContact OE2-NH2 3.24Å; E57-R59 PolarHBondContact OE2-NH2 2.81Å | |||
| 58 | R | 64.9 | Low | 78.2 | Confident | 226 Ų | 226 | 77.6 Ų | 77.6 | 85% | 0.853 | 40% | 0.404 | S | S | * | . | trans | -68.2 | 47.5 | -177.4 | -65 | -178.9 | 178.3 | -180 | -2.9 | 113.5 | ||||
| 59 | R | 70.1 | Confident | 78.7 | Confident | 130 Ų | 130 | 77.3 Ų | 77.3 | 49% | 0.491 | 40% | 0.399 | S | S | . | . | trans | -96.3 | 125.5 | 179 | -69.5 | 179.9 | -174.7 | -101.8 | -2.6 | 109.4 | A48 E57 L61 | A48-R59 HydrophobicContact CB-CB 4.25Å; E57-R59 HydrophobicContact CB-CG 4.44Å; E57-R59 PolarHBondContact O-N 2.83Å; E57-R59 IonicContact OE2-CZ 3.28Å; E57-R59 IonicContact OE2-NE 2.93Å; E57-R59 PolarHBondContact OE2-NE 2.93Å; E57-R59 IonicContact OE2-NH2 3.24Å; E57-R59 PolarHBondContact OE2-NH2 2.81Å; R59-L61 PolarHBondContact O-N 3.24Å | ||
| 60 | P | 78.5 | Confident | 79.3 | Confident | 45 Ų | 45 | 81.6 Ų | 81.6 | 29% | 0.292 | 43% | 0.429 | S | S | . | . | trans | -64.6 | 125.4 | 171.9 | 28.3 | -34.4 | 0 | 0 | 0 | 109.1 | L63 V111 | P60-L63 HydrophobicContact CG-CD2 3.99Å; P60-V111 HydrophobicContact CG-CB 3.91Å; P60-V111 HydrophobicContact CG-CG1 3.87Å; P60-V111 HydrophobicContact CG-CG2 4.24Å | ||
| 61 | L | 86.5 | Confident | 79.9 | Confident | 41 Ų | 41 | 77.9 Ų | 77.9 | 22% | 0.215 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -65.1 | -44.4 | 175.2 | 174.9 | 65 | 0 | 0 | 0 | 111.2 | T8 W44 D45 A48 A49 R59 | T8-L61 VanDerWaalsContact CB-CD2 3.44Å; T8-L61 HydrophobicContact CG2-CD2 4.17Å; T8-L61 VanDerWaalsContact OG1-CD2 3.31Å; T8-L61 WeakPolarHBondContact OG1-CD2 3.25Å; W44-L61 CarbonylContact C-O 3.59Å; W44-L61 VanDerWaalsContact CA-O 3.26Å; W44-L61 WeakPolarHBondContact CA-O 3.17Å; W44-L61 HydrophobicContact CE3-CG 4.08Å; W44-L61 HydrophobicContact CZ3-CD2 4.49Å; W44-L61 HydrophobicContact CZ3-CG 4.44Å; D45-L61 PolarHBondContact N-O 2.61Å; A48-L61 HydrophobicContact CB-CB 4.48Å; A48-L61 HydrophobicContact CB-CD1 4.06Å; A49-L61 HydrophobicContact CB-CD1 3.79Å; R59-L61 PolarHBondContact O-N 3.24Å |
| 62 | L | 89 | Confident | 80.6 | Confident | 71 Ų | 71 | 76 Ų | 76 | 37% | 0.372 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 116 | 178.4 | -177.8 | 68 | 0 | 0 | 0 | 109.3 | M42 W44 C64 R65 | M42-L62 HydrophobicContact CB-CD1 3.91Å; M42-L62 HydrophobicContact CG-CD1 4.21Å; M42-L62 HydrophobicContact SD-CD1 3.84Å; M42-L62 HydrophobicContact SD-CD2 4.38Å; W44-L62 HydrophobicContact CD2-CD1 4.04Å; W44-L62 HydrophobicContact CE3-CB 4.2Å; W44-L62 HydrophobicContact CE3-CD1 3.78Å; W44-L62 HydrophobicContact CH2-CD1 4.1Å; W44-L62 HydrophobicContact CZ2-CD1 4.34Å; W44-L62 HydrophobicContact CZ3-CB 4.2Å; W44-L62 HydrophobicContact CZ3-CD1 3.8Å; L62-C64 WeakPolarHBondContact CD1-O 3.12Å; L62-R65 HydrophobicContact CD2-CB 4.41Å |
| 63 | L | 90.7 | Very high | 82 | Confident | 23 Ų | 23 | 72.4 Ų | 72.4 | 12% | 0.12 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | -34.6 | -179.3 | -61.3 | 178.6 | 0 | 0 | 0 | 112.1 | K27 I43 D45 P60 P113 E114 | K27-L63 HydrophobicContact CB-CD1 4.1Å; K27-L63 HydrophobicContact CD-CD1 4.15Å; I43-L63 HydrophobicContact CB-CB 4.47Å; I43-L63 HydrophobicContact CG2-CB 4.21Å; I43-L63 HydrophobicContact CG2-CD1 4.3Å; I43-L63 WeakPolarHBondContact O-CA 3.11Å; I43-L63 WeakPolarHBondContact O-CB 3.29Å; I43-L63 PolarHBondContact O-N 3.33Å; D45-L63 HydrophobicContact CB-CD1 4.08Å; D45-L63 HydrophobicContact CB-CD2 4.21Å; D45-L63 HydrophobicContact CB-CG 4.14Å; P60-L63 HydrophobicContact CG-CD2 3.99Å; L63-P113 CarbonylContact O-C 3.56Å; L63-P113 WeakPolarHBondContact O-CA 3.46Å; L63-E114 HydrophobicContact CB-CG 4.1Å; L63-E114 PolarHBondContact O-N 3.45Å |
| 64 | C | 92.1 | Very high | 83.5 | Confident | 9 Ų | 9 | 69.4 Ų | 69.4 | 6% | 0.061 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 145.5 | -179.9 | -168.8 | 0 | 0 | 0 | 0 | 111.2 | M42 I43 L62 M66 E114 | M42-C64 VanDerWaalsContact CA-O 3.31Å; M42-C64 WeakPolarHBondContact CA-O 3.23Å; I43-C64 HydrophobicContact CB-CB 3.89Å; I43-C64 HydrophobicContact CD1-CB 3.92Å; I43-C64 HydrophobicContact CG1-CB 4.11Å; I43-C64 PolarHBondContact N-O 2.98Å; I43-C64 PolarHBondContact O-N 3.07Å; L62-C64 WeakPolarHBondContact CD1-O 3.12Å; C64-M66 HydrophobicContact CB-CE 4.44Å; C64-M66 WeakPolarHBondContact SG-CE 3.4Å; C64-E114 HydrophobicContact CB-CB 4.21Å; C64-E114 PolarHBondContact SG-O 3.48Å |
| 65 | R | 92.6 | Very high | 85.1 | Confident | 122 Ų | 122 | 65.7 Ų | 65.7 | 46% | 0.46 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 126.2 | 167.3 | -179.1 | -174.8 | 178.4 | 96.6 | -1.2 | 108.5 | L40 M42 L62 | L40-R65 HydrophobicContact CD1-CG 3.86Å; M42-R65 HydrophobicContact CG-CB 4.33Å; M42-R65 HydrophobicContact CG-CG 4.1Å; M42-R65 HydrophobicContact SD-CB 4.44Å; M42-R65 HydrophobicContact SD-CG 4.1Å; M42-R65 PolarHBondContact SD-NH1 2.8Å; M42-R65 VanDerWaalsContact SD-NH1 3.39Å; L62-R65 HydrophobicContact CD2-CB 4.41Å |
| 66 | M | 93.2 | Very high | 87.1 | Confident | 23 Ų | 23 | 59.5 Ų | 59.5 | 11% | 0.113 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 135.6 | 177.5 | 64.8 | -172.4 | 77.4 | 0 | 0 | 110.6 | L40 I41 I43 C64 F85 W97 W116 | L40-M66 WeakPolarHBondContact CD1-O 3.47Å; I41-M66 HydrophobicContact CB-CG 3.53Å; I41-M66 HydrophobicContact CB-SD 3.98Å; I41-M66 HydrophobicContact CD1-CG 3.97Å; I41-M66 HydrophobicContact CD1-SD 3.71Å; I41-M66 HydrophobicContact CG1-CG 4.21Å; I41-M66 HydrophobicContact CG1-SD 4.44Å; I41-M66 HydrophobicContact CG2-CE 4.34Å; I41-M66 HydrophobicContact CG2-CG 4.15Å; I41-M66 HydrophobicContact CG2-SD 4.07Å; I41-M66 PolarHBondContact N-O 3.13Å; I41-M66 PolarHBondContact O-N 2.96Å; I43-M66 HydrophobicContact CD1-CE 4.21Å; C64-M66 HydrophobicContact CB-CE 4.44Å; C64-M66 WeakPolarHBondContact SG-CE 3.4Å; M66-F85 HydrophobicContact CE-CZ 4.25Å; M66-F85 HydrophobicContact SD-CZ 4.33Å; M66-W97 HydrophobicContact SD-CD2 4.09Å; M66-W97 HydrophobicContact SD-CE3 3.66Å; M66-W97 HydrophobicContact SD-CH2 4.34Å; M66-W97 HydrophobicContact SD-CZ3 3.78Å; M66-W116 HydrophobicContact CE-CB 3.45Å; M66-W116 VanDerWaalsContact CE-CB 3.45Å; M66-W116 HydrophobicContact CE-CG 3.76Å; M66-W116 HydrophobicContact SD-CB 4.39Å |
| 67 | E | 92.7 | Very high | 89.2 | Confident | 108 Ų | 108 | 54.9 Ų | 54.9 | 51% | 0.505 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 129.1 | 164 | -64.4 | -164.5 | -169.8 | 0 | 0 | 108.5 | T38 G39 | T38-E67 VanDerWaalsContact OG1-CD 3.28Å; T38-E67 PolarHBondContact OG1-OE2 2.91Å; G39-E67 WeakPolarHBondContact O-CA 3.41Å |
| 68 | A | 92.3 | Very high | 91.1 | Very high | 9 Ų | 9 | 49.4 Ų | 49.4 | 7% | 0.074 | 24% | 0.236 | C | C | . | . | trans | -147.4 | 156.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | G39 I41 I73 W97 | G39-A68 CarbonylContact C-O 3.53Å; G39-A68 WeakPolarHBondContact CA-O 3.44Å; G39-A68 PolarHBondContact N-O 3.01Å; G39-A68 PolarHBondContact O-N 2.93Å; I41-A68 HydrophobicContact CD1-CB 3.48Å; I41-A68 VanDerWaalsContact CD1-CB 3.48Å; I41-A68 HydrophobicContact CG1-CB 4.17Å; A68-I73 HydrophobicContact CB-CD1 4.22Å; A68-W97 HydrophobicContact CB-CH2 3.59Å; A68-W97 HydrophobicContact CB-CZ2 3.4Å; A68-W97 VanDerWaalsContact CB-CZ2 3.4Å | ||
| 69 | H | 96.9 | Very high | 92.6 | Very high | 13 Ų | 13 | 38.7 Ų | 38.7 | 6% | 0.06 | 20% | 0.196 | C | C | . | . | S | Bend | trans | 58.3 | 143.5 | -174.1 | -64.9 | -96.4 | 0 | 0 | 0 | 113.9 | G39 A71 I73 T87 G89 D91 L93 | G39-H69 PolarHBondContact N-O 3.22Å; H69-A71 WeakPolarHBondContact CB-O 3.37Å; H69-A71 PolarHBondContact O-N 3.46Å; H69-I73 HydrophobicContact CB-CG1 4.08Å; H69-T87 WeakPolarHBondContact NE2-CB 3.27Å; H69-T87 PolarHBondContact NE2-OG1 2.92Å; H69-G89 PolarHBondContact CE1-N 2.82Å; H69-D91 WeakPolarHBondContact CA-OD2 3.39Å; H69-D91 WeakPolarHBondContact CB-OD2 3.39Å; H69-D91 IonicContact CE1-OD1 3.61Å; H69-D91 IonicContact CG-OD1 3.44Å; H69-D91 IonicContact CG-OD2 2.89Å; H69-D91 IonicContact ND1-OD1 3.78Å; H69-D91 PolarHBondContact ND1-OD1 3.38Å; H69-D91 IonicContact ND1-OD2 2.78Å; H69-D91 PolarHBondContact ND1-OD2 3.1Å; H69-L93 PolarHBondContact CE1-O 3.33Å |
| 70 | S | 96.5 | Very high | 93.7 | Very high | 96 Ų | 96 | 36 Ų | 36 | 67% | 0.671 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -80.2 | -3.2 | 176.5 | 58.3 | 0 | 0 | 0 | 0 | 113.4 | D91 | S70-D91 PolarHBondContact N-OD2 3.5Å; S70-D91 VanDerWaalsContact OG-CB 3.25Å; S70-D91 WeakPolarHBondContact OG-CB 3.4Å |
| 71 | A | 95.7 | Very high | 94.4 | Very high | 25 Ų | 25 | 38.5 Ų | 38.5 | 21% | 0.207 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -142.9 | -176.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | G39 H69 D91 | G39-A71 WeakPolarHBondContact CA-O 3.4Å; G39-A71 PolarHBondContact N-O 3.41Å; H69-A71 WeakPolarHBondContact CB-O 3.37Å; H69-A71 PolarHBondContact O-N 3.46Å; A71-D91 HydrophobicContact CB-CB 4.31Å |
| 72 | C | 95 | Very high | 94.5 | Very high | 23 Ų | 23 | 41.7 Ų | 41.7 | 16% | 0.155 | 22% | 0.223 | C | C | . | . | trans | -56.7 | 149.1 | -179.8 | 50.2 | 0 | 0 | 0 | 0 | 113.3 | Y17 L33 G89 S90 | Y17-C72 HydrophobicContact CD2-CB 4.08Å; Y17-C72 HydrophobicContact CE2-CB 3.57Å; L33-C72 HydrophobicContact CB-CB 4.22Å; L33-C72 HydrophobicContact CD1-CB 3.87Å; C72-G89 CarbonylContact O-C 3.55Å; C72-G89 VanDerWaalsContact O-CA 3.22Å; C72-G89 WeakPolarHBondContact O-CA 3.28Å; C72-S90 PolarHBondContact O-N 2.86Å; C72-S90 VanDerWaalsContact SG-CB 3.57Å; C72-S90 PolarHBondContact SG-OG 3.19Å | ||
| 73 | I | 97.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 105.5 | 174.8 | -54.4 | 174.3 | 0 | 0 | 0 | 109.5 | S31 G32 I41 A68 H69 C75 T87 A88 | S31-I73 VanDerWaalsContact CB-CG2 3.44Å; S31-I73 WeakPolarHBondContact OG-CG2 3.41Å; S31-I73 PolarHBondContact OG-O 2.92Å; G32-I73 PolarHBondContact O-N 3.16Å; I41-I73 HydrophobicContact CD1-CD1 3.91Å; I41-I73 HydrophobicContact CG1-CD1 3.35Å; A68-I73 HydrophobicContact CB-CD1 4.22Å; H69-I73 HydrophobicContact CB-CG1 4.08Å; I73-C75 WeakPolarHBondContact CG2-O 3.27Å; I73-T87 HydrophobicContact CG2-CG2 4.05Å; I73-A88 CarbonylContact C-O 3.59Å; I73-A88 WeakPolarHBondContact CG2-O 3.33Å |
| 74 | N | 97.3 | Very high | 94.9 | Very high | 18 Ų | 18 | 43.1 Ų | 43.1 | 10% | 0.096 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | -31.4 | -176 | -63.6 | -47.4 | 0 | 0 | 0 | 113 | A88 S90 V129 R222 | N74-A88 PolarHBondContact N-O 3.32Å; N74-S90 PolarHBondContact ND2-N 2.83Å; N74-S90 PolarHBondContact ND2-OG 3.05Å; N74-V129 WeakPolarHBondContact CB-O 3.38Å; N74-V129 PolarHBondContact ND2-O 2.94Å; N74-R222 PolarHBondContact O-NH2 2.86Å |
| 75 | C | 97.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.007 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 141.8 | -178.1 | -160 | 0 | 0 | 0 | 0 | 112.6 | I73 T87 A88 L132 | I73-C75 WeakPolarHBondContact CG2-O 3.27Å; C75-T87 CarbonylContact O-C 3.56Å; C75-T87 WeakPolarHBondContact O-CA 3.4Å; C75-A88 HydrophobicContact CB-CB 4.28Å; C75-A88 PolarHBondContact N-O 2.91Å; C75-A88 PolarHBondContact O-N 3.24Å; C75-L132 HydrophobicContact CB-CG 4.24Å |
| 76 | V | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 139.3 | 167 | 65.2 | 0 | 0 | 0 | 0 | 109.8 | S18 V29 F85 A86 T87 | S18-V76 PolarHBondContact OG-N 2.74Å; V29-V76 HydrophobicContact CB-CG2 4.33Å; V29-V76 HydrophobicContact CG1-CB 4.29Å; V29-V76 HydrophobicContact CG1-CG1 3.86Å; V29-V76 HydrophobicContact CG1-CG2 3.41Å; V29-V76 VanDerWaalsContact CG1-CG2 3.41Å; V29-V76 HydrophobicContact CG2-CG2 3.9Å; V76-F85 HydrophobicContact CG2-CD2 3.84Å; V76-F85 HydrophobicContact CG2-CE2 4.41Å; V76-A86 VanDerWaalsContact CA-O 3.32Å; V76-A86 WeakPolarHBondContact CA-O 3.26Å; V76-A86 WeakPolarHBondContact CG2-O 3.39Å; V76-T87 HydrophobicContact CB-CG2 4.18Å; V76-T87 HydrophobicContact CG2-CG2 3.82Å |
| 77 | R | 97.7 | Very high | 95.8 | Very high | 40 Ų | 40 | 35.8 Ų | 35.8 | 15% | 0.151 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 133 | 172.4 | -62.8 | -70.2 | 176.9 | -118.8 | 16.4 | 111.6 | S18 I19 F85 A86 L132 W134 | S18-R77 PolarHBondContact OG-NH1 3.22Å; I19-R77 PolarHBondContact O-NH1 3.08Å; R77-F85 CarbonylContact O-C 3.47Å; R77-F85 VanDerWaalsContact O-CA 3.31Å; R77-F85 WeakPolarHBondContact O-CA 3.17Å; R77-F85 WeakPolarHBondContact O-CB 3.36Å; R77-A86 PolarHBondContact N-O 2.88Å; R77-A86 PolarHBondContact O-N 2.91Å; R77-L132 HydrophobicContact CB-CD1 3.4Å; R77-L132 HydrophobicContact CG-CD1 3.47Å; R77-L132 VanDerWaalsContact CG-CD1 3.47Å; R77-L132 HydrophobicContact CG-CG 4.41Å; R77-L132 VanDerWaalsContact CG-O 3.28Å; R77-L132 WeakPolarHBondContact CG-O 3.25Å; R77-W134 PolarHBondContact O-NE1 2.76Å |
| 78 | W | 97.3 | Very high | 96 | Very high | 15 Ų | 15 | 30.6 Ų | 30.6 | 6% | 0.057 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 141.7 | 165.1 | -73.6 | 102.1 | 0 | 0 | 0 | 110.8 | S20 D22 K27 V29 V84 F85 W116 | S20-W78 VanDerWaalsContact C-CD1 3.43Å; S20-W78 PolarHBondContact O-NE1 3.07Å; S20-W78 PolarHBondContact OG-N 3.01Å; S20-W78 VanDerWaalsContact OG-N 3.07Å; D22-W78 HydrophobicContact CB-CD2 3.98Å; D22-W78 HydrophobicContact CB-CE3 4.42Å; D22-W78 HydrophobicContact CB-CG 4.34Å; D22-W78 HydrophobicContact CB-CZ2 4.17Å; D22-W78 VanDerWaalsContact N-CD1 3.29Å; K27-W78 HydrophobicContact CD-CH2 4.37Å; K27-W78 HydrophobicContact CD-CZ2 4.43Å; K27-W78 HydrophobicContact CG-CZ2 4.31Å; V29-W78 HydrophobicContact CB-CZ2 4.06Å; V29-W78 HydrophobicContact CG1-CZ2 4.33Å; V29-W78 VanDerWaalsContact CG1-NE1 3.28Å; W78-V84 VanDerWaalsContact CE3-O 3.26Å; W78-F85 HydrophobicContact CD2-CB 4Å; W78-F85 HydrophobicContact CE3-CB 3.84Å; W78-F85 HydrophobicContact CE3-CD1 4.2Å; W78-F85 HydrophobicContact CG-CB 4.4Å; W78-F85 AromaticContact CH2-CD1 3.74Å; W78-F85 HydrophobicContact CH2-CD1 3.74Å; W78-F85 HydrophobicContact CH2-CE1 4.35Å; W78-F85 HydrophobicContact CZ2-CD1 4.21Å; W78-F85 HydrophobicContact CZ3-CB 4.25Å; W78-F85 AromaticContact CZ3-CD1 3.74Å; W78-F85 HydrophobicContact CZ3-CD1 3.74Å; W78-F85 HydrophobicContact CZ3-CG 4.48Å; W78-W116 AromaticContact CH2-CH2 3.3Å; W78-W116 HydrophobicContact CH2-CH2 3.3Å; W78-W116 AromaticContact CH2-CZ2 3.75Å; W78-W116 HydrophobicContact CH2-CZ2 3.75Å; W78-W116 HydrophobicContact CH2-CZ3 4.06Å; W78-W116 AromaticContact CZ3-CH2 3.41Å; W78-W116 HydrophobicContact CZ3-CH2 3.41Å; W78-W116 VanDerWaalsContact CZ3-CH2 3.41Å; W78-W116 HydrophobicContact CZ3-CZ2 4.3Å; W78-W116 AromaticContact CZ3-CZ3 3.93Å; W78-W116 HydrophobicContact CZ3-CZ3 3.93Å |
| 79 | S | 97 | Very high | 96.3 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.007 | 17% | 0.169 | C | C | . | . | trans | -76.5 | 158.6 | 165.5 | -177.1 | 0 | 0 | 0 | 0 | 109.5 | P23 R81 V84 D138 | P23-S79 WeakPolarHBondContact CG-O 3.37Å; S79-R81 PolarHBondContact OG-N 3.37Å; S79-V84 VanDerWaalsContact CB-O 3.25Å; S79-V84 WeakPolarHBondContact CB-O 3.47Å; S79-V84 PolarHBondContact N-O 3.47Å; S79-D138 PolarHBondContact OG-OD1 3.15Å; S79-D138 PolarHBondContact OG-OD2 2.73Å | ||
| 80 | S | 93.5 | Very high | 96.3 | Very high | 72 Ų | 72 | 30.7 Ų | 30.7 | 50% | 0.503 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -71.8 | -20.4 | 168.5 | 73.7 | 0 | 0 | 0 | 0 | 112.2 | D138 | S80-D138 VanDerWaalsContact CA-OD2 3.3Å; S80-D138 WeakPolarHBondContact CA-OD2 3.16Å; S80-D138 WeakPolarHBondContact CB-OD2 3.2Å; S80-D138 PolarHBondContact N-OD1 3.28Å; S80-D138 VanDerWaalsContact N-OD1 3.08Å; S80-D138 PolarHBondContact N-OD2 2.85Å; S80-D138 VanDerWaalsContact OG-CG 3.27Å; S80-D138 PolarHBondContact OG-OD2 2.91Å |
| 81 | R | 92 | Very high | 96.4 | Very high | 99 Ų | 99 | 27.3 Ų | 27.3 | 37% | 0.374 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -65.1 | 133.1 | 167.6 | -71.1 | 171.6 | -167 | -165.7 | 5.5 | 109.6 | S79 K83 V84 D138 N156 | S79-R81 PolarHBondContact OG-N 3.37Å; R81-K83 PolarHBondContact O-N 3.09Å; R81-V84 HydrophobicContact CB-CB 4.47Å; R81-V84 HydrophobicContact CB-CG2 4.41Å; R81-D138 HydrophobicContact CG-CB 4.33Å; R81-D138 WeakPolarHBondContact CG-OD2 3.48Å; R81-D138 PolarHBondContact N-OD2 3.3Å; R81-D138 PolarHBondContact NH2-O 3.05Å; R81-N156 PolarHBondContact NH2-OD1 3.39Å |
| 82 | P | 88.5 | Confident | 96.5 | Very high | 107 Ų | 107 | 27.4 Ų | 27.4 | 70% | 0.695 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 139.4 | -179.5 | 26 | -34.1 | 0 | 0 | 0 | 109.9 | V84 | P82-V84 VanDerWaalsContact C-N 3.29Å; P82-V84 PolarHBondContact O-N 2.99Å |
| 83 | K | 93 | Very high | 96.7 | Very high | 103 Ų | 103 | 28 Ų | 28 | 45% | 0.448 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 32.3 | 171.2 | -52.2 | 177.7 | 174.9 | -173.3 | 0 | 114.9 | R81 T98 F99 W116 | R81-K83 PolarHBondContact O-N 3.09Å; K83-T98 WeakPolarHBondContact O-CA 3.47Å; K83-F99 HydrophobicContact CB-CB 3.6Å; K83-F99 HydrophobicContact CB-CG 4.49Å; K83-F99 HydrophobicContact CD-CB 3.92Å; K83-F99 HydrophobicContact CD-CD1 3.66Å; K83-F99 HydrophobicContact CD-CE1 4.43Å; K83-F99 HydrophobicContact CD-CG 4Å; K83-F99 HydrophobicContact CG-CB 4.15Å; K83-F99 PolarHBondContact O-N 3.47Å; K83-F99 VanDerWaalsContact O-N 3.09Å; K83-W116 HydrophobicContact CB-CH2 4.17Å; K83-W116 WeakPolarHBondContact O-CZ3 3.18Å |
| 84 | V | 97 | Very high | 96.7 | Very high | 21 Ų | 21 | 28.1 Ų | 28.1 | 13% | 0.127 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 134.5 | 173.5 | 179.7 | 0 | 0 | 0 | 0 | 109.9 | W78 S79 R81 P82 V96 W97 T98 W134 | W78-V84 VanDerWaalsContact CE3-O 3.26Å; S79-V84 VanDerWaalsContact CB-O 3.25Å; S79-V84 WeakPolarHBondContact CB-O 3.47Å; S79-V84 PolarHBondContact N-O 3.47Å; R81-V84 HydrophobicContact CB-CB 4.47Å; R81-V84 HydrophobicContact CB-CG2 4.41Å; P82-V84 VanDerWaalsContact C-N 3.29Å; P82-V84 PolarHBondContact O-N 2.99Å; V84-V96 HydrophobicContact CG1-CG1 3.79Å; V84-W97 WeakPolarHBondContact CA-O 3.32Å; V84-T98 HydrophobicContact CG2-CG2 4.21Å; V84-W134 HydrophobicContact CG1-CH2 4.36Å; V84-W134 HydrophobicContact CG1-CZ2 4.25Å |
