| 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 | 39.2 | Very low | 71.1 | Confident | 243 Ų | 243 | 119.4 Ų | 119.4 | 100% | 1.197 | 61% | 0.61 | S | S | * | * | 0 | 98.1 | 0 | -87.5 | 168 | 164.6 | 0 | 0 | 106.9 | T3 | M1-T3 PolarHBondContact O-N 2.73Š| |||
| 2 | G | 46.3 | Very low | 73.2 | Confident | 76 Ų | 76 | 110 Ų | 110 | 78% | 0.784 | 56% | 0.562 | S | S | * | * | trans | -70.1 | 122.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | R4 | G2-R4 PolarHBondContact O-N 3.01Š| ||
| 3 | T | 50.9 | Low | 74.9 | Confident | 95 Ų | 95 | 104.5 Ų | 104.5 | 58% | 0.583 | 53% | 0.531 | S | S | * | . | trans | -63.8 | 130.2 | 173.6 | 39.7 | 0 | 0 | 0 | 0 | 108.4 | M1 D5 D6 | M1-T3 PolarHBondContact O-N 2.73Å; T3-D5 PolarHBondContact O-N 3.22Å; T3-D6 PolarHBondContact O-N 3Å | ||
| 4 | R | 56.9 | Low | 76.5 | Confident | 232 Ų | 232 | 97.1 Ų | 97.1 | 88% | 0.875 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | -55.1 | -11.2 | -179.2 | -75.4 | 179.1 | 174.2 | 166.7 | -3 | 114.6 | G2 D6 E7 | G2-R4 PolarHBondContact O-N 3.01Å; R4-D6 PolarHBondContact O-N 3.13Å; R4-E7 PolarHBondContact O-N 3.35Å |
| 5 | D | 58.8 | Low | 77.8 | Confident | 135 Ų | 135 | 90.6 Ų | 90.6 | 72% | 0.722 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -68.2 | -8.5 | 177 | -70.1 | -24.4 | 0 | 0 | 0 | 114.6 | T3 | T3-D5 PolarHBondContact O-N 3.22Š|
| 6 | D | 66.6 | Low | 78.9 | Confident | 101 Ų | 101 | 84.9 Ų | 84.9 | 54% | 0.54 | 43% | 0.432 | S | S | . | . | G | 310 helix | trans | -94.2 | -8.7 | 176.1 | -75.3 | -39.2 | 0 | 0 | 0 | 114.7 | T3 R4 Y8 K61 | T3-D6 PolarHBondContact O-N 3Å; R4-D6 PolarHBondContact O-N 3.13Å; D6-Y8 WeakPolarHBondContact O-CD1 3.49Å; D6-K61 IonicContact OD1-NZ 3.69Å; D6-K61 PolarHBondContact OD1-NZ 3.46Å |
| 7 | E | 85.5 | Confident | 79.9 | Confident | 157 Ų | 157 | 79.9 Ų | 79.9 | 73% | 0.734 | 41% | 0.407 | S | S | * | . | trans | -84.2 | 120.4 | 177.5 | -163.6 | 169.8 | -171.9 | 0 | 0 | 110.2 | R4 | R4-E7 PolarHBondContact O-N 3.35Š| ||
| 8 | Y | 91.8 | Very high | 80.7 | Confident | 100 Ų | 100 | 75.5 Ų | 75.5 | 39% | 0.392 | 38% | 0.384 | S | S | . | . | trans | -138.8 | 145.1 | 177.1 | 56.6 | -93 | 0 | 0 | 0 | 110.3 | D6 Y10 L11 K61 | D6-Y8 WeakPolarHBondContact O-CD1 3.49Å; Y8-Y10 WeakPolarHBondContact CD2-O 3.27Å; Y8-L11 HydrophobicContact CD2-CB 4.12Å; Y8-L11 HydrophobicContact CE2-CB 3.63Å; Y8-L11 HydrophobicContact CE2-CD1 4.37Å; Y8-L11 HydrophobicContact CE2-CG 4.42Å; Y8-K61 HydrophobicContact CD1-CB 4.06Å; Y8-K61 HydrophobicContact CD1-CD 3.54Å; Y8-K61 HydrophobicContact CD1-CG 4.45Å; Y8-K61 HydrophobicContact CD2-CB 4.37Å; Y8-K61 HydrophobicContact CE1-CD 3.84Å; Y8-K61 HydrophobicContact CG-CB 3.83Å; Y8-K61 HydrophobicContact CG-CD 4.21Å | ||
| 9 | D | 94 | Very high | 81.4 | Confident | 73 Ų | 73 | 72.5 Ų | 72.5 | 39% | 0.39 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -79.3 | -34.1 | 174.3 | -63.4 | -95.2 | 0 | 0 | 0 | 111.1 | K58 T59 | D9-K58 HydrophobicContact CB-CB 4.18Å; D9-K58 HydrophobicContact CB-CD 3.95Å; D9-K58 VanDerWaalsContact CG-CD 3.42Å; D9-K58 VanDerWaalsContact OD1-CD 3.26Å; D9-K58 WeakPolarHBondContact OD1-CD 3.36Å; D9-K58 IonicContact OD1-NZ 2.89Å; D9-K58 PolarHBondContact OD1-NZ 3.32Å; D9-K58 WeakPolarHBondContact OD2-CA 3.21Å; D9-T59 PolarHBondContact N-O 3.48Å; D9-T59 PolarHBondContact OD2-N 3.34Å |
| 10 | Y | 95.9 | Very high | 82 | Confident | 28 Ų | 28 | 70.8 Ų | 70.8 | 11% | 0.11 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 142.9 | -176.9 | -62.3 | -90.6 | 0 | 0 | 0 | 111.7 | Y8 F12 K58 T59 I60 K61 Y173 V176 Q180 | Y8-Y10 WeakPolarHBondContact CD2-O 3.27Å; Y10-F12 AromaticContact CD1-CE1 3.97Å; Y10-F12 HydrophobicContact CD1-CE1 3.97Å; Y10-F12 AromaticContact CD1-CZ 3.9Å; Y10-F12 HydrophobicContact CD1-CZ 3.9Å; Y10-F12 HydrophobicContact CG-CE1 4.22Å; Y10-F12 AromaticContact CG-CZ 3.93Å; Y10-F12 HydrophobicContact CG-CZ 3.93Å; Y10-K58 HydrophobicContact CD2-CB 4.24Å; Y10-K58 HydrophobicContact CE2-CB 4.11Å; Y10-K58 HydrophobicContact CE2-CD 4.37Å; Y10-K58 HydrophobicContact CE2-CG 4.11Å; Y10-T59 PolarHBondContact N-O 3.44Å; Y10-I60 HydrophobicContact CD2-CG1 4.48Å; Y10-K61 PolarHBondContact O-N 2.95Å; Y10-Y173 HydrophobicContact CD2-CD2 4.04Å; Y10-Y173 HydrophobicContact CD2-CE2 4.03Å; Y10-Y173 AromaticContact CE2-CD2 3.9Å; Y10-Y173 HydrophobicContact CE2-CD2 3.9Å; Y10-Y173 AromaticContact CE2-CE2 3.47Å; Y10-Y173 HydrophobicContact CE2-CE2 3.47Å; Y10-Y173 VanDerWaalsContact CE2-CE2 3.47Å; Y10-Y173 AromaticContact CZ-CE2 3.82Å; Y10-V176 HydrophobicContact CD1-CG1 4.1Å; Y10-V176 HydrophobicContact CE1-CG1 3.95Å; Y10-Q180 PolarHBondContact OH-OE1 2.95Å |
| 11 | L | 95.7 | Very high | 82.5 | Confident | 73 Ų | 73 | 70 Ų | 70 | 38% | 0.382 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 114.1 | 172.3 | -175 | 69.7 | 0 | 0 | 0 | 109.1 | Y8 K61 Q63 | Y8-L11 HydrophobicContact CD2-CB 4.12Å; Y8-L11 HydrophobicContact CE2-CB 3.63Å; Y8-L11 HydrophobicContact CE2-CD1 4.37Å; Y8-L11 HydrophobicContact CE2-CG 4.42Å; L11-K61 WeakPolarHBondContact CA-O 3.41Å; L11-K61 HydrophobicContact CD1-CB 3.91Å; L11-K61 HydrophobicContact CD1-CD 4.22Å; L11-K61 HydrophobicContact CD1-CG 3.96Å; L11-Q63 HydrophobicContact CD1-CG 3.77Å; L11-Q63 HydrophobicContact CG-CG 4.44Å |
| 12 | F | 96.6 | Very high | 85.3 | Confident | 7 Ų | 7 | 58.4 Ų | 58.4 | 3% | 0.031 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 123 | -179 | -64.1 | -25.1 | 0 | 0 | 0 | 111.5 | Y10 I60 K61 A62 Q63 V85 L169 I172 V176 | Y10-F12 AromaticContact CD1-CE1 3.97Å; Y10-F12 HydrophobicContact CD1-CE1 3.97Å; Y10-F12 AromaticContact CD1-CZ 3.9Å; Y10-F12 HydrophobicContact CD1-CZ 3.9Å; Y10-F12 HydrophobicContact CG-CE1 4.22Å; Y10-F12 AromaticContact CG-CZ 3.93Å; Y10-F12 HydrophobicContact CG-CZ 3.93Å; F12-I60 HydrophobicContact CB-CG2 4.46Å; F12-I60 HydrophobicContact CD2-CD1 4.49Å; F12-I60 HydrophobicContact CD2-CG2 3.32Å; F12-I60 HydrophobicContact CE2-CD1 3.89Å; F12-I60 HydrophobicContact CE2-CG1 4.2Å; F12-I60 HydrophobicContact CE2-CG2 3.67Å; F12-I60 HydrophobicContact CG-CG2 4.04Å; F12-K61 PolarHBondContact N-O 3.1Å; F12-A62 CarbonylContact O-C 3.59Å; F12-A62 WeakPolarHBondContact O-CA 3.18Å; F12-Q63 PolarHBondContact O-N 3.28Å; F12-V85 HydrophobicContact CB-CG2 3.8Å; F12-V85 HydrophobicContact CD1-CG2 4.07Å; F12-V85 HydrophobicContact CG-CG2 4.12Å; F12-L169 HydrophobicContact CB-CD2 4.07Å; F12-L169 HydrophobicContact CD2-CD2 3.98Å; F12-I172 HydrophobicContact CD1-CG2 3.86Å; F12-I172 HydrophobicContact CD2-CB 4.13Å; F12-I172 HydrophobicContact CD2-CG2 3.67Å; F12-I172 HydrophobicContact CE1-CG2 3.87Å; F12-I172 HydrophobicContact CE2-CB 4.11Å; F12-I172 HydrophobicContact CE2-CG2 3.68Å; F12-I172 HydrophobicContact CG-CG2 3.79Å; F12-I172 HydrophobicContact CZ-CG2 3.8Å; F12-V176 HydrophobicContact CE1-CB 4.4Å; F12-V176 HydrophobicContact CE1-CG1 4.4Å; F12-V176 HydrophobicContact CE1-CG2 4.11Å; F12-V176 HydrophobicContact CZ-CB 4.39Å; F12-V176 HydrophobicContact CZ-CG2 4.39Å |
| 13 | K | 96 | Very high | 87.6 | Confident | 38 Ų | 38 | 55.4 Ų | 55.4 | 17% | 0.165 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 118.7 | 171.4 | -179.8 | 173.6 | 174.7 | -171.7 | 0 | 110.1 | Q63 Y80 R82 A84 V85 G86 | K13-Q63 WeakPolarHBondContact CA-O 3.46Å; K13-Y80 WeakPolarHBondContact CE-O 3.19Å; K13-Y80 PolarHBondContact NZ-O 3.18Å; K13-R82 PolarHBondContact NZ-O 3.05Å; K13-A84 HydrophobicContact CG-CB 4.35Å; K13-A84 WeakPolarHBondContact O-CA 3.12Å; K13-V85 WeakPolarHBondContact O-CG2 3.49Å; K13-V85 PolarHBondContact O-N 3.31Å; K13-G86 PolarHBondContact O-N 3.48Å |
| 14 | V | 96.8 | Very high | 89.8 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 135 | 178.4 | -179.2 | 0 | 0 | 0 | 0 | 109.7 | Q63 I64 W65 G86 L88 L169 I172 | V14-Q63 PolarHBondContact N-O 2.98Å; V14-I64 CarbonylContact O-C 3.58Å; V14-I64 VanDerWaalsContact O-CA 3.31Å; V14-I64 WeakPolarHBondContact O-CA 3.35Å; V14-W65 PolarHBondContact O-N 3.02Å; V14-G86 VanDerWaalsContact CA-O 3.28Å; V14-G86 WeakPolarHBondContact CA-O 3.33Å; V14-L88 HydrophobicContact CG1-CD1 3.38Å; V14-L169 HydrophobicContact CG2-CD2 3.98Å; V14-I172 HydrophobicContact CG2-CD1 4.19Å |
| 15 | V | 95.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 140.2 | 177.8 | -63.4 | 0 | 0 | 0 | 0 | 111 | I17 W65 Y81 A84 G86 A87 L88 L109 | V15-I17 HydrophobicContact CB-CG2 4.48Å; V15-I17 HydrophobicContact CG2-CG2 4.19Å; V15-W65 HydrophobicContact CG1-CB 4.21Å; V15-Y81 HydrophobicContact CG1-CD1 4.42Å; V15-Y81 HydrophobicContact CG2-CD1 4.08Å; V15-Y81 HydrophobicContact CG2-CE1 4.36Å; V15-A84 HydrophobicContact CG1-CB 3.87Å; V15-A84 HydrophobicContact CG2-CB 4.24Å; V15-G86 PolarHBondContact N-O 2.83Å; V15-A87 HydrophobicContact CG2-CB 3.68Å; V15-A87 CarbonylContact O-C 3.31Å; V15-A87 VanDerWaalsContact O-CA 3.31Å; V15-A87 WeakPolarHBondContact O-CA 3.41Å; V15-L88 PolarHBondContact O-N 2.86Å; V15-L109 HydrophobicContact CG2-CD1 4.3Å |
| 16 | L | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 122.7 | 168.7 | -49.8 | -178.3 | 0 | 0 | 0 | 108.5 | K24 L28 I64 W65 D66 T67 L88 F165 | L16-K24 HydrophobicContact CB-CB 4.14Å; L16-K24 HydrophobicContact CB-CD 4.17Å; L16-K24 HydrophobicContact CB-CG 4.43Å; L16-K24 HydrophobicContact CD1-CB 4.31Å; L16-K24 WeakPolarHBondContact CD1-O 3.44Å; L16-L28 HydrophobicContact CD1-CB 3.88Å; L16-I64 HydrophobicContact CD1-CG2 4.11Å; L16-I64 HydrophobicContact CD2-CG2 4.04Å; L16-I64 HydrophobicContact CG-CG2 3.86Å; L16-W65 PolarHBondContact N-O 3.08Å; L16-D66 HydrophobicContact CD1-CB 4.17Å; L16-T67 PolarHBondContact O-N 3.3Å; L16-T67 PolarHBondContact O-OG1 3.49Å; L16-L88 HydrophobicContact CD2-CB 3.69Å; L16-L88 HydrophobicContact CD2-CD1 3.97Å; L16-L88 HydrophobicContact CD2-CD2 3.86Å; L16-L88 HydrophobicContact CD2-CG 4.06Å; L16-F165 HydrophobicContact CD2-CE1 4.05Å; L16-F165 HydrophobicContact CD2-CZ 4.01Å |
| 17 | I | 94.7 | Very high | 95 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 160.5 | -179.1 | 63.9 | 170.1 | 0 | 0 | 0 | 110.9 | V15 Y81 L88 L89 V90 W105 L109 | V15-I17 HydrophobicContact CB-CG2 4.48Å; V15-I17 HydrophobicContact CG2-CG2 4.19Å; I17-Y81 HydrophobicContact CG2-CE1 3.44Å; I17-Y81 VanDerWaalsContact CG2-CE1 3.44Å; I17-L88 PolarHBondContact N-O 3.4Å; I17-L89 HydrophobicContact CD1-CB 4.29Å; I17-L89 HydrophobicContact CD1-CD1 3.84Å; I17-L89 HydrophobicContact CG1-CB 4.11Å; I17-L89 HydrophobicContact CG1-CD1 3.73Å; I17-L89 HydrophobicContact CG1-CG 4.5Å; I17-V90 PolarHBondContact O-N 3.29Å; I17-W105 HydrophobicContact CB-CE3 4.19Å; I17-W105 HydrophobicContact CD1-CB 4.45Å; I17-L109 HydrophobicContact CD1-CB 3.96Å; I17-L109 HydrophobicContact CD1-CD1 4.26Å; I17-L109 HydrophobicContact CD1-CD2 3.86Å; I17-L109 HydrophobicContact CD1-CG 4.25Å |
| 18 | G | 95.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | S | Bend | trans | 131.6 | 170.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112 | K24 G69 V90 W105 | G18-K24 PolarHBondContact O-NZ 2.83Å; G18-G69 WeakPolarHBondContact O-CA 3.49Å; G18-V90 WeakPolarHBondContact CA-O 3.19Å; G18-W105 VanDerWaalsContact C-CE2 3.45Å; G18-W105 WeakPolarHBondContact O-CZ2 3.28Å |
| 19 | D | 94.2 | Very high | 95.7 | Very high | 18 Ų | 18 | 19 Ų | 19 | 10% | 0.096 | 12% | 0.119 | C | C | . | . | trans | -58.5 | 160.7 | -174.3 | -82.6 | 8.5 | 0 | 0 | 0 | 113.7 | V22 K24 T98 N101 W105 | D19-V22 HydrophobicContact CB-CG1 3.83Å; D19-V22 VanDerWaalsContact O-CG2 3.25Å; D19-V22 WeakPolarHBondContact O-CG2 3.19Å; D19-K24 PolarHBondContact O-NZ 3.45Å; D19-T98 HydrophobicContact CB-CG2 3.98Å; D19-N101 PolarHBondContact OD2-ND2 2.92Å; D19-W105 PolarHBondContact OD1-NE1 3.44Å | ||
| 20 | S | 92.9 | Very high | 95.9 | Very high | 39 Ų | 39 | 17.5 Ų | 17.5 | 27% | 0.273 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 139 | 170.3 | -165.9 | 0 | 0 | 0 | 0 | 110.9 | V22 S42 G69 | S20-V22 VanDerWaalsContact C-N 3.34Å; S20-V22 PolarHBondContact O-N 3.05Å; S20-S42 PolarHBondContact OG-OG 3.41Å; S20-G69 PolarHBondContact N-O 2.94Å; S20-G69 VanDerWaalsContact N-O 3.08Å |
| 21 | G | 93.2 | Very high | 95.9 | Very high | 54 Ų | 54 | 16.3 Ų | 16.3 | 56% | 0.557 | 10% | 0.103 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82 | -0.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | G23 K125 | G21-G23 PolarHBondContact O-N 3.46Å; G21-K125 WeakPolarHBondContact O-CE 3.31Å; G21-K125 PolarHBondContact O-NZ 3.38Å |
| 22 | V | 96.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -70.3 | -16.4 | 175.3 | -56.5 | 0 | 0 | 0 | 0 | 113.3 | D19 S20 K24 V90 D92 T98 N124 | D19-V22 HydrophobicContact CB-CG1 3.83Å; D19-V22 VanDerWaalsContact O-CG2 3.25Å; D19-V22 WeakPolarHBondContact O-CG2 3.19Å; S20-V22 VanDerWaalsContact C-N 3.34Å; S20-V22 PolarHBondContact O-N 3.05Å; V22-K24 HydrophobicContact CG2-CD 4.28Å; V22-K24 HydrophobicContact CG2-CG 3.59Å; V22-V90 HydrophobicContact CB-CG1 4.27Å; V22-V90 HydrophobicContact CG2-CB 3.91Å; V22-V90 HydrophobicContact CG2-CG1 3.8Å; V22-D92 HydrophobicContact CB-CB 4.37Å; V22-D92 HydrophobicContact CG1-CB 4.24Å; V22-T98 HydrophobicContact CG1-CG2 3.76Å; V22-N124 PolarHBondContact O-ND2 2.93Å |
| 23 | G | 96.3 | Very high | 95.7 | Very high | 13 Ų | 13 | 20 Ų | 20 | 13% | 0.134 | 12% | 0.115 | C | C | . | . | S | Bend | trans | 103 | 21.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | G21 S25 N26 L27 | G21-G23 PolarHBondContact O-N 3.46Å; G23-S25 PolarHBondContact O-N 3.22Å; G23-N26 PolarHBondContact O-N 3.01Å; G23-L27 PolarHBondContact O-N 3.31Å |
| 24 | K | 96.7 | Very high | 95.7 | Very high | 8 Ų | 8 | 23.7 Ų | 23.7 | 4% | 0.035 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -53.8 | -50.2 | 178.1 | -56.7 | -172.3 | -60.8 | -74.7 | 0 | 113.5 | L16 G18 D19 V22 N26 L27 L28 D66 T67 V90 | L16-K24 HydrophobicContact CB-CB 4.14Å; L16-K24 HydrophobicContact CB-CD 4.17Å; L16-K24 HydrophobicContact CB-CG 4.43Å; L16-K24 HydrophobicContact CD1-CB 4.31Å; L16-K24 WeakPolarHBondContact CD1-O 3.44Å; G18-K24 PolarHBondContact O-NZ 2.83Å; D19-K24 PolarHBondContact O-NZ 3.45Å; V22-K24 HydrophobicContact CG2-CD 4.28Å; V22-K24 HydrophobicContact CG2-CG 3.59Å; K24-N26 VanDerWaalsContact C-N 3.29Å; K24-N26 PolarHBondContact O-N 2.91Å; K24-L27 WeakPolarHBondContact O-CB 3.32Å; K24-L27 PolarHBondContact O-N 3.29Å; K24-L27 VanDerWaalsContact O-N 3.12Å; K24-L28 PolarHBondContact O-N 3.04Å; K24-D66 WeakPolarHBondContact CB-OD1 3.26Å; K24-T67 WeakPolarHBondContact CE-O 3.41Å; K24-V90 HydrophobicContact CG-CB 4.06Å; K24-V90 HydrophobicContact CG-CG2 4.1Å |
| 25 | S | 95.7 | Very high | 95.6 | Very high | 23 Ų | 23 | 28.5 Ų | 28.5 | 16% | 0.161 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.6 | -37.1 | 178.5 | -35.7 | 0 | 0 | 0 | 0 | 112.3 | G23 L28 S29 T43 D66 | G23-S25 PolarHBondContact O-N 3.22Å; S25-L28 WeakPolarHBondContact O-CB 3.48Å; S25-L28 PolarHBondContact O-N 2.85Å; S25-S29 PolarHBondContact O-N 3.16Å; S25-S29 PolarHBondContact O-OG 3.25Å; S25-T43 PolarHBondContact OG-OG1 3.38Å; S25-D66 WeakPolarHBondContact CA-OD2 3.26Å; S25-D66 VanDerWaalsContact CB-OD2 3.27Å; S25-D66 WeakPolarHBondContact CB-OD2 3.32Å; S25-D66 PolarHBondContact OG-OD2 2.99Å |
| 26 | N | 97.1 | Very high | 95.6 | Very high | 10 Ų | 10 | 31.6 Ų | 31.6 | 5% | 0.053 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -70.9 | -34.2 | 175.7 | -91 | -52.2 | 0 | 0 | 0 | 112.1 | G23 K24 S29 R30 F36 N37 S40 A155 | G23-N26 PolarHBondContact O-N 3.01Å; K24-N26 VanDerWaalsContact C-N 3.29Å; K24-N26 PolarHBondContact O-N 2.91Å; N26-S29 WeakPolarHBondContact CA-OG 3.37Å; N26-S29 PolarHBondContact O-OG 3.11Å; N26-S29 VanDerWaalsContact O-OG 3.1Å; N26-R30 WeakPolarHBondContact O-CB 3.28Å; N26-R30 PolarHBondContact O-N 2.71Å; N26-F36 HydrophobicContact CB-CD2 3.96Å; N26-F36 HydrophobicContact CB-CE2 4.05Å; N26-F36 WeakPolarHBondContact OD1-CD2 3.35Å; N26-N37 PolarHBondContact ND2-O 3.39Å; N26-N37 PolarHBondContact OD1-N 3.26Å; N26-N37 PolarHBondContact OD1-O 3.32Å; N26-S40 PolarHBondContact ND2-OG 2.84Å; N26-S40 VanDerWaalsContact ND2-OG 3.09Å; N26-A155 HydrophobicContact CB-CB 3.81Å |