| 85 | F | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 164.7 | 169.6 | 66 | -97.1 | 0 | 0 | 0 | 110.7 | V29 I41 I43 M66 V76 R77 W78 T87 W97 W116 | V29-F85 HydrophobicContact CG2-CE2 4.42Å; V29-F85 HydrophobicContact CG2-CZ 4.46Å; I41-F85 HydrophobicContact CD1-CE2 4.21Å; I41-F85 HydrophobicContact CG2-CE2 3.99Å; I41-F85 HydrophobicContact CG2-CZ 3.93Å; I43-F85 HydrophobicContact CD1-CE1 3.75Å; I43-F85 HydrophobicContact CD1-CZ 4.25Å; M66-F85 HydrophobicContact CE-CZ 4.25Å; M66-F85 HydrophobicContact SD-CZ 4.33Å; V76-F85 HydrophobicContact CG2-CD2 3.84Å; V76-F85 HydrophobicContact CG2-CE2 4.41Å; R77-F85 CarbonylContact O-C 3.47Å; R77-F85 VanDerWaalsContact O-CA 3.31Å; R77-F85 WeakPolarHBondContact O-CA 3.17Å; R77-F85 WeakPolarHBondContact O-CB 3.36Å; W78-F85 HydrophobicContact CD2-CB 4Å; W78-F85 HydrophobicContact CE3-CB 3.84Å; W78-F85 HydrophobicContact CE3-CD1 4.2Å; W78-F85 HydrophobicContact CG-CB 4.4Å; W78-F85 AromaticContact CH2-CD1 3.74Å; W78-F85 HydrophobicContact CH2-CD1 3.74Å; W78-F85 HydrophobicContact CH2-CE1 4.35Å; W78-F85 HydrophobicContact CZ2-CD1 4.21Å; W78-F85 HydrophobicContact CZ3-CB 4.25Å; W78-F85 AromaticContact CZ3-CD1 3.74Å; W78-F85 HydrophobicContact CZ3-CD1 3.74Å; W78-F85 HydrophobicContact CZ3-CG 4.48Å; F85-T87 HydrophobicContact CD2-CG2 4.17Å; F85-T87 HydrophobicContact CE2-CG2 4.02Å; F85-W97 HydrophobicContact CD1-CB 4.17Å; F85-W97 HydrophobicContact CD2-CB 3.95Å; F85-W97 AromaticContact CD2-CD1 3.7Å; F85-W97 HydrophobicContact CD2-CG 4.07Å; F85-W97 HydrophobicContact CE1-CB 3.77Å; F85-W97 HydrophobicContact CE1-CG 4.47Å; F85-W97 HydrophobicContact CE2-CB 3.52Å; F85-W97 AromaticContact CE2-CD1 3.26Å; F85-W97 HydrophobicContact CE2-CD2 4.32Å; F85-W97 AromaticContact CE2-CG 3.4Å; F85-W97 HydrophobicContact CE2-CG 3.4Å; F85-W97 VanDerWaalsContact CE2-CG 3.4Å; F85-W97 HydrophobicContact CG-CB 4.25Å; F85-W97 HydrophobicContact CZ-CB 3.42Å; F85-W97 VanDerWaalsContact CZ-CB 3.42Å; F85-W97 AromaticContact CZ-CD1 3.99Å; F85-W97 HydrophobicContact CZ-CD2 4.41Å; F85-W97 AromaticContact CZ-CG 3.64Å; F85-W97 HydrophobicContact CZ-CG 3.64Å; F85-W97 PolarHBondContact N-O 2.95Å; F85-W97 VanDerWaalsContact N-O 3.09Å; F85-W97 PolarHBondContact O-N 2.85Å; F85-W116 AromaticContact CD1-CE3 3.79Å; F85-W116 HydrophobicContact CD1-CE3 3.79Å; F85-W116 HydrophobicContact CD1-CH2 4.09Å; F85-W116 AromaticContact CD1-CZ3 3.49Å; F85-W116 HydrophobicContact CD1-CZ3 3.49Å; F85-W116 VanDerWaalsContact CD1-CZ3 3.49Å; F85-W116 AromaticContact CE1-CD2 3.74Å; F85-W116 HydrophobicContact CE1-CD2 3.74Å; F85-W116 AromaticContact CE1-CE3 3.27Å; F85-W116 HydrophobicContact CE1-CE3 3.27Å; F85-W116 HydrophobicContact CE1-CG 4.47Å; F85-W116 HydrophobicContact CE1-CH2 4.11Å; F85-W116 HydrophobicContact CE1-CZ2 4.48Å; F85-W116 AromaticContact CE1-CZ3 3.47Å; F85-W116 HydrophobicContact CE1-CZ3 3.47Å; F85-W116 VanDerWaalsContact CE1-CZ3 3.47Å; F85-W116 HydrophobicContact CZ-CE3 4.21Å |
| 86 | A | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 151.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V76 R77 M95 V96 L132 W134 L141 | V76-A86 VanDerWaalsContact CA-O 3.32Å; V76-A86 WeakPolarHBondContact CA-O 3.26Å; V76-A86 WeakPolarHBondContact CG2-O 3.39Å; R77-A86 PolarHBondContact N-O 2.88Å; R77-A86 PolarHBondContact O-N 2.91Å; A86-M95 CarbonylContact C-O 3.49Å; A86-M95 WeakPolarHBondContact CA-O 3.24Å; A86-V96 HydrophobicContact CB-CG2 4.31Å; A86-L132 HydrophobicContact CB-CD1 4.01Å; A86-L132 HydrophobicContact CB-CD2 4.03Å; A86-W134 HydrophobicContact CB-CZ2 3.67Å; A86-L141 HydrophobicContact CB-CD1 4.19Å; A86-L141 HydrophobicContact CB-CD2 3.82Å |
| 87 | T | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 146.8 | 177.6 | 54.6 | 0 | 0 | 0 | 0 | 111.7 | I41 H69 I73 C75 V76 F85 V94 M95 W97 | I41-T87 HydrophobicContact CD1-CG2 3.69Å; I41-T87 HydrophobicContact CG1-CG2 4.08Å; H69-T87 WeakPolarHBondContact NE2-CB 3.27Å; H69-T87 PolarHBondContact NE2-OG1 2.92Å; I73-T87 HydrophobicContact CG2-CG2 4.05Å; C75-T87 CarbonylContact O-C 3.56Å; C75-T87 WeakPolarHBondContact O-CA 3.4Å; V76-T87 HydrophobicContact CB-CG2 4.18Å; V76-T87 HydrophobicContact CG2-CG2 3.82Å; F85-T87 HydrophobicContact CD2-CG2 4.17Å; F85-T87 HydrophobicContact CE2-CG2 4.02Å; T87-V94 CarbonylContact O-C 3.57Å; T87-V94 VanDerWaalsContact O-CA 3.27Å; T87-V94 WeakPolarHBondContact O-CA 3.48Å; T87-M95 PolarHBondContact N-O 2.94Å; T87-M95 PolarHBondContact O-N 2.82Å; T87-W97 PolarHBondContact OG1-NE1 2.85Å |
| 88 | A | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 129.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109 | I73 N74 C75 V129 L132 | I73-A88 CarbonylContact C-O 3.59Å; I73-A88 WeakPolarHBondContact CG2-O 3.33Å; N74-A88 PolarHBondContact N-O 3.32Å; C75-A88 HydrophobicContact CB-CB 4.28Å; C75-A88 PolarHBondContact N-O 2.91Å; C75-A88 PolarHBondContact O-N 3.24Å; A88-V129 HydrophobicContact CB-CB 3.74Å; A88-V129 HydrophobicContact CB-CG1 3.45Å; A88-V129 VanDerWaalsContact CB-CG1 3.45Å; A88-L132 HydrophobicContact CB-CB 4.4Å; A88-L132 HydrophobicContact CB-CD2 3.62Å; A88-L132 HydrophobicContact CB-CG 4.32Å; A88-L132 VanDerWaalsContact N-CD2 3.31Å |
| 89 | G | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 166.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | H69 C72 D91 S92 L93 V129 | H69-G89 PolarHBondContact CE1-N 2.82Å; C72-G89 CarbonylContact O-C 3.55Å; C72-G89 VanDerWaalsContact O-CA 3.22Å; C72-G89 WeakPolarHBondContact O-CA 3.28Å; G89-D91 PolarHBondContact O-N 3.14Å; G89-S92 PolarHBondContact O-N 2.97Å; G89-L93 PolarHBondContact N-O 2.89Å; G89-L93 VanDerWaalsContact N-O 3.1Å; G89-V129 PolarHBondContact O-N 2.95Å |
| 90 | S | 97.3 | Very high | 96.6 | Very high | 23 Ų | 23 | 33 Ų | 33 | 16% | 0.161 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | 0.5 | 169.9 | -75.1 | 0 | 0 | 0 | 0 | 113.6 | C72 N74 S92 D128 | C72-S90 PolarHBondContact O-N 2.86Å; C72-S90 VanDerWaalsContact SG-CB 3.57Å; C72-S90 PolarHBondContact SG-OG 3.19Å; N74-S90 PolarHBondContact ND2-N 2.83Å; N74-S90 PolarHBondContact ND2-OG 3.05Å; S90-S92 PolarHBondContact O-N 3.33Å; S90-D128 WeakPolarHBondContact CB-OD2 3.48Å; S90-D128 PolarHBondContact OG-OD2 3.25Å |
| 91 | D | 97.8 | Very high | 96.5 | Very high | 25 Ų | 25 | 30.6 Ų | 30.6 | 13% | 0.134 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 13.2 | 168.8 | 62.9 | -4.2 | 0 | 0 | 0 | 112.7 | H69 S70 A71 G89 L93 | H69-D91 WeakPolarHBondContact CA-OD2 3.39Å; H69-D91 WeakPolarHBondContact CB-OD2 3.39Å; H69-D91 IonicContact CE1-OD1 3.61Å; H69-D91 IonicContact CG-OD1 3.44Å; H69-D91 IonicContact CG-OD2 2.89Å; H69-D91 IonicContact ND1-OD1 3.78Å; H69-D91 PolarHBondContact ND1-OD1 3.38Å; H69-D91 IonicContact ND1-OD2 2.78Å; H69-D91 PolarHBondContact ND1-OD2 3.1Å; S70-D91 PolarHBondContact N-OD2 3.5Å; S70-D91 VanDerWaalsContact OG-CB 3.25Å; S70-D91 WeakPolarHBondContact OG-CB 3.4Å; A71-D91 HydrophobicContact CB-CB 4.31Å; G89-D91 PolarHBondContact O-N 3.14Å; D91-L93 PolarHBondContact O-N 2.76Å; D91-L93 WeakPolarHBondContact OD1-CB 3.31Å; D91-L93 PolarHBondContact OD1-N 3.44Å; D91-L93 VanDerWaalsContact OD1-N 3.14Å |
| 92 | S | 98.3 | Very high | 96.2 | Very high | 27 Ų | 27 | 30 Ų | 30 | 19% | 0.189 | 18% | 0.176 | C | C | . | . | S | Bend | trans | 65.7 | 12 | -177.3 | -47.5 | 0 | 0 | 0 | 0 | 114.8 | G89 S90 A127 | G89-S92 PolarHBondContact O-N 2.97Å; S90-S92 PolarHBondContact O-N 3.33Å; S92-A127 WeakPolarHBondContact OG-CA 3.25Å; S92-A127 PolarHBondContact OG-N 3.33Å; S92-A127 PolarHBondContact OG-O 2.83Å |
| 93 | L | 98.6 | Very high | 95.5 | Very high | 37 Ų | 37 | 27.9 Ų | 27.9 | 19% | 0.194 | 16% | 0.163 | C | C | . | . | trans | -100.3 | 149.2 | -177.5 | -58 | -179.3 | 0 | 0 | 0 | 112.5 | H69 G89 D91 M95 T121 A123 | H69-L93 PolarHBondContact CE1-O 3.33Å; G89-L93 PolarHBondContact N-O 2.89Å; G89-L93 VanDerWaalsContact N-O 3.1Å; D91-L93 PolarHBondContact O-N 2.76Å; D91-L93 WeakPolarHBondContact OD1-CB 3.31Å; D91-L93 PolarHBondContact OD1-N 3.44Å; D91-L93 VanDerWaalsContact OD1-N 3.14Å; L93-M95 HydrophobicContact CB-CE 4.23Å; L93-M95 HydrophobicContact CD1-CE 3.47Å; L93-M95 VanDerWaalsContact CD1-CE 3.47Å; L93-M95 HydrophobicContact CG-CE 4.49Å; L93-T121 HydrophobicContact CD1-CG2 4.04Å; L93-T121 HydrophobicContact CD2-CG2 4.25Å; L93-A123 HydrophobicContact CD2-CB 3.65Å | ||
| 94 | V | 98.7 | Very high | 94 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 129.6 | 159 | -175.4 | 0 | 0 | 0 | 0 | 107.9 | T87 M122 V129 L132 L141 | T87-V94 CarbonylContact O-C 3.57Å; T87-V94 VanDerWaalsContact O-CA 3.27Å; T87-V94 WeakPolarHBondContact O-CA 3.48Å; V94-M122 HydrophobicContact CB-CB 4.16Å; V94-M122 HydrophobicContact CB-CE 3.85Å; V94-M122 HydrophobicContact CG1-CE 3.5Å; V94-M122 VanDerWaalsContact CG1-CE 3.5Å; V94-M122 PolarHBondContact N-O 3.4Å; V94-M122 WeakPolarHBondContact O-CB 3.33Å; V94-M122 PolarHBondContact O-N 3.36Å; V94-V129 HydrophobicContact CG2-CG1 3.99Å; V94-V129 HydrophobicContact CG2-CG2 4.29Å; V94-L132 HydrophobicContact CG1-CD2 4.48Å; V94-L141 HydrophobicContact CG1-CD2 3.82Å |
| 95 | M | 98.6 | Very high | 92.3 | Very high | 21 Ų | 21 | 31.3 Ų | 31.3 | 10% | 0.103 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 145.4 | 178.5 | -62.5 | -176.3 | -175.4 | 0 | 0 | 110.9 | A86 T87 L93 W97 A120 T121 | A86-M95 CarbonylContact C-O 3.49Å; A86-M95 WeakPolarHBondContact CA-O 3.24Å; T87-M95 PolarHBondContact N-O 2.94Å; T87-M95 PolarHBondContact O-N 2.82Å; L93-M95 HydrophobicContact CB-CE 4.23Å; L93-M95 HydrophobicContact CD1-CE 3.47Å; L93-M95 VanDerWaalsContact CD1-CE 3.47Å; L93-M95 HydrophobicContact CG-CE 4.49Å; M95-W97 HydrophobicContact CB-CZ2 4.16Å; M95-W97 HydrophobicContact SD-CH2 4.48Å; M95-W97 HydrophobicContact SD-CZ2 3.73Å; M95-A120 CarbonylContact C-O 3.54Å; M95-A120 VanDerWaalsContact CA-O 3.31Å; M95-A120 WeakPolarHBondContact CA-O 3.44Å; M95-T121 HydrophobicContact CE-CG2 4.22Å; M95-T121 HydrophobicContact CG-CG2 4.31Å |
| 96 | V | 98.5 | Very high | 90.1 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.024 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 134.5 | 174.5 | -180 | 0 | 0 | 0 | 0 | 108.9 | V84 A86 C118 T119 A120 M122 W134 L141 F158 | V84-V96 HydrophobicContact CG1-CG1 3.79Å; A86-V96 HydrophobicContact CB-CG2 4.31Å; V96-C118 CarbonylContact O-C 3.55Å; V96-C118 WeakPolarHBondContact O-CA 3.26Å; V96-T119 PolarHBondContact O-N 3.38Å; V96-T119 PolarHBondContact O-OG1 3.1Å; V96-A120 HydrophobicContact CB-CB 4.13Å; V96-A120 HydrophobicContact CG2-CB 4.31Å; V96-A120 PolarHBondContact N-O 3.09Å; V96-M122 HydrophobicContact CG2-CE 3.66Å; V96-W134 HydrophobicContact CG1-CH2 4.41Å; V96-W134 HydrophobicContact CG2-CH2 4.39Å; V96-L141 HydrophobicContact CG2-CD2 4.32Å; V96-F158 HydrophobicContact CG1-CE2 4.41Å; V96-F158 HydrophobicContact CG2-CD2 4.16Å; V96-F158 HydrophobicContact CG2-CE1 4.45Å; V96-F158 HydrophobicContact CG2-CE2 3.74Å; V96-F158 HydrophobicContact CG2-CZ 3.88Å |
| 97 | W | 98.2 | Very high | 88 | Confident | 20 Ų | 20 | 39.2 Ų | 39.2 | 8% | 0.076 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 135.6 | -174.8 | -57.1 | 85.8 | 0 | 0 | 0 | 109.7 | I41 M66 A68 V84 F85 T87 M95 W116 K117 C118 | I41-W97 HydrophobicContact CD1-CD2 4.34Å; I41-W97 HydrophobicContact CD1-CZ2 3.92Å; M66-W97 HydrophobicContact SD-CD2 4.09Å; M66-W97 HydrophobicContact SD-CE3 3.66Å; M66-W97 HydrophobicContact SD-CH2 4.34Å; M66-W97 HydrophobicContact SD-CZ3 3.78Å; A68-W97 HydrophobicContact CB-CH2 3.59Å; A68-W97 HydrophobicContact CB-CZ2 3.4Å; A68-W97 VanDerWaalsContact CB-CZ2 3.4Å; V84-W97 WeakPolarHBondContact CA-O 3.32Å; F85-W97 HydrophobicContact CD1-CB 4.17Å; F85-W97 HydrophobicContact CD2-CB 3.95Å; F85-W97 AromaticContact CD2-CD1 3.7Å; F85-W97 HydrophobicContact CD2-CG 4.07Å; F85-W97 HydrophobicContact CE1-CB 3.77Å; F85-W97 HydrophobicContact CE1-CG 4.47Å; F85-W97 HydrophobicContact CE2-CB 3.52Å; F85-W97 AromaticContact CE2-CD1 3.26Å; F85-W97 HydrophobicContact CE2-CD2 4.32Å; F85-W97 AromaticContact CE2-CG 3.4Å; F85-W97 HydrophobicContact CE2-CG 3.4Å; F85-W97 VanDerWaalsContact CE2-CG 3.4Å; F85-W97 HydrophobicContact CG-CB 4.25Å; F85-W97 HydrophobicContact CZ-CB 3.42Å; F85-W97 VanDerWaalsContact CZ-CB 3.42Å; F85-W97 AromaticContact CZ-CD1 3.99Å; F85-W97 HydrophobicContact CZ-CD2 4.41Å; F85-W97 AromaticContact CZ-CG 3.64Å; F85-W97 HydrophobicContact CZ-CG 3.64Å; F85-W97 PolarHBondContact N-O 2.95Å; F85-W97 VanDerWaalsContact N-O 3.09Å; F85-W97 PolarHBondContact O-N 2.85Å; T87-W97 PolarHBondContact OG1-NE1 2.85Å; M95-W97 HydrophobicContact CB-CZ2 4.16Å; M95-W97 HydrophobicContact SD-CH2 4.48Å; M95-W97 HydrophobicContact SD-CZ2 3.73Å; W97-W116 HydrophobicContact CB-CE3 4.31Å; W97-K117 WeakPolarHBondContact CA-O 3.43Å; W97-C118 HydrophobicContact CD2-CB 4.34Å; W97-C118 HydrophobicContact CE3-CB 3.91Å; W97-C118 HydrophobicContact CH2-CB 3.84Å; W97-C118 HydrophobicContact CZ2-CB 4.24Å; W97-C118 HydrophobicContact CZ3-CB 3.66Å |
| 98 | T | 97.1 | Very high | 85.9 | Confident | 44 Ų | 44 | 47.2 Ų | 47.2 | 27% | 0.27 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 136 | 178 | -52.9 | 0 | 0 | 0 | 0 | 109.5 | K83 V84 A100 W116 K117 T119 | K83-T98 WeakPolarHBondContact O-CA 3.47Å; V84-T98 HydrophobicContact CG2-CG2 4.21Å; T98-A100 PolarHBondContact O-N 3.44Å; T98-W116 VanDerWaalsContact C-CE3 3.43Å; T98-W116 WeakPolarHBondContact O-CA 3.01Å; T98-K117 PolarHBondContact N-O 3.02Å; T98-K117 PolarHBondContact O-N 2.78Å; T98-T119 WeakPolarHBondContact OG1-CG2 3.44Å; T98-T119 PolarHBondContact OG1-OG1 2.76Å; T98-T119 VanDerWaalsContact OG1-OG1 3.06Å |
| 99 | F | 96.2 | Very high | 83.6 | Confident | 36 Ų | 36 | 53.4 Ų | 53.4 | 16% | 0.158 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 126.6 | 175 | 179.4 | -101.8 | 0 | 0 | 0 | 110.1 | K83 G101 E114 W116 | K83-F99 HydrophobicContact CB-CB 3.6Å; K83-F99 HydrophobicContact CB-CG 4.49Å; K83-F99 HydrophobicContact CD-CB 3.92Å; K83-F99 HydrophobicContact CD-CD1 3.66Å; K83-F99 HydrophobicContact CD-CE1 4.43Å; K83-F99 HydrophobicContact CD-CG 4Å; K83-F99 HydrophobicContact CG-CB 4.15Å; K83-F99 PolarHBondContact O-N 3.47Å; K83-F99 VanDerWaalsContact O-N 3.09Å; F99-G101 VanDerWaalsContact CE1-CA 3.46Å; F99-G101 VanDerWaalsContact CE2-O 3.25Å; F99-G101 WeakPolarHBondContact CE2-O 3.24Å; F99-G101 WeakPolarHBondContact CZ-O 3.22Å; F99-E114 HydrophobicContact CD2-CB 4.25Å; F99-E114 HydrophobicContact CD2-CG 4.45Å; F99-E114 HydrophobicContact CE2-CB 3.76Å; F99-E114 HydrophobicContact CE2-CG 3.72Å; F99-W116 HydrophobicContact CB-CD2 4.17Å; F99-W116 HydrophobicContact CB-CE3 4.11Å; F99-W116 HydrophobicContact CB-CH2 3.79Å; F99-W116 HydrophobicContact CB-CZ2 3.88Å; F99-W116 HydrophobicContact CB-CZ3 3.94Å; F99-W116 HydrophobicContact CD2-CD2 4.41Å; F99-W116 AromaticContact CD2-CE2 3.75Å; F99-W116 AromaticContact CD2-CZ2 3.87Å; F99-W116 HydrophobicContact CD2-CZ2 3.87Å; F99-W116 AromaticContact CD2-NE1 3.74Å; F99-W116 HydrophobicContact CG-CZ2 4.33Å; F99-W116 VanDerWaalsContact N-CZ3 3.34Å |
| 100 | A | 94.3 | Very high | 81.8 | Confident | 54 Ų | 54 | 62 Ų | 62 | 45% | 0.446 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 1.3 | -176 | 0 | 0 | 0 | 0 | 0 | 113 | T98 Y115 K117 | T98-A100 PolarHBondContact O-N 3.44Å; A100-Y115 HydrophobicContact CB-CD1 3.37Å; A100-Y115 HydrophobicContact CB-CE1 3.62Å; A100-Y115 HydrophobicContact CB-CG 4.37Å; A100-Y115 PolarHBondContact N-O 2.89Å; A100-K117 HydrophobicContact CB-CB 4.04Å |
| 101 | G | 91.7 | Very high | 80.3 | Confident | 20 Ų | 20 | 64.1 Ų | 64.1 | 21% | 0.206 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 127.8 | -174.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F99 Y115 | F99-G101 VanDerWaalsContact CE1-CA 3.46Å; F99-G101 VanDerWaalsContact CE2-O 3.25Å; F99-G101 WeakPolarHBondContact CE2-O 3.24Å; F99-G101 WeakPolarHBondContact CZ-O 3.22Å; G101-Y115 PolarHBondContact O-N 3.34Å |
| 102 | N | 84.9 | Confident | 79.2 | Confident | 87 Ų | 87 | 64.5 Ų | 64.5 | 47% | 0.465 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 141 | 164.9 | -66.5 | 79.3 | 0 | 0 | 0 | 107.8 | P112 | N102-P112 HydrophobicContact CB-CG 4.15Å; N102-P112 PolarHBondContact ND2-O 3.34Å |
| 103 | C | 73 | Confident | 78.5 | Confident | 63 Ų | 63 | 66.2 Ų | 66.2 | 43% | 0.426 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 138 | 171.8 | -157.9 | 0 | 0 | 0 | 0 | 108.5 | S105 P112 P113 | C103-S105 PolarHBondContact O-N 2.49Å; C103-S105 VanDerWaalsContact O-N 3.16Å; C103-P112 WeakPolarHBondContact O-CB 3.41Å; C103-P113 HydrophobicContact CB-CG 4.49Å; C103-P113 PolarHBondContact N-O 3.07Å; C103-P113 VanDerWaalsContact N-O 3.15Å |
| 104 | P | 62.9 | Low | 78.2 | Confident | 112 Ų | 112 | 65.9 Ų | 65.9 | 73% | 0.727 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 127.5 | 168.6 | 21.4 | -29.7 | 0 | 0 | 0 | 107.8 | S106 | P104-S106 PolarHBondContact O-N 2.78Š|
| 105 | S | 60.5 | Low | 77.9 | Confident | 83 Ų | 83 | 72.1 Ų | 72.1 | 58% | 0.58 | 42% | 0.42 | S | S | * | . | trans | -59.9 | 98.3 | 179.5 | 52.8 | 0 | 0 | 0 | 0 | 109.2 | C103 | C103-S105 PolarHBondContact O-N 2.49Å; C103-S105 VanDerWaalsContact O-N 3.16Å | ||
| 106 | S | 53 | Low | 77.8 | Confident | 78 Ų | 78 | 71.7 Ų | 71.7 | 55% | 0.545 | 42% | 0.417 | S | S | . | . | trans | -63.1 | 132.4 | 149.5 | 53.1 | 0 | 0 | 0 | 0 | 105.5 | P104 E108 | P104-S106 PolarHBondContact O-N 2.78Å; S106-E108 PolarHBondContact O-N 3.21Å | ||
| 107 | G | 52.8 | Low | 77.6 | Confident | 88 Ų | 88 | 77.1 Ų | 77.1 | 91% | 0.907 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 26.8 | -164.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 108 | E | 55.6 | Low | 77.6 | Confident | 169 Ų | 169 | 78.1 Ų | 78.1 | 79% | 0.79 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103 | -17.3 | -179.9 | -66.3 | -175.8 | 157.8 | 0 | 0 | 113.6 | S106 | S106-E108 PolarHBondContact O-N 3.21Š|
| 109 | F | 51.1 | Low | 77.6 | Confident | 130 Ų | 130 | 79.6 Ų | 79.6 | 57% | 0.57 | 46% | 0.459 | S | S | * | . | trans | -120.8 | 127.4 | 179 | -65.5 | -81.5 | 0 | 0 | 0 | 111.4 | V111 | F109-V111 PolarHBondContact O-N 2.86Š| ||
| 110 | E | 59.2 | Low | 77.7 | Confident | 180 Ų | 180 | 78.5 Ų | 78.5 | 84% | 0.841 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -59.9 | -30.4 | 177.5 | -77 | -169.1 | 153.4 | 0 | 0 | 112.7 | ||
| 111 | V | 66.6 | Low | 77.9 | Confident | 68 Ų | 68 | 79.4 Ų | 79.4 | 41% | 0.412 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -133.3 | 122.4 | 172 | -177.1 | 0 | 0 | 0 | 0 | 108.3 | P60 F109 | P60-V111 HydrophobicContact CG-CB 3.91Å; P60-V111 HydrophobicContact CG-CG1 3.87Å; P60-V111 HydrophobicContact CG-CG2 4.24Å; F109-V111 PolarHBondContact O-N 2.86Å |
| 112 | P | 72.8 | Confident | 78.2 | Confident | 33 Ų | 33 | 78.6 Ų | 78.6 | 21% | 0.214 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 138.6 | -178.5 | 23.8 | -31.4 | 0 | 0 | 0 | 111.5 | N102 C103 | N102-P112 HydrophobicContact CB-CG 4.15Å; N102-P112 PolarHBondContact ND2-O 3.34Å; C103-P112 WeakPolarHBondContact O-CB 3.41Å |
| 113 | P | 85.3 | Confident | 78.8 | Confident | 63 Ų | 63 | 78.5 Ų | 78.5 | 41% | 0.409 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 148.3 | 178.2 | 26.5 | -33.8 | 0 | 0 | 0 | 111.2 | L63 C103 | L63-P113 CarbonylContact O-C 3.56Å; L63-P113 WeakPolarHBondContact O-CA 3.46Å; C103-P113 HydrophobicContact CB-CG 4.49Å; C103-P113 PolarHBondContact N-O 3.07Å; C103-P113 VanDerWaalsContact N-O 3.15Å |
| 114 | E | 91.9 | Very high | 80 | Confident | 29 Ų | 29 | 76.2 Ų | 76.2 | 14% | 0.136 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 135.9 | 169.1 | -66.4 | -165.7 | 171 | 0 | 0 | 109.6 | K27 L63 C64 F99 W116 | K27-E114 VanDerWaalsContact NZ-CD 3.26Å; K27-E114 IonicContact NZ-OE1 2.8Å; K27-E114 PolarHBondContact NZ-OE1 3.07Å; K27-E114 IonicContact NZ-OE2 3.92Å; K27-E114 PolarHBondContact NZ-OE2 3.41Å; L63-E114 HydrophobicContact CB-CG 4.1Å; L63-E114 PolarHBondContact O-N 3.45Å; C64-E114 HydrophobicContact CB-CB 4.21Å; C64-E114 PolarHBondContact SG-O 3.48Å; F99-E114 HydrophobicContact CD2-CB 4.25Å; F99-E114 HydrophobicContact CD2-CG 4.45Å; F99-E114 HydrophobicContact CE2-CB 3.76Å; F99-E114 HydrophobicContact CE2-CG 3.72Å; E114-W116 WeakPolarHBondContact OE2-CZ2 3.08Å; E114-W116 PolarHBondContact OE2-NE1 2.98Å |