| 27 | L | 97.6 | Very high | 95.4 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.7 | -43.5 | 169.9 | -73.8 | 170.2 | 0 | 0 | 0 | 110.8 | G23 K24 R30 F31 V90 V122 N124 A155 V161 | G23-L27 PolarHBondContact O-N 3.31Å; K24-L27 WeakPolarHBondContact O-CB 3.32Å; K24-L27 PolarHBondContact O-N 3.29Å; K24-L27 VanDerWaalsContact O-N 3.12Å; L27-R30 PolarHBondContact O-N 2.93Å; L27-F31 WeakPolarHBondContact O-CB 3.45Å; L27-F31 PolarHBondContact O-N 3.3Å; L27-V90 HydrophobicContact CD1-CG1 3.79Å; L27-V90 HydrophobicContact CD1-CG2 4.08Å; L27-V122 HydrophobicContact CD1-CG1 4.23Å; L27-N124 HydrophobicContact CD1-CB 4.26Å; L27-A155 HydrophobicContact CD2-CB 4.04Å; L27-A155 HydrophobicContact CG-CB 4.29Å; L27-V161 HydrophobicContact CD2-CB 4.49Å; L27-V161 HydrophobicContact CD2-CG1 4.14Å; L27-V161 HydrophobicContact CD2-CG2 3.73Å |
| 28 | L | 97 | Very high | 95.2 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.4 | -50.2 | 176.4 | -178.1 | 60.2 | 0 | 0 | 0 | 111.6 | L16 K24 S25 F31 T32 E47 A49 I64 D66 | L16-L28 HydrophobicContact CD1-CB 3.88Å; K24-L28 PolarHBondContact O-N 3.04Å; S25-L28 WeakPolarHBondContact O-CB 3.48Å; S25-L28 PolarHBondContact O-N 2.85Å; L28-F31 PolarHBondContact O-N 2.84Å; L28-T32 HydrophobicContact CD1-CG2 3.88Å; L28-T32 WeakPolarHBondContact O-CB 3.4Å; L28-T32 WeakPolarHBondContact O-CG2 3.4Å; L28-T32 PolarHBondContact O-N 2.89Å; L28-T32 PolarHBondContact O-OG1 3.34Å; L28-E47 HydrophobicContact CD2-CB 4.39Å; L28-A49 HydrophobicContact CD1-CB 3.99Å; L28-A49 HydrophobicContact CD2-CB 4.25Å; L28-A49 HydrophobicContact CG-CB 4.25Å; L28-I64 HydrophobicContact CD1-CB 3.64Å; L28-I64 HydrophobicContact CD1-CD1 4.15Å; L28-I64 HydrophobicContact CD1-CG2 3.5Å; L28-I64 VanDerWaalsContact CD1-CG2 3.5Å; L28-D66 HydrophobicContact CD2-CB 3.66Å |
| 29 | S | 95.7 | Very high | 94.8 | Very high | 11 Ų | 11 | 50.4 Ų | 50.4 | 8% | 0.077 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.8 | -40 | 179.4 | 65.8 | 0 | 0 | 0 | 0 | 111.8 | S25 N26 F31 T32 R33 N34 E35 | S25-S29 PolarHBondContact O-N 3.16Å; S25-S29 PolarHBondContact O-OG 3.25Å; N26-S29 WeakPolarHBondContact CA-OG 3.37Å; N26-S29 PolarHBondContact O-OG 3.11Å; N26-S29 VanDerWaalsContact O-OG 3.1Å; S29-F31 PolarHBondContact O-N 3.12Å; S29-T32 PolarHBondContact O-N 3.12Å; S29-R33 CarbonylContact O-C 3.59Å; S29-R33 WeakPolarHBondContact O-CA 3.47Å; S29-R33 PolarHBondContact O-N 3.34Å; S29-N34 PolarHBondContact O-N 3.48Å; S29-N34 VanDerWaalsContact O-N 3.15Å; S29-E35 CarbonylContact C-O 3.57Å; S29-E35 VanDerWaalsContact C-O 3.31Å; S29-E35 WeakPolarHBondContact CB-O 3.19Å; S29-E35 PolarHBondContact O-N 3.09Å; S29-E35 PolarHBondContact OG-O 3.22Å |
| 30 | R | 97.4 | Very high | 94.3 | Very high | 41 Ų | 41 | 52 Ų | 52 | 16% | 0.155 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 177.9 | 178.4 | 59.3 | 71.5 | -167.3 | 6.2 | 110.8 | N26 L27 N34 E35 A155 L156 V161 | N26-R30 WeakPolarHBondContact O-CB 3.28Å; N26-R30 PolarHBondContact O-N 2.71Å; L27-R30 PolarHBondContact O-N 2.93Å; R30-N34 WeakPolarHBondContact CD-OD1 3.47Å; R30-N34 VanDerWaalsContact NH1-C 3.32Å; R30-N34 PolarHBondContact NH1-O 3.04Å; R30-N34 PolarHBondContact NH1-OD1 3.33Å; R30-N34 WeakPolarHBondContact O-CA 3.43Å; R30-N34 PolarHBondContact O-N 3.13Å; R30-N34 VanDerWaalsContact O-N 3.12Å; R30-E35 WeakPolarHBondContact CA-O 3.23Å; R30-E35 PolarHBondContact N-O 3.47Å; R30-E35 VanDerWaalsContact N-O 3.09Å; R30-A155 PolarHBondContact NE-O 3.36Å; R30-A155 PolarHBondContact NH2-O 3.12Å; R30-L156 PolarHBondContact NH2-O 3.19Å; R30-L156 VanDerWaalsContact NH2-O 3.09Å; R30-V161 HydrophobicContact CB-CG1 4.1Å; R30-V161 HydrophobicContact CG-CB 4.03Å; R30-V161 HydrophobicContact CG-CG1 3.81Å; R30-V161 HydrophobicContact CG-CG2 3.96Å |
| 31 | F | 96.9 | Very high | 93.9 | Very high | 3 Ų | 3 | 59.1 Ų | 59.1 | 1% | 0.013 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.7 | -45.6 | 176.2 | -178.8 | -112.2 | 0 | 0 | 0 | 112 | L27 L28 S29 R51 I53 I64 V161 F165 | L27-F31 WeakPolarHBondContact O-CB 3.45Å; L27-F31 PolarHBondContact O-N 3.3Å; L28-F31 PolarHBondContact O-N 2.84Å; S29-F31 PolarHBondContact O-N 3.12Å; F31-R51 HydrophobicContact CD1-CB 4.43Å; F31-R51 HydrophobicContact CE1-CB 3.81Å; F31-R51 HydrophobicContact CE1-CG 4.13Å; F31-R51 HydrophobicContact CZ-CB 4.42Å; F31-R51 HydrophobicContact CZ-CG 4.31Å; F31-R51 VanDerWaalsContact O-CD 3.29Å; F31-R51 WeakPolarHBondContact O-CD 3.43Å; F31-R51 PolarHBondContact O-NH1 2.86Å; F31-I53 HydrophobicContact CZ-CG2 4.11Å; F31-I64 HydrophobicContact CD1-CD1 3.49Å; F31-I64 VanDerWaalsContact CD1-CD1 3.49Å; F31-I64 HydrophobicContact CE1-CD1 3.54Å; F31-V161 HydrophobicContact CB-CG1 4.08Å; F31-F165 HydrophobicContact CB-CD2 3.54Å; F31-F165 HydrophobicContact CB-CE2 3.48Å; F31-F165 VanDerWaalsContact CB-CE2 3.48Å; F31-F165 HydrophobicContact CB-CG 4.31Å; F31-F165 HydrophobicContact CB-CZ 4.21Å; F31-F165 HydrophobicContact CD1-CB 4.23Å; F31-F165 AromaticContact CD1-CD1 3.98Å; F31-F165 HydrophobicContact CD1-CD1 3.98Å; F31-F165 AromaticContact CD1-CD2 3.89Å; F31-F165 HydrophobicContact CD1-CD2 3.89Å; F31-F165 HydrophobicContact CD1-CE1 4.3Å; F31-F165 HydrophobicContact CD1-CE2 4.21Å; F31-F165 AromaticContact CD1-CG 3.77Å; F31-F165 HydrophobicContact CD1-CG 3.77Å; F31-F165 HydrophobicContact CD1-CZ 4.41Å; F31-F165 HydrophobicContact CD2-CB 3.63Å; F31-F165 AromaticContact CD2-CD2 3.49Å; F31-F165 HydrophobicContact CD2-CD2 3.49Å; F31-F165 VanDerWaalsContact CD2-CD2 3.49Å; F31-F165 HydrophobicContact CD2-CE2 4.34Å; F31-F165 AromaticContact CD2-CG 3.7Å; F31-F165 HydrophobicContact CD2-CG 3.7Å; F31-F165 HydrophobicContact CE1-CB 3.97Å; F31-F165 HydrophobicContact CE1-CD1 4.09Å; F31-F165 HydrophobicContact CE1-CD2 4.47Å; F31-F165 AromaticContact CE1-CG 3.93Å; F31-F165 HydrophobicContact CE1-CG 3.93Å; F31-F165 HydrophobicContact CE2-CB 3.34Å; F31-F165 HydrophobicContact CE2-CD2 4.15Å; F31-F165 AromaticContact CE2-CG 3.89Å; F31-F165 HydrophobicContact CE2-CG 3.89Å; F31-F165 HydrophobicContact CG-CB 4.08Å; F31-F165 HydrophobicContact CG-CD1 4.29Å; F31-F165 AromaticContact CG-CD2 3.34Å; F31-F165 HydrophobicContact CG-CD2 3.34Å; F31-F165 AromaticContact CG-CE2 3.77Å; F31-F165 HydrophobicContact CG-CE2 3.77Å; F31-F165 AromaticContact CG-CG 3.65Å; F31-F165 HydrophobicContact CG-CG 3.65Å; F31-F165 HydrophobicContact CG-CZ 4.4Å; F31-F165 HydrophobicContact CZ-CB 3.53Å; F31-F165 HydrophobicContact CZ-CD1 4.5Å; F31-F165 AromaticContact CZ-CG 4Å; F31-F165 HydrophobicContact CZ-CG 4Å |
| 32 | T | 94.8 | Very high | 93.6 | Very high | 30 Ų | 30 | 59.5 Ų | 59.5 | 18% | 0.184 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -84.4 | -30.1 | -170 | 56 | 0 | 0 | 0 | 0 | 114.2 | L28 S29 A49 R51 I64 | L28-T32 HydrophobicContact CD1-CG2 3.88Å; L28-T32 WeakPolarHBondContact O-CB 3.4Å; L28-T32 WeakPolarHBondContact O-CG2 3.4Å; L28-T32 PolarHBondContact O-N 2.89Å; L28-T32 PolarHBondContact O-OG1 3.34Å; S29-T32 PolarHBondContact O-N 3.12Å; T32-A49 HydrophobicContact CG2-CB 3.79Å; T32-R51 HydrophobicContact CG2-CB 4.34Å; T32-I64 HydrophobicContact CG2-CD1 4.4Å |
| 33 | R | 93.9 | Very high | 92.8 | Very high | 127 Ų | 127 | 60.1 Ų | 60.1 | 48% | 0.479 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -130.9 | -2.2 | -172.7 | -60.3 | -173.1 | -61.2 | -83 | 6.1 | 114.2 | S29 E35 | S29-R33 CarbonylContact O-C 3.59Å; S29-R33 WeakPolarHBondContact O-CA 3.47Å; S29-R33 PolarHBondContact O-N 3.34Å; R33-E35 HydrophobicContact CB-CB 4.28Å; R33-E35 HydrophobicContact CB-CG 3.9Å; R33-E35 IonicContact CZ-OE2 2.8Å; R33-E35 IonicContact NE-OE2 2.99Å; R33-E35 PolarHBondContact NE-OE2 2.93Å; R33-E35 IonicContact NH2-OE2 3.07Å; R33-E35 PolarHBondContact O-N 3.13Å |
| 34 | N | 95 | Very high | 91.9 | Very high | 115 Ų | 115 | 66 Ų | 66 | 62% | 0.615 | 33% | 0.33 | S | S | * | . | S | Bend | trans | 55 | 38.3 | -170.1 | -163.4 | 24.6 | 0 | 0 | 0 | 113.2 | S29 R30 | S29-N34 PolarHBondContact O-N 3.48Å; S29-N34 VanDerWaalsContact O-N 3.15Å; R30-N34 WeakPolarHBondContact CD-OD1 3.47Å; R30-N34 VanDerWaalsContact NH1-C 3.32Å; R30-N34 PolarHBondContact NH1-O 3.04Å; R30-N34 PolarHBondContact NH1-OD1 3.33Å; R30-N34 WeakPolarHBondContact O-CA 3.43Å; R30-N34 PolarHBondContact O-N 3.13Å; R30-N34 VanDerWaalsContact O-N 3.12Å |
| 35 | E | 95.6 | Very high | 90.9 | Very high | 102 Ų | 102 | 66.7 Ų | 66.7 | 48% | 0.477 | 34% | 0.339 | S | S | . | . | trans | -114.4 | 146.7 | -179.5 | -71.8 | 172.5 | 178.5 | 0 | 0 | 111.4 | S29 R30 R33 | S29-E35 CarbonylContact C-O 3.57Å; S29-E35 VanDerWaalsContact C-O 3.31Å; S29-E35 WeakPolarHBondContact CB-O 3.19Å; S29-E35 PolarHBondContact O-N 3.09Å; S29-E35 PolarHBondContact OG-O 3.22Å; R30-E35 WeakPolarHBondContact CA-O 3.23Å; R30-E35 PolarHBondContact N-O 3.47Å; R30-E35 VanDerWaalsContact N-O 3.09Å; R33-E35 HydrophobicContact CB-CB 4.28Å; R33-E35 HydrophobicContact CB-CG 3.9Å; R33-E35 IonicContact CZ-OE2 2.8Å; R33-E35 IonicContact NE-OE2 2.99Å; R33-E35 PolarHBondContact NE-OE2 2.93Å; R33-E35 IonicContact NH2-OE2 3.07Å; R33-E35 PolarHBondContact O-N 3.13Å | ||
| 36 | F | 95 | Very high | 90.3 | Very high | 65 Ų | 65 | 67.2 Ų | 67.2 | 29% | 0.285 | 34% | 0.341 | S | S | . | . | trans | -134.6 | 137.5 | 171.8 | 174.9 | -92 | 0 | 0 | 0 | 110 | N26 L38 A155 L156 | N26-F36 HydrophobicContact CB-CD2 3.96Å; N26-F36 HydrophobicContact CB-CE2 4.05Å; N26-F36 WeakPolarHBondContact OD1-CD2 3.35Å; F36-L38 HydrophobicContact CE1-CB 3.97Å; F36-L38 HydrophobicContact CE1-CD1 4.07Å; F36-L38 HydrophobicContact CZ-CD1 4.24Å; F36-A155 HydrophobicContact CD2-CB 4.02Å; F36-A155 WeakPolarHBondContact CD2-O 3.25Å; F36-A155 HydrophobicContact CE2-CB 4.17Å; F36-L156 HydrophobicContact CD1-CD1 3.73Å; F36-L156 HydrophobicContact CE1-CB 4.48Å; F36-L156 HydrophobicContact CE1-CD1 3.27Å; F36-L156 HydrophobicContact CE1-CG 4.47Å; F36-L156 HydrophobicContact CE2-CB 4.06Å; F36-L156 HydrophobicContact CE2-CD1 4.35Å; F36-L156 HydrophobicContact CG-CD1 4.43Å; F36-L156 HydrophobicContact CZ-CB 4.05Å; F36-L156 HydrophobicContact CZ-CD1 3.63Å; F36-L156 HydrophobicContact CZ-CG 4.44Å | ||
| 37 | N | 93 | Very high | 89.9 | Confident | 86 Ų | 86 | 71 Ų | 71 | 46% | 0.46 | 36% | 0.359 | S | S | . | . | trans | -124.2 | 111.5 | 177 | -175.6 | -0.1 | 0 | 0 | 0 | 110.2 | N26 E39 S40 | N26-N37 PolarHBondContact ND2-O 3.39Å; N26-N37 PolarHBondContact OD1-N 3.26Å; N26-N37 PolarHBondContact OD1-O 3.32Å; N37-E39 VanDerWaalsContact C-N 3.26Å; N37-E39 PolarHBondContact O-N 2.81Å; N37-E39 PolarHBondContact OD1-N 2.89Å; N37-S40 WeakPolarHBondContact O-CB 3.32Å; N37-S40 PolarHBondContact O-N 2.94Å | ||
| 38 | L | 89.6 | Confident | 89.5 | Confident | 145 Ų | 145 | 75.8 Ų | 75.8 | 76% | 0.759 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -32.9 | 177.1 | -170.9 | 67.2 | 0 | 0 | 0 | 112 | F36 S40 | F36-L38 HydrophobicContact CE1-CB 3.97Å; F36-L38 HydrophobicContact CE1-CD1 4.07Å; F36-L38 HydrophobicContact CZ-CD1 4.24Å; L38-S40 VanDerWaalsContact C-N 3.29Å; L38-S40 PolarHBondContact O-N 3.42Å |
| 39 | E | 86.5 | Confident | 89.4 | Confident | 165 Ų | 165 | 76.4 Ų | 76.4 | 77% | 0.771 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 23.7 | -179.5 | -58.5 | -173.9 | 168.9 | 0 | 0 | 112.2 | N37 K41 | N37-E39 VanDerWaalsContact C-N 3.26Å; N37-E39 PolarHBondContact O-N 2.81Å; N37-E39 PolarHBondContact OD1-N 2.89Å; E39-K41 PolarHBondContact O-N 2.69Å; E39-K41 VanDerWaalsContact O-N 3.08Å |
| 40 | S | 84.7 | Confident | 89.4 | Confident | 51 Ų | 51 | 79 Ų | 79 | 36% | 0.357 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 117.8 | 178.6 | 64.5 | 0 | 0 | 0 | 0 | 110.5 | N26 N37 L38 | N26-S40 PolarHBondContact ND2-OG 2.84Å; N26-S40 VanDerWaalsContact ND2-OG 3.09Å; N37-S40 WeakPolarHBondContact O-CB 3.32Å; N37-S40 PolarHBondContact O-N 2.94Å; L38-S40 VanDerWaalsContact C-N 3.29Å; L38-S40 PolarHBondContact O-N 3.42Å |
| 41 | K | 84.3 | Confident | 89.3 | Confident | 189 Ų | 189 | 80.4 Ų | 80.4 | 82% | 0.822 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -71.3 | 162 | 174.6 | -65.5 | -177.6 | -178.5 | 176.5 | 0 | 110.1 | E39 T43 | E39-K41 PolarHBondContact O-N 2.69Å; E39-K41 VanDerWaalsContact O-N 3.08Å; K41-T43 PolarHBondContact O-N 2.95Å |
| 42 | S | 86.2 | Confident | 89.2 | Confident | 61 Ų | 61 | 82.7 Ų | 82.7 | 43% | 0.427 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 128.3 | 172.1 | -67.3 | 0 | 0 | 0 | 0 | 110.3 | S20 I44 | S20-S42 PolarHBondContact OG-OG 3.41Å; S42-I44 PolarHBondContact O-N 3.33Å |
| 43 | T | 79.3 | Confident | 89.2 | Confident | 13 Ų | 13 | 81.8 Ų | 81.8 | 8% | 0.08 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -54.6 | 128.3 | 174.2 | -40.5 | 0 | 0 | 0 | 0 | 110 | S25 K41 E47 D66 A68 | S25-T43 PolarHBondContact OG-OG1 3.38Å; K41-T43 PolarHBondContact O-N 2.95Å; T43-E47 HydrophobicContact CG2-CB 4.49Å; T43-E47 HydrophobicContact CG2-CG 3.96Å; T43-D66 PolarHBondContact OG1-OD2 3.13Å; T43-D66 VanDerWaalsContact OG1-OD2 3.06Å; T43-A68 VanDerWaalsContact O-CB 3.28Å; T43-A68 WeakPolarHBondContact O-CB 3.33Å |
| 44 | I | 77.8 | Confident | 89.2 | Confident | 138 Ų | 138 | 81.6 Ų | 81.6 | 71% | 0.708 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -99.7 | 116.8 | 173.1 | -60.2 | 175.3 | 0 | 0 | 0 | 106.9 | S42 V46 | S42-I44 PolarHBondContact O-N 3.33Å; I44-V46 PolarHBondContact O-N 3.48Å |
| 45 | G | 76.2 | Confident | 89.1 | Confident | 21 Ų | 21 | 76.6 Ų | 76.6 | 22% | 0.216 | 39% | 0.394 | C | S | . | . | S | Bend | trans | 74.7 | -118.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A68 | G45-A68 WeakPolarHBondContact O-CB 3.5Å; G45-A68 PolarHBondContact O-N 2.83Å |
| 46 | V | 83.8 | Confident | 89 | Confident | 34 Ų | 34 | 77.6 Ų | 77.6 | 21% | 0.206 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 135.6 | -175.5 | 177.2 | 0 | 0 | 0 | 0 | 110.8 | I44 W65 D66 T67 Y80 | I44-V46 PolarHBondContact O-N 3.48Å; V46-W65 HydrophobicContact CG1-CB 4.23Å; V46-W65 HydrophobicContact CG1-CE3 3.7Å; V46-D66 CarbonylContact C-O 3.47Å; V46-D66 VanDerWaalsContact CA-O 3.24Å; V46-D66 WeakPolarHBondContact CA-O 3.46Å; V46-D66 WeakPolarHBondContact CG1-O 3.4Å; V46-T67 HydrophobicContact CG2-CG2 4.25Å; V46-Y80 HydrophobicContact CB-CE1 3.98Å; V46-Y80 HydrophobicContact CB-CE2 4.14Å; V46-Y80 HydrophobicContact CG1-CD1 4.13Å; V46-Y80 HydrophobicContact CG1-CE1 3.96Å; V46-Y80 HydrophobicContact CG2-CD1 4.18Å; V46-Y80 HydrophobicContact CG2-CD2 3.58Å; V46-Y80 HydrophobicContact CG2-CE1 3.86Å; V46-Y80 HydrophobicContact CG2-CE2 3.19Å; V46-Y80 HydrophobicContact CG2-CG 4.05Å |
| 47 | E | 87.7 | Confident | 88.8 | Confident | 91 Ų | 91 | 77.7 Ų | 77.7 | 43% | 0.425 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 146.2 | 168.6 | -74.2 | -178 | -163.6 | 0 | 0 | 110.5 | L28 T43 W65 D66 | L28-E47 HydrophobicContact CD2-CB 4.39Å; T43-E47 HydrophobicContact CG2-CB 4.49Å; T43-E47 HydrophobicContact CG2-CG 3.96Å; E47-W65 CarbonylContact O-C 3.59Å; E47-W65 WeakPolarHBondContact O-CA 3.21Å; E47-D66 HydrophobicContact CB-CB 4.16Å; E47-D66 PolarHBondContact N-O 2.81Å; E47-D66 PolarHBondContact O-N 3.18Å |
| 48 | F | 90.2 | Very high | 88.9 | Confident | 101 Ų | 101 | 77.2 Ų | 77.2 | 44% | 0.443 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 132.3 | -177.8 | 172.3 | -100.7 | 0 | 0 | 0 | 110 | T50 Q63 W65 | F48-T50 HydrophobicContact CE1-CG2 3.68Å; F48-T50 HydrophobicContact CE2-CG2 4.2Å; F48-T50 HydrophobicContact CZ-CG2 3.36Å; F48-Q63 HydrophobicContact CE2-CB 3.87Å; F48-Q63 HydrophobicContact CE2-CG 3.94Å; F48-Q63 HydrophobicContact CZ-CB 4.42Å; F48-Q63 HydrophobicContact CZ-CG 4Å; F48-W65 HydrophobicContact CB-CE3 4.43Å; F48-W65 AromaticContact CD2-CD2 3.82Å; F48-W65 HydrophobicContact CD2-CD2 3.82Å; F48-W65 AromaticContact CD2-CE2 3.58Å; F48-W65 HydrophobicContact CD2-CE3 4.13Å; F48-W65 HydrophobicContact CD2-CG 4.35Å; F48-W65 HydrophobicContact CD2-CH2 4.13Å; F48-W65 AromaticContact CD2-CZ2 3.78Å; F48-W65 HydrophobicContact CD2-CZ2 3.78Å; F48-W65 HydrophobicContact CD2-CZ3 4.29Å; F48-W65 AromaticContact CD2-NE1 3.91Å; F48-W65 HydrophobicContact CE2-CD2 4.49Å; F48-W65 AromaticContact CE2-CE2 3.82Å; F48-W65 AromaticContact CE2-CZ2 3.86Å; F48-W65 HydrophobicContact CE2-CZ2 3.86Å; F48-W65 AromaticContact CE2-NE1 3.88Å |
| 49 | A | 94.7 | Very high | 89.2 | Confident | 15 Ų | 15 | 71.7 Ų | 71.7 | 12% | 0.124 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 155.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L28 T32 I64 | L28-A49 HydrophobicContact CD1-CB 3.99Å; L28-A49 HydrophobicContact CD2-CB 4.25Å; L28-A49 HydrophobicContact CG-CB 4.25Å; T32-A49 HydrophobicContact CG2-CB 3.79Å; A49-I64 PolarHBondContact N-O 3.42Å; A49-I64 PolarHBondContact O-N 2.85Å |
| 50 | T | 95 | Very high | 89.7 | Confident | 65 Ų | 65 | 63.9 Ų | 63.9 | 40% | 0.399 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 143 | 177.6 | 61.4 | 0 | 0 | 0 | 0 | 111.5 | F48 A62 Q63 | F48-T50 HydrophobicContact CE1-CG2 3.68Å; F48-T50 HydrophobicContact CE2-CG2 4.2Å; F48-T50 HydrophobicContact CZ-CG2 3.36Å; T50-A62 WeakPolarHBondContact CA-O 3.44Å; T50-Q63 HydrophobicContact CG2-CG 4.07Å |
| 51 | R | 94.7 | Very high | 90.2 | Very high | 71 Ų | 71 | 63 Ų | 63 | 27% | 0.268 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 134.5 | 168.7 | -173.6 | 168.4 | 176.9 | -148.8 | -11.2 | 110.3 | F31 T32 A62 E162 | F31-R51 HydrophobicContact CD1-CB 4.43Å; F31-R51 HydrophobicContact CE1-CB 3.81Å; F31-R51 HydrophobicContact CE1-CG 4.13Å; F31-R51 HydrophobicContact CZ-CB 4.42Å; F31-R51 HydrophobicContact CZ-CG 4.31Å; F31-R51 VanDerWaalsContact O-CD 3.29Å; F31-R51 WeakPolarHBondContact O-CD 3.43Å; F31-R51 PolarHBondContact O-NH1 2.86Å; T32-R51 HydrophobicContact CG2-CB 4.34Å; R51-A62 PolarHBondContact N-O 3.37Å; R51-A62 WeakPolarHBondContact O-CB 3.46Å; R51-A62 PolarHBondContact O-N 3.44Å; R51-E162 IonicContact CZ-OE1 3.39Å; R51-E162 IonicContact CZ-OE2 3.4Å; R51-E162 IonicContact NH1-OE1 2.67Å; R51-E162 IonicContact NH1-OE2 2.69Å; R51-E162 PolarHBondContact NH1-OE2 3.07Å; R51-E162 IonicContact NH2-OE1 3.19Å; R51-E162 PolarHBondContact NH2-OE1 2.8Å; R51-E162 IonicContact NH2-OE2 3.57Å; R51-E162 PolarHBondContact NH2-OE2 3.25Å |
| 52 | S | 94.9 | Very high | 90.8 | Very high | 52 Ų | 52 | 54 Ų | 54 | 36% | 0.364 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 136 | 173.4 | -59.3 | 0 | 0 | 0 | 0 | 110.2 | I60 | S52-I60 CarbonylContact C-O 3.55Å; S52-I60 VanDerWaalsContact CA-O 3.27Å; S52-I60 WeakPolarHBondContact CA-O 3.27Å |
| 53 | I | 94.5 | Very high | 91.3 | Very high | 11 Ų | 11 | 53.5 Ų | 53.5 | 6% | 0.056 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 160 | 173.1 | 66.5 | 161.7 | 0 | 0 | 0 | 110.2 | F31 V55 I60 K166 L169 | F31-I53 HydrophobicContact CZ-CG2 4.11Å; I53-V55 HydrophobicContact CD1-CG2 3.74Å; I53-V55 HydrophobicContact CG1-CG2 4.26Å; I53-I60 HydrophobicContact CG1-CB 4.14Å; I53-I60 PolarHBondContact N-O 2.92Å; I53-I60 PolarHBondContact O-N 3.2Å; I53-K166 HydrophobicContact CD1-CG 4.21Å; I53-L169 HydrophobicContact CD1-CB 3.74Å; I53-L169 HydrophobicContact CD1-CD1 3.42Å; I53-L169 VanDerWaalsContact CD1-CD1 3.42Å; I53-L169 HydrophobicContact CD1-CG 4.22Å; I53-L169 HydrophobicContact CG1-CD1 3.97Å |
| 54 | Q | 94.6 | Very high | 92.1 | Very high | 122 Ų | 122 | 52.9 Ų | 52.9 | 57% | 0.57 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 128.3 | 173 | -66 | -63.9 | -30.2 | 0 | 0 | 109.7 | K58 T59 | Q54-K58 WeakPolarHBondContact CA-O 3.35Å; Q54-K58 PolarHBondContact OE1-O 3.21Å; Q54-T59 PolarHBondContact NE2-OG1 2.86Å |
| 55 | V | 93.4 | Very high | 92.9 | Very high | 11 Ų | 11 | 49.1 Ų | 49.1 | 7% | 0.067 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 122.3 | 172.1 | 177.7 | 0 | 0 | 0 | 0 | 107.5 | I53 G57 K58 I60 T170 Y173 | I53-V55 HydrophobicContact CD1-CG2 3.74Å; I53-V55 HydrophobicContact CG1-CG2 4.26Å; V55-G57 PolarHBondContact O-N 2.79Å; V55-G57 VanDerWaalsContact O-N 3.12Å; V55-K58 PolarHBondContact N-O 3.48Å; V55-K58 WeakPolarHBondContact O-CA 3.29Å; V55-K58 WeakPolarHBondContact O-CB 3.09Å; V55-K58 PolarHBondContact O-N 2.82Å; V55-I60 HydrophobicContact CB-CD1 3.6Å; V55-I60 HydrophobicContact CG1-CD1 4.34Å; V55-I60 HydrophobicContact CG2-CD1 3.57Å; V55-T170 HydrophobicContact CG1-CG2 3.94Å; V55-Y173 HydrophobicContact CG1-CD1 3.62Å; V55-Y173 HydrophobicContact CG1-CE1 4.15Å; V55-Y173 HydrophobicContact CG1-CG 4.16Å |
| 56 | D | 92.2 | Very high | 93.7 | Very high | 123 Ų | 123 | 48.1 Ų | 48.1 | 66% | 0.658 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 38.2 | -179.9 | -58.8 | -15.8 | 0 | 0 | 0 | 114.2 | K58 Y173 | D56-K58 PolarHBondContact O-N 3.34Å; D56-Y173 HydrophobicContact CB-CE1 3.92Å |
| 57 | G | 92.1 | Very high | 93.8 | Very high | 67 Ų | 67 | 46.5 Ų | 46.5 | 69% | 0.691 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | 7.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | V55 | V55-G57 PolarHBondContact O-N 2.79Å; V55-G57 VanDerWaalsContact O-N 3.12Å |
| 58 | K | 94.3 | Very high | 93.5 | Very high | 75 Ų | 75 | 42.2 Ų | 42.2 | 33% | 0.326 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 136.5 | 175.3 | -61.4 | -61.2 | -172.4 | 179.8 | 0 | 111.2 | D9 Y10 Q54 V55 D56 I60 Y173 | D9-K58 HydrophobicContact CB-CB 4.18Å; D9-K58 HydrophobicContact CB-CD 3.95Å; D9-K58 VanDerWaalsContact CG-CD 3.42Å; D9-K58 VanDerWaalsContact OD1-CD 3.26Å; D9-K58 WeakPolarHBondContact OD1-CD 3.36Å; D9-K58 IonicContact OD1-NZ 2.89Å; D9-K58 PolarHBondContact OD1-NZ 3.32Å; D9-K58 WeakPolarHBondContact OD2-CA 3.21Å; Y10-K58 HydrophobicContact CD2-CB 4.24Å; Y10-K58 HydrophobicContact CE2-CB 4.11Å; Y10-K58 HydrophobicContact CE2-CD 4.37Å; Y10-K58 HydrophobicContact CE2-CG 4.11Å; Q54-K58 WeakPolarHBondContact CA-O 3.35Å; Q54-K58 PolarHBondContact OE1-O 3.21Å; V55-K58 PolarHBondContact N-O 3.48Å; V55-K58 WeakPolarHBondContact O-CA 3.29Å; V55-K58 WeakPolarHBondContact O-CB 3.09Å; V55-K58 PolarHBondContact O-N 2.82Å; D56-K58 PolarHBondContact O-N 3.34Å; K58-I60 PolarHBondContact O-N 2.91Å; K58-Y173 HydrophobicContact CB-CE2 4.13Å; K58-Y173 HydrophobicContact CG-CE2 3.99Å |
| 59 | T | 95.8 | Very high | 92.8 | Very high | 30 Ų | 30 | 37.7 Ų | 37.7 | 18% | 0.184 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 111.3 | 176.8 | -52.8 | 0 | 0 | 0 | 0 | 109.2 | D9 Y10 Q54 | D9-T59 PolarHBondContact N-O 3.48Å; D9-T59 PolarHBondContact OD2-N 3.34Å; Y10-T59 PolarHBondContact N-O 3.44Å; Q54-T59 PolarHBondContact NE2-OG1 2.86Å |
| 60 | I | 96.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 116.9 | 176.4 | -59.5 | 171.4 | 0 | 0 | 0 | 108.4 | Y10 F12 S52 I53 V55 K58 L169 Y173 | Y10-I60 HydrophobicContact CD2-CG1 4.48Å; F12-I60 HydrophobicContact CB-CG2 4.46Å; F12-I60 HydrophobicContact CD2-CD1 4.49Å; F12-I60 HydrophobicContact CD2-CG2 3.32Å; F12-I60 HydrophobicContact CE2-CD1 3.89Å; F12-I60 HydrophobicContact CE2-CG1 4.2Å; F12-I60 HydrophobicContact CE2-CG2 3.67Å; F12-I60 HydrophobicContact CG-CG2 4.04Å; S52-I60 CarbonylContact C-O 3.55Å; S52-I60 VanDerWaalsContact CA-O 3.27Å; S52-I60 WeakPolarHBondContact CA-O 3.27Å; I53-I60 HydrophobicContact CG1-CB 4.14Å; I53-I60 PolarHBondContact N-O 2.92Å; I53-I60 PolarHBondContact O-N 3.2Å; V55-I60 HydrophobicContact CB-CD1 3.6Å; V55-I60 HydrophobicContact CG1-CD1 4.34Å; V55-I60 HydrophobicContact CG2-CD1 3.57Å; K58-I60 PolarHBondContact O-N 2.91Å; I60-L169 HydrophobicContact CG2-CD2 4.26Å; I60-Y173 HydrophobicContact CD1-CD2 4.2Å; I60-Y173 HydrophobicContact CD1-CG 4.07Å |
| 61 | K | 96.7 | Very high | 90.2 | Very high | 33 Ų | 33 | 40.6 Ų | 40.6 | 14% | 0.143 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 107.3 | 169.8 | -168.7 | 165.7 | -172.4 | 163.6 | 0 | 108.8 | D6 Y8 Y10 L11 F12 | D6-K61 IonicContact OD1-NZ 3.69Å; D6-K61 PolarHBondContact OD1-NZ 3.46Å; Y8-K61 HydrophobicContact CD1-CB 4.06Å; Y8-K61 HydrophobicContact CD1-CD 3.54Å; Y8-K61 HydrophobicContact CD1-CG 4.45Å; Y8-K61 HydrophobicContact CD2-CB 4.37Å; Y8-K61 HydrophobicContact CE1-CD 3.84Å; Y8-K61 HydrophobicContact CG-CB 3.83Å; Y8-K61 HydrophobicContact CG-CD 4.21Å; Y10-K61 PolarHBondContact O-N 2.95Å; L11-K61 WeakPolarHBondContact CA-O 3.41Å; L11-K61 HydrophobicContact CD1-CB 3.91Å; L11-K61 HydrophobicContact CD1-CD 4.22Å; L11-K61 HydrophobicContact CD1-CG 3.96Å; F12-K61 PolarHBondContact N-O 3.1Å |
| 62 | A | 96.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 126.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110 | F12 T50 R51 I64 L169 | F12-A62 CarbonylContact O-C 3.59Å; F12-A62 WeakPolarHBondContact O-CA 3.18Å; T50-A62 WeakPolarHBondContact CA-O 3.44Å; R51-A62 PolarHBondContact N-O 3.37Å; R51-A62 WeakPolarHBondContact O-CB 3.46Å; R51-A62 PolarHBondContact O-N 3.44Å; A62-I64 HydrophobicContact CB-CD1 4.39Å; A62-I64 HydrophobicContact CB-CG1 4.2Å; A62-L169 HydrophobicContact CB-CD1 3.74Å; A62-L169 HydrophobicContact CB-CD2 3.77Å; A62-L169 HydrophobicContact CB-CG 4.42Å |
| 63 | Q | 96.4 | Very high | 87.9 | Confident | 50 Ų | 50 | 46.3 Ų | 46.3 | 23% | 0.234 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 105.1 | 168.8 | -77.4 | -170.3 | -12.5 | 0 | 0 | 108.7 | L11 F12 K13 V14 F48 T50 | L11-Q63 HydrophobicContact CD1-CG 3.77Å; L11-Q63 HydrophobicContact CG-CG 4.44Å; F12-Q63 PolarHBondContact O-N 3.28Å; K13-Q63 WeakPolarHBondContact CA-O 3.46Å; V14-Q63 PolarHBondContact N-O 2.98Å; F48-Q63 HydrophobicContact CE2-CB 3.87Å; F48-Q63 HydrophobicContact CE2-CG 3.94Å; F48-Q63 HydrophobicContact CZ-CB 4.42Å; F48-Q63 HydrophobicContact CZ-CG 4Å; T50-Q63 HydrophobicContact CG2-CG 4.07Å |
| 64 | I | 96.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 125.3 | -172.6 | -51.9 | 161.8 | 0 | 0 | 0 | 109.4 | V14 L16 L28 F31 T32 A49 A62 F165 | V14-I64 CarbonylContact O-C 3.58Å; V14-I64 VanDerWaalsContact O-CA 3.31Å; V14-I64 WeakPolarHBondContact O-CA 3.35Å; L16-I64 HydrophobicContact CD1-CG2 4.11Å; L16-I64 HydrophobicContact CD2-CG2 4.04Å; L16-I64 HydrophobicContact CG-CG2 3.86Å; L28-I64 HydrophobicContact CD1-CB 3.64Å; L28-I64 HydrophobicContact CD1-CD1 4.15Å; L28-I64 HydrophobicContact CD1-CG2 3.5Å; L28-I64 VanDerWaalsContact CD1-CG2 3.5Å; F31-I64 HydrophobicContact CD1-CD1 3.49Å; F31-I64 VanDerWaalsContact CD1-CD1 3.49Å; F31-I64 HydrophobicContact CE1-CD1 3.54Å; T32-I64 HydrophobicContact CG2-CD1 4.4Å; A49-I64 PolarHBondContact N-O 3.42Å; A49-I64 PolarHBondContact O-N 2.85Å; A62-I64 HydrophobicContact CB-CD1 4.39Å; A62-I64 HydrophobicContact CB-CG1 4.2Å; I64-F165 HydrophobicContact CD1-CD1 3.84Å; I64-F165 HydrophobicContact CD1-CE1 3.61Å; I64-F165 HydrophobicContact CD1-CZ 4.4Å; I64-F165 HydrophobicContact CG1-CE1 4.22Å; I64-F165 HydrophobicContact CG2-CE1 4.02Å |
| 65 | W | 94.2 | Very high | 85.3 | Confident | 59 Ų | 59 | 45.7 Ų | 45.7 | 22% | 0.223 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 110.3 | -178.2 | -60.9 | 77.3 | 0 | 0 | 0 | 109.2 | V14 V15 L16 V46 E47 F48 Y80 | V14-W65 PolarHBondContact O-N 3.02Å; V15-W65 HydrophobicContact CG1-CB 4.21Å; L16-W65 PolarHBondContact N-O 3.08Å; V46-W65 HydrophobicContact CG1-CB 4.23Å; V46-W65 HydrophobicContact CG1-CE3 3.7Å; E47-W65 CarbonylContact O-C 3.59Å; E47-W65 WeakPolarHBondContact O-CA 3.21Å; F48-W65 HydrophobicContact CB-CE3 4.43Å; F48-W65 AromaticContact CD2-CD2 3.82Å; F48-W65 HydrophobicContact CD2-CD2 3.82Å; F48-W65 AromaticContact CD2-CE2 3.58Å; F48-W65 HydrophobicContact CD2-CE3 4.13Å; F48-W65 HydrophobicContact CD2-CG 4.35Å; F48-W65 HydrophobicContact CD2-CH2 4.13Å; F48-W65 AromaticContact CD2-CZ2 3.78Å; F48-W65 HydrophobicContact CD2-CZ2 3.78Å; F48-W65 HydrophobicContact CD2-CZ3 4.29Å; F48-W65 AromaticContact CD2-NE1 3.91Å; F48-W65 HydrophobicContact CE2-CD2 4.49Å; F48-W65 AromaticContact CE2-CE2 3.82Å; F48-W65 AromaticContact CE2-CZ2 3.86Å; F48-W65 HydrophobicContact CE2-CZ2 3.86Å; F48-W65 AromaticContact CE2-NE1 3.88Å; W65-Y80 HydrophobicContact CD2-CD1 4.31Å; W65-Y80 AromaticContact CE3-CD1 3.59Å; W65-Y80 HydrophobicContact CE3-CD1 3.59Å; W65-Y80 AromaticContact CE3-CE1 3.78Å; W65-Y80 HydrophobicContact CE3-CE1 3.78Å; W65-Y80 AromaticContact CZ3-CD1 3.83Å; W65-Y80 HydrophobicContact CZ3-CD1 3.83Å; W65-Y80 AromaticContact CZ3-CE1 3.66Å; W65-Y80 HydrophobicContact CZ3-CE1 3.66Å |
| 66 | D | 92.7 | Very high | 84.3 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 116.3 | 173 | 175.6 | 42 | 0 | 0 | 0 | 110.3 | L16 K24 S25 L28 T43 V46 E47 | L16-D66 HydrophobicContact CD1-CB 4.17Å; K24-D66 WeakPolarHBondContact CB-OD1 3.26Å; S25-D66 WeakPolarHBondContact CA-OD2 3.26Å; S25-D66 VanDerWaalsContact CB-OD2 3.27Å; S25-D66 WeakPolarHBondContact CB-OD2 3.32Å; S25-D66 PolarHBondContact OG-OD2 2.99Å; L28-D66 HydrophobicContact CD2-CB 3.66Å; T43-D66 PolarHBondContact OG1-OD2 3.13Å; T43-D66 VanDerWaalsContact OG1-OD2 3.06Å; V46-D66 CarbonylContact C-O 3.47Å; V46-D66 VanDerWaalsContact CA-O 3.24Å; V46-D66 WeakPolarHBondContact CA-O 3.46Å; V46-D66 WeakPolarHBondContact CG1-O 3.4Å; E47-D66 HydrophobicContact CB-CB 4.16Å; E47-D66 PolarHBondContact N-O 2.81Å; E47-D66 PolarHBondContact O-N 3.18Å |
| 67 | T | 87.2 | Confident | 83.4 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 146.2 | -176.7 | 65.5 | 0 | 0 | 0 | 0 | 112.5 | L16 K24 V46 G69 | L16-T67 PolarHBondContact O-N 3.3Å; L16-T67 PolarHBondContact O-OG1 3.49Å; K24-T67 WeakPolarHBondContact CE-O 3.41Å; V46-T67 HydrophobicContact CG2-CG2 4.25Å; T67-G69 PolarHBondContact O-N 2.89Å |
| 68 | A | 81.5 | Confident | 82.7 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -58.9 | 124.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | T43 G45 Q70 Y73 | T43-A68 VanDerWaalsContact O-CB 3.28Å; T43-A68 WeakPolarHBondContact O-CB 3.33Å; G45-A68 WeakPolarHBondContact O-CB 3.5Å; G45-A68 PolarHBondContact O-N 2.83Å; A68-Q70 PolarHBondContact O-N 2.88Å; A68-Y73 HydrophobicContact CB-CD2 3.79Å; A68-Y73 HydrophobicContact CB-CG 4.18Å |
| 69 | G | 73.9 | Confident | 82.2 | Confident | 7 Ų | 7 | 41.5 Ų | 41.5 | 7% | 0.072 | 22% | 0.216 | C | C | . | . | trans | -84.2 | 9.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | G18 S20 T67 | G18-G69 WeakPolarHBondContact O-CA 3.49Å; S20-G69 PolarHBondContact N-O 2.94Å; S20-G69 VanDerWaalsContact N-O 3.08Å; T67-G69 PolarHBondContact O-N 2.89Å | ||
| 70 | Q | 72.5 | Confident | 81.7 | Confident | 33 Ų | 33 | 43 Ų | 43 | 15% | 0.154 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -89.3 | 138.8 | 178.5 | -73.5 | -177.9 | 64.8 | 0 | 0 | 110.4 | A68 R72 Y73 | A68-Q70 PolarHBondContact O-N 2.88Å; Q70-R72 PolarHBondContact O-N 3.24Å; Q70-Y73 HydrophobicContact CB-CD2 4.03Å; Q70-Y73 PolarHBondContact O-N 3.45Å |
| 71 | E | 63.9 | Low | 81.4 | Confident | 108 Ų | 108 | 43 Ų | 43 | 51% | 0.505 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -56.7 | -34.4 | 178.9 | 67 | -59.8 | 137.9 | 0 | 0 | 114.3 | Y73 R74 | E71-Y73 PolarHBondContact O-N 3.49Å; E71-Y73 VanDerWaalsContact O-N 3.14Å; E71-R74 VanDerWaalsContact CA-NE 3.29Å; E71-R74 VanDerWaalsContact CB-NE 3.31Å; E71-R74 WeakPolarHBondContact O-CB 3.22Å; E71-R74 WeakPolarHBondContact O-CD 3.25Å; E71-R74 WeakPolarHBondContact O-CG 3.41Å; E71-R74 PolarHBondContact O-N 2.99Å |
| 72 | R | 67.8 | Low | 81 | Confident | 180 Ų | 180 | 51.4 Ų | 51.4 | 68% | 0.679 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -58.6 | -23.7 | 176 | -86.3 | -177 | -67.7 | 164.1 | 3 | 114.2 | Q70 | Q70-R72 PolarHBondContact O-N 3.24Š|
| 73 | Y | 72.5 | Confident | 80.7 | Confident | 63 Ų | 63 | 54 Ų | 54 | 25% | 0.247 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -103.8 | 4.9 | -178.1 | -59.8 | -65.2 | 0 | 0 | 0 | 113.8 | A68 Q70 E71 A75 I76 T77 | A68-Y73 HydrophobicContact CB-CD2 3.79Å; A68-Y73 HydrophobicContact CB-CG 4.18Å; Q70-Y73 HydrophobicContact CB-CD2 4.03Å; Q70-Y73 PolarHBondContact O-N 3.45Å; E71-Y73 PolarHBondContact O-N 3.49Å; E71-Y73 VanDerWaalsContact O-N 3.14Å; Y73-A75 VanDerWaalsContact C-N 3.29Å; Y73-A75 PolarHBondContact O-N 3.13Å; Y73-I76 HydrophobicContact CD1-CD1 3.98Å; Y73-I76 WeakPolarHBondContact O-CA 3.4Å; Y73-I76 WeakPolarHBondContact O-CB 3.37Å; Y73-I76 PolarHBondContact O-N 3.48Å; Y73-T77 PolarHBondContact O-N 2.92Å |