| 115 | Y | 92.1 | Very high | 81.7 | Confident | 133 Ų | 133 | 71.4 Ų | 71.4 | 52% | 0.522 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 132.5 | 173.6 | 178 | -118.4 | 0 | 0 | 0 | 110 | A100 G101 | A100-Y115 HydrophobicContact CB-CD1 3.37Å; A100-Y115 HydrophobicContact CB-CE1 3.62Å; A100-Y115 HydrophobicContact CB-CG 4.37Å; A100-Y115 PolarHBondContact N-O 2.89Å; G101-Y115 PolarHBondContact O-N 3.34Å |
| 116 | W | 95.7 | Very high | 83.5 | Confident | 11 Ų | 11 | 73.5 Ų | 73.5 | 4% | 0.042 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 133.5 | -178 | -70.1 | 76.7 | 0 | 0 | 0 | 109.1 | I43 M66 W78 K83 F85 W97 T98 F99 E114 | I43-W116 HydrophobicContact CD1-CD2 3.8Å; I43-W116 HydrophobicContact CD1-CG 3.99Å; I43-W116 HydrophobicContact CD1-CZ2 3.78Å; M66-W116 HydrophobicContact CE-CB 3.45Å; M66-W116 VanDerWaalsContact CE-CB 3.45Å; M66-W116 HydrophobicContact CE-CG 3.76Å; M66-W116 HydrophobicContact SD-CB 4.39Å; W78-W116 AromaticContact CH2-CH2 3.3Å; W78-W116 HydrophobicContact CH2-CH2 3.3Å; W78-W116 AromaticContact CH2-CZ2 3.75Å; W78-W116 HydrophobicContact CH2-CZ2 3.75Å; W78-W116 HydrophobicContact CH2-CZ3 4.06Å; W78-W116 AromaticContact CZ3-CH2 3.41Å; W78-W116 HydrophobicContact CZ3-CH2 3.41Å; W78-W116 VanDerWaalsContact CZ3-CH2 3.41Å; W78-W116 HydrophobicContact CZ3-CZ2 4.3Å; W78-W116 AromaticContact CZ3-CZ3 3.93Å; W78-W116 HydrophobicContact CZ3-CZ3 3.93Å; K83-W116 HydrophobicContact CB-CH2 4.17Å; K83-W116 WeakPolarHBondContact O-CZ3 3.18Å; F85-W116 AromaticContact CD1-CE3 3.79Å; F85-W116 HydrophobicContact CD1-CE3 3.79Å; F85-W116 HydrophobicContact CD1-CH2 4.09Å; F85-W116 AromaticContact CD1-CZ3 3.49Å; F85-W116 HydrophobicContact CD1-CZ3 3.49Å; F85-W116 VanDerWaalsContact CD1-CZ3 3.49Å; F85-W116 AromaticContact CE1-CD2 3.74Å; F85-W116 HydrophobicContact CE1-CD2 3.74Å; F85-W116 AromaticContact CE1-CE3 3.27Å; F85-W116 HydrophobicContact CE1-CE3 3.27Å; F85-W116 HydrophobicContact CE1-CG 4.47Å; F85-W116 HydrophobicContact CE1-CH2 4.11Å; F85-W116 HydrophobicContact CE1-CZ2 4.48Å; F85-W116 AromaticContact CE1-CZ3 3.47Å; F85-W116 HydrophobicContact CE1-CZ3 3.47Å; F85-W116 VanDerWaalsContact CE1-CZ3 3.47Å; F85-W116 HydrophobicContact CZ-CE3 4.21Å; W97-W116 HydrophobicContact CB-CE3 4.31Å; T98-W116 VanDerWaalsContact C-CE3 3.43Å; T98-W116 WeakPolarHBondContact O-CA 3.01Å; F99-W116 HydrophobicContact CB-CD2 4.17Å; F99-W116 HydrophobicContact CB-CE3 4.11Å; F99-W116 HydrophobicContact CB-CH2 3.79Å; F99-W116 HydrophobicContact CB-CZ2 3.88Å; F99-W116 HydrophobicContact CB-CZ3 3.94Å; F99-W116 HydrophobicContact CD2-CD2 4.41Å; F99-W116 AromaticContact CD2-CE2 3.75Å; F99-W116 AromaticContact CD2-CZ2 3.87Å; F99-W116 HydrophobicContact CD2-CZ2 3.87Å; F99-W116 AromaticContact CD2-NE1 3.74Å; F99-W116 HydrophobicContact CG-CZ2 4.33Å; F99-W116 VanDerWaalsContact N-CZ3 3.34Å; E114-W116 WeakPolarHBondContact OE2-CZ2 3.08Å; E114-W116 PolarHBondContact OE2-NE1 2.98Å |
| 117 | K | 96 | Very high | 85.7 | Confident | 118 Ų | 118 | 70.8 Ų | 70.8 | 51% | 0.513 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 133.4 | -178.3 | -177.2 | 178.8 | 178 | -178.1 | 0 | 109.6 | W97 T98 A100 T119 | W97-K117 WeakPolarHBondContact CA-O 3.43Å; T98-K117 PolarHBondContact N-O 3.02Å; T98-K117 PolarHBondContact O-N 2.78Å; A100-K117 HydrophobicContact CB-CB 4.04Å; K117-T119 PolarHBondContact O-N 2.88Å |
| 118 | C | 97.4 | Very high | 87.8 | Confident | 41 Ų | 41 | 69.5 Ų | 69.5 | 28% | 0.277 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 113.7 | 165.3 | -175.8 | 0 | 0 | 0 | 0 | 108.6 | V96 W97 A120 | V96-C118 CarbonylContact O-C 3.55Å; V96-C118 WeakPolarHBondContact O-CA 3.26Å; W97-C118 HydrophobicContact CD2-CB 4.34Å; W97-C118 HydrophobicContact CE3-CB 3.91Å; W97-C118 HydrophobicContact CH2-CB 3.84Å; W97-C118 HydrophobicContact CZ2-CB 4.24Å; W97-C118 HydrophobicContact CZ3-CB 3.66Å; C118-A120 PolarHBondContact SG-O 3.18Å |
| 119 | T | 97.4 | Very high | 89.9 | Confident | 75 Ų | 75 | 61.4 Ų | 61.4 | 46% | 0.46 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | -17.8 | -176.9 | 48 | 0 | 0 | 0 | 0 | 112.9 | V96 T98 K117 | V96-T119 PolarHBondContact O-N 3.38Å; V96-T119 PolarHBondContact O-OG1 3.1Å; T98-T119 WeakPolarHBondContact OG1-CG2 3.44Å; T98-T119 PolarHBondContact OG1-OG1 2.76Å; T98-T119 VanDerWaalsContact OG1-OG1 3.06Å; K117-T119 PolarHBondContact O-N 2.88Å |
| 120 | A | 97.9 | Very high | 92.1 | Very high | 13 Ų | 13 | 56 Ų | 56 | 11% | 0.107 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 140.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | M95 V96 C118 F158 | M95-A120 CarbonylContact C-O 3.54Å; M95-A120 VanDerWaalsContact CA-O 3.31Å; M95-A120 WeakPolarHBondContact CA-O 3.44Å; V96-A120 HydrophobicContact CB-CB 4.13Å; V96-A120 HydrophobicContact CG2-CB 4.31Å; V96-A120 PolarHBondContact N-O 3.09Å; C118-A120 PolarHBondContact SG-O 3.18Å; A120-F158 HydrophobicContact CB-CB 3.63Å; A120-F158 HydrophobicContact CB-CD2 4.26Å; A120-F158 HydrophobicContact CB-CG 4.09Å |
| 121 | T | 98.3 | Very high | 94 | Very high | 74 Ų | 74 | 47.5 Ų | 47.5 | 45% | 0.454 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 123.6 | 169.9 | -58.8 | 0 | 0 | 0 | 0 | 108.3 | L93 M95 | L93-T121 HydrophobicContact CD1-CG2 4.04Å; L93-T121 HydrophobicContact CD2-CG2 4.25Å; M95-T121 HydrophobicContact CE-CG2 4.22Å; M95-T121 HydrophobicContact CG-CG2 4.31Å |
| 122 | M | 98.5 | Very high | 95.5 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 110.7 | -174.4 | -73.4 | 165.6 | -74.5 | 0 | 0 | 109.7 | V94 V96 L141 W153 F158 P159 | V94-M122 HydrophobicContact CB-CB 4.16Å; V94-M122 HydrophobicContact CB-CE 3.85Å; V94-M122 HydrophobicContact CG1-CE 3.5Å; V94-M122 VanDerWaalsContact CG1-CE 3.5Å; V94-M122 PolarHBondContact N-O 3.4Å; V94-M122 WeakPolarHBondContact O-CB 3.33Å; V94-M122 PolarHBondContact O-N 3.36Å; V96-M122 HydrophobicContact CG2-CE 3.66Å; M122-L141 HydrophobicContact CE-CD2 4.03Å; M122-W153 HydrophobicContact CB-CD2 4.28Å; M122-W153 HydrophobicContact CB-CE3 4.1Å; M122-W153 HydrophobicContact CB-CH2 3.53Å; M122-W153 HydrophobicContact CB-CZ2 3.76Å; M122-W153 HydrophobicContact CB-CZ3 3.72Å; M122-W153 HydrophobicContact CG-CD2 4.09Å; M122-W153 HydrophobicContact CG-CE3 3.75Å; M122-W153 HydrophobicContact CG-CH2 4.1Å; M122-W153 HydrophobicContact CG-CZ2 4.45Å; M122-W153 HydrophobicContact CG-CZ3 3.75Å; M122-W153 HydrophobicContact SD-CB 3.96Å; M122-W153 HydrophobicContact SD-CD2 3.37Å; M122-W153 HydrophobicContact SD-CE3 3.54Å; M122-W153 VanDerWaalsContact SD-CE3 3.54Å; M122-W153 HydrophobicContact SD-CG 3.58Å; M122-W153 VanDerWaalsContact SD-CG 3.58Å; M122-W153 HydrophobicContact SD-CZ2 4.5Å; M122-W153 HydrophobicContact SD-CZ3 4.15Å; M122-F158 HydrophobicContact CE-CD1 4.02Å; M122-F158 HydrophobicContact CE-CE1 3.99Å; M122-F158 HydrophobicContact CG-CD1 4.47Å; M122-F158 HydrophobicContact SD-CD1 3.32Å; M122-F158 WeakPolarHBondContact SD-CD1 3.35Å; M122-F158 HydrophobicContact SD-CE1 3.59Å; M122-F158 VanDerWaalsContact SD-CE1 3.59Å; M122-F158 HydrophobicContact SD-CG 4.24Å; M122-P159 HydrophobicContact CG-CB 3.69Å |
| 123 | A | 97.8 | Very high | 96.7 | Very high | 85 Ų | 85 | 43.3 Ų | 43.3 | 70% | 0.702 | 25% | 0.252 | S | S | * | . | trans | -103.5 | 60.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L93 | L93-A123 HydrophobicContact CD2-CB 3.65Š| ||
| 124 | G | 97.7 | Very high | 97.3 | Very high | 16 Ų | 16 | 41.3 Ų | 41.3 | 17% | 0.165 | 24% | 0.236 | C | C | . | . | trans | -97.7 | -27.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | I151 K161 | G124-I151 VanDerWaalsContact O-CD1 3.27Å; G124-I151 WeakPolarHBondContact O-CD1 3.28Å; G124-K161 PolarHBondContact O-NZ 2.89Å | ||
| 125 | H | 98.6 | Very high | 97.6 | Very high | 11 Ų | 11 | 40.1 Ų | 40.1 | 5% | 0.051 | 23% | 0.231 | C | C | . | . | trans | -89.7 | 155.9 | 178.9 | -78 | -65.1 | 0 | 0 | 0 | 110.3 | V129 S143 S145 D147 T149 | H125-V129 HydrophobicContact CB-CG2 3.93Å; H125-S143 PolarHBondContact CD2-OG 3.33Å; H125-S143 PolarHBondContact NE2-O 3.14Å; H125-S143 PolarHBondContact NE2-OG 3.49Å; H125-S145 VanDerWaalsContact CE1-CB 3.46Å; H125-S145 WeakPolarHBondContact CE1-CB 3.36Å; H125-S145 WeakPolarHBondContact ND1-CB 3.39Å; H125-D147 VanDerWaalsContact CA-OD2 3.28Å; H125-D147 WeakPolarHBondContact CA-OD2 3.19Å; H125-D147 WeakPolarHBondContact CB-OD2 3.24Å; H125-D147 IonicContact CE1-OD1 2.94Å; H125-D147 IonicContact CE1-OD2 2.76Å; H125-D147 IonicContact CG-OD2 3.07Å; H125-D147 IonicContact ND1-OD1 3.65Å; H125-D147 PolarHBondContact ND1-OD1 2.85Å; H125-D147 IonicContact ND1-OD2 3.64Å; H125-D147 PolarHBondContact ND1-OD2 2.64Å; H125-T149 PolarHBondContact CE1-OG1 3.23Å; H125-T149 PolarHBondContact ND1-OG1 2.68Å | ||
| 126 | V | 98.3 | Very high | 97.7 | Very high | 127 Ų | 127 | 35.6 Ų | 35.6 | 77% | 0.77 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -109.1 | 3.9 | 179.7 | -61.5 | 0 | 0 | 0 | 0 | 113.4 | D147 | V126-D147 HydrophobicContact CG2-CB 3.52Å; V126-D147 PolarHBondContact N-OD2 2.93Å; V126-D147 VanDerWaalsContact N-OD2 3.08Å |
| 127 | A | 98.4 | Very high | 97.7 | Very high | 21 Ų | 21 | 37.4 Ų | 37.4 | 17% | 0.174 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -151.7 | 175.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110 | S92 V129 S145 V146 D147 | S92-A127 WeakPolarHBondContact OG-CA 3.25Å; S92-A127 PolarHBondContact OG-N 3.33Å; S92-A127 PolarHBondContact OG-O 2.83Å; A127-V129 PolarHBondContact O-N 3.43Å; A127-S145 PolarHBondContact O-OG 3.36Å; A127-V146 HydrophobicContact CB-CB 3.77Å; A127-V146 HydrophobicContact CB-CG1 4Å; A127-D147 HydrophobicContact CB-CB 4.21Å |
| 128 | D | 98.1 | Very high | 97.7 | Very high | 60 Ų | 60 | 31.9 Ų | 31.9 | 32% | 0.321 | 22% | 0.216 | S | C | . | . | trans | -41.7 | 128.3 | -178 | -63.8 | 30.5 | 0 | 0 | 0 | 113.2 | S90 L130 S145 V146 | S90-D128 WeakPolarHBondContact CB-OD2 3.48Å; S90-D128 PolarHBondContact OG-OD2 3.25Å; D128-L130 HydrophobicContact CB-CD2 4.15Å; D128-S145 VanDerWaalsContact O-CA 3.24Å; D128-S145 WeakPolarHBondContact O-CA 3.17Å; D128-S145 WeakPolarHBondContact O-CB 3.31Å; D128-S145 PolarHBondContact O-OG 2.89Å; D128-V146 HydrophobicContact CB-CB 4.43Å; D128-V146 HydrophobicContact CB-CG2 3.84Å; D128-V146 PolarHBondContact O-N 2.87Å | ||
| 129 | V | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 116.9 | 173.3 | -167.9 | 0 | 0 | 0 | 0 | 108 | N74 A88 G89 V94 H125 A127 C144 | N74-V129 WeakPolarHBondContact CB-O 3.38Å; N74-V129 PolarHBondContact ND2-O 2.94Å; A88-V129 HydrophobicContact CB-CB 3.74Å; A88-V129 HydrophobicContact CB-CG1 3.45Å; A88-V129 VanDerWaalsContact CB-CG1 3.45Å; G89-V129 PolarHBondContact O-N 2.95Å; V94-V129 HydrophobicContact CG2-CG1 3.99Å; V94-V129 HydrophobicContact CG2-CG2 4.29Å; H125-V129 HydrophobicContact CB-CG2 3.93Å; A127-V129 PolarHBondContact O-N 3.43Å; V129-C144 CarbonylContact C-O 3.52Å; V129-C144 WeakPolarHBondContact CG1-O 3.41Å |
| 130 | L | 98.2 | Very high | 97.7 | Very high | 16 Ų | 16 | 34.9 Ų | 34.9 | 8% | 0.084 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | -23.2 | -170.3 | -60.9 | -176.7 | 0 | 0 | 0 | 113.4 | D128 C144 V146 I171 K173 R222 | D128-L130 HydrophobicContact CB-CD2 4.15Å; L130-C144 PolarHBondContact N-O 2.84Å; L130-V146 HydrophobicContact CD1-CG2 3.83Å; L130-V146 HydrophobicContact CD2-CG2 4.16Å; L130-V146 HydrophobicContact CG-CG2 4.02Å; L130-I171 HydrophobicContact CD1-CG2 3.36Å; L130-K173 HydrophobicContact CD1-CG 4.12Å; L130-R222 VanDerWaalsContact O-CZ 3.27Å; L130-R222 PolarHBondContact O-NH1 3Å; L130-R222 PolarHBondContact O-NH2 2.88Å |
| 131 | G | 97.9 | Very high | 97.7 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 150.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S143 C144 | G131-S143 WeakPolarHBondContact O-CA 3.42Å; G131-C144 PolarHBondContact N-O 2.83Å; G131-C144 PolarHBondContact O-N 3.06Å |
| 132 | L | 98 | Very high | 97.8 | Very high | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 152.6 | 168.8 | 67.1 | 85.7 | 0 | 0 | 0 | 109.5 | C75 R77 A86 A88 V94 L141 A142 | C75-L132 HydrophobicContact CB-CG 4.24Å; R77-L132 HydrophobicContact CB-CD1 3.4Å; R77-L132 HydrophobicContact CG-CD1 3.47Å; R77-L132 VanDerWaalsContact CG-CD1 3.47Å; R77-L132 HydrophobicContact CG-CG 4.41Å; R77-L132 VanDerWaalsContact CG-O 3.28Å; R77-L132 WeakPolarHBondContact CG-O 3.25Å; A86-L132 HydrophobicContact CB-CD1 4.01Å; A86-L132 HydrophobicContact CB-CD2 4.03Å; A88-L132 HydrophobicContact CB-CB 4.4Å; A88-L132 HydrophobicContact CB-CD2 3.62Å; A88-L132 HydrophobicContact CB-CG 4.32Å; A88-L132 VanDerWaalsContact N-CD2 3.31Å; V94-L132 HydrophobicContact CG1-CD2 4.48Å; L132-L141 HydrophobicContact CB-CD1 4.29Å; L132-L141 HydrophobicContact CD1-CD1 4.04Å; L132-A142 CarbonylContact C-O 3.53Å; L132-A142 WeakPolarHBondContact CA-O 3.28Å; L132-A142 WeakPolarHBondContact CB-O 3.35Å |
| 133 | D | 98.4 | Very high | 97.8 | Very high | 10 Ų | 10 | 30.6 Ų | 30.6 | 5% | 0.053 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 144.2 | 173.4 | -157.2 | 40.6 | 0 | 0 | 0 | 111.8 | A142 R176 F177 | D133-A142 PolarHBondContact N-O 2.8Å; D133-A142 PolarHBondContact O-N 2.89Å; D133-R176 IonicContact OD1-CZ 3.36Å; D133-R176 IonicContact OD1-NH1 2.98Å; D133-R176 PolarHBondContact OD1-NH1 3.21Å; D133-R176 WeakPolarHBondContact OD2-CA 3.29Å; D133-R176 WeakPolarHBondContact OD2-CD 3.37Å; D133-R176 IonicContact OD2-NH1 3.76Å; D133-F177 HydrophobicContact CB-CD2 4.28Å; D133-F177 WeakPolarHBondContact O-CE2 3.31Å; D133-F177 PolarHBondContact OD2-N 2.9Å |
| 134 | W | 98.3 | Very high | 97.8 | Very high | 20 Ų | 20 | 26.6 Ų | 26.6 | 8% | 0.076 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 136.4 | 177.5 | -67.8 | 95.2 | 0 | 0 | 0 | 110.5 | R77 V84 A86 V96 D138 L141 A155 F158 F177 | R77-W134 PolarHBondContact O-NE1 2.76Å; V84-W134 HydrophobicContact CG1-CH2 4.36Å; V84-W134 HydrophobicContact CG1-CZ2 4.25Å; A86-W134 HydrophobicContact CB-CZ2 3.67Å; V96-W134 HydrophobicContact CG1-CH2 4.41Å; V96-W134 HydrophobicContact CG2-CH2 4.39Å; W134-D138 WeakPolarHBondContact CB-OD1 3.25Å; W134-D138 HydrophobicContact CE3-CB 4.06Å; W134-D138 HydrophobicContact CZ3-CB 4.42Å; W134-L141 HydrophobicContact CD2-CB 4.48Å; W134-L141 HydrophobicContact CD2-CD1 3.86Å; W134-L141 HydrophobicContact CE3-CB 4.06Å; W134-L141 HydrophobicContact CE3-CD1 4.29Å; W134-L141 HydrophobicContact CG-CD1 4.13Å; W134-L141 HydrophobicContact CH2-CD2 4.38Å; W134-L141 HydrophobicContact CZ2-CD1 4.35Å; W134-L141 HydrophobicContact CZ2-CD2 4.37Å; W134-L141 HydrophobicContact CZ3-CB 4.08Å; W134-A155 HydrophobicContact CZ3-CB 3.87Å; W134-F158 AromaticContact CH2-CE2 3.96Å; W134-F158 HydrophobicContact CH2-CE2 3.96Å; W134-F158 AromaticContact CH2-CZ 3.77Å; W134-F158 HydrophobicContact CH2-CZ 3.77Å; W134-F158 HydrophobicContact CZ3-CE2 4.26Å; W134-F158 AromaticContact CZ3-CZ 3.88Å; W134-F158 HydrophobicContact CZ3-CZ 3.88Å; W134-F177 VanDerWaalsContact C-CD2 3.43Å |
| 135 | S | 97.9 | Very high | 97.9 | Very high | 4 Ų | 4 | 25.8 Ų | 25.8 | 3% | 0.028 | 15% | 0.145 | C | C | . | . | P | Polyproline II helix | trans | -69.7 | 153.7 | 171.2 | 68.7 | 0 | 0 | 0 | 0 | 110.9 | G137 D138 R139 Y140 F177 | S135-G137 PolarHBondContact O-N 3.02Å; S135-D138 WeakPolarHBondContact O-CA 3.32Å; S135-D138 PolarHBondContact O-N 3.45Å; S135-R139 PolarHBondContact OG-N 3.31Å; S135-R139 VanDerWaalsContact OG-N 3.17Å; S135-Y140 PolarHBondContact N-O 3.1Å; S135-Y140 PolarHBondContact OG-N 3.26Å; S135-Y140 PolarHBondContact OG-O 3.35Å; S135-Y140 VanDerWaalsContact OG-O 3.13Å; S135-F177 VanDerWaalsContact CA-CD2 3.48Å; S135-F177 VanDerWaalsContact N-CD2 3.31Å |
| 136 | P | 95.6 | Very high | 97.9 | Very high | 39 Ų | 39 | 27.7 Ų | 27.7 | 25% | 0.253 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 126.3 | 170.2 | -27.8 | 35.9 | 0 | 0 | 0 | 112.6 | D138 R139 D178 P179 | P136-D138 VanDerWaalsContact C-N 3.33Å; P136-R139 PolarHBondContact O-NH1 3.32Å; P136-D178 WeakPolarHBondContact CG-O 3.3Å; P136-P179 WeakPolarHBondContact CG-O 3.47Å |
| 137 | G | 94.7 | Very high | 97.9 | Very high | 49 Ų | 49 | 23.1 Ų | 23.1 | 51% | 0.505 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 12.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | S135 R139 | S135-G137 PolarHBondContact O-N 3.02Å; G137-R139 VanDerWaalsContact C-N 3.26Å; G137-R139 PolarHBondContact O-N 2.92Å; G137-R139 VanDerWaalsContact O-N 3.16Å |
| 138 | D | 95.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | S | Bend | trans | 48.2 | 44.4 | 175.9 | -55.2 | -60 | 0 | 0 | 0 | 113.4 | S79 S80 R81 W134 S135 P136 A155 | S79-D138 PolarHBondContact OG-OD1 3.15Å; S79-D138 PolarHBondContact OG-OD2 2.73Å; S80-D138 VanDerWaalsContact CA-OD2 3.3Å; S80-D138 WeakPolarHBondContact CA-OD2 3.16Å; S80-D138 WeakPolarHBondContact CB-OD2 3.2Å; S80-D138 PolarHBondContact N-OD1 3.28Å; S80-D138 VanDerWaalsContact N-OD1 3.08Å; S80-D138 PolarHBondContact N-OD2 2.85Å; S80-D138 VanDerWaalsContact OG-CG 3.27Å; S80-D138 PolarHBondContact OG-OD2 2.91Å; R81-D138 HydrophobicContact CG-CB 4.33Å; R81-D138 WeakPolarHBondContact CG-OD2 3.48Å; R81-D138 PolarHBondContact N-OD2 3.3Å; R81-D138 PolarHBondContact NH2-O 3.05Å; W134-D138 WeakPolarHBondContact CB-OD1 3.25Å; W134-D138 HydrophobicContact CE3-CB 4.06Å; W134-D138 HydrophobicContact CZ3-CB 4.42Å; S135-D138 WeakPolarHBondContact O-CA 3.32Å; S135-D138 PolarHBondContact O-N 3.45Å; P136-D138 VanDerWaalsContact C-N 3.33Å; D138-A155 WeakPolarHBondContact O-CB 3.39Å |
| 139 | R | 96.6 | Very high | 97.9 | Very high | 118 Ų | 118 | 22.4 Ų | 22.4 | 45% | 0.445 | 12% | 0.122 | S | C | . | . | S | Bend | trans | -79.2 | -34.8 | 171.9 | -63.2 | -165.3 | -59.6 | -79.4 | 0.8 | 111.4 | S135 P136 G137 A155 | S135-R139 PolarHBondContact OG-N 3.31Å; S135-R139 VanDerWaalsContact OG-N 3.17Å; P136-R139 PolarHBondContact O-NH1 3.32Å; G137-R139 VanDerWaalsContact C-N 3.26Å; G137-R139 PolarHBondContact O-N 2.92Å; G137-R139 VanDerWaalsContact O-N 3.16Å; R139-A155 WeakPolarHBondContact O-CB 3.4Å; R139-A155 PolarHBondContact O-N 3.06Å; R139-A155 VanDerWaalsContact O-N 3.11Å |
| 140 | Y | 98.4 | Very high | 97.9 | Very high | 61 Ų | 61 | 22.4 Ų | 22.4 | 24% | 0.239 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 149.3 | 179.9 | -53.9 | -70.5 | 0 | 0 | 0 | 111.1 | S135 I152 W153 A162 W201 | S135-Y140 PolarHBondContact N-O 3.1Å; S135-Y140 PolarHBondContact OG-N 3.26Å; S135-Y140 PolarHBondContact OG-O 3.35Å; S135-Y140 VanDerWaalsContact OG-O 3.13Å; Y140-I152 HydrophobicContact CD1-CG2 3.65Å; Y140-I152 HydrophobicContact CE1-CG2 4.47Å; Y140-I152 HydrophobicContact CG-CG2 3.86Å; Y140-W153 VanDerWaalsContact CA-O 3.3Å; Y140-W153 WeakPolarHBondContact CA-O 3.47Å; Y140-A162 HydrophobicContact CD1-CB 4.07Å; Y140-A162 HydrophobicContact CE1-CB 3.87Å; Y140-W201 HydrophobicContact CD1-CZ2 4.08Å; Y140-W201 HydrophobicContact CD2-CH2 4.03Å; Y140-W201 AromaticContact CD2-CZ2 3.72Å; Y140-W201 HydrophobicContact CD2-CZ2 3.72Å; Y140-W201 HydrophobicContact CE1-CZ2 4.17Å; Y140-W201 HydrophobicContact CE2-CH2 4.49Å; Y140-W201 AromaticContact CE2-CZ2 3.81Å; Y140-W201 HydrophobicContact CE2-CZ2 3.81Å; Y140-W201 HydrophobicContact CG-CH2 4.2Å; Y140-W201 AromaticContact CG-CZ2 3.85Å; Y140-W201 HydrophobicContact CG-CZ2 3.85Å |
| 141 | L | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 127.4 | 161.7 | 173.2 | 65.9 | 0 | 0 | 0 | 106.6 | A86 V94 V96 M122 L132 W134 W153 F158 | A86-L141 HydrophobicContact CB-CD1 4.19Å; A86-L141 HydrophobicContact CB-CD2 3.82Å; V94-L141 HydrophobicContact CG1-CD2 3.82Å; V96-L141 HydrophobicContact CG2-CD2 4.32Å; M122-L141 HydrophobicContact CE-CD2 4.03Å; L132-L141 HydrophobicContact CB-CD1 4.29Å; L132-L141 HydrophobicContact CD1-CD1 4.04Å; W134-L141 HydrophobicContact CD2-CB 4.48Å; W134-L141 HydrophobicContact CD2-CD1 3.86Å; W134-L141 HydrophobicContact CE3-CB 4.06Å; W134-L141 HydrophobicContact CE3-CD1 4.29Å; W134-L141 HydrophobicContact CG-CD1 4.13Å; W134-L141 HydrophobicContact CH2-CD2 4.38Å; W134-L141 HydrophobicContact CZ2-CD1 4.35Å; W134-L141 HydrophobicContact CZ2-CD2 4.37Å; W134-L141 HydrophobicContact CZ3-CB 4.08Å; L141-W153 HydrophobicContact CB-CB 4.26Å; L141-W153 PolarHBondContact N-O 3.06Å; L141-W153 VanDerWaalsContact N-O 3.12Å; L141-W153 WeakPolarHBondContact O-CB 3.38Å; L141-W153 VanDerWaalsContact O-CD1 3.24Å; L141-W153 PolarHBondContact O-N 3.08Å; L141-F158 HydrophobicContact CB-CE1 4.14Å; L141-F158 HydrophobicContact CB-CZ 4.07Å; L141-F158 HydrophobicContact CD2-CE1 4.12Å; L141-F158 HydrophobicContact CD2-CZ 4.04Å |
| 142 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 145 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | L132 D133 I150 I151 I152 I175 F177 L184 | L132-A142 CarbonylContact C-O 3.53Å; L132-A142 WeakPolarHBondContact CA-O 3.28Å; L132-A142 WeakPolarHBondContact CB-O 3.35Å; D133-A142 PolarHBondContact N-O 2.8Å; D133-A142 PolarHBondContact O-N 2.89Å; A142-I150 HydrophobicContact CB-CG2 4.45Å; A142-I151 CarbonylContact C-O 3.59Å; A142-I151 WeakPolarHBondContact CA-O 3.11Å; A142-I152 HydrophobicContact CB-CD1 3.7Å; A142-I175 HydrophobicContact CB-CD1 3.63Å; A142-I175 VanDerWaalsContact O-CD1 3.31Å; A142-I175 WeakPolarHBondContact O-CD1 3.28Å; A142-F177 HydrophobicContact CB-CD2 4.42Å; A142-F177 HydrophobicContact CB-CE2 3.5Å; A142-F177 VanDerWaalsContact CB-CE2 3.5Å; A142-F177 HydrophobicContact CB-CZ 3.9Å; A142-L184 HydrophobicContact CB-CD1 4.15Å; A142-L184 HydrophobicContact CB-CD2 4.04Å |
| 143 | S | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 145.1 | 171.4 | 61.2 | 0 | 0 | 0 | 0 | 111 | H125 G131 I150 I151 W153 | H125-S143 PolarHBondContact CD2-OG 3.33Å; H125-S143 PolarHBondContact NE2-O 3.14Å; H125-S143 PolarHBondContact NE2-OG 3.49Å; G131-S143 WeakPolarHBondContact O-CA 3.42Å; S143-I150 CarbonylContact O-C 3.54Å; S143-I150 WeakPolarHBondContact O-CA 3.49Å; S143-I150 WeakPolarHBondContact O-CG2 3.33Å; S143-I151 PolarHBondContact N-O 2.83Å; S143-I151 PolarHBondContact O-N 2.8Å; S143-W153 PolarHBondContact OG-NE1 3.08Å |
| 144 | C | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 146.6 | 179.7 | 78.2 | 0 | 0 | 0 | 0 | 111.7 | V129 L130 G131 I150 V172 I175 | V129-C144 CarbonylContact C-O 3.52Å; V129-C144 WeakPolarHBondContact CG1-O 3.41Å; L130-C144 PolarHBondContact N-O 2.84Å; G131-C144 PolarHBondContact N-O 2.83Å; G131-C144 PolarHBondContact O-N 3.06Å; C144-I150 HydrophobicContact CB-CG1 4.08Å; C144-V172 HydrophobicContact CB-CB 3.84Å; C144-V172 HydrophobicContact CB-CG1 3.58Å; C144-V172 PolarHBondContact SG-O 3.17Å; C144-I175 HydrophobicContact CB-CB 4.46Å; C144-I175 HydrophobicContact CB-CD1 4.09Å; C144-I175 HydrophobicContact CB-CG1 4.1Å; C144-I175 HydrophobicContact CB-CG2 3.59Å |
| 145 | S | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 164.7 | -165.1 | 172.2 | 0 | 0 | 0 | 0 | 114.1 | H125 A127 D128 D147 N148 T149 V172 | H125-S145 VanDerWaalsContact CE1-CB 3.46Å; H125-S145 WeakPolarHBondContact CE1-CB 3.36Å; H125-S145 WeakPolarHBondContact ND1-CB 3.39Å; A127-S145 PolarHBondContact O-OG 3.36Å; D128-S145 VanDerWaalsContact O-CA 3.24Å; D128-S145 WeakPolarHBondContact O-CA 3.17Å; D128-S145 WeakPolarHBondContact O-CB 3.31Å; D128-S145 PolarHBondContact O-OG 2.89Å; S145-D147 VanDerWaalsContact CB-OD1 3.31Å; S145-D147 WeakPolarHBondContact CB-OD1 3.46Å; S145-D147 PolarHBondContact O-N 3.36Å; S145-D147 VanDerWaalsContact OG-CG 3.29Å; S145-D147 PolarHBondContact OG-N 3.05Å; S145-D147 PolarHBondContact OG-OD1 2.96Å; S145-N148 PolarHBondContact O-N 3.24Å; S145-T149 PolarHBondContact N-O 2.8Å; S145-V172 PolarHBondContact O-N 3.07Å |
| 146 | V | 98.3 | Very high | 97.9 | Very high | 50 Ų | 50 | 26.6 Ų | 26.6 | 30% | 0.303 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -18.6 | 164.2 | 174.8 | 0 | 0 | 0 | 0 | 112.7 | A127 D128 L130 N148 I171 | A127-V146 HydrophobicContact CB-CB 3.77Å; A127-V146 HydrophobicContact CB-CG1 4Å; D128-V146 HydrophobicContact CB-CB 4.43Å; D128-V146 HydrophobicContact CB-CG2 3.84Å; D128-V146 PolarHBondContact O-N 2.87Å; L130-V146 HydrophobicContact CD1-CG2 3.83Å; L130-V146 HydrophobicContact CD2-CG2 4.16Å; L130-V146 HydrophobicContact CG-CG2 4.02Å; V146-N148 PolarHBondContact O-N 2.94Å; V146-N148 VanDerWaalsContact O-N 3.14Å; V146-N148 PolarHBondContact O-OD1 2.96Å; V146-I171 HydrophobicContact CB-CG1 4.41Å; V146-I171 HydrophobicContact CB-CG2 4.48Å; V146-I171 HydrophobicContact CG1-CD1 3.99Å; V146-I171 HydrophobicContact CG1-CG1 4.09Å; V146-I171 HydrophobicContact CG2-CD1 4.21Å; V146-I171 HydrophobicContact CG2-CG1 4.46Å; V146-I171 HydrophobicContact CG2-CG2 3.98Å |
| 147 | D | 98.4 | Very high | 97.9 | Very high | 32 Ų | 32 | 30.9 Ų | 30.9 | 17% | 0.171 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | 10.7 | 174.5 | 71.7 | 16.5 | 0 | 0 | 0 | 114.9 | H125 V126 A127 S145 T149 | H125-D147 VanDerWaalsContact CA-OD2 3.28Å; H125-D147 WeakPolarHBondContact CA-OD2 3.19Å; H125-D147 WeakPolarHBondContact CB-OD2 3.24Å; H125-D147 IonicContact CE1-OD1 2.94Å; H125-D147 IonicContact CE1-OD2 2.76Å; H125-D147 IonicContact CG-OD2 3.07Å; H125-D147 IonicContact ND1-OD1 3.65Å; H125-D147 PolarHBondContact ND1-OD1 2.85Å; H125-D147 IonicContact ND1-OD2 3.64Å; H125-D147 PolarHBondContact ND1-OD2 2.64Å; V126-D147 HydrophobicContact CG2-CB 3.52Å; V126-D147 PolarHBondContact N-OD2 2.93Å; V126-D147 VanDerWaalsContact N-OD2 3.08Å; A127-D147 HydrophobicContact CB-CB 4.21Å; S145-D147 VanDerWaalsContact CB-OD1 3.31Å; S145-D147 WeakPolarHBondContact CB-OD1 3.46Å; S145-D147 PolarHBondContact O-N 3.36Å; S145-D147 VanDerWaalsContact OG-CG 3.29Å; S145-D147 PolarHBondContact OG-N 3.05Å; S145-D147 PolarHBondContact OG-OD1 2.96Å; D147-T149 PolarHBondContact O-N 2.94Å; D147-T149 WeakPolarHBondContact OD1-CB 3.38Å; D147-T149 PolarHBondContact OD1-N 3.1Å; D147-T149 PolarHBondContact OD1-OG1 3.13Å; D147-T149 PolarHBondContact OD2-OG1 2.91Å |
| 148 | N | 98.3 | Very high | 98.1 | Very high | 53 Ų | 53 | 31 Ų | 31 | 28% | 0.283 | 15% | 0.147 | S | C | . | . | S | Bend | trans | 65.6 | 10.1 | -179.8 | -49.3 | -17.5 | 0 | 0 | 0 | 114.6 | S145 V146 S170 I171 | S145-N148 PolarHBondContact O-N 3.24Å; V146-N148 PolarHBondContact O-N 2.94Å; V146-N148 VanDerWaalsContact O-N 3.14Å; V146-N148 PolarHBondContact O-OD1 2.96Å; N148-S170 VanDerWaalsContact CG-C 3.43Å; N148-S170 WeakPolarHBondContact OD1-CA 3.29Å; N148-S170 PolarHBondContact OD1-O 3.41Å; N148-I171 PolarHBondContact OD1-N 3.19Å; N148-I171 VanDerWaalsContact OD1-N 3.1Å |
| 149 | T | 98.7 | Very high | 98.1 | Very high | 12 Ų | 12 | 34.9 Ų | 34.9 | 7% | 0.074 | 17% | 0.172 | C | C | . | . | trans | -111 | 160 | -179.3 | 74.3 | 0 | 0 | 0 | 0 | 112.8 | H125 S145 D147 T164 | H125-T149 PolarHBondContact CE1-OG1 3.23Å; H125-T149 PolarHBondContact ND1-OG1 2.68Å; S145-T149 PolarHBondContact N-O 2.8Å; D147-T149 PolarHBondContact O-N 2.94Å; D147-T149 WeakPolarHBondContact OD1-CB 3.38Å; D147-T149 PolarHBondContact OD1-N 3.1Å; D147-T149 PolarHBondContact OD1-OG1 3.13Å; D147-T149 PolarHBondContact OD2-OG1 2.91Å; T149-T164 HydrophobicContact CG2-CG2 4.36Å | ||
| 150 | I | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 127.9 | 164.2 | -57.4 | 163.4 | 0 | 0 | 0 | 107 | A142 S143 C144 I152 T164 L165 V172 I175 L184 S186 W196 | A142-I150 HydrophobicContact CB-CG2 4.45Å; S143-I150 CarbonylContact O-C 3.54Å; S143-I150 WeakPolarHBondContact O-CA 3.49Å; S143-I150 WeakPolarHBondContact O-CG2 3.33Å; C144-I150 HydrophobicContact CB-CG1 4.08Å; I150-I152 HydrophobicContact CG2-CD1 4.03Å; I150-T164 CarbonylContact O-C 3.44Å; I150-T164 WeakPolarHBondContact O-CA 3.39Å; I150-L165 HydrophobicContact CB-CB 4.04Å; I150-L165 HydrophobicContact CB-CD1 4.13Å; I150-L165 HydrophobicContact CB-CG 4.09Å; I150-L165 HydrophobicContact CD1-CD1 4.32Å; I150-L165 HydrophobicContact CG2-CD1 4.04Å; I150-L165 HydrophobicContact CG2-CG 4.3Å; I150-L165 PolarHBondContact N-O 2.89Å; I150-L165 VanDerWaalsContact N-O 3.17Å; I150-L165 PolarHBondContact O-N 2.78Å; I150-V172 HydrophobicContact CD1-CG1 4.16Å; I150-V172 HydrophobicContact CG1-CG1 3.95Å; I150-V172 HydrophobicContact CG1-CG2 4.38Å; I150-I175 HydrophobicContact CD1-CG2 3.93Å; I150-I175 HydrophobicContact CG1-CG2 4.1Å; I150-I175 HydrophobicContact CG2-CG2 4.36Å; I150-L184 HydrophobicContact CG2-CD2 3.94Å; I150-S186 VanDerWaalsContact CD1-CB 3.4Å; I150-W196 HydrophobicContact CD1-CZ2 4.47Å |
| 151 | I | 98.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 131.9 | 174 | -61.8 | 172.1 | 0 | 0 | 0 | 108.7 | G124 A142 S143 W153 K161 T164 | G124-I151 VanDerWaalsContact O-CD1 3.27Å; G124-I151 WeakPolarHBondContact O-CD1 3.28Å; A142-I151 CarbonylContact C-O 3.59Å; A142-I151 WeakPolarHBondContact CA-O 3.11Å; S143-I151 PolarHBondContact N-O 2.83Å; S143-I151 PolarHBondContact O-N 2.8Å; I151-W153 HydrophobicContact CB-CZ2 4.11Å; I151-W153 HydrophobicContact CD1-CZ2 4.06Å; I151-W153 HydrophobicContact CG2-CD2 3.75Å; I151-W153 HydrophobicContact CG2-CE3 4.2Å; I151-W153 HydrophobicContact CG2-CG 4.29Å; I151-W153 HydrophobicContact CG2-CH2 4.07Å; I151-W153 HydrophobicContact CG2-CZ2 3.56Å; I151-W153 HydrophobicContact CG2-CZ3 4.35Å; I151-K161 HydrophobicContact CG2-CB 4.44Å; I151-K161 HydrophobicContact CG2-CD 3.91Å; I151-K161 HydrophobicContact CG2-CG 3.8Å; I151-T164 HydrophobicContact CG1-CG2 4.3Å |
| 152 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 119.7 | 171.4 | -50.9 | -55.6 | 0 | 0 | 0 | 107.7 | Y140 A142 I150 K161 A162 A163 L165 L184 W201 | Y140-I152 HydrophobicContact CD1-CG2 3.65Å; Y140-I152 HydrophobicContact CE1-CG2 4.47Å; Y140-I152 HydrophobicContact CG-CG2 3.86Å; A142-I152 HydrophobicContact CB-CD1 3.7Å; I150-I152 HydrophobicContact CG2-CD1 4.03Å; I152-K161 CarbonylContact O-C 3.57Å; I152-A162 HydrophobicContact CB-CB 4.42Å; I152-A162 HydrophobicContact CG2-CB 4Å; I152-A162 PolarHBondContact O-N 3.01Å; I152-A163 HydrophobicContact CB-CB 4.15Å; I152-A163 HydrophobicContact CG1-CB 4.13Å; I152-A163 PolarHBondContact N-O 2.83Å; I152-A163 PolarHBondContact O-N 3.1Å; I152-L165 HydrophobicContact CD1-CD1 4.16Å; I152-L165 HydrophobicContact CD1-CG 4.44Å; I152-L165 HydrophobicContact CG1-CD1 4.37Å; I152-L165 HydrophobicContact CG1-CD2 4.16Å; I152-L165 HydrophobicContact CG1-CG 4.22Å; I152-L184 HydrophobicContact CD1-CD2 3.75Å; I152-W201 HydrophobicContact CB-CH2 4.4Å; I152-W201 HydrophobicContact CB-CZ2 4.28Å; I152-W201 HydrophobicContact CD1-CE3 4.01Å; I152-W201 HydrophobicContact CD1-CH2 3.97Å; I152-W201 HydrophobicContact CD1-CZ3 3.61Å; I152-W201 HydrophobicContact CG1-CD2 3.92Å; I152-W201 HydrophobicContact CG1-CE3 3.73Å; I152-W201 HydrophobicContact CG1-CH2 3.97Å; I152-W201 HydrophobicContact CG1-CZ2 4.18Å; I152-W201 HydrophobicContact CG1-CZ3 3.74Å; I152-W201 HydrophobicContact CG2-CH2 3.59Å; I152-W201 HydrophobicContact CG2-CZ2 3.37Å; I152-W201 HydrophobicContact CG2-CZ3 4.27Å |
| 153 | W | 98.7 | Very high | 98.2 | Very high | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.015 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 137.7 | 179.5 | -54.5 | 97.7 | 0 | 0 | 0 | 110.5 | M122 Y140 L141 S143 I151 A155 F158 P159 K161 | M122-W153 HydrophobicContact CB-CD2 4.28Å; M122-W153 HydrophobicContact CB-CE3 4.1Å; M122-W153 HydrophobicContact CB-CH2 3.53Å; M122-W153 HydrophobicContact CB-CZ2 3.76Å; M122-W153 HydrophobicContact CB-CZ3 3.72Å; M122-W153 HydrophobicContact CG-CD2 4.09Å; M122-W153 HydrophobicContact CG-CE3 3.75Å; M122-W153 HydrophobicContact CG-CH2 4.1Å; M122-W153 HydrophobicContact CG-CZ2 4.45Å; M122-W153 HydrophobicContact CG-CZ3 3.75Å; M122-W153 HydrophobicContact SD-CB 3.96Å; M122-W153 HydrophobicContact SD-CD2 3.37Å; M122-W153 HydrophobicContact SD-CE3 3.54Å; M122-W153 VanDerWaalsContact SD-CE3 3.54Å; M122-W153 HydrophobicContact SD-CG 3.58Å; M122-W153 VanDerWaalsContact SD-CG 3.58Å; M122-W153 HydrophobicContact SD-CZ2 4.5Å; M122-W153 HydrophobicContact SD-CZ3 4.15Å; Y140-W153 VanDerWaalsContact CA-O 3.3Å; Y140-W153 WeakPolarHBondContact CA-O 3.47Å; L141-W153 HydrophobicContact CB-CB 4.26Å; L141-W153 PolarHBondContact N-O 3.06Å; L141-W153 VanDerWaalsContact N-O 3.12Å; L141-W153 WeakPolarHBondContact O-CB 3.38Å; L141-W153 VanDerWaalsContact O-CD1 3.24Å; L141-W153 PolarHBondContact O-N 3.08Å; S143-W153 PolarHBondContact OG-NE1 3.08Å; I151-W153 HydrophobicContact CB-CZ2 4.11Å; I151-W153 HydrophobicContact CD1-CZ2 4.06Å; I151-W153 HydrophobicContact CG2-CD2 3.75Å; I151-W153 HydrophobicContact CG2-CE3 4.2Å; I151-W153 HydrophobicContact CG2-CG 4.29Å; I151-W153 HydrophobicContact CG2-CH2 4.07Å; I151-W153 HydrophobicContact CG2-CZ2 3.56Å; I151-W153 HydrophobicContact CG2-CZ3 4.35Å; W153-A155 PolarHBondContact O-N 2.8Å; W153-F158 HydrophobicContact CB-CD1 4.08Å; W153-F158 HydrophobicContact CB-CE1 3.66Å; W153-P159 VanDerWaalsContact CZ3-O 3.27Å; W153-P159 WeakPolarHBondContact CZ3-O 3.42Å; W153-K161 HydrophobicContact CE3-CG 3.88Å; W153-K161 HydrophobicContact CH2-CG 4.15Å; W153-K161 HydrophobicContact CZ3-CD 4.41Å; W153-K161 HydrophobicContact CZ3-CG 3.57Å |
| 154 | N | 98 | Very high | 98.2 | Very high | 26 Ų | 26 | 40.4 Ų | 40.4 | 14% | 0.139 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 105.9 | 172.7 | -175.2 | -20.4 | 0 | 0 | 0 | 109.4 | N156 K157 F158 E160 | N154-N156 PolarHBondContact O-N 3.29Å; N154-N156 VanDerWaalsContact O-N 3.14Å; N154-N156 PolarHBondContact OD1-N 3.03Å; N154-N156 VanDerWaalsContact OD1-N 3.13Å; N154-K157 HydrophobicContact CB-CB 4.39Å; N154-K157 CarbonylContact O-C 3.58Å; N154-K157 PolarHBondContact O-N 2.77Å; N154-F158 PolarHBondContact O-N 2.86Å; N154-E160 HydrophobicContact CB-CB 4.17Å; N154-E160 HydrophobicContact CB-CG 4.36Å; N154-E160 PolarHBondContact N-O 2.96Å; N154-E160 PolarHBondContact ND2-OE1 3.14Å |
| 155 | A | 97.4 | Very high | 98.2 | Very high | 7 Ų | 7 | 40.8 Ų | 40.8 | 6% | 0.058 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -14.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | W134 D138 R139 W153 F158 | W134-A155 HydrophobicContact CZ3-CB 3.87Å; D138-A155 WeakPolarHBondContact O-CB 3.39Å; R139-A155 WeakPolarHBondContact O-CB 3.4Å; R139-A155 PolarHBondContact O-N 3.06Å; R139-A155 VanDerWaalsContact O-N 3.11Å; W153-A155 PolarHBondContact O-N 2.8Å; A155-F158 HydrophobicContact CB-CE2 4.21Å; A155-F158 HydrophobicContact CB-CZ 3.89Å |
| 156 | N | 96.1 | Very high | 98.1 | Very high | 103 Ų | 103 | 49.5 Ų | 49.5 | 55% | 0.551 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -11.4 | 174.7 | -65.5 | -42.5 | 0 | 0 | 0 | 113.1 | R81 N154 | R81-N156 PolarHBondContact NH2-OD1 3.39Å; N154-N156 PolarHBondContact O-N 3.29Å; N154-N156 VanDerWaalsContact O-N 3.14Å; N154-N156 PolarHBondContact OD1-N 3.03Å; N154-N156 VanDerWaalsContact OD1-N 3.13Å |
| 157 | K | 96.9 | Very high | 98.1 | Very high | 130 Ų | 130 | 48.8 Ų | 48.8 | 57% | 0.565 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -142.5 | 39.3 | -172 | -62.7 | -173.7 | 179.2 | -179.4 | 0 | 112.6 | N154 E160 | N154-K157 HydrophobicContact CB-CB 4.39Å; N154-K157 CarbonylContact O-C 3.58Å; N154-K157 PolarHBondContact O-N 2.77Å; K157-E160 HydrophobicContact CB-CB 4.11Å; K157-E160 WeakPolarHBondContact CD-OE2 3.31Å; K157-E160 WeakPolarHBondContact O-CB 3.38Å; K157-E160 PolarHBondContact O-N 2.82Å |
| 158 | F | 97.5 | Very high | 98 | Very high | 51 Ų | 51 | 47.9 Ų | 47.9 | 22% | 0.224 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | 137.4 | 176.1 | -67.3 | -57.1 | 0 | 0 | 0 | 111.1 | V96 A120 M122 W134 L141 W153 N154 A155 | V96-F158 HydrophobicContact CG1-CE2 4.41Å; V96-F158 HydrophobicContact CG2-CD2 4.16Å; V96-F158 HydrophobicContact CG2-CE1 4.45Å; V96-F158 HydrophobicContact CG2-CE2 3.74Å; V96-F158 HydrophobicContact CG2-CZ 3.88Å; A120-F158 HydrophobicContact CB-CB 3.63Å; A120-F158 HydrophobicContact CB-CD2 4.26Å; A120-F158 HydrophobicContact CB-CG 4.09Å; M122-F158 HydrophobicContact CE-CD1 4.02Å; M122-F158 HydrophobicContact CE-CE1 3.99Å; M122-F158 HydrophobicContact CG-CD1 4.47Å; M122-F158 HydrophobicContact SD-CD1 3.32Å; M122-F158 WeakPolarHBondContact SD-CD1 3.35Å; M122-F158 HydrophobicContact SD-CE1 3.59Å; M122-F158 VanDerWaalsContact SD-CE1 3.59Å; M122-F158 HydrophobicContact SD-CG 4.24Å; W134-F158 AromaticContact CH2-CE2 3.96Å; W134-F158 HydrophobicContact CH2-CE2 3.96Å; W134-F158 AromaticContact CH2-CZ 3.77Å; W134-F158 HydrophobicContact CH2-CZ 3.77Å; W134-F158 HydrophobicContact CZ3-CE2 4.26Å; W134-F158 AromaticContact CZ3-CZ 3.88Å; W134-F158 HydrophobicContact CZ3-CZ 3.88Å; L141-F158 HydrophobicContact CB-CE1 4.14Å; L141-F158 HydrophobicContact CB-CZ 4.07Å; L141-F158 HydrophobicContact CD2-CE1 4.12Å; L141-F158 HydrophobicContact CD2-CZ 4.04Å; W153-F158 HydrophobicContact CB-CD1 4.08Å; W153-F158 HydrophobicContact CB-CE1 3.66Å; N154-F158 PolarHBondContact O-N 2.86Å; A155-F158 HydrophobicContact CB-CE2 4.21Å; A155-F158 HydrophobicContact CB-CZ 3.89Å |
| 159 | P | 97.2 | Very high | 98 | Very high | 83 Ų | 83 | 51.7 Ų | 51.7 | 54% | 0.539 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -96 | 27.4 | 7.7 | 38.9 | -36.9 | 0 | 0 | 0 | 115.1 | M122 W153 K161 | M122-P159 HydrophobicContact CG-CB 3.69Å; W153-P159 VanDerWaalsContact CZ3-O 3.27Å; W153-P159 WeakPolarHBondContact CZ3-O 3.42Å; P159-K161 PolarHBondContact O-N 3.43Å |
| 160 | E | 98.2 | Very high | 97.9 | Very high | 85 Ų | 85 | 52.8 Ų | 52.8 | 40% | 0.397 | 28% | 0.275 | S | S | . | . | trans | -58.9 | 129.3 | -179 | -175 | -171.9 | 118.7 | 0 | 0 | 112.4 | N154 K157 | N154-E160 HydrophobicContact CB-CB 4.17Å; N154-E160 HydrophobicContact CB-CG 4.36Å; N154-E160 PolarHBondContact N-O 2.96Å; N154-E160 PolarHBondContact ND2-OE1 3.14Å; K157-E160 HydrophobicContact CB-CB 4.11Å; K157-E160 WeakPolarHBondContact CD-OE2 3.31Å; K157-E160 WeakPolarHBondContact O-CB 3.38Å; K157-E160 PolarHBondContact O-N 2.82Å | ||
| 161 | K | 98.3 | Very high | 97.8 | Very high | 95 Ų | 95 | 54.5 Ų | 54.5 | 41% | 0.413 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 122.8 | 170.4 | -64 | -176.7 | -179 | -175.1 | 0 | 109.2 | G124 I151 I152 W153 P159 | G124-K161 PolarHBondContact O-NZ 2.89Å; I151-K161 HydrophobicContact CG2-CB 4.44Å; I151-K161 HydrophobicContact CG2-CD 3.91Å; I151-K161 HydrophobicContact CG2-CG 3.8Å; I152-K161 CarbonylContact O-C 3.57Å; W153-K161 HydrophobicContact CE3-CG 3.88Å; W153-K161 HydrophobicContact CH2-CG 4.15Å; W153-K161 HydrophobicContact CZ3-CD 4.41Å; W153-K161 HydrophobicContact CZ3-CG 3.57Å; P159-K161 PolarHBondContact O-N 3.43Å |