| 74 | R | 67.4 | Low | 80.7 | Confident | 33 Ų | 33 | 51.6 Ų | 51.6 | 13% | 0.125 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.1 | -35.7 | -178.3 | -76.4 | 168.7 | -171.5 | -90.7 | -4.7 | 114.8 | E71 I76 T77 R104 E108 | E71-R74 VanDerWaalsContact CA-NE 3.29Å; E71-R74 VanDerWaalsContact CB-NE 3.31Å; E71-R74 WeakPolarHBondContact O-CB 3.22Å; E71-R74 WeakPolarHBondContact O-CD 3.25Å; E71-R74 WeakPolarHBondContact O-CG 3.41Å; E71-R74 PolarHBondContact O-N 2.99Å; R74-I76 PolarHBondContact O-N 3.16Å; R74-T77 VanDerWaalsContact CA-OG1 3.31Å; R74-T77 WeakPolarHBondContact CA-OG1 3.31Å; R74-T77 PolarHBondContact O-N 2.85Å; R74-T77 PolarHBondContact O-OG1 2.91Å; R74-R104 VanDerWaalsContact CZ-NE 3.33Å; R74-R104 VanDerWaalsContact NE-NH2 3.19Å; R74-R104 VanDerWaalsContact NH2-NH1 3.13Å; R74-E108 IonicContact NH1-OE2 2.69Å; R74-E108 PolarHBondContact NH1-OE2 2.95Å |
| 75 | A | 68.1 | Low | 80.7 | Confident | 86 Ų | 86 | 54.1 Ų | 54.1 | 71% | 0.711 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -60.9 | -33.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y73 S78 | Y73-A75 VanDerWaalsContact C-N 3.29Å; Y73-A75 PolarHBondContact O-N 3.13Å; A75-S78 PolarHBondContact O-OG 2.76Å |
| 76 | I | 71.7 | Confident | 80.8 | Confident | 82 Ų | 82 | 51.3 Ų | 51.3 | 42% | 0.421 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -80 | -34.6 | -179.4 | -40.4 | -176.5 | 0 | 0 | 0 | 110.7 | Y73 R74 S78 A79 Y80 | Y73-I76 HydrophobicContact CD1-CD1 3.98Å; Y73-I76 WeakPolarHBondContact O-CA 3.4Å; Y73-I76 WeakPolarHBondContact O-CB 3.37Å; Y73-I76 PolarHBondContact O-N 3.48Å; R74-I76 PolarHBondContact O-N 3.16Å; I76-S78 VanDerWaalsContact C-N 3.31Å; I76-S78 PolarHBondContact O-N 2.78Å; I76-A79 PolarHBondContact O-N 2.84Å; I76-Y80 HydrophobicContact CG2-CE2 3.73Å; I76-Y80 WeakPolarHBondContact O-CD2 3.37Å; I76-Y80 WeakPolarHBondContact O-CE2 3.36Å |
| 77 | T | 73.4 | Confident | 81 | Confident | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.018 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.4 | -38.2 | -178.3 | 52.6 | 0 | 0 | 0 | 0 | 112.7 | Y73 R74 A79 Y80 E108 | Y73-T77 PolarHBondContact O-N 2.92Å; R74-T77 VanDerWaalsContact CA-OG1 3.31Å; R74-T77 WeakPolarHBondContact CA-OG1 3.31Å; R74-T77 PolarHBondContact O-N 2.85Å; R74-T77 PolarHBondContact O-OG1 2.91Å; T77-A79 VanDerWaalsContact C-N 3.28Å; T77-A79 PolarHBondContact O-N 2.99Å; T77-Y80 PolarHBondContact O-N 3.11Å; T77-E108 PolarHBondContact OG1-OE1 2.72Å; T77-E108 VanDerWaalsContact OG1-OE1 3.04Å |
| 78 | S | 78 | Confident | 81.6 | Confident | 34 Ų | 34 | 51.3 Ų | 51.3 | 24% | 0.238 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -54.7 | -39.1 | 179.6 | 67.6 | 0 | 0 | 0 | 0 | 113.9 | A75 I76 Y80 Y81 | A75-S78 PolarHBondContact O-OG 2.76Å; I76-S78 VanDerWaalsContact C-N 3.31Å; I76-S78 PolarHBondContact O-N 2.78Å; S78-Y80 PolarHBondContact O-N 3.02Å; S78-Y81 PolarHBondContact O-N 3.37Å |
| 79 | A | 83.7 | Confident | 82.3 | Confident | 69 Ų | 69 | 51.3 Ų | 51.3 | 57% | 0.57 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -65.7 | -29 | 180 | 0 | 0 | 0 | 0 | 0 | 112.4 | I76 T77 Y81 | I76-A79 PolarHBondContact O-N 2.84Å; T77-A79 VanDerWaalsContact C-N 3.28Å; T77-A79 PolarHBondContact O-N 2.99Å; A79-Y81 VanDerWaalsContact C-N 3.33Å |
| 80 | Y | 85.6 | Confident | 83.5 | Confident | 63 Ų | 63 | 51 Ų | 51 | 25% | 0.247 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -77.7 | -18.9 | 179.8 | -65.7 | -81.4 | 0 | 0 | 0 | 113.1 | K13 V46 W65 I76 T77 S78 R82 | K13-Y80 WeakPolarHBondContact CE-O 3.19Å; K13-Y80 PolarHBondContact NZ-O 3.18Å; V46-Y80 HydrophobicContact CB-CE1 3.98Å; V46-Y80 HydrophobicContact CB-CE2 4.14Å; V46-Y80 HydrophobicContact CG1-CD1 4.13Å; V46-Y80 HydrophobicContact CG1-CE1 3.96Å; V46-Y80 HydrophobicContact CG2-CD1 4.18Å; V46-Y80 HydrophobicContact CG2-CD2 3.58Å; V46-Y80 HydrophobicContact CG2-CE1 3.86Å; V46-Y80 HydrophobicContact CG2-CE2 3.19Å; V46-Y80 HydrophobicContact CG2-CG 4.05Å; W65-Y80 HydrophobicContact CD2-CD1 4.31Å; W65-Y80 AromaticContact CE3-CD1 3.59Å; W65-Y80 HydrophobicContact CE3-CD1 3.59Å; W65-Y80 AromaticContact CE3-CE1 3.78Å; W65-Y80 HydrophobicContact CE3-CE1 3.78Å; W65-Y80 AromaticContact CZ3-CD1 3.83Å; W65-Y80 HydrophobicContact CZ3-CD1 3.83Å; W65-Y80 AromaticContact CZ3-CE1 3.66Å; W65-Y80 HydrophobicContact CZ3-CE1 3.66Å; I76-Y80 HydrophobicContact CG2-CE2 3.73Å; I76-Y80 WeakPolarHBondContact O-CD2 3.37Å; I76-Y80 WeakPolarHBondContact O-CE2 3.36Å; T77-Y80 PolarHBondContact O-N 3.11Å; S78-Y80 PolarHBondContact O-N 3.02Å; Y80-R82 VanDerWaalsContact C-N 3.31Å; Y80-R82 PolarHBondContact O-N 3.01Å |
| 81 | Y | 89.6 | Confident | 84.7 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.5 | -25.6 | 176.7 | -57 | -27 | 0 | 0 | 0 | 113 | V15 I17 S78 A79 G83 A84 E108 L109 H112 | V15-Y81 HydrophobicContact CG1-CD1 4.42Å; V15-Y81 HydrophobicContact CG2-CD1 4.08Å; V15-Y81 HydrophobicContact CG2-CE1 4.36Å; I17-Y81 HydrophobicContact CG2-CE1 3.44Å; I17-Y81 VanDerWaalsContact CG2-CE1 3.44Å; S78-Y81 PolarHBondContact O-N 3.37Å; A79-Y81 VanDerWaalsContact C-N 3.33Å; Y81-G83 PolarHBondContact O-N 2.85Å; Y81-A84 VanDerWaalsContact O-CB 3.28Å; Y81-A84 WeakPolarHBondContact O-CB 3.45Å; Y81-A84 PolarHBondContact O-N 3.1Å; Y81-E108 HydrophobicContact CE2-CG 4.23Å; Y81-L109 HydrophobicContact CD1-CD1 3.88Å; Y81-L109 HydrophobicContact CD2-CD1 4.36Å; Y81-L109 HydrophobicContact CE1-CD1 4.18Å; Y81-L109 HydrophobicContact CG-CD1 3.99Å; Y81-H112 HydrophobicContact CD2-CB 3.8Å |
| 82 | R | 87.9 | Confident | 86.3 | Confident | 208 Ų | 208 | 44.8 Ų | 44.8 | 79% | 0.785 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | 124.3 | 177.8 | -179.3 | 173 | -83 | 154.6 | -5.2 | 110.9 | K13 Y80 A84 | K13-R82 PolarHBondContact NZ-O 3.05Å; Y80-R82 VanDerWaalsContact C-N 3.31Å; Y80-R82 PolarHBondContact O-N 3.01Å; R82-A84 PolarHBondContact O-N 2.83Å |
| 83 | G | 91.4 | Very high | 87.8 | Confident | 54 Ų | 54 | 36.2 Ų | 36.2 | 56% | 0.557 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | 5.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y81 V85 | Y81-G83 PolarHBondContact O-N 2.85Å; G83-V85 PolarHBondContact O-N 2.92Å |
| 84 | A | 94.9 | Very high | 89 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | trans | -69.9 | 128.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | K13 V15 Y81 R82 I117 | K13-A84 HydrophobicContact CG-CB 4.35Å; K13-A84 WeakPolarHBondContact O-CA 3.12Å; V15-A84 HydrophobicContact CG1-CB 3.87Å; V15-A84 HydrophobicContact CG2-CB 4.24Å; Y81-A84 VanDerWaalsContact O-CB 3.28Å; Y81-A84 WeakPolarHBondContact O-CB 3.45Å; Y81-A84 PolarHBondContact O-N 3.1Å; R82-A84 PolarHBondContact O-N 2.83Å; A84-I117 HydrophobicContact CB-CD1 3.94Å | ||
| 85 | V | 96.1 | Very high | 90.4 | Very high | 52 Ų | 52 | 37.7 Ų | 37.7 | 32% | 0.315 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -100.2 | -14.4 | 176.6 | -66.3 | 0 | 0 | 0 | 0 | 111.5 | F12 K13 G83 V118 I172 | F12-V85 HydrophobicContact CB-CG2 3.8Å; F12-V85 HydrophobicContact CD1-CG2 4.07Å; F12-V85 HydrophobicContact CG-CG2 4.12Å; K13-V85 WeakPolarHBondContact O-CG2 3.49Å; K13-V85 PolarHBondContact O-N 3.31Å; G83-V85 PolarHBondContact O-N 2.92Å; V85-V118 PolarHBondContact O-N 3.4Å; V85-I172 HydrophobicContact CB-CG2 4.09Å; V85-I172 HydrophobicContact CG2-CD1 4.29Å; V85-I172 HydrophobicContact CG2-CG2 3.82Å |
| 86 | G | 97.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 153.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | K13 V14 V15 V118 | K13-G86 PolarHBondContact O-N 3.48Å; V14-G86 VanDerWaalsContact CA-O 3.28Å; V14-G86 WeakPolarHBondContact CA-O 3.33Å; V15-G86 PolarHBondContact N-O 2.83Å; G86-V118 CarbonylContact C-O 3.45Å; G86-V118 WeakPolarHBondContact CA-O 3.32Å |
| 87 | A | 97.3 | Very high | 93 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 133.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V15 L109 I117 V118 I119 M120 I168 | V15-A87 HydrophobicContact CG2-CB 3.68Å; V15-A87 CarbonylContact O-C 3.31Å; V15-A87 VanDerWaalsContact O-CA 3.31Å; V15-A87 WeakPolarHBondContact O-CA 3.41Å; A87-L109 HydrophobicContact CB-CD1 4.15Å; A87-L109 HydrophobicContact CB-CD2 3.45Å; A87-L109 VanDerWaalsContact CB-CD2 3.45Å; A87-L109 HydrophobicContact CB-CG 4.45Å; A87-I117 HydrophobicContact CB-CD1 3.97Å; A87-V118 PolarHBondContact N-O 2.89Å; A87-I119 WeakPolarHBondContact O-CA 3.44Å; A87-M120 PolarHBondContact O-N 2.82Å; A87-I168 WeakPolarHBondContact O-CD1 3.41Å |
| 88 | L | 98.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 115.6 | 163.5 | -71.8 | 72.1 | 0 | 0 | 0 | 107.8 | V14 V15 L16 I17 V90 M120 V122 F165 I168 | V14-L88 HydrophobicContact CG1-CD1 3.38Å; V15-L88 PolarHBondContact O-N 2.86Å; L16-L88 HydrophobicContact CD2-CB 3.69Å; L16-L88 HydrophobicContact CD2-CD1 3.97Å; L16-L88 HydrophobicContact CD2-CD2 3.86Å; L16-L88 HydrophobicContact CD2-CG 4.06Å; I17-L88 PolarHBondContact N-O 3.4Å; L88-V90 HydrophobicContact CB-CG2 4.21Å; L88-M120 CarbonylContact C-O 3.6Å; L88-M120 WeakPolarHBondContact CA-O 3.31Å; L88-V122 HydrophobicContact CB-CG2 4.15Å; L88-V122 HydrophobicContact CD2-CG2 4.12Å; L88-V122 HydrophobicContact CG-CG2 4.17Å; L88-F165 HydrophobicContact CD1-CD1 4.41Å; L88-F165 HydrophobicContact CD1-CE1 4.19Å; L88-F165 HydrophobicContact CD2-CD1 4.24Å; L88-F165 HydrophobicContact CD2-CE1 3.86Å; L88-F165 HydrophobicContact CD2-CE2 4.23Å; L88-F165 HydrophobicContact CD2-CZ 3.86Å; L88-I168 HydrophobicContact CD1-CD1 3.73Å; L88-I168 HydrophobicContact CD1-CG2 4.02Å; L88-I168 HydrophobicContact CG-CD1 4.45Å |
| 89 | L | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 103.7 | 175 | 177 | 51.3 | 0 | 0 | 0 | 109 | I17 V102 W105 L106 I119 M120 L121 V122 | I17-L89 HydrophobicContact CD1-CB 4.29Å; I17-L89 HydrophobicContact CD1-CD1 3.84Å; I17-L89 HydrophobicContact CG1-CB 4.11Å; I17-L89 HydrophobicContact CG1-CD1 3.73Å; I17-L89 HydrophobicContact CG1-CG 4.5Å; L89-V102 HydrophobicContact CD2-CG1 3.54Å; L89-V102 HydrophobicContact CG-CG1 3.99Å; L89-W105 HydrophobicContact CD1-CB 3.44Å; L89-W105 VanDerWaalsContact CD1-CB 3.44Å; L89-W105 HydrophobicContact CD1-CG 4.12Å; L89-L106 HydrophobicContact CD2-CB 3.94Å; L89-L106 HydrophobicContact CD2-CD1 4.41Å; L89-I119 HydrophobicContact CB-CG2 4.37Å; L89-M120 PolarHBondContact N-O 2.8Å; L89-L121 HydrophobicContact CD2-CD1 4.48Å; L89-L121 HydrophobicContact CG-CD1 4.14Å; L89-L121 WeakPolarHBondContact O-CA 3.28Å; L89-V122 PolarHBondContact O-N 3.49Å |
| 90 | V | 98.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 132 | -167.1 | -167.8 | 0 | 0 | 0 | 0 | 110.9 | I17 G18 V22 K24 L27 L88 V122 N124 | I17-V90 PolarHBondContact O-N 3.29Å; G18-V90 WeakPolarHBondContact CA-O 3.19Å; V22-V90 HydrophobicContact CB-CG1 4.27Å; V22-V90 HydrophobicContact CG2-CB 3.91Å; V22-V90 HydrophobicContact CG2-CG1 3.8Å; K24-V90 HydrophobicContact CG-CB 4.06Å; K24-V90 HydrophobicContact CG-CG2 4.1Å; L27-V90 HydrophobicContact CD1-CG1 3.79Å; L27-V90 HydrophobicContact CD1-CG2 4.08Å; L88-V90 HydrophobicContact CB-CG2 4.21Å; V90-V122 WeakPolarHBondContact CA-O 3.28Å; V90-V122 HydrophobicContact CG1-CB 4.44Å; V90-V122 HydrophobicContact CG1-CG1 4.43Å; V90-V122 HydrophobicContact CG2-CB 4.24Å; V90-N124 HydrophobicContact CG1-CB 3.77Å |
| 91 | Y | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 167.8 | 167.4 | 74.6 | -83.5 | 0 | 0 | 0 | 110.7 | I93 Y99 V102 L121 V122 N124 V134 A139 F150 | Y91-I93 HydrophobicContact CE2-CB 4.47Å; Y91-I93 HydrophobicContact CE2-CG2 3.87Å; Y91-Y99 HydrophobicContact CD1-CD2 4.24Å; Y91-Y99 HydrophobicContact CD2-CD2 4.04Å; Y91-Y99 HydrophobicContact CD2-CG 4.35Å; Y91-Y99 HydrophobicContact CE1-CD2 4.2Å; Y91-Y99 HydrophobicContact CE2-CD2 4.01Å; Y91-Y99 HydrophobicContact CE2-CG 4.49Å; Y91-Y99 HydrophobicContact CG-CD2 4.16Å; Y91-V102 HydrophobicContact CD1-CG2 4.32Å; Y91-V102 HydrophobicContact CG-CG2 4.36Å; Y91-L121 HydrophobicContact CD1-CD1 3.81Å; Y91-L121 HydrophobicContact CD1-CG 4.22Å; Y91-L121 HydrophobicContact CE1-CD1 4.06Å; Y91-L121 HydrophobicContact CE1-CD2 4.21Å; Y91-L121 HydrophobicContact CE1-CG 3.96Å; Y91-V122 WeakPolarHBondContact CD1-O 3.48Å; Y91-V122 PolarHBondContact N-O 2.6Å; Y91-N124 PolarHBondContact O-N 3.4Å; Y91-V134 HydrophobicContact CD2-CG2 4.32Å; Y91-V134 HydrophobicContact CE2-CB 3.91Å; Y91-V134 HydrophobicContact CE2-CG1 3.82Å; Y91-V134 HydrophobicContact CE2-CG2 4.03Å; Y91-A139 HydrophobicContact CE1-CB 4.31Å; Y91-A139 WeakPolarHBondContact OH-CB 3.29Å; Y91-F150 HydrophobicContact CE1-CE2 4.24Å |
| 92 | D | 98.2 | Very high | 96.6 | Very high | 11 Ų | 11 | 37.4 Ų | 37.4 | 6% | 0.059 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 118.5 | 176.2 | 179.4 | -11.5 | 0 | 0 | 0 | 109.5 | V22 A94 K95 T98 K125 | V22-D92 HydrophobicContact CB-CB 4.37Å; V22-D92 HydrophobicContact CG1-CB 4.24Å; D92-A94 PolarHBondContact O-N 2.77Å; D92-A94 VanDerWaalsContact O-N 3.12Å; D92-A94 WeakPolarHBondContact OD1-CB 3.48Å; D92-A94 PolarHBondContact OD1-N 2.98Å; D92-K95 HydrophobicContact CB-CB 4.09Å; D92-K95 PolarHBondContact O-N 2.99Å; D92-T98 HydrophobicContact CB-CG2 4.41Å; D92-T98 PolarHBondContact N-OG1 3.38Å; D92-T98 PolarHBondContact O-OG1 2.95Å; D92-K125 WeakPolarHBondContact OD2-CD 3.27Å; D92-K125 VanDerWaalsContact OD2-CE 3.24Å; D92-K125 WeakPolarHBondContact OD2-CE 3.31Å; D92-K125 IonicContact OD2-NZ 2.78Å; D92-K125 PolarHBondContact OD2-NZ 3.44Å |
| 93 | I | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -21.2 | -178.7 | 66.3 | 148.5 | 0 | 0 | 0 | 113.3 | Y91 N124 K125 A133 V134 | Y91-I93 HydrophobicContact CE2-CB 4.47Å; Y91-I93 HydrophobicContact CE2-CG2 3.87Å; I93-N124 WeakPolarHBondContact CG1-O 3.29Å; I93-N124 PolarHBondContact N-O 3.38Å; I93-K125 WeakPolarHBondContact CD1-O 3.31Å; I93-K125 VanDerWaalsContact CG1-O 3.31Å; I93-K125 WeakPolarHBondContact CG1-O 3.26Å; I93-A133 PolarHBondContact O-N 3.31Å; I93-V134 PolarHBondContact O-N 2.83Å; I93-V134 VanDerWaalsContact O-N 3.12Å |
| 94 | A | 98.1 | Very high | 97.2 | Very high | 27 Ų | 27 | 37.8 Ų | 37.8 | 22% | 0.223 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -2.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | D92 L128 L131 | D92-A94 PolarHBondContact O-N 2.77Å; D92-A94 VanDerWaalsContact O-N 3.12Å; D92-A94 WeakPolarHBondContact OD1-CB 3.48Å; D92-A94 PolarHBondContact OD1-N 2.98Å; A94-L128 HydrophobicContact CB-CB 4.2Å; A94-L128 HydrophobicContact CB-CD1 4.09Å; A94-L131 WeakPolarHBondContact CA-O 3.35Å; A94-L131 HydrophobicContact CB-CB 4.01Å |
| 95 | K | 97.2 | Very high | 97.1 | Very high | 99 Ų | 99 | 37.8 Ų | 37.8 | 43% | 0.43 | 18% | 0.181 | S | C | . | . | trans | -134.4 | 94.1 | -178.1 | -170.8 | 178.2 | 171.8 | -171.9 | 0 | 112 | D92 L97 T98 | D92-K95 HydrophobicContact CB-CB 4.09Å; D92-K95 PolarHBondContact O-N 2.99Å; K95-L97 VanDerWaalsContact C-N 3.29Å; K95-L97 PolarHBondContact O-N 3.19Å; K95-L97 VanDerWaalsContact O-N 3.15Å; K95-T98 HydrophobicContact CB-CG2 4.13Å; K95-T98 HydrophobicContact CD-CG2 3.69Å; K95-T98 HydrophobicContact CG-CG2 3.92Å; K95-T98 PolarHBondContact O-N 2.67Å; K95-T98 PolarHBondContact O-OG1 3.26Å | ||
| 96 | H | 97.3 | Very high | 97.1 | Very high | 69 Ų | 69 | 35.5 Ų | 35.5 | 32% | 0.319 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -50.5 | -41.2 | -176.5 | -166.9 | -93.2 | 0 | 0 | 0 | 114.5 | T98 Y99 E100 A133 | H96-T98 PolarHBondContact O-N 3.21Å; H96-T98 VanDerWaalsContact O-N 3.1Å; H96-Y99 WeakPolarHBondContact O-CA 3.39Å; H96-Y99 WeakPolarHBondContact O-CB 3.45Å; H96-Y99 PolarHBondContact O-N 3.36Å; H96-E100 IonicContact CE1-OE1 3.84Å; H96-E100 PolarHBondContact CE1-OE1 2.85Å; H96-E100 IonicContact ND1-OE1 2.9Å; H96-E100 PolarHBondContact ND1-OE1 3.13Å; H96-E100 PolarHBondContact O-N 3.05Å; H96-A133 HydrophobicContact CB-CB 4.12Å |
| 97 | L | 97 | Very high | 96.9 | Very high | 88 Ų | 88 | 42 Ų | 42 | 46% | 0.461 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -54.7 | -34.5 | 178.4 | -179.4 | 63 | 0 | 0 | 0 | 113.1 | K95 Y99 E100 N101 | K95-L97 VanDerWaalsContact C-N 3.29Å; K95-L97 PolarHBondContact O-N 3.19Å; K95-L97 VanDerWaalsContact O-N 3.15Å; L97-Y99 VanDerWaalsContact C-N 3.27Å; L97-Y99 PolarHBondContact O-N 2.62Å; L97-E100 PolarHBondContact O-N 3.4Å; L97-N101 PolarHBondContact O-N 3.18Å; L97-N101 VanDerWaalsContact O-N 3.12Å; L97-N101 PolarHBondContact O-ND2 3.4Å |
| 98 | T | 97.3 | Very high | 96.6 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.012 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -71.8 | -26.5 | 179.1 | 68.2 | 0 | 0 | 0 | 0 | 112.3 | D19 V22 D92 K95 H96 | D19-T98 HydrophobicContact CB-CG2 3.98Å; V22-T98 HydrophobicContact CG1-CG2 3.76Å; D92-T98 HydrophobicContact CB-CG2 4.41Å; D92-T98 PolarHBondContact N-OG1 3.38Å; D92-T98 PolarHBondContact O-OG1 2.95Å; K95-T98 HydrophobicContact CB-CG2 4.13Å; K95-T98 HydrophobicContact CD-CG2 3.69Å; K95-T98 HydrophobicContact CG-CG2 3.92Å; K95-T98 PolarHBondContact O-N 2.67Å; K95-T98 PolarHBondContact O-OG1 3.26Å; H96-T98 PolarHBondContact O-N 3.21Å; H96-T98 VanDerWaalsContact O-N 3.1Å |
| 99 | Y | 98.4 | Very high | 96.3 | Very high | 20 Ų | 20 | 43.1 Ų | 43.1 | 8% | 0.078 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -77.8 | -42.2 | 173.4 | 174.3 | -104.6 | 0 | 0 | 0 | 111.5 | Y91 H96 L97 N101 V102 V134 E138 A139 F142 | Y91-Y99 HydrophobicContact CD1-CD2 4.24Å; Y91-Y99 HydrophobicContact CD2-CD2 4.04Å; Y91-Y99 HydrophobicContact CD2-CG 4.35Å; Y91-Y99 HydrophobicContact CE1-CD2 4.2Å; Y91-Y99 HydrophobicContact CE2-CD2 4.01Å; Y91-Y99 HydrophobicContact CE2-CG 4.49Å; Y91-Y99 HydrophobicContact CG-CD2 4.16Å; H96-Y99 WeakPolarHBondContact O-CA 3.39Å; H96-Y99 WeakPolarHBondContact O-CB 3.45Å; H96-Y99 PolarHBondContact O-N 3.36Å; L97-Y99 VanDerWaalsContact C-N 3.27Å; L97-Y99 PolarHBondContact O-N 2.62Å; Y99-N101 PolarHBondContact O-N 3.5Å; Y99-V102 HydrophobicContact CD2-CG2 4.31Å; Y99-V102 WeakPolarHBondContact O-CB 3.42Å; Y99-V102 VanDerWaalsContact O-CG2 3.23Å; Y99-V102 WeakPolarHBondContact O-CG2 3.43Å; Y99-V102 PolarHBondContact O-N 3.41Å; Y99-V134 HydrophobicContact CD1-CG1 3.92Å; Y99-V134 HydrophobicContact CD1-CG2 4.25Å; Y99-V134 HydrophobicContact CD2-CG1 3.86Å; Y99-V134 HydrophobicContact CE1-CG1 4.19Å; Y99-V134 HydrophobicContact CE2-CG1 4.13Å; Y99-V134 HydrophobicContact CG-CG1 3.75Å; Y99-V134 HydrophobicContact CG-CG2 3.93Å; Y99-E138 HydrophobicContact CE1-CG 4.29Å; Y99-E138 VanDerWaalsContact CE1-OE1 3.29Å; Y99-E138 WeakPolarHBondContact CE1-OE1 3.36Å; Y99-E138 PolarHBondContact OH-O 3.34Å; Y99-A139 HydrophobicContact CE2-CB 3.83Å; Y99-F142 VanDerWaalsContact OH-CB 3.28Å; Y99-F142 WeakPolarHBondContact OH-CB 3.41Å |
| 100 | E | 97.3 | Very high | 96.1 | Very high | 113 Ų | 113 | 48.9 Ų | 48.9 | 53% | 0.528 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -56.5 | -39.2 | 172.3 | -69.5 | 176.3 | 176.6 | 0 | 0 | 111.9 | H96 L97 V102 | H96-E100 IonicContact CE1-OE1 3.84Å; H96-E100 PolarHBondContact CE1-OE1 2.85Å; H96-E100 IonicContact ND1-OE1 2.9Å; H96-E100 PolarHBondContact ND1-OE1 3.13Å; H96-E100 PolarHBondContact O-N 3.05Å; L97-E100 PolarHBondContact O-N 3.4Å; E100-V102 PolarHBondContact O-N 3.11Å |
| 101 | N | 96.1 | Very high | 95.7 | Very high | 39 Ų | 39 | 53.9 Ų | 53.9 | 21% | 0.209 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -11.1 | 178.1 | -74.2 | -32.6 | 0 | 0 | 0 | 114.1 | D19 L97 Y99 E103 R104 W105 | D19-N101 PolarHBondContact OD2-ND2 2.92Å; L97-N101 PolarHBondContact O-N 3.18Å; L97-N101 VanDerWaalsContact O-N 3.12Å; L97-N101 PolarHBondContact O-ND2 3.4Å; Y99-N101 PolarHBondContact O-N 3.5Å; N101-E103 VanDerWaalsContact C-N 3.27Å; N101-E103 PolarHBondContact O-N 3.14Å; N101-R104 WeakPolarHBondContact O-CB 3.39Å; N101-R104 PolarHBondContact O-N 2.93Å; N101-R104 VanDerWaalsContact O-N 3.14Å; N101-W105 PolarHBondContact O-N 3.28Å; N101-W105 VanDerWaalsContact O-N 3.09Å |
| 102 | V | 97 | Very high | 95.3 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56.5 | -41.7 | 177.9 | 168.9 | 0 | 0 | 0 | 0 | 111 | L89 Y91 Y99 E100 R104 W105 L106 L121 F142 | L89-V102 HydrophobicContact CD2-CG1 3.54Å; L89-V102 HydrophobicContact CG-CG1 3.99Å; Y91-V102 HydrophobicContact CD1-CG2 4.32Å; Y91-V102 HydrophobicContact CG-CG2 4.36Å; Y99-V102 HydrophobicContact CD2-CG2 4.31Å; Y99-V102 WeakPolarHBondContact O-CB 3.42Å; Y99-V102 VanDerWaalsContact O-CG2 3.23Å; Y99-V102 WeakPolarHBondContact O-CG2 3.43Å; Y99-V102 PolarHBondContact O-N 3.41Å; E100-V102 PolarHBondContact O-N 3.11Å; V102-R104 VanDerWaalsContact C-N 3.29Å; V102-R104 PolarHBondContact O-N 2.95Å; V102-W105 PolarHBondContact O-N 2.95Å; V102-L106 WeakPolarHBondContact O-CB 3.36Å; V102-L106 PolarHBondContact O-N 3.3Å; V102-L121 HydrophobicContact CG1-CD1 3.63Å; V102-L121 HydrophobicContact CG2-CD1 4.09Å; V102-F142 HydrophobicContact CG1-CD1 4.3Å; V102-F142 HydrophobicContact CG1-CE1 3.46Å; V102-F142 VanDerWaalsContact CG1-CE1 3.46Å; V102-F142 HydrophobicContact CG1-CZ 3.77Å |
| 103 | E | 96.2 | Very high | 94.9 | Very high | 139 Ų | 139 | 58.9 Ų | 58.9 | 65% | 0.65 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -60.7 | -41.1 | 179.6 | -175 | 171.6 | -166.4 | 0 | 0 | 111.8 | N101 L106 K107 | N101-E103 VanDerWaalsContact C-N 3.27Å; N101-E103 PolarHBondContact O-N 3.14Å; E103-L106 PolarHBondContact O-N 3.47Å; E103-K107 WeakPolarHBondContact O-CB 3.42Å; E103-K107 PolarHBondContact O-N 2.79Å |
| 104 | R | 93.8 | Very high | 94.4 | Very high | 131 Ų | 131 | 63.1 Ų | 63.1 | 49% | 0.494 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.3 | -45.2 | 176.2 | -179.2 | -179.7 | 178.4 | -175.2 | -0.5 | 111.9 | R74 N101 V102 K107 E108 | R74-R104 VanDerWaalsContact CZ-NE 3.33Å; R74-R104 VanDerWaalsContact NE-NH2 3.19Å; R74-R104 VanDerWaalsContact NH2-NH1 3.13Å; N101-R104 WeakPolarHBondContact O-CB 3.39Å; N101-R104 PolarHBondContact O-N 2.93Å; N101-R104 VanDerWaalsContact O-N 3.14Å; V102-R104 VanDerWaalsContact C-N 3.29Å; V102-R104 PolarHBondContact O-N 2.95Å; R104-K107 PolarHBondContact O-N 3.28Å; R104-E108 WeakPolarHBondContact O-CB 3.4Å; R104-E108 PolarHBondContact O-N 2.68Å |
| 105 | W | 94 | Very high | 94 | Very high | 1 Ų | 1 | 67.4 Ų | 67.4 | 0% | 0.004 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.5 | -39.6 | 177.5 | -76.5 | 109.9 | 0 | 0 | 0 | 112.3 | I17 G18 D19 L89 N101 V102 K107 E108 L109 | I17-W105 HydrophobicContact CB-CE3 4.19Å; I17-W105 HydrophobicContact CD1-CB 4.45Å; G18-W105 VanDerWaalsContact C-CE2 3.45Å; G18-W105 WeakPolarHBondContact O-CZ2 3.28Å; D19-W105 PolarHBondContact OD1-NE1 3.44Å; L89-W105 HydrophobicContact CD1-CB 3.44Å; L89-W105 VanDerWaalsContact CD1-CB 3.44Å; L89-W105 HydrophobicContact CD1-CG 4.12Å; N101-W105 PolarHBondContact O-N 3.28Å; N101-W105 VanDerWaalsContact O-N 3.09Å; V102-W105 PolarHBondContact O-N 2.95Å; W105-K107 VanDerWaalsContact C-N 3.35Å; W105-E108 PolarHBondContact O-N 2.69Å; W105-L109 WeakPolarHBondContact O-CB 3.46Å; W105-L109 PolarHBondContact O-N 2.82Å |
| 106 | L | 95 | Very high | 93.6 | Very high | 4 Ų | 4 | 67 Ų | 67 | 2% | 0.021 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 176.6 | -179.8 | 61 | 0 | 0 | 0 | 111.3 | L89 V102 E103 L109 R110 I119 F142 N146 L148 | L89-L106 HydrophobicContact CD2-CB 3.94Å; L89-L106 HydrophobicContact CD2-CD1 4.41Å; V102-L106 WeakPolarHBondContact O-CB 3.36Å; V102-L106 PolarHBondContact O-N 3.3Å; E103-L106 PolarHBondContact O-N 3.47Å; L106-L109 PolarHBondContact O-N 3.3Å; L106-R110 HydrophobicContact CD1-CG 4.49Å; L106-R110 WeakPolarHBondContact O-CB 3.46Å; L106-R110 WeakPolarHBondContact O-CG 3.46Å; L106-R110 PolarHBondContact O-N 2.9Å; L106-I119 HydrophobicContact CD1-CD1 3.76Å; L106-I119 HydrophobicContact CD1-CG2 4.42Å; L106-F142 HydrophobicContact CD2-CE1 4.43Å; L106-F142 HydrophobicContact CD2-CZ 4.22Å; L106-N146 HydrophobicContact CD2-CB 3.95Å; L106-L148 HydrophobicContact CD1-CD1 4.4Å; L106-L148 HydrophobicContact CD1-CD2 3.96Å; L106-L148 HydrophobicContact CD2-CD1 4.21Å |
| 107 | K | 93.5 | Very high | 93.5 | Very high | 136 Ų | 136 | 64.6 Ų | 64.6 | 59% | 0.591 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -60.6 | -50.6 | 173.9 | -176.3 | -178.8 | 176 | -175 | 0 | 111.2 | E103 R104 W105 L109 R110 D111 | E103-K107 WeakPolarHBondContact O-CB 3.42Å; E103-K107 PolarHBondContact O-N 2.79Å; R104-K107 PolarHBondContact O-N 3.28Å; W105-K107 VanDerWaalsContact C-N 3.35Å; K107-L109 VanDerWaalsContact C-N 3.27Å; K107-L109 PolarHBondContact O-N 3.15Å; K107-R110 PolarHBondContact O-N 2.81Å; K107-R110 VanDerWaalsContact O-N 3.14Å; K107-D111 WeakPolarHBondContact O-CB 3.22Å; K107-D111 PolarHBondContact O-N 2.89Å |
| 108 | E | 90.5 | Very high | 93.5 | Very high | 25 Ų | 25 | 60.9 Ų | 60.9 | 12% | 0.117 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.4 | -40.9 | -180 | -166.8 | -179.5 | 139.1 | 0 | 0 | 112 | R74 T77 Y81 R104 W105 H112 | R74-E108 IonicContact NH1-OE2 2.69Å; R74-E108 PolarHBondContact NH1-OE2 2.95Å; T77-E108 PolarHBondContact OG1-OE1 2.72Å; T77-E108 VanDerWaalsContact OG1-OE1 3.04Å; Y81-E108 HydrophobicContact CE2-CG 4.23Å; R104-E108 WeakPolarHBondContact O-CB 3.4Å; R104-E108 PolarHBondContact O-N 2.68Å; W105-E108 PolarHBondContact O-N 2.69Å; E108-H112 PolarHBondContact O-ND1 3.37Å |
| 109 | L | 92.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.1 | -49.5 | 175.4 | -176.4 | 68.8 | 0 | 0 | 0 | 111.6 | V15 I17 Y81 A87 W105 L106 K107 D111 H112 A113 I117 I119 | V15-L109 HydrophobicContact CG2-CD1 4.3Å; I17-L109 HydrophobicContact CD1-CB 3.96Å; I17-L109 HydrophobicContact CD1-CD1 4.26Å; I17-L109 HydrophobicContact CD1-CD2 3.86Å; I17-L109 HydrophobicContact CD1-CG 4.25Å; Y81-L109 HydrophobicContact CD1-CD1 3.88Å; Y81-L109 HydrophobicContact CD2-CD1 4.36Å; Y81-L109 HydrophobicContact CE1-CD1 4.18Å; Y81-L109 HydrophobicContact CG-CD1 3.99Å; A87-L109 HydrophobicContact CB-CD1 4.15Å; A87-L109 HydrophobicContact CB-CD2 3.45Å; A87-L109 VanDerWaalsContact CB-CD2 3.45Å; A87-L109 HydrophobicContact CB-CG 4.45Å; W105-L109 WeakPolarHBondContact O-CB 3.46Å; W105-L109 PolarHBondContact O-N 2.82Å; L106-L109 PolarHBondContact O-N 3.3Å; K107-L109 VanDerWaalsContact C-N 3.27Å; K107-L109 PolarHBondContact O-N 3.15Å; L109-D111 VanDerWaalsContact C-N 3.26Å; L109-D111 PolarHBondContact O-N 3.04Å; L109-H112 PolarHBondContact O-N 3.37Å; L109-A113 HydrophobicContact CD1-CB 3.95Å; L109-A113 HydrophobicContact CG-CB 4.22Å; L109-A113 WeakPolarHBondContact O-CB 3.34Å; L109-A113 PolarHBondContact O-N 2.99Å; L109-I117 HydrophobicContact CD1-CD1 3.96Å; L109-I117 HydrophobicContact CD2-CD1 4.33Å; L109-I117 HydrophobicContact CG-CD1 4.37Å; L109-I119 HydrophobicContact CD2-CD1 3.72Å; L109-I119 HydrophobicContact CD2-CG1 3.81Å; L109-I119 HydrophobicContact CD2-CG2 4.31Å |
| 110 | R | 92.9 | Very high | 93.6 | Very high | 120 Ų | 120 | 60.6 Ų | 60.6 | 45% | 0.453 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.9 | -30 | -179.6 | -75.5 | 178.1 | 173.2 | 163.6 | 0.8 | 113.1 | L106 K107 H112 N146 | L106-R110 HydrophobicContact CD1-CG 4.49Å; L106-R110 WeakPolarHBondContact O-CB 3.46Å; L106-R110 WeakPolarHBondContact O-CG 3.46Å; L106-R110 PolarHBondContact O-N 2.9Å; K107-R110 PolarHBondContact O-N 2.81Å; K107-R110 VanDerWaalsContact O-N 3.14Å; R110-H112 VanDerWaalsContact C-N 3.28Å; R110-H112 PolarHBondContact O-N 2.92Å; R110-N146 PolarHBondContact NH2-O 3.01Å |
| 111 | D | 91.3 | Very high | 93.6 | Very high | 106 Ų | 106 | 55.2 Ų | 55.2 | 57% | 0.567 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -71.6 | -19.8 | 178.5 | -69.9 | -15.3 | 0 | 0 | 0 | 113 | K107 L109 | K107-D111 WeakPolarHBondContact O-CB 3.22Å; K107-D111 PolarHBondContact O-N 2.89Å; L109-D111 VanDerWaalsContact C-N 3.26Å; L109-D111 PolarHBondContact O-N 3.04Å |
| 112 | H | 89.3 | Confident | 93.8 | Very high | 98 Ų | 98 | 53.4 Ų | 53.4 | 45% | 0.454 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -130.9 | -20.4 | -169.1 | -64 | 93.3 | 0 | 0 | 0 | 115.5 | Y81 E108 L109 R110 | Y81-H112 HydrophobicContact CD2-CB 3.8Å; E108-H112 PolarHBondContact O-ND1 3.37Å; L109-H112 PolarHBondContact O-N 3.37Å; R110-H112 VanDerWaalsContact C-N 3.28Å; R110-H112 PolarHBondContact O-N 2.92Å |
| 113 | A | 89.6 | Confident | 93.9 | Very high | 18 Ų | 18 | 53.3 Ų | 53.3 | 15% | 0.149 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -87.2 | 173.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | L109 I117 | L109-A113 HydrophobicContact CD1-CB 3.95Å; L109-A113 HydrophobicContact CG-CB 4.22Å; L109-A113 WeakPolarHBondContact O-CB 3.34Å; L109-A113 PolarHBondContact O-N 2.99Å; A113-I117 HydrophobicContact CB-CB 4.32Å; A113-I117 HydrophobicContact CB-CD1 3.73Å; A113-I117 HydrophobicContact CB-CG2 4.05Å |
| 114 | D | 88.8 | Confident | 94 | Very high | 90 Ų | 90 | 46.8 Ų | 46.8 | 48% | 0.481 | 23% | 0.232 | S | C | . | . | trans | -64.1 | 140.8 | 169.2 | -164.8 | -71.4 | 0 | 0 | 0 | 110.1 | N116 I117 | D114-N116 PolarHBondContact O-N 3.2Å; D114-N116 WeakPolarHBondContact OD1-CB 3.17Å; D114-N116 PolarHBondContact OD1-N 2.78Å; D114-N116 PolarHBondContact OD1-ND2 3.3Å; D114-I117 WeakPolarHBondContact O-CB 3.49Å; D114-I117 WeakPolarHBondContact O-CG2 3.18Å; D114-I117 PolarHBondContact O-N 3.18Å | ||
| 115 | S | 88.5 | Confident | 94.2 | Very high | 116 Ų | 116 | 43 Ų | 43 | 81% | 0.811 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -25 | 175.4 | 56.8 | 0 | 0 | 0 | 0 | 114.3 | ||
| 116 | N | 90.2 | Very high | 94.4 | Very high | 92 Ų | 92 | 43.1 Ų | 43.1 | 49% | 0.492 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 12.1 | -179.3 | -57.1 | -80.9 | 0 | 0 | 0 | 113.5 | D114 V118 | D114-N116 PolarHBondContact O-N 3.2Å; D114-N116 WeakPolarHBondContact OD1-CB 3.17Å; D114-N116 PolarHBondContact OD1-N 2.78Å; D114-N116 PolarHBondContact OD1-ND2 3.3Å; N116-V118 PolarHBondContact O-N 2.98Å |
| 117 | I | 95.2 | Very high | 94.5 | Very high | 18 Ų | 18 | 45 Ų | 45 | 9% | 0.092 | 23% | 0.23 | C | C | . | . | trans | -60.9 | 130.8 | 178.6 | -169.5 | 166.8 | 0 | 0 | 0 | 110.7 | A84 A87 L109 A113 D114 I119 | A84-I117 HydrophobicContact CB-CD1 3.94Å; A87-I117 HydrophobicContact CB-CD1 3.97Å; L109-I117 HydrophobicContact CD1-CD1 3.96Å; L109-I117 HydrophobicContact CD2-CD1 4.33Å; L109-I117 HydrophobicContact CG-CD1 4.37Å; A113-I117 HydrophobicContact CB-CB 4.32Å; A113-I117 HydrophobicContact CB-CD1 3.73Å; A113-I117 HydrophobicContact CB-CG2 4.05Å; D114-I117 WeakPolarHBondContact O-CB 3.49Å; D114-I117 WeakPolarHBondContact O-CG2 3.18Å; D114-I117 PolarHBondContact O-N 3.18Å; I117-I119 HydrophobicContact CG2-CD1 4.02Å; I117-I119 HydrophobicContact CG2-CG1 3.94Å | ||
| 118 | V | 97 | Very high | 94.6 | Very high | 10 Ų | 10 | 40.7 Ų | 40.7 | 6% | 0.061 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 127.6 | 173.6 | -179.8 | 0 | 0 | 0 | 0 | 108.9 | V85 G86 A87 N116 I168 E171 I172 I175 | V85-V118 PolarHBondContact O-N 3.4Å; G86-V118 CarbonylContact C-O 3.45Å; G86-V118 WeakPolarHBondContact CA-O 3.32Å; A87-V118 PolarHBondContact N-O 2.89Å; N116-V118 PolarHBondContact O-N 2.98Å; V118-I168 HydrophobicContact CB-CG1 4.48Å; V118-I168 HydrophobicContact CG1-CG1 3.89Å; V118-E171 HydrophobicContact CG1-CB 4.12Å; V118-E171 HydrophobicContact CG1-CG 3.73Å; V118-E171 WeakPolarHBondContact CG1-OE2 3.44Å; V118-E171 HydrophobicContact CG2-CG 4.4Å; V118-I172 HydrophobicContact CB-CG1 3.75Å; V118-I172 HydrophobicContact CG1-CG1 4.34Å; V118-I172 HydrophobicContact CG2-CG1 3.66Å; V118-I175 HydrophobicContact CG2-CD1 3.47Å; V118-I175 VanDerWaalsContact CG2-CD1 3.47Å |