| 162 | A | 98.3 | Very high | 97.8 | Very high | 43 Ų | 43 | 54.4 Ų | 54.4 | 36% | 0.355 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | -36.6 | 170 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y140 I152 | Y140-A162 HydrophobicContact CD1-CB 4.07Å; Y140-A162 HydrophobicContact CE1-CB 3.87Å; I152-A162 HydrophobicContact CB-CB 4.42Å; I152-A162 HydrophobicContact CG2-CB 4Å; I152-A162 PolarHBondContact O-N 3.01Å |
| 163 | A | 98.5 | Very high | 97.7 | Very high | 20 Ų | 20 | 54.9 Ų | 54.9 | 17% | 0.165 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 164.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | I152 L165 W201 | I152-A163 HydrophobicContact CB-CB 4.15Å; I152-A163 HydrophobicContact CG1-CB 4.13Å; I152-A163 PolarHBondContact N-O 2.83Å; I152-A163 PolarHBondContact O-N 3.1Å; A163-L165 HydrophobicContact CB-CD2 4.08Å; A163-W201 HydrophobicContact CB-CB 4.03Å; A163-W201 HydrophobicContact CB-CD2 4.31Å; A163-W201 HydrophobicContact CB-CG 3.67Å |
| 164 | T | 98.6 | Very high | 97.7 | Very high | 51 Ų | 51 | 54.7 Ų | 54.7 | 31% | 0.313 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 110.4 | 166.1 | -61.4 | 0 | 0 | 0 | 0 | 108 | T149 I150 I151 R166 | T149-T164 HydrophobicContact CG2-CG2 4.36Å; I150-T164 CarbonylContact O-C 3.44Å; I150-T164 WeakPolarHBondContact O-CA 3.39Å; I151-T164 HydrophobicContact CG1-CG2 4.3Å; T164-R166 HydrophobicContact CG2-CG 4.46Å |
| 165 | L | 98.7 | Very high | 97.7 | Very high | 8 Ų | 8 | 54 Ų | 54 | 4% | 0.042 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 123.7 | -177.5 | -36.8 | -174.6 | 0 | 0 | 0 | 108.5 | I150 I152 A163 L184 W196 W201 | I150-L165 HydrophobicContact CB-CB 4.04Å; I150-L165 HydrophobicContact CB-CD1 4.13Å; I150-L165 HydrophobicContact CB-CG 4.09Å; I150-L165 HydrophobicContact CD1-CD1 4.32Å; I150-L165 HydrophobicContact CG2-CD1 4.04Å; I150-L165 HydrophobicContact CG2-CG 4.3Å; I150-L165 PolarHBondContact N-O 2.89Å; I150-L165 VanDerWaalsContact N-O 3.17Å; I150-L165 PolarHBondContact O-N 2.78Å; I152-L165 HydrophobicContact CD1-CD1 4.16Å; I152-L165 HydrophobicContact CD1-CG 4.44Å; I152-L165 HydrophobicContact CG1-CD1 4.37Å; I152-L165 HydrophobicContact CG1-CD2 4.16Å; I152-L165 HydrophobicContact CG1-CG 4.22Å; A163-L165 HydrophobicContact CB-CD2 4.08Å; L165-L184 HydrophobicContact CD1-CD2 3.93Å; L165-W196 HydrophobicContact CB-CD2 4.3Å; L165-W196 HydrophobicContact CB-CE3 4.08Å; L165-W196 HydrophobicContact CB-CH2 4.04Å; L165-W196 HydrophobicContact CB-CZ2 4.24Å; L165-W196 HydrophobicContact CB-CZ3 3.94Å; L165-W196 HydrophobicContact CD1-CB 4.1Å; L165-W196 HydrophobicContact CD1-CD2 3.66Å; L165-W196 HydrophobicContact CD1-CE3 4.01Å; L165-W196 HydrophobicContact CD1-CG 3.69Å; L165-W196 HydrophobicContact CG-CE3 4.46Å; L165-W201 HydrophobicContact CD1-CE3 4.31Å; L165-W201 HydrophobicContact CD2-CB 3.56Å; L165-W201 HydrophobicContact CD2-CD2 4.36Å; L165-W201 HydrophobicContact CD2-CE3 4.21Å; L165-W201 HydrophobicContact CD2-CG 4.13Å |
| 166 | R | 98.3 | Very high | 97.7 | Very high | 184 Ų | 184 | 56.7 Ų | 56.7 | 69% | 0.694 | 29% | 0.289 | S | S | * | . | trans | -118.3 | 148.3 | 178.1 | -61.6 | -178.1 | -179 | -79.5 | 0.2 | 108.7 | T164 W196 | T164-R166 HydrophobicContact CG2-CG 4.46Å; R166-W196 WeakPolarHBondContact O-CH2 3.41Å | ||
| 167 | G | 96.3 | Very high | 97.8 | Very high | 35 Ų | 35 | 52.2 Ų | 52.2 | 36% | 0.361 | 27% | 0.265 | S | S | . | . | trans | 148.3 | -30.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E169 R194 | G167-E169 PolarHBondContact O-N 3.03Å; G167-R194 VanDerWaalsContact C-NH1 3.3Å; G167-R194 PolarHBondContact O-NH1 2.95Å; G167-R194 PolarHBondContact O-NH2 3.3Å | ||
| 168 | H | 98.2 | Very high | 97.8 | Very high | 12 Ų | 12 | 46 Ų | 46 | 6% | 0.056 | 24% | 0.238 | C | C | . | . | trans | -59.6 | 134 | 169.9 | -85.5 | -68.8 | 0 | 0 | 0 | 110.2 | V172 S186 D190 T192 | H168-V172 HydrophobicContact CB-CG2 3.71Å; H168-V172 VanDerWaalsContact CD2-CG2 3.47Å; H168-V172 WeakPolarHBondContact CD2-CG2 3.45Å; H168-S186 PolarHBondContact NE2-OG 3.5Å; H168-S186 VanDerWaalsContact NE2-OG 3.09Å; H168-D190 VanDerWaalsContact CA-OD2 3.24Å; H168-D190 WeakPolarHBondContact CA-OD2 3.14Å; H168-D190 IonicContact CE1-OD1 3.54Å; H168-D190 IonicContact CE1-OD2 3.67Å; H168-D190 IonicContact CG-OD2 3.07Å; H168-D190 VanDerWaalsContact ND1-CG 3.25Å; H168-D190 IonicContact ND1-OD1 3.46Å; H168-D190 PolarHBondContact ND1-OD1 2.91Å; H168-D190 IonicContact ND1-OD2 2.76Å; H168-D190 PolarHBondContact ND1-OD2 3.16Å; H168-T192 PolarHBondContact CE1-OG1 3.16Å; H168-T192 VanDerWaalsContact CE1-OG1 3.23Å; H168-T192 PolarHBondContact ND1-OG1 2.53Å | ||
| 169 | E | 97.3 | Very high | 97.8 | Very high | 133 Ų | 133 | 46.2 Ų | 46.2 | 62% | 0.621 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -93.8 | -1.5 | -175.2 | -66.6 | 164 | -150.4 | 0 | 0 | 112.2 | G167 D190 R208 | G167-E169 PolarHBondContact O-N 3.03Å; E169-D190 HydrophobicContact CB-CB 4Å; E169-D190 PolarHBondContact N-OD2 2.88Å; E169-R208 IonicContact OE1-NH2 2.71Å; E169-R208 PolarHBondContact OE1-NH2 2.9Å |
| 170 | S | 96.9 | Very high | 97.7 | Very high | 35 Ų | 35 | 46.1 Ų | 46.1 | 25% | 0.245 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -158.1 | -174.5 | 178.8 | -165 | 0 | 0 | 0 | 0 | 109.5 | N148 V172 | N148-S170 VanDerWaalsContact CG-C 3.43Å; N148-S170 WeakPolarHBondContact OD1-CA 3.29Å; N148-S170 PolarHBondContact OD1-O 3.41Å; S170-V172 PolarHBondContact O-N 3.17Å |
| 171 | I | 97.3 | Very high | 97.6 | Very high | 37 Ų | 37 | 42.3 Ų | 42.3 | 19% | 0.19 | 22% | 0.222 | C | C | . | . | trans | -51.2 | 130.8 | -171.2 | -60.8 | 179.8 | 0 | 0 | 0 | 111.3 | L130 V146 N148 K173 G188 E189 | L130-I171 HydrophobicContact CD1-CG2 3.36Å; V146-I171 HydrophobicContact CB-CG1 4.41Å; V146-I171 HydrophobicContact CB-CG2 4.48Å; V146-I171 HydrophobicContact CG1-CD1 3.99Å; V146-I171 HydrophobicContact CG1-CG1 4.09Å; V146-I171 HydrophobicContact CG2-CD1 4.21Å; V146-I171 HydrophobicContact CG2-CG1 4.46Å; V146-I171 HydrophobicContact CG2-CG2 3.98Å; N148-I171 PolarHBondContact OD1-N 3.19Å; N148-I171 VanDerWaalsContact OD1-N 3.1Å; I171-K173 HydrophobicContact CB-CG 4.41Å; I171-K173 HydrophobicContact CG2-CD 4.5Å; I171-K173 HydrophobicContact CG2-CG 3.65Å; I171-K173 PolarHBondContact O-N 2.93Å; I171-G188 CarbonylContact O-C 3.51Å; I171-G188 WeakPolarHBondContact O-CA 3.47Å; I171-E189 HydrophobicContact CB-CB 4.15Å; I171-E189 PolarHBondContact O-N 2.91Å | ||
| 172 | V | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 107.5 | 172.3 | -166.5 | 0 | 0 | 0 | 0 | 109.1 | C144 S145 I150 H168 S170 I175 | C144-V172 HydrophobicContact CB-CB 3.84Å; C144-V172 HydrophobicContact CB-CG1 3.58Å; C144-V172 PolarHBondContact SG-O 3.17Å; S145-V172 PolarHBondContact O-N 3.07Å; I150-V172 HydrophobicContact CD1-CG1 4.16Å; I150-V172 HydrophobicContact CG1-CG1 3.95Å; I150-V172 HydrophobicContact CG1-CG2 4.38Å; H168-V172 HydrophobicContact CB-CG2 3.71Å; H168-V172 VanDerWaalsContact CD2-CG2 3.47Å; H168-V172 WeakPolarHBondContact CD2-CG2 3.45Å; S170-V172 PolarHBondContact O-N 3.17Å; V172-I175 HydrophobicContact CG1-CG2 4.36Å |
| 173 | K | 97.5 | Very high | 97.6 | Very high | 10 Ų | 10 | 44 Ų | 44 | 4% | 0.043 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -8.1 | -169.7 | -66.2 | -176.1 | 170.3 | 171.2 | 0 | 113.8 | L130 I171 Q187 E189 G216 T218 L221 R222 | L130-K173 HydrophobicContact CD1-CG 4.12Å; I171-K173 HydrophobicContact CB-CG 4.41Å; I171-K173 HydrophobicContact CG2-CD 4.5Å; I171-K173 HydrophobicContact CG2-CG 3.65Å; I171-K173 PolarHBondContact O-N 2.93Å; K173-Q187 PolarHBondContact N-O 3.22Å; K173-E189 HydrophobicContact CD-CB 4.38Å; K173-E189 WeakPolarHBondContact CE-OE2 3.39Å; K173-E189 IonicContact NZ-OE1 2.7Å; K173-E189 IonicContact NZ-OE2 3.96Å; K173-E189 PolarHBondContact NZ-OE2 2.84Å; K173-G216 PolarHBondContact NZ-O 2.79Å; K173-T218 WeakPolarHBondContact CD-O 3.44Å; K173-T218 WeakPolarHBondContact CE-O 3.48Å; K173-T218 PolarHBondContact NZ-O 3.24Å; K173-L221 HydrophobicContact CB-CB 3.94Å; K173-L221 HydrophobicContact CB-CD1 3.85Å; K173-L221 HydrophobicContact CB-CG 3.74Å; K173-L221 HydrophobicContact CD-CD1 4.26Å; K173-L221 HydrophobicContact CD-CG 4.35Å; K173-L221 PolarHBondContact O-N 3.2Å; K173-R222 PolarHBondContact O-NH1 3.14Å |
| 174 | G | 97.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163 | 142 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | S186 Q187 L221 | G174-S186 CarbonylContact O-C 3.58Å; G174-S186 VanDerWaalsContact O-CA 3.26Å; G174-S186 WeakPolarHBondContact O-CA 3.48Å; G174-Q187 PolarHBondContact N-O 2.85Å; G174-Q187 VanDerWaalsContact N-O 3.16Å; G174-Q187 PolarHBondContact O-N 3.33Å; G174-L221 WeakPolarHBondContact CA-O 3.3Å |
| 175 | I | 98.3 | Very high | 97.6 | Very high | 11 Ų | 11 | 40.7 Ų | 40.7 | 6% | 0.056 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 151.4 | 170.4 | 50.8 | 169.4 | 0 | 0 | 0 | 110.6 | A142 C144 I150 V172 L184 A185 | A142-I175 HydrophobicContact CB-CD1 3.63Å; A142-I175 VanDerWaalsContact O-CD1 3.31Å; A142-I175 WeakPolarHBondContact O-CD1 3.28Å; C144-I175 HydrophobicContact CB-CB 4.46Å; C144-I175 HydrophobicContact CB-CD1 4.09Å; C144-I175 HydrophobicContact CB-CG1 4.1Å; C144-I175 HydrophobicContact CB-CG2 3.59Å; I150-I175 HydrophobicContact CD1-CG2 3.93Å; I150-I175 HydrophobicContact CG1-CG2 4.1Å; I150-I175 HydrophobicContact CG2-CG2 4.36Å; V172-I175 HydrophobicContact CG1-CG2 4.36Å; I175-L184 HydrophobicContact CB-CD1 4.31Å; I175-A185 CarbonylContact C-O 3.59Å; I175-A185 WeakPolarHBondContact CA-O 3.22Å |
| 176 | R | 98.2 | Very high | 97.6 | Very high | 65 Ų | 65 | 40.3 Ų | 40.3 | 25% | 0.245 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 125.6 | 174.5 | -163 | 77.7 | 167.7 | 140.6 | -0.6 | 111.3 | D133 A185 L223 D224 W225 | D133-R176 IonicContact OD1-CZ 3.36Å; D133-R176 IonicContact OD1-NH1 2.98Å; D133-R176 PolarHBondContact OD1-NH1 3.21Å; D133-R176 WeakPolarHBondContact OD2-CA 3.29Å; D133-R176 WeakPolarHBondContact OD2-CD 3.37Å; D133-R176 IonicContact OD2-NH1 3.76Å; R176-A185 PolarHBondContact N-O 2.88Å; R176-A185 PolarHBondContact O-N 3.49Å; R176-L223 HydrophobicContact CB-CD2 4.41Å; R176-L223 HydrophobicContact CB-CG 3.95Å; R176-D224 IonicContact CZ-OD1 3.89Å; R176-D224 VanDerWaalsContact CZ-OD1 3.28Å; R176-D224 IonicContact NE-OD1 3.55Å; R176-D224 PolarHBondContact NE-OD1 3.07Å; R176-D224 IonicContact NH2-OD1 2.81Å; R176-D224 PolarHBondContact NH2-OD1 3.3Å; R176-W225 PolarHBondContact O-NE1 2.83Å |
| 177 | F | 98.3 | Very high | 97.6 | Very high | 9 Ų | 9 | 31.7 Ų | 31.7 | 4% | 0.039 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 144.4 | 168.7 | -82 | -77 | 0 | 0 | 0 | 110.3 | D133 W134 S135 A142 L184 T198 W201 | D133-F177 HydrophobicContact CB-CD2 4.28Å; D133-F177 WeakPolarHBondContact O-CE2 3.31Å; D133-F177 PolarHBondContact OD2-N 2.9Å; W134-F177 VanDerWaalsContact C-CD2 3.43Å; S135-F177 VanDerWaalsContact CA-CD2 3.48Å; S135-F177 VanDerWaalsContact N-CD2 3.31Å; A142-F177 HydrophobicContact CB-CD2 4.42Å; A142-F177 HydrophobicContact CB-CE2 3.5Å; A142-F177 VanDerWaalsContact CB-CE2 3.5Å; A142-F177 HydrophobicContact CB-CZ 3.9Å; F177-L184 HydrophobicContact CD1-CB 4.23Å; F177-L184 HydrophobicContact CD1-CD1 3.96Å; F177-L184 HydrophobicContact CD2-CD1 3.91Å; F177-L184 HydrophobicContact CE1-CB 4.14Å; F177-L184 HydrophobicContact CE1-CD1 4.06Å; F177-L184 HydrophobicContact CE2-CD1 4.02Å; F177-L184 HydrophobicContact CG-CD1 3.89Å; F177-L184 HydrophobicContact CZ-CD1 4.09Å; F177-T198 HydrophobicContact CD1-CG2 4.12Å; F177-T198 HydrophobicContact CE1-CG2 3.84Å; F177-W201 AromaticContact CE1-CH2 3.87Å; F177-W201 HydrophobicContact CE1-CH2 3.87Å; F177-W201 HydrophobicContact CE1-CZ3 4.13Å; F177-W201 AromaticContact CZ-CH2 3.98Å; F177-W201 HydrophobicContact CZ-CH2 3.98Å; F177-W201 HydrophobicContact CZ-CZ3 4.36Å |
| 178 | D | 97.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -74.2 | 152.8 | 170.1 | 83.5 | -57 | 0 | 0 | 0 | 110.7 | P136 I180 G181 K182 Y183 W225 | P136-D178 WeakPolarHBondContact CG-O 3.3Å; D178-I180 VanDerWaalsContact C-N 3.27Å; D178-I180 PolarHBondContact O-N 2.98Å; D178-I180 WeakPolarHBondContact OD2-CG1 3.41Å; D178-I180 PolarHBondContact OD2-N 3.39Å; D178-G181 PolarHBondContact O-N 2.87Å; D178-G181 VanDerWaalsContact O-N 3.13Å; D178-G181 VanDerWaalsContact OD1-C 3.24Å; D178-G181 WeakPolarHBondContact OD1-CA 3.14Å; D178-G181 PolarHBondContact OD1-N 2.82Å; D178-G181 PolarHBondContact OD2-N 3.38Å; D178-K182 PolarHBondContact OD1-N 2.89Å; D178-K182 PolarHBondContact OD2-N 2.6Å; D178-Y183 HydrophobicContact CB-CD2 4.45Å; D178-Y183 PolarHBondContact N-O 3.01Å; D178-Y183 PolarHBondContact OD1-N 2.74Å; D178-W225 HydrophobicContact CB-CD2 3.76Å; D178-W225 HydrophobicContact CB-CE3 4.15Å; D178-W225 HydrophobicContact CB-CG 4.2Å; D178-W225 HydrophobicContact CB-CH2 4.1Å; D178-W225 HydrophobicContact CB-CZ2 3.74Å; D178-W225 HydrophobicContact CB-CZ3 4.31Å | ||
| 179 | P | 96.1 | Very high | 97.4 | Very high | 55 Ų | 55 | 32.9 Ų | 32.9 | 36% | 0.357 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -19.9 | -175.7 | 28.1 | -36.2 | 0 | 0 | 0 | 113.7 | P136 S226 P227 | P136-P179 WeakPolarHBondContact CG-O 3.47Å; P179-S226 WeakPolarHBondContact CG-O 3.3Å; P179-P227 WeakPolarHBondContact CG-O 3.36Å |
| 180 | I | 95.8 | Very high | 97.4 | Very high | 80 Ų | 80 | 27.4 Ų | 27.4 | 41% | 0.41 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -5.7 | 175 | 72.8 | 158.8 | 0 | 0 | 0 | 112.8 | D178 K182 | D178-I180 VanDerWaalsContact C-N 3.27Å; D178-I180 PolarHBondContact O-N 2.98Å; D178-I180 WeakPolarHBondContact OD2-CG1 3.41Å; D178-I180 PolarHBondContact OD2-N 3.39Å; I180-K182 HydrophobicContact CD1-CB 4.27Å; I180-K182 HydrophobicContact CD1-CD 3.69Å; I180-K182 HydrophobicContact CD1-CG 3.93Å; I180-K182 HydrophobicContact CG1-CB 4.29Å; I180-K182 HydrophobicContact CG1-CD 4.46Å; I180-K182 HydrophobicContact CG1-CG 4.15Å; I180-K182 PolarHBondContact O-N 3.39Å |
| 181 | G | 96.7 | Very high | 97.3 | Very high | 6 Ų | 6 | 29.8 Ų | 29.8 | 6% | 0.062 | 14% | 0.142 | C | C | . | . | S | Bend | trans | 75.1 | 20.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | D178 T198 | D178-G181 PolarHBondContact O-N 2.87Å; D178-G181 VanDerWaalsContact O-N 3.13Å; D178-G181 VanDerWaalsContact OD1-C 3.24Å; D178-G181 WeakPolarHBondContact OD1-CA 3.14Å; D178-G181 PolarHBondContact OD1-N 2.82Å; D178-G181 PolarHBondContact OD2-N 3.38Å; G181-T198 PolarHBondContact O-OG1 2.87Å |
| 182 | K | 97.4 | Very high | 97.3 | Very high | 122 Ų | 122 | 28 Ų | 28 | 53% | 0.53 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -97.4 | -18.7 | 179.1 | -68.7 | -167.5 | -176 | 179.7 | 0 | 113.6 | D178 I180 T198 | D178-K182 PolarHBondContact OD1-N 2.89Å; D178-K182 PolarHBondContact OD2-N 2.6Å; I180-K182 HydrophobicContact CD1-CB 4.27Å; I180-K182 HydrophobicContact CD1-CD 3.69Å; I180-K182 HydrophobicContact CD1-CG 3.93Å; I180-K182 HydrophobicContact CG1-CB 4.29Å; I180-K182 HydrophobicContact CG1-CD 4.46Å; I180-K182 HydrophobicContact CG1-CG 4.15Å; I180-K182 PolarHBondContact O-N 3.39Å; K182-T198 VanDerWaalsContact C-OG1 3.26Å; K182-T198 VanDerWaalsContact CA-OG1 3.26Å; K182-T198 WeakPolarHBondContact CA-OG1 3.48Å; K182-T198 PolarHBondContact O-N 2.82Å; K182-T198 PolarHBondContact O-OG1 2.7Å |
| 183 | Y | 98.3 | Very high | 97.2 | Very high | 52 Ų | 52 | 28 Ų | 28 | 20% | 0.204 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 141.6 | -170.4 | -50.4 | -73.7 | 0 | 0 | 0 | 111.9 | D178 I195 W196 L204 R250 W253 | D178-Y183 HydrophobicContact CB-CD2 4.45Å; D178-Y183 PolarHBondContact N-O 3.01Å; D178-Y183 PolarHBondContact OD1-N 2.74Å; Y183-I195 HydrophobicContact CD1-CG2 3.89Å; Y183-I195 HydrophobicContact CG-CG2 4.33Å; Y183-W196 CarbonylContact C-O 3.58Å; Y183-W196 VanDerWaalsContact CA-O 3.28Å; Y183-W196 WeakPolarHBondContact CA-O 3.46Å; Y183-L204 HydrophobicContact CD1-CD1 3.7Å; Y183-L204 HydrophobicContact CE1-CD1 3.53Å; Y183-R250 HydrophobicContact CD2-CG 4.29Å; Y183-R250 HydrophobicContact CE2-CG 4.06Å; Y183-W253 HydrophobicContact CD1-CH2 4.03Å; Y183-W253 AromaticContact CD1-CZ2 3.9Å; Y183-W253 HydrophobicContact CD1-CZ2 3.9Å; Y183-W253 HydrophobicContact CD2-CH2 4.29Å; Y183-W253 HydrophobicContact CE1-CH2 4.35Å; Y183-W253 AromaticContact CE1-CZ2 3.85Å; Y183-W253 HydrophobicContact CE1-CZ2 3.85Å; Y183-W253 AromaticContact CG-CH2 3.98Å; Y183-W253 HydrophobicContact CG-CH2 3.98Å; Y183-W253 HydrophobicContact CG-CZ2 4.3Å |
| 184 | L | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 126.8 | 162 | 179 | 69.3 | 0 | 0 | 0 | 107.7 | A142 I150 I152 L165 I175 F177 W196 W201 | A142-L184 HydrophobicContact CB-CD1 4.15Å; A142-L184 HydrophobicContact CB-CD2 4.04Å; I150-L184 HydrophobicContact CG2-CD2 3.94Å; I152-L184 HydrophobicContact CD1-CD2 3.75Å; L165-L184 HydrophobicContact CD1-CD2 3.93Å; I175-L184 HydrophobicContact CB-CD1 4.31Å; F177-L184 HydrophobicContact CD1-CB 4.23Å; F177-L184 HydrophobicContact CD1-CD1 3.96Å; F177-L184 HydrophobicContact CD2-CD1 3.91Å; F177-L184 HydrophobicContact CE1-CB 4.14Å; F177-L184 HydrophobicContact CE1-CD1 4.06Å; F177-L184 HydrophobicContact CE2-CD1 4.02Å; F177-L184 HydrophobicContact CG-CD1 3.89Å; F177-L184 HydrophobicContact CZ-CD1 4.09Å; L184-W196 HydrophobicContact CB-CB 4.3Å; L184-W196 PolarHBondContact N-O 2.94Å; L184-W196 VanDerWaalsContact O-CD1 3.32Å; L184-W196 PolarHBondContact O-N 3.07Å; L184-W201 HydrophobicContact CB-CZ3 4.5Å; L184-W201 HydrophobicContact CD2-CZ3 4.45Å |
| 185 | A | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 145 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110 | I175 R176 R194 I195 L223 W225 L232 | I175-A185 CarbonylContact C-O 3.59Å; I175-A185 WeakPolarHBondContact CA-O 3.22Å; R176-A185 PolarHBondContact N-O 2.88Å; R176-A185 PolarHBondContact O-N 3.49Å; A185-R194 CarbonylContact C-O 3.56Å; A185-R194 WeakPolarHBondContact CA-O 3.33Å; A185-I195 HydrophobicContact CB-CD1 3.98Å; A185-L223 HydrophobicContact CB-CD1 3.5Å; A185-L223 VanDerWaalsContact CB-CD1 3.5Å; A185-W225 HydrophobicContact CB-CZ2 4.06Å; A185-L232 HydrophobicContact CB-CD1 4.03Å; A185-L232 HydrophobicContact CB-CD2 3.48Å; A185-L232 VanDerWaalsContact CB-CD2 3.48Å; A185-L232 HydrophobicContact CB-CG 4.41Å |
| 186 | S | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 144.7 | 176.8 | 54.7 | 0 | 0 | 0 | 0 | 111.2 | I150 H168 G174 L193 R194 W196 | I150-S186 VanDerWaalsContact CD1-CB 3.4Å; H168-S186 PolarHBondContact NE2-OG 3.5Å; H168-S186 VanDerWaalsContact NE2-OG 3.09Å; G174-S186 CarbonylContact O-C 3.58Å; G174-S186 VanDerWaalsContact O-CA 3.26Å; G174-S186 WeakPolarHBondContact O-CA 3.48Å; S186-L193 CarbonylContact O-C 3.4Å; S186-L193 VanDerWaalsContact O-CA 3.25Å; S186-L193 WeakPolarHBondContact O-CA 3.13Å; S186-R194 PolarHBondContact N-O 2.81Å; S186-R194 PolarHBondContact O-N 2.75Å; S186-R194 WeakPolarHBondContact OG-CB 3.1Å; S186-R194 PolarHBondContact OG-O 3.29Å; S186-W196 PolarHBondContact OG-NE1 3.09Å |