| 119 | I | 97.8 | Very high | 94.8 | Very high | 13 Ų | 13 | 47.8 Ų | 47.8 | 7% | 0.067 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 127.7 | -175.2 | -51.1 | 169.8 | 0 | 0 | 0 | 109.7 | A87 L89 L106 L109 I117 L148 S149 | A87-I119 WeakPolarHBondContact O-CA 3.44Å; L89-I119 HydrophobicContact CB-CG2 4.37Å; L106-I119 HydrophobicContact CD1-CD1 3.76Å; L106-I119 HydrophobicContact CD1-CG2 4.42Å; L109-I119 HydrophobicContact CD2-CD1 3.72Å; L109-I119 HydrophobicContact CD2-CG1 3.81Å; L109-I119 HydrophobicContact CD2-CG2 4.31Å; I117-I119 HydrophobicContact CG2-CD1 4.02Å; I117-I119 HydrophobicContact CG2-CG1 3.94Å; I119-L148 HydrophobicContact CB-CD2 3.75Å; I119-L148 HydrophobicContact CD1-CD2 4.16Å; I119-L148 HydrophobicContact CG2-CD2 3.82Å; I119-L148 WeakPolarHBondContact O-CA 3.12Å; I119-S149 PolarHBondContact O-N 2.91Å; I119-S149 VanDerWaalsContact O-N 3.11Å |
| 120 | M | 98.5 | Very high | 95 | Very high | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.015 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 122.4 | 172.7 | -176.4 | 175.5 | -74.1 | 0 | 0 | 110.4 | A87 L88 L89 V122 S149 I151 A164 N167 I168 | A87-M120 PolarHBondContact O-N 2.82Å; L88-M120 CarbonylContact C-O 3.6Å; L88-M120 WeakPolarHBondContact CA-O 3.31Å; L89-M120 PolarHBondContact N-O 2.8Å; M120-V122 HydrophobicContact CG-CG2 3.98Å; M120-V122 HydrophobicContact SD-CG2 4.29Å; M120-S149 CarbonylContact C-O 3.49Å; M120-S149 WeakPolarHBondContact CA-O 3.37Å; M120-I151 HydrophobicContact CG-CG2 4.28Å; M120-I151 HydrophobicContact SD-CG2 3.66Å; M120-A164 HydrophobicContact SD-CB 4.11Å; M120-N167 HydrophobicContact CE-CB 3.65Å; M120-I168 HydrophobicContact CB-CD1 4.09Å; M120-I168 HydrophobicContact CB-CG1 4.47Å; M120-I168 HydrophobicContact CE-CB 3.97Å |
| 121 | L | 98.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 127.5 | 167.5 | -176.6 | 68.3 | 0 | 0 | 0 | 109.5 | L89 Y91 V102 A139 F142 A143 L148 S149 F150 I151 | L89-L121 HydrophobicContact CD2-CD1 4.48Å; L89-L121 HydrophobicContact CG-CD1 4.14Å; L89-L121 WeakPolarHBondContact O-CA 3.28Å; Y91-L121 HydrophobicContact CD1-CD1 3.81Å; Y91-L121 HydrophobicContact CD1-CG 4.22Å; Y91-L121 HydrophobicContact CE1-CD1 4.06Å; Y91-L121 HydrophobicContact CE1-CD2 4.21Å; Y91-L121 HydrophobicContact CE1-CG 3.96Å; V102-L121 HydrophobicContact CG1-CD1 3.63Å; V102-L121 HydrophobicContact CG2-CD1 4.09Å; L121-A139 HydrophobicContact CD2-CB 4.36Å; L121-F142 HydrophobicContact CD2-CD1 4.02Å; L121-A143 HydrophobicContact CB-CB 4.4Å; L121-A143 HydrophobicContact CD2-CB 4.08Å; L121-L148 HydrophobicContact CB-CD1 4.36Å; L121-S149 PolarHBondContact N-O 3.06Å; L121-F150 HydrophobicContact CB-CD2 4.05Å; L121-F150 HydrophobicContact CD2-CD2 3.84Å; L121-F150 HydrophobicContact CD2-CE2 4.2Å; L121-F150 HydrophobicContact CG-CD2 3.94Å; L121-F150 HydrophobicContact CG-CE2 4.37Å; L121-F150 WeakPolarHBondContact O-CA 3.38Å; L121-F150 WeakPolarHBondContact O-CD2 3.31Å; L121-I151 PolarHBondContact O-N 2.88Å; L121-I151 VanDerWaalsContact O-N 3.1Å |
| 122 | V | 98.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 111.2 | -177.2 | -177.9 | 0 | 0 | 0 | 0 | 110.3 | L27 L88 L89 V90 Y91 M120 N124 I151 T153 | L27-V122 HydrophobicContact CD1-CG1 4.23Å; L88-V122 HydrophobicContact CB-CG2 4.15Å; L88-V122 HydrophobicContact CD2-CG2 4.12Å; L88-V122 HydrophobicContact CG-CG2 4.17Å; L89-V122 PolarHBondContact O-N 3.49Å; V90-V122 WeakPolarHBondContact CA-O 3.28Å; V90-V122 HydrophobicContact CG1-CB 4.44Å; V90-V122 HydrophobicContact CG1-CG1 4.43Å; V90-V122 HydrophobicContact CG2-CB 4.24Å; Y91-V122 WeakPolarHBondContact CD1-O 3.48Å; Y91-V122 PolarHBondContact N-O 2.6Å; M120-V122 HydrophobicContact CG-CG2 3.98Å; M120-V122 HydrophobicContact SD-CG2 4.29Å; V122-N124 PolarHBondContact O-N 3.37Å; V122-I151 VanDerWaalsContact CA-O 3.32Å; V122-I151 WeakPolarHBondContact CA-O 3.44Å; V122-I151 HydrophobicContact CG2-CG2 4.14Å; V122-T153 HydrophobicContact CG1-CG2 3.69Å; V122-T153 VanDerWaalsContact CG1-OG1 3.27Å; V122-T153 WeakPolarHBondContact CG1-OG1 3.26Å |
| 123 | G | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 93.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | I151 E152 T153 | G123-I151 PolarHBondContact N-O 3.2Å; G123-E152 CarbonylContact O-C 3.59Å; G123-E152 WeakPolarHBondContact O-CA 3.38Å; G123-E152 WeakPolarHBondContact O-CB 3.38Å; G123-T153 PolarHBondContact O-N 2.86Å |
| 124 | N | 98.7 | Very high | 96.3 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.011 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 164.3 | -177 | -166.9 | 35.6 | 0 | 0 | 0 | 112.6 | V22 L27 V90 Y91 I93 V122 T153 A155 | V22-N124 PolarHBondContact O-ND2 2.93Å; L27-N124 HydrophobicContact CD1-CB 4.26Å; V90-N124 HydrophobicContact CG1-CB 3.77Å; Y91-N124 PolarHBondContact O-N 3.4Å; I93-N124 WeakPolarHBondContact CG1-O 3.29Å; I93-N124 PolarHBondContact N-O 3.38Å; V122-N124 PolarHBondContact O-N 3.37Å; N124-T153 CarbonylContact C-O 3.33Å; N124-T153 VanDerWaalsContact C-O 3.31Å; N124-T153 VanDerWaalsContact CA-O 3.26Å; N124-T153 WeakPolarHBondContact CA-O 3.46Å; N124-T153 PolarHBondContact OD1-O 2.68Å; N124-T153 PolarHBondContact OD1-OG1 2.56Å; N124-A155 PolarHBondContact OD1-N 3.25Å |
| 125 | K | 98.1 | Very high | 96.7 | Very high | 50 Ų | 50 | 47.9 Ų | 47.9 | 22% | 0.217 | 25% | 0.248 | C | C | . | . | trans | 70.5 | 38.2 | -177 | -44.9 | -169.1 | -166.1 | 169.2 | 0 | 113.6 | G21 D92 I93 D127 L128 T153 | G21-K125 WeakPolarHBondContact O-CE 3.31Å; G21-K125 PolarHBondContact O-NZ 3.38Å; D92-K125 WeakPolarHBondContact OD2-CD 3.27Å; D92-K125 VanDerWaalsContact OD2-CE 3.24Å; D92-K125 WeakPolarHBondContact OD2-CE 3.31Å; D92-K125 IonicContact OD2-NZ 2.78Å; D92-K125 PolarHBondContact OD2-NZ 3.44Å; I93-K125 WeakPolarHBondContact CD1-O 3.31Å; I93-K125 VanDerWaalsContact CG1-O 3.31Å; I93-K125 WeakPolarHBondContact CG1-O 3.26Å; K125-D127 WeakPolarHBondContact CA-OD1 3.46Å; K125-D127 PolarHBondContact O-N 3.04Å; K125-L128 HydrophobicContact CB-CD1 4.07Å; K125-L128 HydrophobicContact CB-CG 4.27Å; K125-L128 HydrophobicContact CD-CD1 4.06Å; K125-L128 WeakPolarHBondContact O-CB 3.45Å; K125-L128 PolarHBondContact O-N 2.92Å; K125-T153 PolarHBondContact N-O 3.35Å | ||
| 126 | S | 98.1 | Very high | 97.2 | Very high | 5 Ų | 5 | 44 Ų | 44 | 4% | 0.035 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -9.4 | 176.8 | 69.1 | 0 | 0 | 0 | 0 | 114.5 | L128 R129 T153 S154 | S126-L128 VanDerWaalsContact C-N 3.34Å; S126-R129 WeakPolarHBondContact O-CG 3.35Å; S126-R129 PolarHBondContact O-NE 2.71Å; S126-T153 WeakPolarHBondContact CB-O 3.09Å; S126-T153 PolarHBondContact N-O 2.96Å; S126-T153 PolarHBondContact OG-O 3.45Å; S126-S154 WeakPolarHBondContact OG-CB 3.08Å; S126-S154 PolarHBondContact OG-N 2.92Å |
| 127 | D | 97.7 | Very high | 97.5 | Very high | 42 Ų | 42 | 44.9 Ų | 44.9 | 23% | 0.225 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -29.6 | 167.3 | 55 | -75.4 | 0 | 0 | 0 | 112.6 | K125 R129 S154 L156 | K125-D127 WeakPolarHBondContact CA-OD1 3.46Å; K125-D127 PolarHBondContact O-N 3.04Å; D127-R129 PolarHBondContact O-N 3.49Å; D127-S154 VanDerWaalsContact CG-OG 3.32Å; D127-S154 VanDerWaalsContact OD1-CB 3.25Å; D127-S154 WeakPolarHBondContact OD1-CB 3.18Å; D127-S154 PolarHBondContact OD1-OG 2.87Å; D127-L156 HydrophobicContact CB-CD2 4.28Å; D127-L156 VanDerWaalsContact OD2-CD2 3.31Å; D127-L156 WeakPolarHBondContact OD2-CD2 3.15Å |
| 128 | L | 96 | Very high | 97.6 | Very high | 47 Ų | 47 | 48 Ų | 48 | 25% | 0.246 | 24% | 0.238 | C | C | . | . | trans | -82.5 | 39 | 178.7 | -58.4 | -177.7 | 0 | 0 | 0 | 112.8 | A94 K125 S126 H130 L131 R132 | A94-L128 HydrophobicContact CB-CB 4.2Å; A94-L128 HydrophobicContact CB-CD1 4.09Å; K125-L128 HydrophobicContact CB-CD1 4.07Å; K125-L128 HydrophobicContact CB-CG 4.27Å; K125-L128 HydrophobicContact CD-CD1 4.06Å; K125-L128 WeakPolarHBondContact O-CB 3.45Å; K125-L128 PolarHBondContact O-N 2.92Å; S126-L128 VanDerWaalsContact C-N 3.34Å; L128-H130 PolarHBondContact O-N 3.43Å; L128-L131 HydrophobicContact CB-CB 4.47Å; L128-L131 CarbonylContact O-C 3.56Å; L128-L131 PolarHBondContact O-N 2.84Å; L128-R132 PolarHBondContact O-N 2.86Å | ||
| 129 | R | 94.8 | Very high | 97.7 | Very high | 174 Ų | 174 | 47.5 Ų | 47.5 | 66% | 0.657 | 24% | 0.236 | S | C | * | . | G | 310 helix | trans | -53.8 | -34.3 | -176.2 | -57.6 | -170.8 | 179.5 | -172.6 | -0.2 | 113.4 | S126 D127 L131 R132 | S126-R129 WeakPolarHBondContact O-CG 3.35Å; S126-R129 PolarHBondContact O-NE 2.71Å; D127-R129 PolarHBondContact O-N 3.49Å; R129-L131 VanDerWaalsContact C-N 3.25Å; R129-L131 PolarHBondContact O-N 3.44Å; R129-R132 WeakPolarHBondContact O-CB 3.38Å; R129-R132 PolarHBondContact O-N 3.12Å |
| 130 | H | 95.8 | Very high | 97.7 | Very high | 150 Ų | 150 | 51.9 Ų | 51.9 | 69% | 0.694 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -72.5 | -15.4 | 179.8 | 61.5 | -77.4 | 0 | 0 | 0 | 113.7 | L128 | L128-H130 PolarHBondContact O-N 3.43Š|
| 131 | L | 97 | Very high | 97.7 | Very high | 100 Ų | 100 | 54.2 Ų | 54.2 | 52% | 0.524 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -111 | 12.8 | 175.7 | -59.8 | 175.5 | 0 | 0 | 0 | 112.2 | A94 L128 R129 A133 | A94-L131 WeakPolarHBondContact CA-O 3.35Å; A94-L131 HydrophobicContact CB-CB 4.01Å; L128-L131 HydrophobicContact CB-CB 4.47Å; L128-L131 CarbonylContact O-C 3.56Å; L128-L131 PolarHBondContact O-N 2.84Å; R129-L131 VanDerWaalsContact C-N 3.25Å; R129-L131 PolarHBondContact O-N 3.44Å; L131-A133 PolarHBondContact O-N 3.15Å; L131-A133 VanDerWaalsContact O-N 3.11Å |
| 132 | R | 98.1 | Very high | 97.7 | Very high | 74 Ų | 74 | 56 Ų | 56 | 28% | 0.279 | 28% | 0.279 | S | S | . | . | trans | -56.3 | 119.9 | -176.5 | 178.2 | 179.6 | -70 | -86.5 | 5.9 | 110.6 | L128 R129 V134 T136 E152 | L128-R132 PolarHBondContact O-N 2.86Å; R129-R132 WeakPolarHBondContact O-CB 3.38Å; R129-R132 PolarHBondContact O-N 3.12Å; R132-V134 VanDerWaalsContact CD-O 3.3Å; R132-V134 WeakPolarHBondContact CD-O 3.07Å; R132-V134 WeakPolarHBondContact CG-O 3.2Å; R132-V134 PolarHBondContact NH1-O 2.89Å; R132-T136 PolarHBondContact NH1-OG1 3.37Å; R132-T136 VanDerWaalsContact NH1-OG1 3.15Å; R132-E152 IonicContact CZ-OE1 2.72Å; R132-E152 IonicContact CZ-OE2 3.58Å; R132-E152 IonicContact NH1-OE1 3.59Å; R132-E152 PolarHBondContact NH1-OE1 3.35Å; R132-E152 IonicContact NH1-OE2 3.37Å; R132-E152 IonicContact NH2-OE1 3.63Å; R132-E152 PolarHBondContact NH2-OE1 2.86Å; R132-E152 IonicContact NH2-OE2 3.46Å; R132-E152 PolarHBondContact NH2-OE2 2.82Å | ||
| 133 | A | 97.8 | Very high | 97.7 | Very high | 42 Ų | 42 | 56 Ų | 56 | 35% | 0.347 | 28% | 0.279 | S | S | . | . | trans | -102.8 | -18.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I93 H96 L131 | I93-A133 PolarHBondContact O-N 3.31Å; H96-A133 HydrophobicContact CB-CB 4.12Å; L131-A133 PolarHBondContact O-N 3.15Å; L131-A133 VanDerWaalsContact O-N 3.11Å | ||
| 134 | V | 97.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -117.4 | 111.1 | -179.9 | -174.2 | 0 | 0 | 0 | 0 | 109.7 | Y91 I93 Y99 R132 A139 | Y91-V134 HydrophobicContact CD2-CG2 4.32Å; Y91-V134 HydrophobicContact CE2-CB 3.91Å; Y91-V134 HydrophobicContact CE2-CG1 3.82Å; Y91-V134 HydrophobicContact CE2-CG2 4.03Å; I93-V134 PolarHBondContact O-N 2.83Å; I93-V134 VanDerWaalsContact O-N 3.12Å; Y99-V134 HydrophobicContact CD1-CG1 3.92Å; Y99-V134 HydrophobicContact CD1-CG2 4.25Å; Y99-V134 HydrophobicContact CD2-CG1 3.86Å; Y99-V134 HydrophobicContact CE1-CG1 4.19Å; Y99-V134 HydrophobicContact CE2-CG1 4.13Å; Y99-V134 HydrophobicContact CG-CG1 3.75Å; Y99-V134 HydrophobicContact CG-CG2 3.93Å; R132-V134 VanDerWaalsContact CD-O 3.3Å; R132-V134 WeakPolarHBondContact CD-O 3.07Å; R132-V134 WeakPolarHBondContact CG-O 3.2Å; R132-V134 PolarHBondContact NH1-O 2.89Å; V134-A139 HydrophobicContact CG1-CB 4.25Å |
| 135 | P | 97.6 | Very high | 97.6 | Very high | 67 Ų | 67 | 70.6 Ų | 70.6 | 44% | 0.435 | 34% | 0.344 | S | S | . | . | trans | -57.7 | 135.6 | 171.9 | -23.1 | 33.5 | 0 | 0 | 0 | 111.9 | D137 E138 A139 | P135-D137 PolarHBondContact O-N 2.98Å; P135-E138 HydrophobicContact CB-CB 4.15Å; P135-E138 WeakPolarHBondContact CD-OE2 3.45Å; P135-E138 WeakPolarHBondContact O-CB 3.39Å; P135-E138 PolarHBondContact O-N 3.01Å; P135-A139 PolarHBondContact O-N 3.43Å | ||
| 136 | T | 97.8 | Very high | 97.5 | Very high | 35 Ų | 35 | 69.6 Ų | 69.6 | 22% | 0.215 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.6 | -38 | -179.8 | -55.7 | 0 | 0 | 0 | 0 | 112.2 | R132 E138 A139 R140 F150 E152 | R132-T136 PolarHBondContact NH1-OG1 3.37Å; R132-T136 VanDerWaalsContact NH1-OG1 3.15Å; T136-E138 VanDerWaalsContact C-N 3.33Å; T136-E138 PolarHBondContact O-N 2.93Å; T136-A139 PolarHBondContact O-N 3.14Å; T136-R140 WeakPolarHBondContact O-CB 3.32Å; T136-R140 PolarHBondContact O-N 2.94Å; T136-F150 HydrophobicContact CG2-CE1 3.85Å; T136-F150 HydrophobicContact CG2-CZ 4.24Å; T136-E152 WeakPolarHBondContact CB-OE1 3.34Å; T136-E152 HydrophobicContact CG2-CG 4.49Å; T136-E152 WeakPolarHBondContact CG2-OE1 3.39Å; T136-E152 PolarHBondContact OG1-OE1 3.44Å |
| 137 | D | 97.8 | Very high | 97.4 | Very high | 111 Ų | 111 | 76.5 Ų | 76.5 | 59% | 0.594 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -70.4 | -31.5 | -178.5 | -62.1 | -25 | 0 | 0 | 0 | 112.3 | P135 R140 A141 | P135-D137 PolarHBondContact O-N 2.98Å; D137-R140 IonicContact OD1-CZ 3.7Å; D137-R140 IonicContact OD1-NH1 2.94Å; D137-R140 PolarHBondContact OD1-NH1 2.93Å; D137-A141 VanDerWaalsContact O-CB 3.31Å; D137-A141 WeakPolarHBondContact O-CB 3.45Å; D137-A141 PolarHBondContact O-N 3.48Å |
| 138 | E | 97.6 | Very high | 97.4 | Very high | 83 Ų | 83 | 75.1 Ų | 75.1 | 39% | 0.388 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.5 | -49 | 174.5 | -172.6 | -174.2 | 160.1 | 0 | 0 | 110.8 | Y99 P135 T136 R140 A141 F142 | Y99-E138 HydrophobicContact CE1-CG 4.29Å; Y99-E138 VanDerWaalsContact CE1-OE1 3.29Å; Y99-E138 WeakPolarHBondContact CE1-OE1 3.36Å; Y99-E138 PolarHBondContact OH-O 3.34Å; P135-E138 HydrophobicContact CB-CB 4.15Å; P135-E138 WeakPolarHBondContact CD-OE2 3.45Å; P135-E138 WeakPolarHBondContact O-CB 3.39Å; P135-E138 PolarHBondContact O-N 3.01Å; T136-E138 VanDerWaalsContact C-N 3.33Å; T136-E138 PolarHBondContact O-N 2.93Å; E138-R140 VanDerWaalsContact C-N 3.34Å; E138-R140 PolarHBondContact O-N 3.22Å; E138-A141 PolarHBondContact O-N 2.83Å; E138-F142 PolarHBondContact O-N 3.2Å |
| 139 | A | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65 | -37.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y91 Y99 L121 V134 P135 T136 F142 A143 F150 | Y91-A139 HydrophobicContact CE1-CB 4.31Å; Y91-A139 WeakPolarHBondContact OH-CB 3.29Å; Y99-A139 HydrophobicContact CE2-CB 3.83Å; L121-A139 HydrophobicContact CD2-CB 4.36Å; V134-A139 HydrophobicContact CG1-CB 4.25Å; P135-A139 PolarHBondContact O-N 3.43Å; T136-A139 PolarHBondContact O-N 3.14Å; A139-F142 PolarHBondContact O-N 2.84Å; A139-A143 WeakPolarHBondContact O-CB 3.28Å; A139-A143 PolarHBondContact O-N 3.29Å; A139-F150 HydrophobicContact CB-CE2 3.74Å; A139-F150 HydrophobicContact CB-CZ 3.72Å |
| 140 | R | 98.2 | Very high | 97.7 | Very high | 104 Ų | 104 | 68.8 Ų | 68.8 | 39% | 0.392 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.9 | -47 | 173.6 | -171.7 | -177.9 | -62.1 | 120.1 | 4.2 | 111.4 | T136 D137 E138 F142 A143 E144 F150 | T136-R140 WeakPolarHBondContact O-CB 3.32Å; T136-R140 PolarHBondContact O-N 2.94Å; D137-R140 IonicContact OD1-CZ 3.7Å; D137-R140 IonicContact OD1-NH1 2.94Å; D137-R140 PolarHBondContact OD1-NH1 2.93Å; E138-R140 VanDerWaalsContact C-N 3.34Å; E138-R140 PolarHBondContact O-N 3.22Å; R140-F142 VanDerWaalsContact C-N 3.3Å; R140-F142 PolarHBondContact O-N 3.34Å; R140-A143 WeakPolarHBondContact O-CB 3.49Å; R140-A143 PolarHBondContact O-N 2.83Å; R140-A143 VanDerWaalsContact O-N 3.14Å; R140-E144 WeakPolarHBondContact O-CG 3.3Å; R140-E144 PolarHBondContact O-N 2.95Å; R140-F150 HydrophobicContact CB-CD1 3.87Å; R140-F150 HydrophobicContact CB-CE1 4.04Å; R140-F150 HydrophobicContact CG-CD1 4.19Å |
| 141 | A | 98.3 | Very high | 97.8 | Very high | 53 Ų | 53 | 62.3 Ų | 62.3 | 44% | 0.438 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.9 | -38.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | D137 E138 K145 | D137-A141 VanDerWaalsContact O-CB 3.31Å; D137-A141 WeakPolarHBondContact O-CB 3.45Å; D137-A141 PolarHBondContact O-N 3.48Å; E138-A141 PolarHBondContact O-N 2.83Å; A141-K145 VanDerWaalsContact O-CB 3.26Å; A141-K145 WeakPolarHBondContact O-CB 3.5Å; A141-K145 PolarHBondContact O-N 2.84Å |
| 142 | F | 98.5 | Very high | 97.9 | Very high | 37 Ų | 37 | 58.9 Ų | 58.9 | 16% | 0.162 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 172.9 | 176.5 | -84.7 | 0 | 0 | 0 | 112.1 | Y99 V102 L106 L121 E138 A139 R140 K145 N146 L148 | Y99-F142 VanDerWaalsContact OH-CB 3.28Å; Y99-F142 WeakPolarHBondContact OH-CB 3.41Å; V102-F142 HydrophobicContact CG1-CD1 4.3Å; V102-F142 HydrophobicContact CG1-CE1 3.46Å; V102-F142 VanDerWaalsContact CG1-CE1 3.46Å; V102-F142 HydrophobicContact CG1-CZ 3.77Å; L106-F142 HydrophobicContact CD2-CE1 4.43Å; L106-F142 HydrophobicContact CD2-CZ 4.22Å; L121-F142 HydrophobicContact CD2-CD1 4.02Å; E138-F142 PolarHBondContact O-N 3.2Å; A139-F142 PolarHBondContact O-N 2.84Å; R140-F142 VanDerWaalsContact C-N 3.3Å; R140-F142 PolarHBondContact O-N 3.34Å; F142-K145 PolarHBondContact O-N 2.93Å; F142-N146 WeakPolarHBondContact CE2-ND2 3.11Å; F142-N146 WeakPolarHBondContact CZ-ND2 3.23Å; F142-N146 WeakPolarHBondContact O-CB 3.18Å; F142-N146 PolarHBondContact O-N 3.23Å; F142-N146 VanDerWaalsContact O-N 3.11Å; F142-N146 PolarHBondContact O-ND2 2.99Å; F142-L148 HydrophobicContact CE1-CD1 4.06Å |
| 143 | A | 98.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.008 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63 | -47.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L121 A139 R140 K145 N146 N147 L148 F150 | L121-A143 HydrophobicContact CB-CB 4.4Å; L121-A143 HydrophobicContact CD2-CB 4.08Å; A139-A143 WeakPolarHBondContact O-CB 3.28Å; A139-A143 PolarHBondContact O-N 3.29Å; R140-A143 WeakPolarHBondContact O-CB 3.49Å; R140-A143 PolarHBondContact O-N 2.83Å; R140-A143 VanDerWaalsContact O-N 3.14Å; A143-K145 PolarHBondContact O-N 3.49Å; A143-N146 CarbonylContact O-C 3.46Å; A143-N146 PolarHBondContact O-N 3.31Å; A143-N146 VanDerWaalsContact O-N 3.13Å; A143-N147 PolarHBondContact O-N 3.42Å; A143-L148 HydrophobicContact CB-CB 4.14Å; A143-L148 PolarHBondContact O-N 2.85Å; A143-F150 HydrophobicContact CB-CB 3.7Å; A143-F150 HydrophobicContact CB-CG 4.35Å |
| 144 | E | 97.7 | Very high | 97.9 | Very high | 131 Ų | 131 | 53.3 Ų | 53.3 | 61% | 0.612 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -58.8 | -48.3 | 176.1 | -72.3 | 173.7 | -174 | 0 | 0 | 111.6 | R140 N146 N147 | R140-E144 WeakPolarHBondContact O-CG 3.3Å; R140-E144 PolarHBondContact O-N 2.95Å; E144-N146 PolarHBondContact O-N 3.33Å; E144-N146 VanDerWaalsContact O-N 3.16Å; E144-N147 PolarHBondContact O-N 2.84Å; E144-N147 VanDerWaalsContact O-N 3.13Å |
| 145 | K | 97.9 | Very high | 97.9 | Very high | 176 Ų | 176 | 53.5 Ų | 53.5 | 77% | 0.765 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -56.8 | -32.6 | 177 | -179.4 | -178.6 | 175.7 | -173.7 | 0 | 112.7 | A141 F142 A143 | A141-K145 VanDerWaalsContact O-CB 3.26Å; A141-K145 WeakPolarHBondContact O-CB 3.5Å; A141-K145 PolarHBondContact O-N 2.84Å; F142-K145 PolarHBondContact O-N 2.93Å; A143-K145 PolarHBondContact O-N 3.49Å |
| 146 | N | 97 | Very high | 97.9 | Very high | 30 Ų | 30 | 54 Ų | 54 | 16% | 0.16 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 5.6 | -177.2 | -75.4 | -76.9 | 0 | 0 | 0 | 114.1 | L106 R110 F142 A143 E144 L148 | L106-N146 HydrophobicContact CD2-CB 3.95Å; R110-N146 PolarHBondContact NH2-O 3.01Å; F142-N146 WeakPolarHBondContact CE2-ND2 3.11Å; F142-N146 WeakPolarHBondContact CZ-ND2 3.23Å; F142-N146 WeakPolarHBondContact O-CB 3.18Å; F142-N146 PolarHBondContact O-N 3.23Å; F142-N146 VanDerWaalsContact O-N 3.11Å; F142-N146 PolarHBondContact O-ND2 2.99Å; A143-N146 CarbonylContact O-C 3.46Å; A143-N146 PolarHBondContact O-N 3.31Å; A143-N146 VanDerWaalsContact O-N 3.13Å; E144-N146 PolarHBondContact O-N 3.33Å; E144-N146 VanDerWaalsContact O-N 3.16Å; N146-L148 HydrophobicContact CB-CD1 3.91Å; N146-L148 HydrophobicContact CB-CD2 4.19Å; N146-L148 HydrophobicContact CB-CG 3.74Å; N146-L148 WeakPolarHBondContact O-CD2 3.42Å |
| 147 | N | 96.2 | Very high | 97.8 | Very high | 149 Ų | 149 | 56 Ų | 56 | 80% | 0.797 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 49.1 | -175 | -51.9 | -69.4 | 0 | 0 | 0 | 112.9 | A143 E144 | A143-N147 PolarHBondContact O-N 3.42Å; E144-N147 PolarHBondContact O-N 2.84Å; E144-N147 VanDerWaalsContact O-N 3.13Å |
| 148 | L | 97.6 | Very high | 97.8 | Very high | 14 Ų | 14 | 53.6 Ų | 53.6 | 7% | 0.073 | 27% | 0.274 | C | S | . | . | trans | -113.2 | 143 | 177.3 | -40.2 | 176.8 | 0 | 0 | 0 | 109.5 | L106 I119 L121 F142 A143 N146 | L106-L148 HydrophobicContact CD1-CD1 4.4Å; L106-L148 HydrophobicContact CD1-CD2 3.96Å; L106-L148 HydrophobicContact CD2-CD1 4.21Å; I119-L148 HydrophobicContact CB-CD2 3.75Å; I119-L148 HydrophobicContact CD1-CD2 4.16Å; I119-L148 HydrophobicContact CG2-CD2 3.82Å; I119-L148 WeakPolarHBondContact O-CA 3.12Å; L121-L148 HydrophobicContact CB-CD1 4.36Å; F142-L148 HydrophobicContact CE1-CD1 4.06Å; A143-L148 HydrophobicContact CB-CB 4.14Å; A143-L148 PolarHBondContact O-N 2.85Å; N146-L148 HydrophobicContact CB-CD1 3.91Å; N146-L148 HydrophobicContact CB-CD2 4.19Å; N146-L148 HydrophobicContact CB-CG 3.74Å; N146-L148 WeakPolarHBondContact O-CD2 3.42Å | ||
| 149 | S | 97.7 | Very high | 97.8 | Very high | 39 Ų | 39 | 51.8 Ų | 51.8 | 27% | 0.273 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 149.4 | 163.4 | -72.7 | 0 | 0 | 0 | 0 | 109.5 | I119 M120 L121 E171 | I119-S149 PolarHBondContact O-N 2.91Å; I119-S149 VanDerWaalsContact O-N 3.11Å; M120-S149 CarbonylContact C-O 3.49Å; M120-S149 WeakPolarHBondContact CA-O 3.37Å; L121-S149 PolarHBondContact N-O 3.06Å; S149-E171 PolarHBondContact OG-OE2 2.92Å |
| 150 | F | 98.6 | Very high | 97.8 | Very high | 48 Ų | 48 | 54.6 Ų | 54.6 | 21% | 0.211 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 137.1 | -178.2 | 174.9 | -116 | 0 | 0 | 0 | 112.6 | Y91 L121 T136 A139 R140 A143 E152 | Y91-F150 HydrophobicContact CE1-CE2 4.24Å; L121-F150 HydrophobicContact CB-CD2 4.05Å; L121-F150 HydrophobicContact CD2-CD2 3.84Å; L121-F150 HydrophobicContact CD2-CE2 4.2Å; L121-F150 HydrophobicContact CG-CD2 3.94Å; L121-F150 HydrophobicContact CG-CE2 4.37Å; L121-F150 WeakPolarHBondContact O-CA 3.38Å; L121-F150 WeakPolarHBondContact O-CD2 3.31Å; T136-F150 HydrophobicContact CG2-CE1 3.85Å; T136-F150 HydrophobicContact CG2-CZ 4.24Å; A139-F150 HydrophobicContact CB-CE2 3.74Å; A139-F150 HydrophobicContact CB-CZ 3.72Å; R140-F150 HydrophobicContact CB-CD1 3.87Å; R140-F150 HydrophobicContact CB-CE1 4.04Å; R140-F150 HydrophobicContact CG-CD1 4.19Å; A143-F150 HydrophobicContact CB-CB 3.7Å; A143-F150 HydrophobicContact CB-CG 4.35Å; F150-E152 HydrophobicContact CE1-CG 4.33Å; F150-E152 HydrophobicContact CE2-CG 4.33Å; F150-E152 HydrophobicContact CZ-CG 3.68Å |
| 151 | I | 98.6 | Very high | 97.8 | Very high | 15 Ų | 15 | 49.8 Ų | 49.8 | 8% | 0.077 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 149 | 172.6 | -164.1 | 164.8 | 0 | 0 | 0 | 110.5 | M120 L121 V122 G123 T153 N160 E163 A164 | M120-I151 HydrophobicContact CG-CG2 4.28Å; M120-I151 HydrophobicContact SD-CG2 3.66Å; L121-I151 PolarHBondContact O-N 2.88Å; L121-I151 VanDerWaalsContact O-N 3.1Å; V122-I151 VanDerWaalsContact CA-O 3.32Å; V122-I151 WeakPolarHBondContact CA-O 3.44Å; V122-I151 HydrophobicContact CG2-CG2 4.14Å; G123-I151 PolarHBondContact N-O 3.2Å; I151-T153 HydrophobicContact CG2-CG2 4.16Å; I151-N160 HydrophobicContact CD1-CB 3.77Å; I151-N160 HydrophobicContact CG1-CB 4.01Å; I151-E163 HydrophobicContact CD1-CB 4.11Å; I151-E163 HydrophobicContact CD1-CG 3.82Å; I151-A164 HydrophobicContact CD1-CB 4.43Å; I151-A164 HydrophobicContact CG2-CB 3.72Å |
| 152 | E | 98.7 | Very high | 97.8 | Very high | 27 Ų | 27 | 50.3 Ų | 50.3 | 13% | 0.126 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 137.8 | 168.1 | -66.7 | -170.4 | 169.1 | 0 | 0 | 110.3 | G123 R132 T136 F150 N160 | G123-E152 CarbonylContact O-C 3.59Å; G123-E152 WeakPolarHBondContact O-CA 3.38Å; G123-E152 WeakPolarHBondContact O-CB 3.38Å; R132-E152 IonicContact CZ-OE1 2.72Å; R132-E152 IonicContact CZ-OE2 3.58Å; R132-E152 IonicContact NH1-OE1 3.59Å; R132-E152 PolarHBondContact NH1-OE1 3.35Å; R132-E152 IonicContact NH1-OE2 3.37Å; R132-E152 IonicContact NH2-OE1 3.63Å; R132-E152 PolarHBondContact NH2-OE1 2.86Å; R132-E152 IonicContact NH2-OE2 3.46Å; R132-E152 PolarHBondContact NH2-OE2 2.82Å; T136-E152 WeakPolarHBondContact CB-OE1 3.34Å; T136-E152 HydrophobicContact CG2-CG 4.49Å; T136-E152 WeakPolarHBondContact CG2-OE1 3.39Å; T136-E152 PolarHBondContact OG1-OE1 3.44Å; F150-E152 HydrophobicContact CE1-CG 4.33Å; F150-E152 HydrophobicContact CE2-CG 4.33Å; F150-E152 HydrophobicContact CZ-CG 3.68Å; E152-N160 VanDerWaalsContact O-CB 3.25Å; E152-N160 WeakPolarHBondContact O-CB 3.46Å; E152-N160 PolarHBondContact O-ND2 3.1Å |
| 153 | T | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 158.9 | -174.8 | 61.5 | 0 | 0 | 0 | 0 | 111.8 | V122 G123 N124 K125 S126 I151 T159 N160 A164 | V122-T153 HydrophobicContact CG1-CG2 3.69Å; V122-T153 VanDerWaalsContact CG1-OG1 3.27Å; V122-T153 WeakPolarHBondContact CG1-OG1 3.26Å; G123-T153 PolarHBondContact O-N 2.86Å; N124-T153 CarbonylContact C-O 3.33Å; N124-T153 VanDerWaalsContact C-O 3.31Å; N124-T153 VanDerWaalsContact CA-O 3.26Å; N124-T153 WeakPolarHBondContact CA-O 3.46Å; N124-T153 PolarHBondContact OD1-O 2.68Å; N124-T153 PolarHBondContact OD1-OG1 2.56Å; K125-T153 PolarHBondContact N-O 3.35Å; S126-T153 WeakPolarHBondContact CB-O 3.09Å; S126-T153 PolarHBondContact N-O 2.96Å; S126-T153 PolarHBondContact OG-O 3.45Å; I151-T153 HydrophobicContact CG2-CG2 4.16Å; T153-T159 CarbonylContact C-O 3.57Å; T153-T159 VanDerWaalsContact CA-O 3.31Å; T153-T159 WeakPolarHBondContact CA-O 2.93Å; T153-N160 HydrophobicContact CG2-CB 4.05Å; T153-A164 HydrophobicContact CG2-CB 3.97Å |
| 154 | S | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | -130 | 116.7 | 160.5 | 171.4 | 0 | 0 | 0 | 0 | 109.6 | S126 D127 L156 D157 S158 T159 V161 | S126-S154 WeakPolarHBondContact OG-CB 3.08Å; S126-S154 PolarHBondContact OG-N 2.92Å; D127-S154 VanDerWaalsContact CG-OG 3.32Å; D127-S154 VanDerWaalsContact OD1-CB 3.25Å; D127-S154 WeakPolarHBondContact OD1-CB 3.18Å; D127-S154 PolarHBondContact OD1-OG 2.87Å; S154-L156 PolarHBondContact O-N 3.21Å; S154-L156 PolarHBondContact OG-N 3.45Å; S154-D157 WeakPolarHBondContact CB-OD1 3.41Å; S154-D157 PolarHBondContact OG-N 2.88Å; S154-D157 PolarHBondContact OG-OD1 2.9Å; S154-S158 CarbonylContact O-C 3.31Å; S154-S158 WeakPolarHBondContact O-CA 3.32Å; S154-S158 PolarHBondContact O-N 3.22Å; S154-T159 PolarHBondContact N-O 3.09Å; S154-T159 PolarHBondContact O-N 3.36Å; S154-V161 WeakPolarHBondContact O-CG2 3.31Å | ||
| 155 | A | 97.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 47 Ų | 47 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -26.1 | 171 | 0 | 0 | 0 | 0 | 0 | 112.3 | N26 L27 R30 F36 N124 | N26-A155 HydrophobicContact CB-CB 3.81Å; L27-A155 HydrophobicContact CD2-CB 4.04Å; L27-A155 HydrophobicContact CG-CB 4.29Å; R30-A155 PolarHBondContact NE-O 3.36Å; R30-A155 PolarHBondContact NH2-O 3.12Å; F36-A155 HydrophobicContact CD2-CB 4.02Å; F36-A155 WeakPolarHBondContact CD2-O 3.25Å; F36-A155 HydrophobicContact CE2-CB 4.17Å; N124-A155 PolarHBondContact OD1-N 3.25Å |
| 156 | L | 96.7 | Very high | 97.7 | Very high | 77 Ų | 77 | 42.8 Ų | 42.8 | 40% | 0.403 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -59.2 | -179.1 | 177.9 | 68.4 | 0 | 0 | 0 | 110.5 | R30 F36 D127 S154 | R30-L156 PolarHBondContact NH2-O 3.19Å; R30-L156 VanDerWaalsContact NH2-O 3.09Å; F36-L156 HydrophobicContact CD1-CD1 3.73Å; F36-L156 HydrophobicContact CE1-CB 4.48Å; F36-L156 HydrophobicContact CE1-CD1 3.27Å; F36-L156 HydrophobicContact CE1-CG 4.47Å; F36-L156 HydrophobicContact CE2-CB 4.06Å; F36-L156 HydrophobicContact CE2-CD1 4.35Å; F36-L156 HydrophobicContact CG-CD1 4.43Å; F36-L156 HydrophobicContact CZ-CB 4.05Å; F36-L156 HydrophobicContact CZ-CD1 3.63Å; F36-L156 HydrophobicContact CZ-CG 4.44Å; D127-L156 HydrophobicContact CB-CD2 4.28Å; D127-L156 VanDerWaalsContact OD2-CD2 3.31Å; D127-L156 WeakPolarHBondContact OD2-CD2 3.15Å; S154-L156 PolarHBondContact O-N 3.21Å; S154-L156 PolarHBondContact OG-N 3.45Å |
| 157 | D | 95.7 | Very high | 97.7 | Very high | 77 Ų | 77 | 44.7 Ų | 44.7 | 41% | 0.412 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 3.1 | -176.5 | 72.3 | 20.6 | 0 | 0 | 0 | 113.9 | S154 T159 | S154-D157 WeakPolarHBondContact CB-OD1 3.41Å; S154-D157 PolarHBondContact OG-N 2.88Å; S154-D157 PolarHBondContact OG-OD1 2.9Å; D157-T159 VanDerWaalsContact C-N 3.27Å; D157-T159 VanDerWaalsContact CG-OG1 3.29Å; D157-T159 PolarHBondContact O-N 2.82Å; D157-T159 WeakPolarHBondContact OD1-CB 3.41Å; D157-T159 PolarHBondContact OD1-N 3.32Å; D157-T159 PolarHBondContact OD1-OG1 3.37Å; D157-T159 PolarHBondContact OD2-OG1 3.09Å |
| 158 | S | 97.3 | Very high | 97.8 | Very high | 61 Ų | 61 | 37.6 Ų | 37.6 | 43% | 0.427 | 20% | 0.198 | S | C | . | . | trans | 71.1 | 3.2 | -178.8 | 74.4 | 0 | 0 | 0 | 0 | 116.7 | S154 N160 V161 | S154-S158 CarbonylContact O-C 3.31Å; S154-S158 WeakPolarHBondContact O-CA 3.32Å; S154-S158 PolarHBondContact O-N 3.22Å; S158-N160 PolarHBondContact O-N 2.75Å; S158-V161 PolarHBondContact O-N 3.3Å | ||
| 159 | T | 98.4 | Very high | 97.7 | Very high | 46 Ų | 46 | 37 Ų | 37 | 28% | 0.282 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 124.7 | 179.4 | -62.9 | 0 | 0 | 0 | 0 | 111 | T153 S154 D157 V161 | T153-T159 CarbonylContact C-O 3.57Å; T153-T159 VanDerWaalsContact CA-O 3.31Å; T153-T159 WeakPolarHBondContact CA-O 2.93Å; S154-T159 PolarHBondContact N-O 3.09Å; S154-T159 PolarHBondContact O-N 3.36Å; D157-T159 VanDerWaalsContact C-N 3.27Å; D157-T159 VanDerWaalsContact CG-OG1 3.29Å; D157-T159 PolarHBondContact O-N 2.82Å; D157-T159 WeakPolarHBondContact OD1-CB 3.41Å; D157-T159 PolarHBondContact OD1-N 3.32Å; D157-T159 PolarHBondContact OD1-OG1 3.37Å; D157-T159 PolarHBondContact OD2-OG1 3.09Å; T159-V161 PolarHBondContact O-N 2.86Å |
| 160 | N | 98.2 | Very high | 97.7 | Very high | 58 Ų | 58 | 36.4 Ų | 36.4 | 31% | 0.31 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 8.1 | 175.3 | -61.5 | -9.6 | 0 | 0 | 0 | 116.3 | I151 E152 T153 S158 E163 A164 | I151-N160 HydrophobicContact CD1-CB 3.77Å; I151-N160 HydrophobicContact CG1-CB 4.01Å; E152-N160 VanDerWaalsContact O-CB 3.25Å; E152-N160 WeakPolarHBondContact O-CB 3.46Å; E152-N160 PolarHBondContact O-ND2 3.1Å; T153-N160 HydrophobicContact CG2-CB 4.05Å; S158-N160 PolarHBondContact O-N 2.75Å; N160-E163 PolarHBondContact O-N 2.89Å; N160-E163 PolarHBondContact OD1-OE2 3.33Å; N160-A164 WeakPolarHBondContact O-CB 3.44Å; N160-A164 PolarHBondContact O-N 3Å |
| 161 | V | 98.2 | Very high | 97.6 | Very high | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.6 | -50.6 | -179.1 | 179.6 | 0 | 0 | 0 | 0 | 110.8 | L27 R30 F31 S154 S158 T159 E163 A164 F165 | L27-V161 HydrophobicContact CD2-CB 4.49Å; L27-V161 HydrophobicContact CD2-CG1 4.14Å; L27-V161 HydrophobicContact CD2-CG2 3.73Å; R30-V161 HydrophobicContact CB-CG1 4.1Å; R30-V161 HydrophobicContact CG-CB 4.03Å; R30-V161 HydrophobicContact CG-CG1 3.81Å; R30-V161 HydrophobicContact CG-CG2 3.96Å; F31-V161 HydrophobicContact CB-CG1 4.08Å; S154-V161 WeakPolarHBondContact O-CG2 3.31Å; S158-V161 PolarHBondContact O-N 3.3Å; T159-V161 PolarHBondContact O-N 2.86Å; V161-E163 VanDerWaalsContact C-N 3.25Å; V161-E163 PolarHBondContact O-N 3.14Å; V161-A164 PolarHBondContact O-N 3.34Å; V161-F165 HydrophobicContact CG1-CD2 4.28Å; V161-F165 HydrophobicContact CG1-CE2 4.22Å; V161-F165 WeakPolarHBondContact O-CD2 3.41Å; V161-F165 PolarHBondContact O-N 3.12Å |