| 187 | Q | 97.7 | Very high | 97.4 | Very high | 3 Ų | 3 | 25.1 Ų | 25.1 | 1% | 0.014 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 132 | 179.2 | -159.3 | -176.4 | 9.9 | 0 | 0 | 110.3 | K173 G174 T192 L193 L221 L223 A235 H236 | K173-Q187 PolarHBondContact N-O 3.22Å; G174-Q187 PolarHBondContact N-O 2.85Å; G174-Q187 VanDerWaalsContact N-O 3.16Å; G174-Q187 PolarHBondContact O-N 3.33Å; Q187-T192 WeakPolarHBondContact CA-O 3.22Å; Q187-L193 HydrophobicContact CG-CB 4.48Å; Q187-L221 HydrophobicContact CB-CB 4.18Å; Q187-L221 HydrophobicContact CB-CD1 4.06Å; Q187-L221 HydrophobicContact CG-CB 4.43Å; Q187-L221 HydrophobicContact CG-CD1 3.65Å; Q187-L223 HydrophobicContact CB-CD2 4.43Å; Q187-A235 VanDerWaalsContact OE1-N 3.14Å; Q187-H236 PolarHBondContact NE2-O 3.29Å |
| 188 | G | 96.6 | Very high | 97.4 | Very high | 5 Ų | 5 | 25.5 Ų | 25.5 | 5% | 0.052 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 171.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | I171 D190 K191 T192 | I171-G188 CarbonylContact O-C 3.51Å; I171-G188 WeakPolarHBondContact O-CA 3.47Å; G188-D190 PolarHBondContact O-N 2.89Å; G188-K191 PolarHBondContact O-N 2.82Å; G188-T192 PolarHBondContact N-O 2.95Å; G188-T192 VanDerWaalsContact N-O 3.14Å |
| 189 | E | 95.5 | Very high | 97.4 | Very high | 67 Ų | 67 | 30.6 Ų | 30.6 | 31% | 0.313 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -13.6 | 171.6 | -176.2 | 158.1 | -168.2 | 0 | 0 | 112.9 | I171 K173 K191 | I171-E189 HydrophobicContact CB-CB 4.15Å; I171-E189 PolarHBondContact O-N 2.91Å; K173-E189 HydrophobicContact CD-CB 4.38Å; K173-E189 WeakPolarHBondContact CE-OE2 3.39Å; K173-E189 IonicContact NZ-OE1 2.7Å; K173-E189 IonicContact NZ-OE2 3.96Å; K173-E189 PolarHBondContact NZ-OE2 2.84Å; E189-K191 PolarHBondContact O-N 2.91Å |
| 190 | D | 95.4 | Very high | 97.5 | Very high | 19 Ų | 19 | 32.4 Ų | 32.4 | 10% | 0.102 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | 9.1 | 170.3 | 70.6 | -9.1 | 0 | 0 | 0 | 113.4 | H168 E169 G188 T192 R194 | H168-D190 VanDerWaalsContact CA-OD2 3.24Å; H168-D190 WeakPolarHBondContact CA-OD2 3.14Å; H168-D190 IonicContact CE1-OD1 3.54Å; H168-D190 IonicContact CE1-OD2 3.67Å; H168-D190 IonicContact CG-OD2 3.07Å; H168-D190 VanDerWaalsContact ND1-CG 3.25Å; H168-D190 IonicContact ND1-OD1 3.46Å; H168-D190 PolarHBondContact ND1-OD1 2.91Å; H168-D190 IonicContact ND1-OD2 2.76Å; H168-D190 PolarHBondContact ND1-OD2 3.16Å; E169-D190 HydrophobicContact CB-CB 4Å; E169-D190 PolarHBondContact N-OD2 2.88Å; G188-D190 PolarHBondContact O-N 2.89Å; D190-T192 VanDerWaalsContact C-N 3.26Å; D190-T192 WeakPolarHBondContact O-CG2 3.31Å; D190-T192 PolarHBondContact O-N 2.87Å; D190-T192 WeakPolarHBondContact OD1-CB 3.26Å; D190-T192 PolarHBondContact OD1-N 3.24Å; D190-T192 PolarHBondContact OD1-OG1 2.69Å; D190-T192 PolarHBondContact OD2-OG1 3.13Å; D190-T192 VanDerWaalsContact OD2-OG1 3.13Å; D190-R194 IonicContact OD2-NE 3.28Å; D190-R194 IonicContact OD2-NH2 2.68Å |
| 191 | K | 95.5 | Very high | 97.6 | Very high | 84 Ų | 84 | 30.2 Ų | 30.2 | 37% | 0.365 | 15% | 0.154 | S | C | . | . | S | Bend | trans | 58.6 | 39.4 | 179.2 | -55.8 | 178.1 | 174.3 | -175.8 | 0 | 111.9 | G188 E189 F211 E212 T214 | G188-K191 PolarHBondContact O-N 2.82Å; E189-K191 PolarHBondContact O-N 2.91Å; K191-F211 HydrophobicContact CB-CB 4.07Å; K191-F211 WeakPolarHBondContact O-CB 3.27Å; K191-E212 WeakPolarHBondContact CD-O 3.22Å; K191-E212 PolarHBondContact NZ-O 3.46Å; K191-T214 WeakPolarHBondContact CE-O 3.24Å |
| 192 | T | 96.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -126.2 | 147.3 | 174.9 | 73.5 | 0 | 0 | 0 | 0 | 111.9 | H168 Q187 G188 D190 R194 T206 I207 R208 | H168-T192 PolarHBondContact CE1-OG1 3.16Å; H168-T192 VanDerWaalsContact CE1-OG1 3.23Å; H168-T192 PolarHBondContact ND1-OG1 2.53Å; Q187-T192 WeakPolarHBondContact CA-O 3.22Å; G188-T192 PolarHBondContact N-O 2.95Å; G188-T192 VanDerWaalsContact N-O 3.14Å; D190-T192 VanDerWaalsContact C-N 3.26Å; D190-T192 WeakPolarHBondContact O-CG2 3.31Å; D190-T192 PolarHBondContact O-N 2.87Å; D190-T192 WeakPolarHBondContact OD1-CB 3.26Å; D190-T192 PolarHBondContact OD1-N 3.24Å; D190-T192 PolarHBondContact OD1-OG1 2.69Å; D190-T192 PolarHBondContact OD2-OG1 3.13Å; D190-T192 VanDerWaalsContact OD2-OG1 3.13Å; T192-R194 PolarHBondContact OG1-NE 3.33Å; T192-T206 HydrophobicContact CG2-CG2 3.95Å; T192-I207 WeakPolarHBondContact CA-O 3.32Å; T192-R208 HydrophobicContact CG2-CG 3.93Å | ||
| 193 | L | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 124.2 | 156.3 | -172 | 153.8 | 0 | 0 | 0 | 107.5 | S186 Q187 I195 I207 F211 L223 L232 I248 | S186-L193 CarbonylContact O-C 3.4Å; S186-L193 VanDerWaalsContact O-CA 3.25Å; S186-L193 WeakPolarHBondContact O-CA 3.13Å; Q187-L193 HydrophobicContact CG-CB 4.48Å; L193-I195 HydrophobicContact CD2-CD1 3.57Å; L193-I195 HydrophobicContact CD2-CG1 4.26Å; L193-I207 HydrophobicContact CB-CB 4.42Å; L193-I207 HydrophobicContact CD2-CD1 4.3Å; L193-I207 PolarHBondContact N-O 3.23Å; L193-I207 PolarHBondContact O-N 2.77Å; L193-F211 HydrophobicContact CB-CD2 4.42Å; L193-F211 HydrophobicContact CB-CE2 3.45Å; L193-F211 VanDerWaalsContact CB-CE2 3.45Å; L193-F211 HydrophobicContact CB-CZ 3.62Å; L193-F211 HydrophobicContact CD1-CZ 4.06Å; L193-L223 HydrophobicContact CD1-CD1 4.24Å; L193-L232 HydrophobicContact CD1-CD2 3.87Å; L193-L232 HydrophobicContact CD2-CD2 3.71Å; L193-L232 HydrophobicContact CG-CD2 4.34Å; L193-I248 HydrophobicContact CD1-CD1 3.94Å |
| 194 | R | 98.5 | Very high | 97.7 | Very high | 11 Ų | 11 | 31.9 Ų | 31.9 | 4% | 0.042 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 141.4 | -178.1 | -67 | -179.2 | -173.9 | -127 | 3.7 | 111.1 | G167 A185 S186 D190 T192 W196 L203 E205 T206 | G167-R194 VanDerWaalsContact C-NH1 3.3Å; G167-R194 PolarHBondContact O-NH1 2.95Å; G167-R194 PolarHBondContact O-NH2 3.3Å; A185-R194 CarbonylContact C-O 3.56Å; A185-R194 WeakPolarHBondContact CA-O 3.33Å; S186-R194 PolarHBondContact N-O 2.81Å; S186-R194 PolarHBondContact O-N 2.75Å; S186-R194 WeakPolarHBondContact OG-CB 3.1Å; S186-R194 PolarHBondContact OG-O 3.29Å; D190-R194 IonicContact OD2-NE 3.28Å; D190-R194 IonicContact OD2-NH2 2.68Å; T192-R194 PolarHBondContact OG1-NE 3.33Å; R194-W196 HydrophobicContact CB-CZ2 4.17Å; R194-L203 HydrophobicContact CB-CD1 3.7Å; R194-L203 HydrophobicContact CG-CD1 3.97Å; R194-E205 WeakPolarHBondContact CA-O 3.44Å; R194-T206 HydrophobicContact CG-CG2 4.14Å |
| 195 | I | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 127.7 | 175.5 | -53.5 | -59.6 | 0 | 0 | 0 | 109 | Y183 A185 L193 L204 E205 L232 W253 | Y183-I195 HydrophobicContact CD1-CG2 3.89Å; Y183-I195 HydrophobicContact CG-CG2 4.33Å; A185-I195 HydrophobicContact CB-CD1 3.98Å; L193-I195 HydrophobicContact CD2-CD1 3.57Å; L193-I195 HydrophobicContact CD2-CG1 4.26Å; I195-L204 HydrophobicContact CG2-CB 4.4Å; I195-L204 HydrophobicContact CG2-CD1 4.36Å; I195-L204 PolarHBondContact O-N 3.17Å; I195-E205 HydrophobicContact CB-CB 4.14Å; I195-E205 HydrophobicContact CG1-CB 4.16Å; I195-E205 PolarHBondContact N-O 3.17Å; I195-E205 PolarHBondContact O-N 3.36Å; I195-L232 HydrophobicContact CD1-CD2 3.99Å; I195-W253 HydrophobicContact CB-CH2 4.3Å; I195-W253 HydrophobicContact CB-CZ2 4.41Å; I195-W253 HydrophobicContact CB-CZ3 4.42Å; I195-W253 HydrophobicContact CD1-CE3 3.96Å; I195-W253 HydrophobicContact CD1-CH2 4.14Å; I195-W253 HydrophobicContact CD1-CZ3 3.57Å; I195-W253 HydrophobicContact CG1-CD2 4.04Å; I195-W253 HydrophobicContact CG1-CE3 3.67Å; I195-W253 HydrophobicContact CG1-CH2 4.01Å; I195-W253 HydrophobicContact CG1-CZ2 4.39Å; I195-W253 HydrophobicContact CG1-CZ3 3.63Å; I195-W253 HydrophobicContact CG2-CH2 3.43Å; I195-W253 VanDerWaalsContact CG2-CH2 3.43Å; I195-W253 HydrophobicContact CG2-CZ2 3.55Å; I195-W253 HydrophobicContact CG2-CZ3 3.98Å |
| 196 | W | 98.6 | Very high | 97.6 | Very high | 8 Ų | 8 | 37.2 Ų | 37.2 | 3% | 0.03 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 137.5 | 179.2 | -48.3 | 86.5 | 0 | 0 | 0 | 110.2 | I150 L165 R166 Y183 L184 S186 R194 T202 L203 | I150-W196 HydrophobicContact CD1-CZ2 4.47Å; L165-W196 HydrophobicContact CB-CD2 4.3Å; L165-W196 HydrophobicContact CB-CE3 4.08Å; L165-W196 HydrophobicContact CB-CH2 4.04Å; L165-W196 HydrophobicContact CB-CZ2 4.24Å; L165-W196 HydrophobicContact CB-CZ3 3.94Å; L165-W196 HydrophobicContact CD1-CB 4.1Å; L165-W196 HydrophobicContact CD1-CD2 3.66Å; L165-W196 HydrophobicContact CD1-CE3 4.01Å; L165-W196 HydrophobicContact CD1-CG 3.69Å; L165-W196 HydrophobicContact CG-CE3 4.46Å; R166-W196 WeakPolarHBondContact O-CH2 3.41Å; Y183-W196 CarbonylContact C-O 3.58Å; Y183-W196 VanDerWaalsContact CA-O 3.28Å; Y183-W196 WeakPolarHBondContact CA-O 3.46Å; L184-W196 HydrophobicContact CB-CB 4.3Å; L184-W196 PolarHBondContact N-O 2.94Å; L184-W196 VanDerWaalsContact O-CD1 3.32Å; L184-W196 PolarHBondContact O-N 3.07Å; S186-W196 PolarHBondContact OG-NE1 3.09Å; R194-W196 HydrophobicContact CB-CZ2 4.17Å; W196-T202 CarbonylContact C-O 3.53Å; W196-T202 VanDerWaalsContact CA-O 3.27Å; W196-T202 WeakPolarHBondContact CA-O 3.37Å; W196-L203 HydrophobicContact CD2-CD1 4.1Å; W196-L203 HydrophobicContact CE3-CB 3.87Å; W196-L203 HydrophobicContact CE3-CD1 4.1Å; W196-L203 HydrophobicContact CH2-CB 4.37Å; W196-L203 HydrophobicContact CH2-CD1 4.07Å; W196-L203 HydrophobicContact CZ2-CD1 4.07Å; W196-L203 HydrophobicContact CZ3-CB 3.71Å; W196-L203 HydrophobicContact CZ3-CD1 4.1Å; W196-L203 HydrophobicContact CZ3-CG 4.41Å |
| 197 | A | 98.3 | Very high | 97.5 | Very high | 6 Ų | 6 | 37.4 Ų | 37.4 | 5% | 0.05 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 131.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110 | S199 W201 T202 L204 | A197-S199 VanDerWaalsContact C-N 3.28Å; A197-S199 PolarHBondContact O-N 2.82Å; A197-W201 WeakPolarHBondContact O-CA 3.32Å; A197-W201 PolarHBondContact O-N 3.26Å; A197-T202 PolarHBondContact N-O 2.81Å; A197-L204 HydrophobicContact CB-CD1 3.84Å; A197-L204 HydrophobicContact CB-CD2 4.07Å; A197-L204 HydrophobicContact CB-CG 3.89Å |
| 198 | T | 98 | Very high | 97.5 | Very high | 18 Ų | 18 | 42.1 Ų | 42.1 | 11% | 0.11 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -11.9 | 176.9 | 60.1 | 0 | 0 | 0 | 0 | 113.3 | F177 G181 K182 W201 | F177-T198 HydrophobicContact CD1-CG2 4.12Å; F177-T198 HydrophobicContact CE1-CG2 3.84Å; G181-T198 PolarHBondContact O-OG1 2.87Å; K182-T198 VanDerWaalsContact C-OG1 3.26Å; K182-T198 VanDerWaalsContact CA-OG1 3.26Å; K182-T198 WeakPolarHBondContact CA-OG1 3.48Å; K182-T198 PolarHBondContact O-N 2.82Å; K182-T198 PolarHBondContact O-OG1 2.7Å; T198-W201 HydrophobicContact CG2-CH2 4.1Å; T198-W201 HydrophobicContact CG2-CZ3 4.03Å |
| 199 | S | 97.6 | Very high | 97.3 | Very high | 106 Ų | 106 | 48.7 Ų | 48.7 | 74% | 0.741 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70 | -38.5 | -179.7 | 46.4 | 0 | 0 | 0 | 0 | 113.1 | A197 | A197-S199 VanDerWaalsContact C-N 3.28Å; A197-S199 PolarHBondContact O-N 2.82Å |
| 200 | D | 97.9 | Very high | 97.2 | Very high | 93 Ų | 93 | 45.9 Ų | 45.9 | 50% | 0.497 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -143.5 | 4.3 | -175.2 | 63.2 | 3.8 | 0 | 0 | 0 | 113.3 | T202 | D200-T202 HydrophobicContact CB-CG2 4.39Å; D200-T202 VanDerWaalsContact CG-CG2 3.43Å; D200-T202 PolarHBondContact O-N 3.12Å; D200-T202 WeakPolarHBondContact OD1-CB 3.47Å; D200-T202 WeakPolarHBondContact OD1-CG2 3.19Å; D200-T202 PolarHBondContact OD1-N 3.13Å; D200-T202 PolarHBondContact OD1-OG1 2.9Å; D200-T202 WeakPolarHBondContact OD2-CG2 3.38Å; D200-T202 PolarHBondContact OD2-OG1 3.11Å |
| 201 | W | 98.3 | Very high | 97.2 | Very high | 34 Ų | 34 | 45.1 Ų | 45.1 | 13% | 0.129 | 23% | 0.229 | C | C | . | . | trans | 64 | 21.4 | 178.8 | -57.5 | 110.5 | 0 | 0 | 0 | 114.9 | Y140 I152 A163 L165 F177 L184 A197 T198 | Y140-W201 HydrophobicContact CD1-CZ2 4.08Å; Y140-W201 HydrophobicContact CD2-CH2 4.03Å; Y140-W201 AromaticContact CD2-CZ2 3.72Å; Y140-W201 HydrophobicContact CD2-CZ2 3.72Å; Y140-W201 HydrophobicContact CE1-CZ2 4.17Å; Y140-W201 HydrophobicContact CE2-CH2 4.49Å; Y140-W201 AromaticContact CE2-CZ2 3.81Å; Y140-W201 HydrophobicContact CE2-CZ2 3.81Å; Y140-W201 HydrophobicContact CG-CH2 4.2Å; Y140-W201 AromaticContact CG-CZ2 3.85Å; Y140-W201 HydrophobicContact CG-CZ2 3.85Å; I152-W201 HydrophobicContact CB-CH2 4.4Å; I152-W201 HydrophobicContact CB-CZ2 4.28Å; I152-W201 HydrophobicContact CD1-CE3 4.01Å; I152-W201 HydrophobicContact CD1-CH2 3.97Å; I152-W201 HydrophobicContact CD1-CZ3 3.61Å; I152-W201 HydrophobicContact CG1-CD2 3.92Å; I152-W201 HydrophobicContact CG1-CE3 3.73Å; I152-W201 HydrophobicContact CG1-CH2 3.97Å; I152-W201 HydrophobicContact CG1-CZ2 4.18Å; I152-W201 HydrophobicContact CG1-CZ3 3.74Å; I152-W201 HydrophobicContact CG2-CH2 3.59Å; I152-W201 HydrophobicContact CG2-CZ2 3.37Å; I152-W201 HydrophobicContact CG2-CZ3 4.27Å; A163-W201 HydrophobicContact CB-CB 4.03Å; A163-W201 HydrophobicContact CB-CD2 4.31Å; A163-W201 HydrophobicContact CB-CG 3.67Å; L165-W201 HydrophobicContact CD1-CE3 4.31Å; L165-W201 HydrophobicContact CD2-CB 3.56Å; L165-W201 HydrophobicContact CD2-CD2 4.36Å; L165-W201 HydrophobicContact CD2-CE3 4.21Å; L165-W201 HydrophobicContact CD2-CG 4.13Å; F177-W201 AromaticContact CE1-CH2 3.87Å; F177-W201 HydrophobicContact CE1-CH2 3.87Å; F177-W201 HydrophobicContact CE1-CZ3 4.13Å; F177-W201 AromaticContact CZ-CH2 3.98Å; F177-W201 HydrophobicContact CZ-CH2 3.98Å; F177-W201 HydrophobicContact CZ-CZ3 4.36Å; L184-W201 HydrophobicContact CB-CZ3 4.5Å; L184-W201 HydrophobicContact CD2-CZ3 4.45Å; A197-W201 WeakPolarHBondContact O-CA 3.32Å; A197-W201 PolarHBondContact O-N 3.26Å; T198-W201 HydrophobicContact CG2-CH2 4.1Å; T198-W201 HydrophobicContact CG2-CZ3 4.03Å | ||
| 202 | T | 98.3 | Very high | 97 | Very high | 63 Ų | 63 | 46.5 Ų | 46.5 | 39% | 0.387 | 24% | 0.237 | S | C | . | . | trans | -75.4 | 150.4 | 174.4 | 57.8 | 0 | 0 | 0 | 0 | 112.2 | W196 A197 D200 | W196-T202 CarbonylContact C-O 3.53Å; W196-T202 VanDerWaalsContact CA-O 3.27Å; W196-T202 WeakPolarHBondContact CA-O 3.37Å; A197-T202 PolarHBondContact N-O 2.81Å; D200-T202 HydrophobicContact CB-CG2 4.39Å; D200-T202 VanDerWaalsContact CG-CG2 3.43Å; D200-T202 PolarHBondContact O-N 3.12Å; D200-T202 WeakPolarHBondContact OD1-CB 3.47Å; D200-T202 WeakPolarHBondContact OD1-CG2 3.19Å; D200-T202 PolarHBondContact OD1-N 3.13Å; D200-T202 PolarHBondContact OD1-OG1 2.9Å; D200-T202 WeakPolarHBondContact OD2-CG2 3.38Å; D200-T202 PolarHBondContact OD2-OG1 3.11Å | ||
| 203 | L | 98.5 | Very high | 96.6 | Very high | 70 Ų | 70 | 54.5 Ų | 54.5 | 37% | 0.366 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 119 | 172.9 | 179.7 | 65.9 | 0 | 0 | 0 | 109.2 | R194 W196 | R194-L203 HydrophobicContact CB-CD1 3.7Å; R194-L203 HydrophobicContact CG-CD1 3.97Å; W196-L203 HydrophobicContact CD2-CD1 4.1Å; W196-L203 HydrophobicContact CE3-CB 3.87Å; W196-L203 HydrophobicContact CE3-CD1 4.1Å; W196-L203 HydrophobicContact CH2-CB 4.37Å; W196-L203 HydrophobicContact CH2-CD1 4.07Å; W196-L203 HydrophobicContact CZ2-CD1 4.07Å; W196-L203 HydrophobicContact CZ3-CB 3.71Å; W196-L203 HydrophobicContact CZ3-CD1 4.1Å; W196-L203 HydrophobicContact CZ3-CG 4.41Å |
| 204 | L | 97.7 | Very high | 96.2 | Very high | 82 Ų | 82 | 55.3 Ų | 55.3 | 43% | 0.429 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | -43.6 | 179.3 | -65.6 | 179.3 | 0 | 0 | 0 | 112.5 | Y183 I195 A197 | Y183-L204 HydrophobicContact CD1-CD1 3.7Å; Y183-L204 HydrophobicContact CE1-CD1 3.53Å; I195-L204 HydrophobicContact CG2-CB 4.4Å; I195-L204 HydrophobicContact CG2-CD1 4.36Å; I195-L204 PolarHBondContact O-N 3.17Å; A197-L204 HydrophobicContact CB-CD1 3.84Å; A197-L204 HydrophobicContact CB-CD2 4.07Å; A197-L204 HydrophobicContact CB-CG 3.89Å |
| 205 | E | 97.8 | Very high | 95.3 | Very high | 76 Ų | 76 | 57.7 Ų | 57.7 | 36% | 0.355 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 147.2 | -171.6 | -173.8 | 52.7 | -123.5 | 0 | 0 | 111.5 | R194 I195 I207 W253 | R194-E205 WeakPolarHBondContact CA-O 3.44Å; I195-E205 HydrophobicContact CB-CB 4.14Å; I195-E205 HydrophobicContact CG1-CB 4.16Å; I195-E205 PolarHBondContact N-O 3.17Å; I195-E205 PolarHBondContact O-N 3.36Å; E205-I207 HydrophobicContact CG-CG1 4Å; E205-W253 HydrophobicContact CB-CB 4.48Å; E205-W253 HydrophobicContact CB-CG 4.06Å; E205-W253 HydrophobicContact CG-CB 3.74Å; E205-W253 HydrophobicContact CG-CG 3.85Å |
| 206 | T | 98 | Very high | 94.2 | Very high | 37 Ų | 37 | 59.3 Ų | 59.3 | 23% | 0.227 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 103 | 175.1 | -60.8 | 0 | 0 | 0 | 0 | 110.4 | T192 R194 R208 | T192-T206 HydrophobicContact CG2-CG2 3.95Å; R194-T206 HydrophobicContact CG-CG2 4.14Å; T206-R208 HydrophobicContact CG2-CG 4.02Å |
| 207 | I | 97.1 | Very high | 93.4 | Very high | 4 Ų | 4 | 63.2 Ų | 63.2 | 2% | 0.021 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 120.5 | -179.6 | -55.1 | 175.5 | 0 | 0 | 0 | 109 | T192 L193 E205 P210 F211 I248 W253 Y255 | T192-I207 WeakPolarHBondContact CA-O 3.32Å; L193-I207 HydrophobicContact CB-CB 4.42Å; L193-I207 HydrophobicContact CD2-CD1 4.3Å; L193-I207 PolarHBondContact N-O 3.23Å; L193-I207 PolarHBondContact O-N 2.77Å; E205-I207 HydrophobicContact CG-CG1 4Å; I207-P210 HydrophobicContact CG2-CG 4.03Å; I207-F211 HydrophobicContact CB-CE2 4.18Å; I207-F211 HydrophobicContact CG2-CE2 3.83Å; I207-F211 VanDerWaalsContact O-CD2 3.3Å; I207-F211 WeakPolarHBondContact O-CD2 3.27Å; I207-F211 WeakPolarHBondContact O-CE2 3.08Å; I207-I248 HydrophobicContact CD1-CB 4.35Å; I207-I248 HydrophobicContact CD1-CG1 3.79Å; I207-I248 HydrophobicContact CD1-CG2 3.55Å; I207-W253 HydrophobicContact CD1-CB 4.4Å; I207-Y255 HydrophobicContact CD1-CD1 4.37Å; I207-Y255 HydrophobicContact CG2-CD1 3.66Å; I207-Y255 HydrophobicContact CG2-CE1 3.71Å; I207-Y255 HydrophobicContact CG2-CG 4.36Å |
| 208 | R | 96.1 | Very high | 92.8 | Very high | 101 Ų | 101 | 63.5 Ų | 63.5 | 38% | 0.381 | 34% | 0.342 | S | S | . | . | trans | -115.3 | -48 | -177.2 | -58.3 | -168.4 | 174.3 | -109.9 | 9.2 | 113.8 | E169 T192 T206 P210 F211 E212 | E169-R208 IonicContact OE1-NH2 2.71Å; E169-R208 PolarHBondContact OE1-NH2 2.9Å; T192-R208 HydrophobicContact CG2-CG 3.93Å; T206-R208 HydrophobicContact CG2-CG 4.02Å; R208-P210 VanDerWaalsContact C-CD 3.43Å; R208-P210 VanDerWaalsContact O-N 3.11Å; R208-F211 WeakPolarHBondContact O-CA 3.35Å; R208-F211 PolarHBondContact O-N 3.23Å; R208-E212 PolarHBondContact O-N 3.06Å | ||
| 209 | K | 94.1 | Very high | 92.2 | Very high | 143 Ų | 143 | 70.4 Ų | 70.4 | 62% | 0.622 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -46.9 | -45.2 | -168.8 | -172.9 | -179.9 | -179.8 | -176.8 | 0 | 115 | F211 Y255 | K209-F211 PolarHBondContact O-N 2.72Å; K209-Y255 HydrophobicContact CB-CE2 4.35Å; K209-Y255 HydrophobicContact CD-CE2 4.33Å |
| 210 | P | 92.9 | Very high | 91.8 | Very high | 8 Ų | 8 | 67.2 Ų | 67.2 | 5% | 0.052 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -70.8 | -14.1 | -179.1 | -16.4 | 31.9 | 0 | 0 | 0 | 114.9 | I207 R208 A237 M238 K246 Y255 | I207-P210 HydrophobicContact CG2-CG 4.03Å; R208-P210 VanDerWaalsContact C-CD 3.43Å; R208-P210 VanDerWaalsContact O-N 3.11Å; P210-A237 HydrophobicContact CB-CB 4.19Å; P210-A237 WeakPolarHBondContact O-CB 3.18Å; P210-M238 PolarHBondContact O-N 3.13Å; P210-K246 HydrophobicContact CB-CD 3.94Å; P210-K246 HydrophobicContact CB-CG 3.63Å; P210-K246 HydrophobicContact CG-CD 4.3Å; P210-K246 HydrophobicContact CG-CG 4.31Å; P210-Y255 HydrophobicContact CG-CD1 4.42Å; P210-Y255 HydrophobicContact CG-CD2 3.42Å; P210-Y255 VanDerWaalsContact CG-CD2 3.42Å; P210-Y255 HydrophobicContact CG-CE2 3.62Å; P210-Y255 HydrophobicContact CG-CG 3.86Å |
| 211 | F | 93.9 | Very high | 91.6 | Very high | 3 Ų | 3 | 63 Ų | 63 | 1% | 0.013 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -108.1 | -8.8 | -172.6 | -47.9 | -66.5 | 0 | 0 | 0 | 113 | K191 L193 I207 R208 K209 K213 T214 H236 A237 | K191-F211 HydrophobicContact CB-CB 4.07Å; K191-F211 WeakPolarHBondContact O-CB 3.27Å; L193-F211 HydrophobicContact CB-CD2 4.42Å; L193-F211 HydrophobicContact CB-CE2 3.45Å; L193-F211 VanDerWaalsContact CB-CE2 3.45Å; L193-F211 HydrophobicContact CB-CZ 3.62Å; L193-F211 HydrophobicContact CD1-CZ 4.06Å; I207-F211 HydrophobicContact CB-CE2 4.18Å; I207-F211 HydrophobicContact CG2-CE2 3.83Å; I207-F211 VanDerWaalsContact O-CD2 3.3Å; I207-F211 WeakPolarHBondContact O-CD2 3.27Å; I207-F211 WeakPolarHBondContact O-CE2 3.08Å; R208-F211 WeakPolarHBondContact O-CA 3.35Å; R208-F211 PolarHBondContact O-N 3.23Å; K209-F211 PolarHBondContact O-N 2.72Å; F211-K213 PolarHBondContact O-N 3.45Å; F211-K213 VanDerWaalsContact O-N 3.1Å; F211-T214 HydrophobicContact CB-CG2 4.32Å; F211-T214 WeakPolarHBondContact O-CB 3.35Å; F211-T214 WeakPolarHBondContact O-CG2 3.36Å; F211-T214 PolarHBondContact O-N 3.21Å; F211-T214 PolarHBondContact O-OG1 2.75Å; F211-H236 WeakPolarHBondContact CD1-O 3.47Å; F211-H236 WeakPolarHBondContact CE1-O 3.42Å; F211-A237 HydrophobicContact CD1-CB 3.88Å; F211-A237 HydrophobicContact CE1-CB 3.81Å |
| 212 | E | 91.5 | Very high | 91.4 | Very high | 114 Ų | 114 | 62.5 Ų | 62.5 | 53% | 0.533 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -36.8 | -175.2 | -72.1 | 174.8 | -173.4 | 0 | 0 | 113.7 | K191 R208 | K191-E212 WeakPolarHBondContact CD-O 3.22Å; K191-E212 PolarHBondContact NZ-O 3.46Å; R208-E212 PolarHBondContact O-N 3.06Å |
| 213 | K | 89.9 | Confident | 91.3 | Very high | 167 Ų | 167 | 59.7 Ų | 59.7 | 73% | 0.726 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | 2.9 | -177.6 | -62.1 | -174.5 | -179 | -179.5 | 0 | 113.9 | F211 M238 | F211-K213 PolarHBondContact O-N 3.45Å; F211-K213 VanDerWaalsContact O-N 3.1Å; K213-M238 HydrophobicContact CB-CB 3.98Å; K213-M238 HydrophobicContact CB-CG 4.11Å |
| 214 | T | 87.8 | Confident | 91.2 | Very high | 18 Ų | 18 | 56.9 Ų | 56.9 | 11% | 0.11 | 29% | 0.292 | C | S | . | . | trans | -67.5 | 146.5 | 178.6 | 61.6 | 0 | 0 | 0 | 0 | 110.5 | K191 F211 M238 | K191-T214 WeakPolarHBondContact CE-O 3.24Å; F211-T214 HydrophobicContact CB-CG2 4.32Å; F211-T214 WeakPolarHBondContact O-CB 3.35Å; F211-T214 WeakPolarHBondContact O-CG2 3.36Å; F211-T214 PolarHBondContact O-N 3.21Å; F211-T214 PolarHBondContact O-OG1 2.75Å; T214-M238 HydrophobicContact CG2-CG 3.87Å | ||
| 215 | S | 80.6 | Confident | 91.2 | Very high | 60 Ų | 60 | 53.4 Ų | 53.4 | 42% | 0.42 | 27% | 0.273 | S | S | . | . | trans | -78.5 | 140 | 167.1 | 56.4 | 0 | 0 | 0 | 0 | 109.7 | S217 | S215-S217 PolarHBondContact O-N 3.29Å; S215-S217 VanDerWaalsContact O-N 3.15Å; S215-S217 PolarHBondContact OG-OG 2.77Å | ||
| 216 | G | 75.2 | Confident | 91.1 | Very high | 34 Ų | 34 | 50 Ų | 50 | 35% | 0.351 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -4.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | K173 T218 | K173-G216 PolarHBondContact NZ-O 2.79Å; G216-T218 PolarHBondContact O-N 2.95Å; G216-T218 VanDerWaalsContact O-N 3.08Å |
| 217 | S | 81.5 | Confident | 90.9 | Very high | 91 Ų | 91 | 51.5 Ų | 51.5 | 64% | 0.636 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -6 | -170.4 | 63.9 | 0 | 0 | 0 | 0 | 115.8 | S215 | S215-S217 PolarHBondContact O-N 3.29Å; S215-S217 VanDerWaalsContact O-N 3.15Å; S215-S217 PolarHBondContact OG-OG 2.77Å |
| 218 | T | 85.4 | Confident | 90.7 | Very high | 12 Ų | 12 | 54.9 Ų | 54.9 | 7% | 0.074 | 29% | 0.286 | C | S | . | . | trans | -74.7 | 130.7 | 176.1 | 53.8 | 0 | 0 | 0 | 0 | 110.3 | K173 G216 L221 H236 A265 T267 | K173-T218 WeakPolarHBondContact CD-O 3.44Å; K173-T218 WeakPolarHBondContact CE-O 3.48Å; K173-T218 PolarHBondContact NZ-O 3.24Å; G216-T218 PolarHBondContact O-N 2.95Å; G216-T218 VanDerWaalsContact O-N 3.08Å; T218-L221 HydrophobicContact CG2-CD2 4.44Å; T218-H236 HydrophobicContact CG2-CB 4.5Å; T218-A265 HydrophobicContact CG2-CB 3.52Å; T218-T267 HydrophobicContact CG2-CG2 3.93Å | ||
| 219 | H | 85.5 | Confident | 90.6 | Very high | 162 Ų | 162 | 50 Ų | 50 | 75% | 0.75 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -76.6 | -37.5 | 176.3 | -65.4 | -75.9 | 0 | 0 | 0 | 113.1 | ||
| 220 | V | 90.3 | Very high | 90.7 | Very high | 40 Ų | 40 | 47.8 Ų | 47.8 | 24% | 0.242 | 26% | 0.259 | C | S | . | . | trans | -133.3 | 151.8 | -177 | -63 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 221 | L | 93.9 | Very high | 90.8 | Very high | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | trans | -130 | 84.8 | 177.3 | -66.7 | 176.8 | 0 | 0 | 0 | 109.5 | K173 G174 Q187 T218 L223 A235 H236 | K173-L221 HydrophobicContact CB-CB 3.94Å; K173-L221 HydrophobicContact CB-CD1 3.85Å; K173-L221 HydrophobicContact CB-CG 3.74Å; K173-L221 HydrophobicContact CD-CD1 4.26Å; K173-L221 HydrophobicContact CD-CG 4.35Å; K173-L221 PolarHBondContact O-N 3.2Å; G174-L221 WeakPolarHBondContact CA-O 3.3Å; Q187-L221 HydrophobicContact CB-CB 4.18Å; Q187-L221 HydrophobicContact CB-CD1 4.06Å; Q187-L221 HydrophobicContact CG-CB 4.43Å; Q187-L221 HydrophobicContact CG-CD1 3.65Å; T218-L221 HydrophobicContact CG2-CD2 4.44Å; L221-L223 WeakPolarHBondContact O-CD2 3.5Å; L221-L223 PolarHBondContact O-N 3.13Å; L221-L223 VanDerWaalsContact O-N 3.13Å; L221-A235 HydrophobicContact CB-CB 3.88Å; L221-A235 HydrophobicContact CD2-CB 3.91Å; L221-H236 HydrophobicContact CD2-CB 3.68Å | ||
| 222 | R | 93.8 | Very high | 91 | Very high | 22 Ų | 22 | 49 Ų | 49 | 8% | 0.083 | 27% | 0.265 | C | S | . | . | B | Isolated β-bridge | trans | -85.2 | 86.1 | 179.3 | -54 | -68.1 | -175.4 | -113.7 | 1.8 | 110.5 | N74 L130 K173 T267 C268 V269 | N74-R222 PolarHBondContact O-NH2 2.86Å; L130-R222 VanDerWaalsContact O-CZ 3.27Å; L130-R222 PolarHBondContact O-NH1 3Å; L130-R222 PolarHBondContact O-NH2 2.88Å; K173-R222 PolarHBondContact O-NH1 3.14Å; R222-T267 PolarHBondContact N-O 2.67Å; R222-C268 HydrophobicContact CB-CB 4.1Å; R222-V269 PolarHBondContact O-N 3.06Å |
| 223 | L | 96.2 | Very high | 91.2 | Very high | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | trans | -71.4 | 154.3 | 166.8 | 66 | 170.2 | 0 | 0 | 0 | 111.4 | R176 A185 Q187 L193 L221 L232 A233 | R176-L223 HydrophobicContact CB-CD2 4.41Å; R176-L223 HydrophobicContact CB-CG 3.95Å; A185-L223 HydrophobicContact CB-CD1 3.5Å; A185-L223 VanDerWaalsContact CB-CD1 3.5Å; Q187-L223 HydrophobicContact CB-CD2 4.43Å; L193-L223 HydrophobicContact CD1-CD1 4.24Å; L221-L223 WeakPolarHBondContact O-CD2 3.5Å; L221-L223 PolarHBondContact O-N 3.13Å; L221-L223 VanDerWaalsContact O-N 3.13Å; L223-L232 HydrophobicContact CB-CD1 4.28Å; L223-L232 HydrophobicContact CD1-CD1 3.96Å; L223-L232 HydrophobicContact CD1-CD2 4.25Å; L223-L232 HydrophobicContact CG-CD1 4.31Å; L223-A233 VanDerWaalsContact CA-O 3.29Å; L223-A233 WeakPolarHBondContact CA-O 3.47Å; L223-A233 VanDerWaalsContact CB-O 3.28Å; L223-A233 WeakPolarHBondContact CB-O 3.36Å | ||
| 224 | D | 96.9 | Very high | 91.4 | Very high | 12 Ų | 12 | 35.7 Ų | 35.7 | 6% | 0.064 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 147.9 | 179.9 | -163.2 | 33.4 | 0 | 0 | 0 | 112.1 | R176 L232 A233 V269 V270 I271 | R176-D224 IonicContact CZ-OD1 3.89Å; R176-D224 VanDerWaalsContact CZ-OD1 3.28Å; R176-D224 IonicContact NE-OD1 3.55Å; R176-D224 PolarHBondContact NE-OD1 3.07Å; R176-D224 IonicContact NH2-OD1 2.81Å; R176-D224 PolarHBondContact NH2-OD1 3.3Å; D224-L232 WeakPolarHBondContact O-CD1 3.41Å; D224-A233 PolarHBondContact N-O 2.87Å; D224-A233 VanDerWaalsContact N-O 3.1Å; D224-A233 PolarHBondContact O-N 3.3Å; D224-V269 VanDerWaalsContact CB-O 3.31Å; D224-V269 WeakPolarHBondContact CB-O 3.42Å; D224-V270 VanDerWaalsContact OD2-CA 3.29Å; D224-V270 WeakPolarHBondContact OD2-CA 3.37Å; D224-I271 PolarHBondContact OD2-N 3.29Å |
| 225 | W | 96.9 | Very high | 91.6 | Very high | 8 Ų | 8 | 34.8 Ų | 34.8 | 3% | 0.03 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 146.7 | 175.9 | -72.3 | 92 | 0 | 0 | 0 | 110.1 | R176 D178 A185 G229 I231 L232 R250 W253 | R176-W225 PolarHBondContact O-NE1 2.83Å; D178-W225 HydrophobicContact CB-CD2 3.76Å; D178-W225 HydrophobicContact CB-CE3 4.15Å; D178-W225 HydrophobicContact CB-CG 4.2Å; D178-W225 HydrophobicContact CB-CH2 4.1Å; D178-W225 HydrophobicContact CB-CZ2 3.74Å; D178-W225 HydrophobicContact CB-CZ3 4.31Å; A185-W225 HydrophobicContact CB-CZ2 4.06Å; W225-G229 WeakPolarHBondContact CZ3-O 3.42Å; W225-I231 CarbonylContact C-O 3.55Å; W225-I231 WeakPolarHBondContact CA-O 3.37Å; W225-L232 HydrophobicContact CD2-CB 3.92Å; W225-L232 HydrophobicContact CD2-CD1 3.84Å; W225-L232 HydrophobicContact CD2-CG 4.42Å; W225-L232 HydrophobicContact CE3-CB 3.81Å; W225-L232 HydrophobicContact CG-CD1 3.89Å; W225-L232 HydrophobicContact CH2-CB 4.18Å; W225-L232 HydrophobicContact CZ2-CB 4.25Å; W225-L232 HydrophobicContact CZ2-CD1 4.37Å; W225-L232 HydrophobicContact CZ2-CD2 4.19Å; W225-L232 HydrophobicContact CZ3-CB 3.95Å; W225-R250 HydrophobicContact CH2-CG 4.24Å; W225-R250 HydrophobicContact CZ3-CB 4.07Å; W225-R250 HydrophobicContact CZ3-CG 4.05Å; W225-W253 AromaticContact CH2-CH2 3.78Å; W225-W253 HydrophobicContact CH2-CH2 3.78Å; W225-W253 AromaticContact CH2-CZ3 3.61Å; W225-W253 HydrophobicContact CH2-CZ3 3.61Å; W225-W253 HydrophobicContact CZ2-CZ3 4.45Å; W225-W253 HydrophobicContact CZ3-CZ3 4.39Å |
| 226 | S | 95.4 | Very high | 92 | Very high | 5 Ų | 5 | 32.2 Ų | 32.2 | 4% | 0.035 | 18% | 0.18 | C | C | . | . | trans | -60 | 147.3 | 164.4 | 57.8 | 0 | 0 | 0 | 0 | 109.6 | P179 D228 G229 F230 I231 | P179-S226 WeakPolarHBondContact CG-O 3.3Å; S226-D228 VanDerWaalsContact CB-OD1 3.24Å; S226-D228 WeakPolarHBondContact CB-OD1 3.25Å; S226-D228 PolarHBondContact O-N 2.92Å; S226-D228 VanDerWaalsContact O-N 3.1Å; S226-D228 PolarHBondContact OG-OD1 2.81Å; S226-G229 WeakPolarHBondContact O-CA 3.44Å; S226-G229 PolarHBondContact O-N 3Å; S226-F230 PolarHBondContact OG-N 3.16Å; S226-I231 PolarHBondContact N-O 2.78Å; S226-I231 PolarHBondContact OG-N 3.48Å; S226-I231 PolarHBondContact OG-O 3.29Å | ||
| 227 | P | 92.9 | Very high | 92.5 | Very high | 69 Ų | 69 | 30.6 Ų | 30.6 | 45% | 0.448 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -28.6 | -177.3 | -29.7 | 36.7 | 0 | 0 | 0 | 115 | P179 G229 L273 | P179-P227 WeakPolarHBondContact CG-O 3.36Å; P227-G229 VanDerWaalsContact C-N 3.31Å; P227-L273 HydrophobicContact CB-CD1 4.33Å; P227-L273 HydrophobicContact CG-CD1 4.36Å; P227-L273 HydrophobicContact CG-CG 4.16Å |
| 228 | D | 94 | Very high | 92.8 | Very high | 74 Ų | 74 | 28.2 Ų | 28.2 | 40% | 0.396 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -9.2 | 175.2 | 60.7 | 12.6 | 0 | 0 | 0 | 113.8 | S226 F230 | S226-D228 VanDerWaalsContact CB-OD1 3.24Å; S226-D228 WeakPolarHBondContact CB-OD1 3.25Å; S226-D228 PolarHBondContact O-N 2.92Å; S226-D228 VanDerWaalsContact O-N 3.1Å; S226-D228 PolarHBondContact OG-OD1 2.81Å; D228-F230 VanDerWaalsContact C-N 3.29Å; D228-F230 HydrophobicContact CB-CD2 3.75Å; D228-F230 HydrophobicContact CB-CE2 4.22Å; D228-F230 VanDerWaalsContact CG-CD2 3.48Å; D228-F230 PolarHBondContact O-N 3.1Å; D228-F230 PolarHBondContact OD1-N 2.51Å |
| 229 | G | 94.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | S | Bend | trans | 72.8 | 11.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | W225 S226 P227 R250 | W225-G229 WeakPolarHBondContact CZ3-O 3.42Å; S226-G229 WeakPolarHBondContact O-CA 3.44Å; S226-G229 PolarHBondContact O-N 3Å; P227-G229 VanDerWaalsContact C-N 3.31Å; G229-R250 WeakPolarHBondContact O-CD 3.25Å; G229-R250 VanDerWaalsContact O-CZ 3.31Å; G229-R250 PolarHBondContact O-NE 2.81Å; G229-R250 PolarHBondContact O-NH1 3.26Å; G229-R250 VanDerWaalsContact O-NH1 3.08Å |
| 230 | F | 95.4 | Very high | 92.8 | Very high | 96 Ų | 96 | 30.4 Ų | 30.4 | 42% | 0.421 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -84.4 | -23.5 | -179.5 | -73.6 | -70.3 | 0 | 0 | 0 | 114 | S226 D228 R250 | S226-F230 PolarHBondContact OG-N 3.16Å; D228-F230 VanDerWaalsContact C-N 3.29Å; D228-F230 HydrophobicContact CB-CD2 3.75Å; D228-F230 HydrophobicContact CB-CE2 4.22Å; D228-F230 VanDerWaalsContact CG-CD2 3.48Å; D228-F230 PolarHBondContact O-N 3.1Å; D228-F230 PolarHBondContact OD1-N 2.51Å; F230-R250 VanDerWaalsContact CD1-NH2 3.34Å; F230-R250 PolarHBondContact O-N 3.28Å |
| 231 | I | 95.9 | Very high | 92.5 | Very high | 37 Ų | 37 | 31.5 Ų | 31.5 | 19% | 0.19 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 132.1 | -176.3 | -58.8 | 176.9 | 0 | 0 | 0 | 109.1 | W225 S226 L247 I248 I271 | W225-I231 CarbonylContact C-O 3.55Å; W225-I231 WeakPolarHBondContact CA-O 3.37Å; S226-I231 PolarHBondContact N-O 2.78Å; S226-I231 PolarHBondContact OG-N 3.48Å; S226-I231 PolarHBondContact OG-O 3.29Å; I231-L247 HydrophobicContact CG2-CB 3.96Å; I231-L247 HydrophobicContact CG2-CD2 4Å; I231-L247 HydrophobicContact CG2-CG 4.43Å; I231-I248 CarbonylContact C-O 3.49Å; I231-I248 WeakPolarHBondContact CA-O 3.44Å; I231-I271 HydrophobicContact CG2-CD1 4.44Å |
| 232 | L | 97 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 124.2 | 166.9 | 171.6 | 70.5 | 0 | 0 | 0 | 108.9 | A185 L193 I195 L223 D224 W225 I248 | A185-L232 HydrophobicContact CB-CD1 4.03Å; A185-L232 HydrophobicContact CB-CD2 3.48Å; A185-L232 VanDerWaalsContact CB-CD2 3.48Å; A185-L232 HydrophobicContact CB-CG 4.41Å; L193-L232 HydrophobicContact CD1-CD2 3.87Å; L193-L232 HydrophobicContact CD2-CD2 3.71Å; L193-L232 HydrophobicContact CG-CD2 4.34Å; I195-L232 HydrophobicContact CD1-CD2 3.99Å; L223-L232 HydrophobicContact CB-CD1 4.28Å; L223-L232 HydrophobicContact CD1-CD1 3.96Å; L223-L232 HydrophobicContact CD1-CD2 4.25Å; L223-L232 HydrophobicContact CG-CD1 4.31Å; D224-L232 WeakPolarHBondContact O-CD1 3.41Å; W225-L232 HydrophobicContact CD2-CB 3.92Å; W225-L232 HydrophobicContact CD2-CD1 3.84Å; W225-L232 HydrophobicContact CD2-CG 4.42Å; W225-L232 HydrophobicContact CE3-CB 3.81Å; W225-L232 HydrophobicContact CG-CD1 3.89Å; W225-L232 HydrophobicContact CH2-CB 4.18Å; W225-L232 HydrophobicContact CZ2-CB 4.25Å; W225-L232 HydrophobicContact CZ2-CD1 4.37Å; W225-L232 HydrophobicContact CZ2-CD2 4.19Å; W225-L232 HydrophobicContact CZ3-CB 3.95Å; L232-I248 HydrophobicContact CB-CB 4.25Å; L232-I248 PolarHBondContact N-O 2.83Å; L232-I248 VanDerWaalsContact O-CD1 3.3Å; L232-I248 WeakPolarHBondContact O-CD1 3.44Å; L232-I248 PolarHBondContact O-N 2.71Å |
| 233 | A | 96.2 | Very high | 92 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 124.1 | 170 | 0 | 0 | 0 | 0 | 0 | 110.8 | L223 D224 K246 L247 V269 I271 | L223-A233 VanDerWaalsContact CA-O 3.29Å; L223-A233 WeakPolarHBondContact CA-O 3.47Å; L223-A233 VanDerWaalsContact CB-O 3.28Å; L223-A233 WeakPolarHBondContact CB-O 3.36Å; D224-A233 PolarHBondContact N-O 2.87Å; D224-A233 VanDerWaalsContact N-O 3.1Å; D224-A233 PolarHBondContact O-N 3.3Å; A233-K246 CarbonylContact C-O 2.9Å; A233-K246 WeakPolarHBondContact CA-O 3.39Å; A233-L247 HydrophobicContact CB-CD2 3.77Å; A233-V269 HydrophobicContact CB-CB 4.24Å; A233-V269 HydrophobicContact CB-CG1 3.51Å; A233-I271 HydrophobicContact CB-CD1 3.67Å; A233-I271 HydrophobicContact CB-CG1 4.14Å |
| 234 | S | 94.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -74.4 | 153.4 | 173 | 71 | 0 | 0 | 0 | 0 | 111.2 | S245 K246 V269 | S234-S245 WeakPolarHBondContact O-CB 3.37Å; S234-S245 PolarHBondContact O-OG 3.25Å; S234-K246 PolarHBondContact N-O 2.86Å; S234-K246 WeakPolarHBondContact OG-CB 3.42Å; S234-K246 PolarHBondContact OG-N 3Å; S234-K246 PolarHBondContact OG-O 2.81Å; S234-V269 WeakPolarHBondContact O-CG2 3.34Å | ||
| 235 | A | 90.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -70.2 | -66.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q187 L221 V266 | Q187-A235 VanDerWaalsContact OE1-N 3.14Å; L221-A235 HydrophobicContact CB-CB 3.88Å; L221-A235 HydrophobicContact CD2-CB 3.91Å; A235-V266 CarbonylContact C-O 3.54Å; A235-V266 CarbonylContact O-C 3.57Å; A235-V266 WeakPolarHBondContact O-CB 3.14Å; A235-V266 WeakPolarHBondContact O-CG1 3.05Å |
| 236 | H | 89.2 | Confident | 91.5 | Very high | 5 Ų | 5 | 32.4 Ų | 32.4 | 2% | 0.023 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -120.9 | 124.3 | -176.3 | -169.9 | 28.8 | 0 | 0 | 0 | 112.2 | Q187 F211 T218 L221 V266 | Q187-H236 PolarHBondContact NE2-O 3.29Å; F211-H236 WeakPolarHBondContact CD1-O 3.47Å; F211-H236 WeakPolarHBondContact CE1-O 3.42Å; T218-H236 HydrophobicContact CG2-CB 4.5Å; L221-H236 HydrophobicContact CD2-CB 3.68Å; H236-V266 WeakPolarHBondContact CA-O 3.26Å; H236-V266 VanDerWaalsContact CB-O 3.25Å; H236-V266 WeakPolarHBondContact CB-O 3.48Å; H236-V266 PolarHBondContact N-O 3.49Å |
| 237 | A | 85.6 | Confident | 91.5 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 177.3 | 167 | 0 | 0 | 0 | 0 | 0 | 110.1 | P210 F211 P243 V244 K246 | P210-A237 HydrophobicContact CB-CB 4.19Å; P210-A237 WeakPolarHBondContact O-CB 3.18Å; F211-A237 HydrophobicContact CD1-CB 3.88Å; F211-A237 HydrophobicContact CE1-CB 3.81Å; A237-P243 WeakPolarHBondContact O-CA 3.45Å; A237-V244 HydrophobicContact CB-CG2 3.87Å; A237-V244 PolarHBondContact N-O 3.01Å; A237-V244 PolarHBondContact O-N 2.79Å; A237-K246 HydrophobicContact CB-CB 4.16Å; A237-K246 HydrophobicContact CB-CG 3.47Å; A237-K246 VanDerWaalsContact CB-CG 3.47Å |
| 238 | M | 89 | Confident | 91.7 | Very high | 42 Ų | 42 | 29.5 Ų | 29.5 | 21% | 0.207 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 136.8 | 175.6 | -64.5 | -63.1 | -70.9 | 0 | 0 | 111.1 | P210 K213 T214 G241 G242 P243 | P210-M238 PolarHBondContact O-N 3.13Å; K213-M238 HydrophobicContact CB-CB 3.98Å; K213-M238 HydrophobicContact CB-CG 4.11Å; T214-M238 HydrophobicContact CG2-CG 3.87Å; M238-G241 VanDerWaalsContact CE-O 3.24Å; M238-G241 WeakPolarHBondContact CE-O 3.3Å; M238-G242 WeakPolarHBondContact CA-O 3.24Å; M238-P243 HydrophobicContact SD-CB 4.2Å |
| 239 | N | 85.3 | Confident | 91.8 | Very high | 56 Ų | 56 | 28.9 Ų | 28.9 | 30% | 0.299 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 130.2 | 168.1 | -171.8 | 0.8 | 0 | 0 | 0 | 109.1 | G241 G242 V244 D258 | N239-G241 PolarHBondContact O-N 2.82Å; N239-G242 PolarHBondContact N-O 2.73Å; N239-G242 PolarHBondContact O-N 2.93Å; N239-V244 HydrophobicContact CB-CG1 3.85Å; N239-V244 HydrophobicContact CB-CG2 3.97Å; N239-D258 PolarHBondContact ND2-OD2 3.49Å |
| 240 | N | 85.5 | Confident | 91.8 | Very high | 164 Ų | 164 | 30.1 Ų | 30.1 | 88% | 0.877 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | 37 | -179.6 | -66.1 | -26 | 0 | 0 | 0 | 114.9 | G242 | N240-G242 PolarHBondContact O-N 2.96Š|
| 241 | G | 83.4 | Confident | 91.8 | Very high | 62 Ų | 62 | 30.9 Ų | 30.9 | 64% | 0.639 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | -5.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | M238 N239 | M238-G241 VanDerWaalsContact CE-O 3.24Å; M238-G241 WeakPolarHBondContact CE-O 3.3Å; N239-G241 PolarHBondContact O-N 2.82Å |
| 242 | G | 87.3 | Confident | 91.7 | Very high | 27 Ų | 27 | 35 Ų | 35 | 28% | 0.278 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 147.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | M238 N239 N240 | M238-G242 WeakPolarHBondContact CA-O 3.24Å; N239-G242 PolarHBondContact N-O 2.73Å; N239-G242 PolarHBondContact O-N 2.93Å; N240-G242 PolarHBondContact O-N 2.96Å |
| 243 | P | 90.6 | Very high | 91.7 | Very high | 18 Ų | 18 | 36.7 Ų | 36.7 | 12% | 0.117 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 134.4 | 170.8 | 30.7 | -32.6 | 0 | 0 | 0 | 110.3 | A237 M238 H262 K264 | A237-P243 WeakPolarHBondContact O-CA 3.45Å; M238-P243 HydrophobicContact SD-CB 4.2Å; P243-H262 WeakPolarHBondContact CD-O 3.39Å; P243-H262 HydrophobicContact CG-CB 4.19Å; P243-H262 VanDerWaalsContact CG-O 3.24Å; P243-H262 WeakPolarHBondContact CG-O 3.27Å; P243-K264 WeakPolarHBondContact CB-O 3.15Å; P243-K264 WeakPolarHBondContact CG-O 3.34Å |
| 244 | V | 91.6 | Very high | 91.6 | Very high | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.024 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 163 | 179.6 | -56.5 | 0 | 0 | 0 | 0 | 110.7 | A237 N239 K246 D258 F259 V260 | A237-V244 HydrophobicContact CB-CG2 3.87Å; A237-V244 PolarHBondContact N-O 3.01Å; A237-V244 PolarHBondContact O-N 2.79Å; N239-V244 HydrophobicContact CB-CG1 3.85Å; N239-V244 HydrophobicContact CB-CG2 3.97Å; V244-K246 HydrophobicContact CG2-CG 4.2Å; V244-D258 HydrophobicContact CB-CB 4.12Å; V244-D258 HydrophobicContact CG2-CB 4.09Å; V244-F259 WeakPolarHBondContact CA-O 3.28Å; V244-F259 WeakPolarHBondContact CB-O 3.19Å; V244-V260 HydrophobicContact CG1-CB 4.47Å; V244-V260 HydrophobicContact CG1-CG1 3.82Å |
| 245 | S | 93 | Very high | 91.6 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.014 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 124.2 | 159.1 | 173 | 0 | 0 | 0 | 0 | 108.3 | S234 D258 F259 | S234-S245 WeakPolarHBondContact O-CB 3.37Å; S234-S245 PolarHBondContact O-OG 3.25Å; S245-D258 CarbonylContact O-C 3.53Å; S245-D258 WeakPolarHBondContact O-CA 3.42Å; S245-D258 VanDerWaalsContact O-CB 3.24Å; S245-D258 WeakPolarHBondContact O-CB 3.11Å; S245-F259 PolarHBondContact N-O 3.47Å; S245-F259 VanDerWaalsContact N-O 3.07Å; S245-F259 PolarHBondContact O-N 2.9Å |
| 246 | K | 94.3 | Very high | 91.7 | Very high | 19 Ų | 19 | 49.3 Ų | 49.3 | 8% | 0.083 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 140.2 | 177.5 | -78.5 | -85 | 172.2 | -161.3 | 0 | 110.2 | P210 A233 S234 A237 V244 I248 D258 | P210-K246 HydrophobicContact CB-CD 3.94Å; P210-K246 HydrophobicContact CB-CG 3.63Å; P210-K246 HydrophobicContact CG-CD 4.3Å; P210-K246 HydrophobicContact CG-CG 4.31Å; A233-K246 CarbonylContact C-O 2.9Å; A233-K246 WeakPolarHBondContact CA-O 3.39Å; S234-K246 PolarHBondContact N-O 2.86Å; S234-K246 WeakPolarHBondContact OG-CB 3.42Å; S234-K246 PolarHBondContact OG-N 3Å; S234-K246 PolarHBondContact OG-O 2.81Å; A237-K246 HydrophobicContact CB-CB 4.16Å; A237-K246 HydrophobicContact CB-CG 3.47Å; A237-K246 VanDerWaalsContact CB-CG 3.47Å; V244-K246 HydrophobicContact CG2-CG 4.2Å; K246-I248 HydrophobicContact CB-CD1 4.3Å; K246-I248 WeakPolarHBondContact O-CD1 3.24Å; K246-D258 HydrophobicContact CD-CB 4.02Å; K246-D258 WeakPolarHBondContact CE-OD2 3.39Å; K246-D258 IonicContact NZ-OD2 3.89Å; K246-D258 PolarHBondContact NZ-OD2 2.69Å |
| 247 | L | 95 | Very high | 91.8 | Very high | 13 Ų | 13 | 54.6 Ų | 54.6 | 7% | 0.068 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 115.5 | 174.3 | -58.3 | -176.2 | 0 | 0 | 0 | 108.6 | I231 A233 Y255 R257 F259 | I231-L247 HydrophobicContact CG2-CB 3.96Å; I231-L247 HydrophobicContact CG2-CD2 4Å; I231-L247 HydrophobicContact CG2-CG 4.43Å; A233-L247 HydrophobicContact CB-CD2 3.77Å; L247-Y255 WeakPolarHBondContact O-CA 2.8Å; L247-R257 HydrophobicContact CB-CB 4.09Å; L247-R257 HydrophobicContact CD1-CB 4.07Å; L247-R257 HydrophobicContact CG-CB 4.47Å; L247-R257 PolarHBondContact N-O 3.43Å; L247-F259 HydrophobicContact CD1-CD2 4.13Å; L247-F259 HydrophobicContact CD1-CE2 3.78Å; L247-F259 HydrophobicContact CD1-CZ 4.21Å; L247-F259 HydrophobicContact CD2-CD2 3.75Å; L247-F259 HydrophobicContact CD2-CE2 3.7Å; L247-F259 HydrophobicContact CG-CD2 4.18Å; L247-F259 HydrophobicContact CG-CE2 4.21Å |
| 248 | I | 96.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 122.3 | 179.6 | -59.1 | 86.6 | 0 | 0 | 0 | 108.1 | L193 I207 I231 L232 K246 W253 T254 | L193-I248 HydrophobicContact CD1-CD1 3.94Å; I207-I248 HydrophobicContact CD1-CB 4.35Å; I207-I248 HydrophobicContact CD1-CG1 3.79Å; I207-I248 HydrophobicContact CD1-CG2 3.55Å; I231-I248 CarbonylContact C-O 3.49Å; I231-I248 WeakPolarHBondContact CA-O 3.44Å; L232-I248 HydrophobicContact CB-CB 4.25Å; L232-I248 PolarHBondContact N-O 2.83Å; L232-I248 VanDerWaalsContact O-CD1 3.3Å; L232-I248 WeakPolarHBondContact O-CD1 3.44Å; L232-I248 PolarHBondContact O-N 2.71Å; K246-I248 HydrophobicContact CB-CD1 4.3Å; K246-I248 WeakPolarHBondContact O-CD1 3.24Å; I248-W253 HydrophobicContact CG2-CB 4.44Å; I248-W253 HydrophobicContact CG2-CE3 3.89Å; I248-T254 CarbonylContact C-O 3.5Å; I248-T254 VanDerWaalsContact CA-O 3.25Å; I248-T254 WeakPolarHBondContact CA-O 3.49Å |
| 249 | E | 97 | Very high | 92 | Very high | 60 Ų | 60 | 60 Ų | 60 | 28% | 0.28 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 124.3 | 177.7 | -58.3 | -172.1 | 179.6 | 0 | 0 | 110 | N251 W253 T254 R257 | E249-N251 VanDerWaalsContact C-N 3.3Å; E249-N251 PolarHBondContact O-N 3.42Å; E249-W253 WeakPolarHBondContact O-CA 3.49Å; E249-W253 PolarHBondContact O-N 3.39Å; E249-T254 PolarHBondContact N-O 2.87Å; E249-R257 IonicContact OE1-CZ 3.77Å; E249-R257 VanDerWaalsContact OE1-CZ 3.28Å; E249-R257 IonicContact OE1-NE 2.8Å; E249-R257 PolarHBondContact OE1-NE 2.97Å; E249-R257 IonicContact OE1-NH2 3.47Å; E249-R257 PolarHBondContact OE1-NH2 3.21Å |
| 250 | R | 95.4 | Very high | 92 | Very high | 27 Ų | 27 | 62.1 Ų | 62.1 | 10% | 0.102 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -34.1 | -171.9 | -171.7 | -174.4 | 61.4 | -164.2 | -4.1 | 114.3 | Y183 W225 G229 F230 D252 W253 | Y183-R250 HydrophobicContact CD2-CG 4.29Å; Y183-R250 HydrophobicContact CE2-CG 4.06Å; W225-R250 HydrophobicContact CH2-CG 4.24Å; W225-R250 HydrophobicContact CZ3-CB 4.07Å; W225-R250 HydrophobicContact CZ3-CG 4.05Å; G229-R250 WeakPolarHBondContact O-CD 3.25Å; G229-R250 VanDerWaalsContact O-CZ 3.31Å; G229-R250 PolarHBondContact O-NE 2.81Å; G229-R250 PolarHBondContact O-NH1 3.26Å; G229-R250 VanDerWaalsContact O-NH1 3.08Å; F230-R250 VanDerWaalsContact CD1-NH2 3.34Å; F230-R250 PolarHBondContact O-N 3.28Å; R250-D252 VanDerWaalsContact C-N 3.32Å; R250-D252 PolarHBondContact O-N 3.17Å; R250-W253 HydrophobicContact CB-CH2 4.44Å; R250-W253 HydrophobicContact CB-CZ3 4.38Å; R250-W253 HydrophobicContact CG-CH2 3.63Å; R250-W253 HydrophobicContact CG-CZ2 4.1Å; R250-W253 HydrophobicContact CG-CZ3 4.05Å |
| 251 | N | 93.7 | Very high | 91.9 | Very high | 111 Ų | 111 | 57.9 Ų | 57.9 | 59% | 0.594 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -43.1 | -169.8 | -68.7 | -14.7 | 0 | 0 | 0 | 111.7 | E249 | E249-N251 VanDerWaalsContact C-N 3.3Å; E249-N251 PolarHBondContact O-N 3.42Å |
| 252 | D | 94.7 | Very high | 91.9 | Very high | 124 Ų | 124 | 59.4 Ų | 59.4 | 66% | 0.663 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.3 | 6 | -174.8 | -55.2 | -45 | 0 | 0 | 0 | 112.8 | R250 T254 | R250-D252 VanDerWaalsContact C-N 3.32Å; R250-D252 PolarHBondContact O-N 3.17Å; D252-T254 HydrophobicContact CB-CG2 3.89Å; D252-T254 PolarHBondContact O-N 3.08Å |
| 253 | W | 96.1 | Very high | 91.7 | Very high | 35 Ų | 35 | 69.8 Ų | 69.8 | 13% | 0.133 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 27.5 | -175.9 | -50.7 | 110.7 | 0 | 0 | 0 | 114.8 | Y183 I195 E205 I207 W225 I248 E249 R250 | Y183-W253 HydrophobicContact CD1-CH2 4.03Å; Y183-W253 AromaticContact CD1-CZ2 3.9Å; Y183-W253 HydrophobicContact CD1-CZ2 3.9Å; Y183-W253 HydrophobicContact CD2-CH2 4.29Å; Y183-W253 HydrophobicContact CE1-CH2 4.35Å; Y183-W253 AromaticContact CE1-CZ2 3.85Å; Y183-W253 HydrophobicContact CE1-CZ2 3.85Å; Y183-W253 AromaticContact CG-CH2 3.98Å; Y183-W253 HydrophobicContact CG-CH2 3.98Å; Y183-W253 HydrophobicContact CG-CZ2 4.3Å; I195-W253 HydrophobicContact CB-CH2 4.3Å; I195-W253 HydrophobicContact CB-CZ2 4.41Å; I195-W253 HydrophobicContact CB-CZ3 4.42Å; I195-W253 HydrophobicContact CD1-CE3 3.96Å; I195-W253 HydrophobicContact CD1-CH2 4.14Å; I195-W253 HydrophobicContact CD1-CZ3 3.57Å; I195-W253 HydrophobicContact CG1-CD2 4.04Å; I195-W253 HydrophobicContact CG1-CE3 3.67Å; I195-W253 HydrophobicContact CG1-CH2 4.01Å; I195-W253 HydrophobicContact CG1-CZ2 4.39Å; I195-W253 HydrophobicContact CG1-CZ3 3.63Å; I195-W253 HydrophobicContact CG2-CH2 3.43Å; I195-W253 VanDerWaalsContact CG2-CH2 3.43Å; I195-W253 HydrophobicContact CG2-CZ2 3.55Å; I195-W253 HydrophobicContact CG2-CZ3 3.98Å; E205-W253 HydrophobicContact CB-CB 4.48Å; E205-W253 HydrophobicContact CB-CG 4.06Å; E205-W253 HydrophobicContact CG-CB 3.74Å; E205-W253 HydrophobicContact CG-CG 3.85Å; I207-W253 HydrophobicContact CD1-CB 4.4Å; W225-W253 AromaticContact CH2-CH2 3.78Å; W225-W253 HydrophobicContact CH2-CH2 3.78Å; W225-W253 AromaticContact CH2-CZ3 3.61Å; W225-W253 HydrophobicContact CH2-CZ3 3.61Å; W225-W253 HydrophobicContact CZ2-CZ3 4.45Å; W225-W253 HydrophobicContact CZ3-CZ3 4.39Å; I248-W253 HydrophobicContact CG2-CB 4.44Å; I248-W253 HydrophobicContact CG2-CE3 3.89Å; E249-W253 WeakPolarHBondContact O-CA 3.49Å; E249-W253 PolarHBondContact O-N 3.39Å; R250-W253 HydrophobicContact CB-CH2 4.44Å; R250-W253 HydrophobicContact CB-CZ3 4.38Å; R250-W253 HydrophobicContact CG-CH2 3.63Å; R250-W253 HydrophobicContact CG-CZ2 4.1Å; R250-W253 HydrophobicContact CG-CZ3 4.05Å |
| 254 | T | 95.8 | Very high | 91.5 | Very high | 47 Ų | 47 | 77.4 Ų | 77.4 | 29% | 0.288 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 154.8 | 177.3 | 58.5 | 0 | 0 | 0 | 0 | 111.1 | I248 E249 D252 | I248-T254 CarbonylContact C-O 3.5Å; I248-T254 VanDerWaalsContact CA-O 3.25Å; I248-T254 WeakPolarHBondContact CA-O 3.49Å; E249-T254 PolarHBondContact N-O 2.87Å; D252-T254 HydrophobicContact CB-CG2 3.89Å; D252-T254 PolarHBondContact O-N 3.08Å |
| 255 | Y | 94.1 | Very high | 91.1 | Very high | 63 Ų | 63 | 78.8 Ų | 78.8 | 25% | 0.247 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 40.3 | -171.7 | 49.3 | -96.8 | 0 | 0 | 0 | 113.3 | I207 K209 P210 L247 R257 | I207-Y255 HydrophobicContact CD1-CD1 4.37Å; I207-Y255 HydrophobicContact CG2-CD1 3.66Å; I207-Y255 HydrophobicContact CG2-CE1 3.71Å; I207-Y255 HydrophobicContact CG2-CG 4.36Å; K209-Y255 HydrophobicContact CB-CE2 4.35Å; K209-Y255 HydrophobicContact CD-CE2 4.33Å; P210-Y255 HydrophobicContact CG-CD1 4.42Å; P210-Y255 HydrophobicContact CG-CD2 3.42Å; P210-Y255 VanDerWaalsContact CG-CD2 3.42Å; P210-Y255 HydrophobicContact CG-CE2 3.62Å; P210-Y255 HydrophobicContact CG-CG 3.86Å; L247-Y255 WeakPolarHBondContact O-CA 2.8Å; Y255-R257 PolarHBondContact O-N 3.34Å |
| 256 | E | 92.2 | Very high | 90.6 | Very high | 155 Ų | 155 | 79.1 Ų | 79.1 | 72% | 0.724 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.9 | -19 | -175 | -60.4 | -53 | 138.6 | 0 | 0 | 113.5 | ||
| 257 | R | 92.1 | Very high | 90.2 | Very high | 117 Ų | 117 | 81.1 Ų | 81.1 | 44% | 0.442 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 148.9 | -177.1 | -62.5 | -175.6 | -75.2 | 161.8 | -3.4 | 111.5 | L247 E249 Y255 | L247-R257 HydrophobicContact CB-CB 4.09Å; L247-R257 HydrophobicContact CD1-CB 4.07Å; L247-R257 HydrophobicContact CG-CB 4.47Å; L247-R257 PolarHBondContact N-O 3.43Å; E249-R257 IonicContact OE1-CZ 3.77Å; E249-R257 VanDerWaalsContact OE1-CZ 3.28Å; E249-R257 IonicContact OE1-NE 2.8Å; E249-R257 PolarHBondContact OE1-NE 2.97Å; E249-R257 IonicContact OE1-NH2 3.47Å; E249-R257 PolarHBondContact OE1-NH2 3.21Å; Y255-R257 PolarHBondContact O-N 3.34Å |
| 258 | D | 91.4 | Very high | 89.7 | Confident | 39 Ų | 39 | 84 Ų | 84 | 21% | 0.209 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 159.4 | 171.1 | 49.6 | 37.6 | 0 | 0 | 0 | 112.5 | N239 V244 S245 K246 V260 | N239-D258 PolarHBondContact ND2-OD2 3.49Å; V244-D258 HydrophobicContact CB-CB 4.12Å; V244-D258 HydrophobicContact CG2-CB 4.09Å; S245-D258 CarbonylContact O-C 3.53Å; S245-D258 WeakPolarHBondContact O-CA 3.42Å; S245-D258 VanDerWaalsContact O-CB 3.24Å; S245-D258 WeakPolarHBondContact O-CB 3.11Å; K246-D258 HydrophobicContact CD-CB 4.02Å; K246-D258 WeakPolarHBondContact CE-OD2 3.39Å; K246-D258 IonicContact NZ-OD2 3.89Å; K246-D258 PolarHBondContact NZ-OD2 2.69Å; D258-V260 WeakPolarHBondContact OD1-CG1 3.39Å |
| 259 | F | 87.5 | Confident | 89 | Confident | 117 Ų | 117 | 85 Ų | 85 | 51% | 0.513 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 116.2 | 164.2 | -74 | -62.7 | 0 | 0 | 0 | 109.4 | V244 S245 L247 | V244-F259 WeakPolarHBondContact CA-O 3.28Å; V244-F259 WeakPolarHBondContact CB-O 3.19Å; S245-F259 PolarHBondContact N-O 3.47Å; S245-F259 VanDerWaalsContact N-O 3.07Å; S245-F259 PolarHBondContact O-N 2.9Å; L247-F259 HydrophobicContact CD1-CD2 4.13Å; L247-F259 HydrophobicContact CD1-CE2 3.78Å; L247-F259 HydrophobicContact CD1-CZ 4.21Å; L247-F259 HydrophobicContact CD2-CD2 3.75Å; L247-F259 HydrophobicContact CD2-CE2 3.7Å; L247-F259 HydrophobicContact CG-CD2 4.18Å; L247-F259 HydrophobicContact CG-CE2 4.21Å |
| 260 | V | 85.6 | Confident | 88.6 | Confident | 100 Ų | 100 | 86.4 Ų | 86.4 | 61% | 0.606 | 44% | 0.443 | S | S | * | . | trans | -98.5 | 174.6 | 178.2 | -61.1 | 0 | 0 | 0 | 0 | 111.6 | V244 D258 | V244-V260 HydrophobicContact CG1-CB 4.47Å; V244-V260 HydrophobicContact CG1-CG1 3.82Å; D258-V260 WeakPolarHBondContact OD1-CG1 3.39Å | ||
| 261 | G | 82.8 | Confident | 88.1 | Confident | 74 Ų | 74 | 86.7 Ų | 86.7 | 76% | 0.763 | 45% | 0.446 | S | S | * | . | trans | 109.3 | -1.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 262 | H | 83.8 | Confident | 87.6 | Confident | 94 Ų | 94 | 91 Ų | 91 | 44% | 0.435 | 45% | 0.454 | S | S | . | . | trans | -84.6 | 141.7 | 176.1 | -61.5 | -86 | 0 | 0 | 0 | 111.3 | P243 V266 | P243-H262 WeakPolarHBondContact CD-O 3.39Å; P243-H262 HydrophobicContact CG-CB 4.19Å; P243-H262 VanDerWaalsContact CG-O 3.24Å; P243-H262 WeakPolarHBondContact CG-O 3.27Å; H262-V266 HydrophobicContact CB-CG2 3.72Å; H262-V266 WeakPolarHBondContact CD2-CG2 3.07Å | ||
| 263 | R | 83.2 | Confident | 86.6 | Confident | 246 Ų | 246 | 94.8 Ų | 94.8 | 93% | 0.928 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -95.1 | -13.7 | 174.4 | -67.4 | -171.4 | -71.1 | -153 | -2.2 | 113.5 | ||
| 264 | K | 85.9 | Confident | 86.1 | Confident | 177 Ų | 177 | 97.8 Ų | 97.8 | 77% | 0.77 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -133.4 | 165.3 | 179.6 | -67.3 | -172.8 | 177.1 | -176 | 0 | 108.9 | P243 V266 | P243-K264 WeakPolarHBondContact CB-O 3.15Å; P243-K264 WeakPolarHBondContact CG-O 3.34Å; K264-V266 PolarHBondContact O-N 2.87Å |
| 265 | A | 81.9 | Confident | 85.6 | Confident | 34 Ų | 34 | 100.4 Ų | 100.4 | 28% | 0.281 | 50% | 0.5 | S | S | . | . | trans | -50.8 | 133 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T218 | T218-A265 HydrophobicContact CG2-CB 3.52Š| ||
| 266 | V | 83.8 | Confident | 85.1 | Confident | 9 Ų | 9 | 102.5 Ų | 102.5 | 6% | 0.055 | 51% | 0.514 | C | S | . | . | trans | -81.9 | 116.2 | 173.1 | 176.5 | 0 | 0 | 0 | 0 | 107.1 | A235 H236 H262 K264 V269 | A235-V266 CarbonylContact C-O 3.54Å; A235-V266 CarbonylContact O-C 3.57Å; A235-V266 WeakPolarHBondContact O-CB 3.14Å; A235-V266 WeakPolarHBondContact O-CG1 3.05Å; H236-V266 WeakPolarHBondContact CA-O 3.26Å; H236-V266 VanDerWaalsContact CB-O 3.25Å; H236-V266 WeakPolarHBondContact CB-O 3.48Å; H236-V266 PolarHBondContact N-O 3.49Å; H262-V266 HydrophobicContact CB-CG2 3.72Å; H262-V266 WeakPolarHBondContact CD2-CG2 3.07Å; K264-V266 PolarHBondContact O-N 2.87Å; V266-V269 HydrophobicContact CG1-CG2 3.64Å | ||
| 267 | T | 85.8 | Confident | 84.7 | Confident | 60 Ų | 60 | 99.4 Ų | 99.4 | 37% | 0.368 | 50% | 0.502 | S | S | . | . | trans | -106.6 | -12.3 | -175.5 | 53.1 | 0 | 0 | 0 | 0 | 112.8 | T218 R222 | T218-T267 HydrophobicContact CG2-CG2 3.93Å; R222-T267 PolarHBondContact N-O 2.67Å | ||
| 268 | C | 83.5 | Confident | 84.2 | Confident | 75 Ų | 75 | 98.3 Ų | 98.3 | 51% | 0.507 | 51% | 0.506 | S | S | . | . | B | Isolated β-bridge | trans | -147.6 | 132.3 | 179.6 | -174.5 | 0 | 0 | 0 | 0 | 110.7 | R222 | R222-C268 HydrophobicContact CB-CB 4.1Å |
| 269 | V | 83.6 | Confident | 83.7 | Confident | 22 Ų | 22 | 102.3 Ų | 102.3 | 13% | 0.133 | 53% | 0.526 | C | S | . | . | trans | -126.8 | 145.3 | 172.7 | -177 | 0 | 0 | 0 | 0 | 108.3 | R222 D224 A233 S234 V266 I271 | R222-V269 PolarHBondContact O-N 3.06Å; D224-V269 VanDerWaalsContact CB-O 3.31Å; D224-V269 WeakPolarHBondContact CB-O 3.42Å; A233-V269 HydrophobicContact CB-CB 4.24Å; A233-V269 HydrophobicContact CB-CG1 3.51Å; S234-V269 WeakPolarHBondContact O-CG2 3.34Å; V266-V269 HydrophobicContact CG1-CG2 3.64Å; V269-I271 HydrophobicContact CG1-CG1 4.49Å | ||
| 270 | V | 87.1 | Confident | 83.5 | Confident | 88 Ų | 88 | 101.2 Ų | 101.2 | 53% | 0.533 | 53% | 0.527 | S | S | . | . | trans | -136.6 | 124.1 | 171.2 | -178.6 | 0 | 0 | 0 | 0 | 107 | D224 R272 | D224-V270 VanDerWaalsContact OD2-CA 3.29Å; D224-V270 WeakPolarHBondContact OD2-CA 3.37Å; V270-R272 HydrophobicContact CG1-CG 4.02Å | ||
| 271 | I | 86.1 | Confident | 83.3 | Confident | 34 Ų | 34 | 101.3 Ų | 101.3 | 17% | 0.174 | 52% | 0.521 | C | S | . | . | trans | -96.9 | 122.2 | 174.4 | -60.8 | 168.4 | 0 | 0 | 0 | 108.3 | D224 I231 A233 V269 | D224-I271 PolarHBondContact OD2-N 3.29Å; I231-I271 HydrophobicContact CG2-CD1 4.44Å; A233-I271 HydrophobicContact CB-CD1 3.67Å; A233-I271 HydrophobicContact CB-CG1 4.14Å; V269-I271 HydrophobicContact CG1-CG1 4.49Å | ||
| 272 | R | 83.3 | Confident | 83.4 | Confident | 202 Ų | 202 | 103.6 Ų | 103.6 | 76% | 0.762 | 50% | 0.5 | S | S | * | . | trans | -124.6 | 144.2 | 171 | -59.5 | -170.9 | -179.6 | -167.2 | -0.7 | 108.4 | V270 | V270-R272 HydrophobicContact CG1-CG 4.02Š| ||
| 273 | L | 72.2 | Confident | 83.3 | Confident | 202 Ų | 202 | 104.5 Ų | 104.5 | 100% | 1.058 | 51% | 0.506 | S | S | * | . | trans | -80.4 | 0 | 168 | -65.8 | 173.2 | 0 | 0 | 0 | 110.1 | P227 | P227-L273 HydrophobicContact CB-CD1 4.33Å; P227-L273 HydrophobicContact CG-CD1 4.36Å; P227-L273 HydrophobicContact CG-CG 4.16Å |
Retrieved 273 of 273 residues in 135 ms
(Link to these results)