| 162 | E | 97.2 | Very high | 97.4 | Very high | 65 Ų | 65 | 36.6 Ų | 36.6 | 30% | 0.304 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -58.9 | -40.8 | 175.8 | -172.7 | 77.2 | 177.5 | 0 | 0 | 111.2 | R51 K166 | R51-E162 IonicContact CZ-OE1 3.39Å; R51-E162 IonicContact CZ-OE2 3.4Å; R51-E162 IonicContact NH1-OE1 2.67Å; R51-E162 IonicContact NH1-OE2 2.69Å; R51-E162 PolarHBondContact NH1-OE2 3.07Å; R51-E162 IonicContact NH2-OE1 3.19Å; R51-E162 PolarHBondContact NH2-OE1 2.8Å; R51-E162 IonicContact NH2-OE2 3.57Å; R51-E162 PolarHBondContact NH2-OE2 3.25Å; E162-K166 HydrophobicContact CG-CD 3.99Å; E162-K166 HydrophobicContact CG-CG 4.5Å; E162-K166 WeakPolarHBondContact O-CB 3.46Å; E162-K166 WeakPolarHBondContact O-CG 3.43Å; E162-K166 PolarHBondContact O-N 3.1Å; E162-K166 WeakPolarHBondContact OE1-CE 3.48Å; E162-K166 IonicContact OE1-NZ 3.13Å; E162-K166 PolarHBondContact OE1-NZ 3Å; E162-K166 VanDerWaalsContact OE1-NZ 3.13Å |
| 163 | E | 97.8 | Very high | 97.3 | Very high | 95 Ų | 95 | 36.5 Ų | 36.5 | 44% | 0.444 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -66.4 | -44.3 | -178.6 | -174.2 | 174.8 | 178.2 | 0 | 0 | 111.8 | I151 N160 V161 F165 K166 N167 | I151-E163 HydrophobicContact CD1-CB 4.11Å; I151-E163 HydrophobicContact CD1-CG 3.82Å; N160-E163 PolarHBondContact O-N 2.89Å; N160-E163 PolarHBondContact OD1-OE2 3.33Å; V161-E163 VanDerWaalsContact C-N 3.25Å; V161-E163 PolarHBondContact O-N 3.14Å; E163-F165 PolarHBondContact O-N 3.37Å; E163-K166 PolarHBondContact O-N 3.43Å; E163-N167 WeakPolarHBondContact CG-ND2 3.33Å; E163-N167 WeakPolarHBondContact O-CB 3.49Å; E163-N167 PolarHBondContact O-N 2.89Å; E163-N167 PolarHBondContact O-OD1 3.12Å |
| 164 | A | 98.3 | Very high | 97.1 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 2% | 0.017 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.4 | -49.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | M120 I151 T153 N160 V161 I168 | M120-A164 HydrophobicContact SD-CB 4.11Å; I151-A164 HydrophobicContact CD1-CB 4.43Å; I151-A164 HydrophobicContact CG2-CB 3.72Å; T153-A164 HydrophobicContact CG2-CB 3.97Å; N160-A164 WeakPolarHBondContact O-CB 3.44Å; N160-A164 PolarHBondContact O-N 3Å; V161-A164 PolarHBondContact O-N 3.34Å; A164-I168 PolarHBondContact O-N 3.46Å |
| 165 | F | 97.6 | Very high | 96.8 | Very high | 3 Ų | 3 | 46.3 Ų | 46.3 | 1% | 0.013 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.1 | -39.7 | 178.8 | -76.6 | -78.7 | 0 | 0 | 0 | 112.6 | L16 F31 I64 L88 V161 E163 I168 L169 | L16-F165 HydrophobicContact CD2-CE1 4.05Å; L16-F165 HydrophobicContact CD2-CZ 4.01Å; F31-F165 HydrophobicContact CB-CD2 3.54Å; F31-F165 HydrophobicContact CB-CE2 3.48Å; F31-F165 VanDerWaalsContact CB-CE2 3.48Å; F31-F165 HydrophobicContact CB-CG 4.31Å; F31-F165 HydrophobicContact CB-CZ 4.21Å; F31-F165 HydrophobicContact CD1-CB 4.23Å; F31-F165 AromaticContact CD1-CD1 3.98Å; F31-F165 HydrophobicContact CD1-CD1 3.98Å; F31-F165 AromaticContact CD1-CD2 3.89Å; F31-F165 HydrophobicContact CD1-CD2 3.89Å; F31-F165 HydrophobicContact CD1-CE1 4.3Å; F31-F165 HydrophobicContact CD1-CE2 4.21Å; F31-F165 AromaticContact CD1-CG 3.77Å; F31-F165 HydrophobicContact CD1-CG 3.77Å; F31-F165 HydrophobicContact CD1-CZ 4.41Å; F31-F165 HydrophobicContact CD2-CB 3.63Å; F31-F165 AromaticContact CD2-CD2 3.49Å; F31-F165 HydrophobicContact CD2-CD2 3.49Å; F31-F165 VanDerWaalsContact CD2-CD2 3.49Å; F31-F165 HydrophobicContact CD2-CE2 4.34Å; F31-F165 AromaticContact CD2-CG 3.7Å; F31-F165 HydrophobicContact CD2-CG 3.7Å; F31-F165 HydrophobicContact CE1-CB 3.97Å; F31-F165 HydrophobicContact CE1-CD1 4.09Å; F31-F165 HydrophobicContact CE1-CD2 4.47Å; F31-F165 AromaticContact CE1-CG 3.93Å; F31-F165 HydrophobicContact CE1-CG 3.93Å; F31-F165 HydrophobicContact CE2-CB 3.34Å; F31-F165 HydrophobicContact CE2-CD2 4.15Å; F31-F165 AromaticContact CE2-CG 3.89Å; F31-F165 HydrophobicContact CE2-CG 3.89Å; F31-F165 HydrophobicContact CG-CB 4.08Å; F31-F165 HydrophobicContact CG-CD1 4.29Å; F31-F165 AromaticContact CG-CD2 3.34Å; F31-F165 HydrophobicContact CG-CD2 3.34Å; F31-F165 AromaticContact CG-CE2 3.77Å; F31-F165 HydrophobicContact CG-CE2 3.77Å; F31-F165 AromaticContact CG-CG 3.65Å; F31-F165 HydrophobicContact CG-CG 3.65Å; F31-F165 HydrophobicContact CG-CZ 4.4Å; F31-F165 HydrophobicContact CZ-CB 3.53Å; F31-F165 HydrophobicContact CZ-CD1 4.5Å; F31-F165 AromaticContact CZ-CG 4Å; F31-F165 HydrophobicContact CZ-CG 4Å; I64-F165 HydrophobicContact CD1-CD1 3.84Å; I64-F165 HydrophobicContact CD1-CE1 3.61Å; I64-F165 HydrophobicContact CD1-CZ 4.4Å; I64-F165 HydrophobicContact CG1-CE1 4.22Å; I64-F165 HydrophobicContact CG2-CE1 4.02Å; L88-F165 HydrophobicContact CD1-CD1 4.41Å; L88-F165 HydrophobicContact CD1-CE1 4.19Å; L88-F165 HydrophobicContact CD2-CD1 4.24Å; L88-F165 HydrophobicContact CD2-CE1 3.86Å; L88-F165 HydrophobicContact CD2-CE2 4.23Å; L88-F165 HydrophobicContact CD2-CZ 3.86Å; V161-F165 HydrophobicContact CG1-CD2 4.28Å; V161-F165 HydrophobicContact CG1-CE2 4.22Å; V161-F165 WeakPolarHBondContact O-CD2 3.41Å; V161-F165 PolarHBondContact O-N 3.12Å; E163-F165 PolarHBondContact O-N 3.37Å; F165-I168 WeakPolarHBondContact O-CG2 3.34Å; F165-L169 VanDerWaalsContact O-CB 3.29Å; F165-L169 WeakPolarHBondContact O-CB 3.47Å; F165-L169 VanDerWaalsContact O-CD1 3.31Å; F165-L169 WeakPolarHBondContact O-CD1 3.37Å; F165-L169 WeakPolarHBondContact O-CG 3.34Å; F165-L169 PolarHBondContact O-N 2.77Å; F165-L169 VanDerWaalsContact O-N 3.08Å |
| 166 | K | 96.8 | Very high | 96.6 | Very high | 87 Ų | 87 | 47.9 Ų | 47.9 | 38% | 0.378 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.7 | -42.7 | 175.8 | -79.3 | -178.7 | 178.1 | 165.9 | 0 | 112.2 | I53 E162 E163 L169 T170 | I53-K166 HydrophobicContact CD1-CG 4.21Å; E162-K166 HydrophobicContact CG-CD 3.99Å; E162-K166 HydrophobicContact CG-CG 4.5Å; E162-K166 WeakPolarHBondContact O-CB 3.46Å; E162-K166 WeakPolarHBondContact O-CG 3.43Å; E162-K166 PolarHBondContact O-N 3.1Å; E162-K166 WeakPolarHBondContact OE1-CE 3.48Å; E162-K166 IonicContact OE1-NZ 3.13Å; E162-K166 PolarHBondContact OE1-NZ 3Å; E162-K166 VanDerWaalsContact OE1-NZ 3.13Å; E163-K166 PolarHBondContact O-N 3.43Å; K166-L169 PolarHBondContact O-N 3.09Å; K166-T170 VanDerWaalsContact O-CB 3.23Å; K166-T170 WeakPolarHBondContact O-CB 3.19Å; K166-T170 PolarHBondContact O-N 2.99Å; K166-T170 PolarHBondContact O-OG1 3.35Å |
| 167 | N | 97.4 | Very high | 96.3 | Very high | 70 Ų | 70 | 45.1 Ų | 45.1 | 37% | 0.374 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.5 | -49.7 | -178.4 | -73.8 | -2.4 | 0 | 0 | 0 | 110.7 | M120 E163 L169 T170 E171 | M120-N167 HydrophobicContact CE-CB 3.65Å; E163-N167 WeakPolarHBondContact CG-ND2 3.33Å; E163-N167 WeakPolarHBondContact O-CB 3.49Å; E163-N167 PolarHBondContact O-N 2.89Å; E163-N167 PolarHBondContact O-OD1 3.12Å; N167-L169 PolarHBondContact O-N 2.98Å; N167-T170 PolarHBondContact O-N 3.26Å; N167-E171 WeakPolarHBondContact O-CB 3.31Å; N167-E171 PolarHBondContact O-N 3.11Å |
| 168 | I | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.6 | -40.8 | 178.9 | -161.6 | 179.1 | 0 | 0 | 0 | 112 | A87 L88 V118 M120 A164 F165 T170 E171 I172 | A87-I168 WeakPolarHBondContact O-CD1 3.41Å; L88-I168 HydrophobicContact CD1-CD1 3.73Å; L88-I168 HydrophobicContact CD1-CG2 4.02Å; L88-I168 HydrophobicContact CG-CD1 4.45Å; V118-I168 HydrophobicContact CB-CG1 4.48Å; V118-I168 HydrophobicContact CG1-CG1 3.89Å; M120-I168 HydrophobicContact CB-CD1 4.09Å; M120-I168 HydrophobicContact CB-CG1 4.47Å; M120-I168 HydrophobicContact CE-CB 3.97Å; A164-I168 PolarHBondContact O-N 3.46Å; F165-I168 WeakPolarHBondContact O-CG2 3.34Å; I168-T170 VanDerWaalsContact C-N 3.33Å; I168-T170 PolarHBondContact O-N 3.46Å; I168-E171 PolarHBondContact O-N 2.81Å; I168-I172 HydrophobicContact CG1-CD1 4.1Å; I168-I172 WeakPolarHBondContact O-CD1 3.41Å; I168-I172 WeakPolarHBondContact O-CG1 3.14Å; I168-I172 PolarHBondContact O-N 2.86Å |
| 169 | L | 97.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67 | -35.9 | 178.6 | -69.9 | 168.5 | 0 | 0 | 0 | 111.9 | F12 V14 I53 I60 A62 F165 K166 N167 Y173 | F12-L169 HydrophobicContact CB-CD2 4.07Å; F12-L169 HydrophobicContact CD2-CD2 3.98Å; V14-L169 HydrophobicContact CG2-CD2 3.98Å; I53-L169 HydrophobicContact CD1-CB 3.74Å; I53-L169 HydrophobicContact CD1-CD1 3.42Å; I53-L169 VanDerWaalsContact CD1-CD1 3.42Å; I53-L169 HydrophobicContact CD1-CG 4.22Å; I53-L169 HydrophobicContact CG1-CD1 3.97Å; I60-L169 HydrophobicContact CG2-CD2 4.26Å; A62-L169 HydrophobicContact CB-CD1 3.74Å; A62-L169 HydrophobicContact CB-CD2 3.77Å; A62-L169 HydrophobicContact CB-CG 4.42Å; F165-L169 VanDerWaalsContact O-CB 3.29Å; F165-L169 WeakPolarHBondContact O-CB 3.47Å; F165-L169 VanDerWaalsContact O-CD1 3.31Å; F165-L169 WeakPolarHBondContact O-CD1 3.37Å; F165-L169 WeakPolarHBondContact O-CG 3.34Å; F165-L169 PolarHBondContact O-N 2.77Å; F165-L169 VanDerWaalsContact O-N 3.08Å; K166-L169 PolarHBondContact O-N 3.09Å; N167-L169 PolarHBondContact O-N 2.98Å; L169-Y173 VanDerWaalsContact O-CB 3.28Å; L169-Y173 WeakPolarHBondContact O-CB 3.24Å; L169-Y173 PolarHBondContact O-N 3.12Å |
| 170 | T | 96.6 | Very high | 94.8 | Very high | 26 Ų | 26 | 50.6 Ų | 50.6 | 16% | 0.16 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.6 | -40.6 | 174.8 | -57.8 | 0 | 0 | 0 | 0 | 111.2 | V55 K166 N167 I168 Y173 R174 | V55-T170 HydrophobicContact CG1-CG2 3.94Å; K166-T170 VanDerWaalsContact O-CB 3.23Å; K166-T170 WeakPolarHBondContact O-CB 3.19Å; K166-T170 PolarHBondContact O-N 2.99Å; K166-T170 PolarHBondContact O-OG1 3.35Å; N167-T170 PolarHBondContact O-N 3.26Å; I168-T170 VanDerWaalsContact C-N 3.33Å; I168-T170 PolarHBondContact O-N 3.46Å; T170-Y173 WeakPolarHBondContact O-CB 3.35Å; T170-Y173 PolarHBondContact O-N 3.04Å; T170-R174 WeakPolarHBondContact O-CG 3.36Å; T170-R174 PolarHBondContact O-N 3.02Å |
| 171 | E | 96 | Very high | 93.9 | Very high | 65 Ų | 65 | 53.3 Ų | 53.3 | 30% | 0.304 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.1 | -46.9 | 176.2 | -172.6 | 174.8 | 176.9 | 0 | 0 | 111.4 | V118 S149 N167 I168 Y173 R174 I175 | V118-E171 HydrophobicContact CG1-CB 4.12Å; V118-E171 HydrophobicContact CG1-CG 3.73Å; V118-E171 WeakPolarHBondContact CG1-OE2 3.44Å; V118-E171 HydrophobicContact CG2-CG 4.4Å; S149-E171 PolarHBondContact OG-OE2 2.92Å; N167-E171 WeakPolarHBondContact O-CB 3.31Å; N167-E171 PolarHBondContact O-N 3.11Å; I168-E171 PolarHBondContact O-N 2.81Å; E171-Y173 VanDerWaalsContact C-N 3.33Å; E171-Y173 PolarHBondContact O-N 2.74Å; E171-R174 PolarHBondContact O-N 3Å; E171-I175 HydrophobicContact CG-CD1 4.48Å; E171-I175 WeakPolarHBondContact O-CG1 3.25Å; E171-I175 PolarHBondContact O-N 2.94Å; E171-I175 VanDerWaalsContact O-N 3.13Å |
| 172 | I | 96.3 | Very high | 93.2 | Very high | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59 | -46.1 | 173.4 | -63.9 | 159.6 | 0 | 0 | 0 | 110.5 | F12 V14 V85 V118 I168 R174 I175 V176 | F12-I172 HydrophobicContact CD1-CG2 3.86Å; F12-I172 HydrophobicContact CD2-CB 4.13Å; F12-I172 HydrophobicContact CD2-CG2 3.67Å; F12-I172 HydrophobicContact CE1-CG2 3.87Å; F12-I172 HydrophobicContact CE2-CB 4.11Å; F12-I172 HydrophobicContact CE2-CG2 3.68Å; F12-I172 HydrophobicContact CG-CG2 3.79Å; F12-I172 HydrophobicContact CZ-CG2 3.8Å; V14-I172 HydrophobicContact CG2-CD1 4.19Å; V85-I172 HydrophobicContact CB-CG2 4.09Å; V85-I172 HydrophobicContact CG2-CD1 4.29Å; V85-I172 HydrophobicContact CG2-CG2 3.82Å; V118-I172 HydrophobicContact CB-CG1 3.75Å; V118-I172 HydrophobicContact CG1-CG1 4.34Å; V118-I172 HydrophobicContact CG2-CG1 3.66Å; I168-I172 HydrophobicContact CG1-CD1 4.1Å; I168-I172 WeakPolarHBondContact O-CD1 3.41Å; I168-I172 WeakPolarHBondContact O-CG1 3.14Å; I168-I172 PolarHBondContact O-N 2.86Å; I172-R174 VanDerWaalsContact C-N 3.33Å; I172-R174 PolarHBondContact O-N 3.36Å; I172-I175 PolarHBondContact O-N 2.78Å; I172-V176 HydrophobicContact CG2-CG2 4.08Å; I172-V176 WeakPolarHBondContact O-CB 2.92Å; I172-V176 VanDerWaalsContact O-CG2 3.32Å; I172-V176 WeakPolarHBondContact O-CG2 3.27Å; I172-V176 PolarHBondContact O-N 2.75Å |
| 173 | Y | 96 | Very high | 92.6 | Very high | 26 Ų | 26 | 57.5 Ų | 57.5 | 10% | 0.102 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.6 | -43.8 | 177.9 | 171.1 | -107.3 | 0 | 0 | 0 | 112.3 | Y10 V55 D56 K58 I60 L169 T170 E171 I175 V176 S177 | Y10-Y173 HydrophobicContact CD2-CD2 4.04Å; Y10-Y173 HydrophobicContact CD2-CE2 4.03Å; Y10-Y173 AromaticContact CE2-CD2 3.9Å; Y10-Y173 HydrophobicContact CE2-CD2 3.9Å; Y10-Y173 AromaticContact CE2-CE2 3.47Å; Y10-Y173 HydrophobicContact CE2-CE2 3.47Å; Y10-Y173 VanDerWaalsContact CE2-CE2 3.47Å; Y10-Y173 AromaticContact CZ-CE2 3.82Å; V55-Y173 HydrophobicContact CG1-CD1 3.62Å; V55-Y173 HydrophobicContact CG1-CE1 4.15Å; V55-Y173 HydrophobicContact CG1-CG 4.16Å; D56-Y173 HydrophobicContact CB-CE1 3.92Å; K58-Y173 HydrophobicContact CB-CE2 4.13Å; K58-Y173 HydrophobicContact CG-CE2 3.99Å; I60-Y173 HydrophobicContact CD1-CD2 4.2Å; I60-Y173 HydrophobicContact CD1-CG 4.07Å; L169-Y173 VanDerWaalsContact O-CB 3.28Å; L169-Y173 WeakPolarHBondContact O-CB 3.24Å; L169-Y173 PolarHBondContact O-N 3.12Å; T170-Y173 WeakPolarHBondContact O-CB 3.35Å; T170-Y173 PolarHBondContact O-N 3.04Å; E171-Y173 VanDerWaalsContact C-N 3.33Å; E171-Y173 PolarHBondContact O-N 2.74Å; Y173-I175 PolarHBondContact O-N 3.33Å; Y173-V176 PolarHBondContact O-N 3.23Å; Y173-S177 WeakPolarHBondContact O-CB 3.39Å; Y173-S177 PolarHBondContact O-N 3.19Å; Y173-S177 PolarHBondContact O-OG 2.88Å |
| 174 | R | 94.4 | Very high | 91.8 | Very high | 147 Ų | 147 | 61.2 Ų | 61.2 | 56% | 0.555 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61.3 | -44 | 177.2 | -73.6 | 172.3 | -177.8 | 173.3 | 2.7 | 111.7 | T170 E171 I172 S177 Q178 | T170-R174 WeakPolarHBondContact O-CG 3.36Å; T170-R174 PolarHBondContact O-N 3.02Å; E171-R174 PolarHBondContact O-N 3Å; I172-R174 VanDerWaalsContact C-N 3.33Å; I172-R174 PolarHBondContact O-N 3.36Å; R174-S177 PolarHBondContact O-OG 3.07Å; R174-S177 VanDerWaalsContact O-OG 3.13Å; R174-Q178 WeakPolarHBondContact O-CB 3.35Å; R174-Q178 WeakPolarHBondContact O-CG 3.24Å; R174-Q178 PolarHBondContact O-N 2.69Å; R174-Q178 VanDerWaalsContact O-N 3.11Å |
| 175 | I | 92.8 | Very high | 90.8 | Very high | 58 Ų | 58 | 63.3 Ų | 63.3 | 30% | 0.297 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.8 | -45.5 | 179.5 | -65.7 | 167.9 | 0 | 0 | 0 | 110.7 | V118 E171 I172 Y173 K179 | V118-I175 HydrophobicContact CG2-CD1 3.47Å; V118-I175 VanDerWaalsContact CG2-CD1 3.47Å; E171-I175 HydrophobicContact CG-CD1 4.48Å; E171-I175 WeakPolarHBondContact O-CG1 3.25Å; E171-I175 PolarHBondContact O-N 2.94Å; E171-I175 VanDerWaalsContact O-N 3.13Å; I172-I175 PolarHBondContact O-N 2.78Å; Y173-I175 PolarHBondContact O-N 3.33Å; I175-K179 HydrophobicContact CG2-CD 4.37Å; I175-K179 WeakPolarHBondContact O-CG 3.42Å; I175-K179 PolarHBondContact O-N 3.45Å; I175-K179 VanDerWaalsContact O-N 3.12Å |
| 176 | V | 91.4 | Very high | 89.8 | Confident | 37 Ų | 37 | 66 Ų | 66 | 22% | 0.224 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -70.3 | -41.9 | -177.9 | 174.9 | 0 | 0 | 0 | 0 | 111.6 | Y10 F12 I172 Y173 K179 Q180 | Y10-V176 HydrophobicContact CD1-CG1 4.1Å; Y10-V176 HydrophobicContact CE1-CG1 3.95Å; F12-V176 HydrophobicContact CE1-CB 4.4Å; F12-V176 HydrophobicContact CE1-CG1 4.4Å; F12-V176 HydrophobicContact CE1-CG2 4.11Å; F12-V176 HydrophobicContact CZ-CB 4.39Å; F12-V176 HydrophobicContact CZ-CG2 4.39Å; I172-V176 HydrophobicContact CG2-CG2 4.08Å; I172-V176 WeakPolarHBondContact O-CB 2.92Å; I172-V176 VanDerWaalsContact O-CG2 3.32Å; I172-V176 WeakPolarHBondContact O-CG2 3.27Å; I172-V176 PolarHBondContact O-N 2.75Å; Y173-V176 PolarHBondContact O-N 3.23Å; V176-K179 PolarHBondContact O-N 2.95Å; V176-Q180 WeakPolarHBondContact O-CG 3.06Å; V176-Q180 PolarHBondContact O-N 3.27Å |
| 177 | S | 90.3 | Very high | 88.7 | Confident | 19 Ų | 19 | 69 Ų | 69 | 13% | 0.133 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.4 | -39.9 | 178.3 | 58.1 | 0 | 0 | 0 | 0 | 112 | Y173 R174 Q180 I181 | Y173-S177 WeakPolarHBondContact O-CB 3.39Å; Y173-S177 PolarHBondContact O-N 3.19Å; Y173-S177 PolarHBondContact O-OG 2.88Å; R174-S177 PolarHBondContact O-OG 3.07Å; R174-S177 VanDerWaalsContact O-OG 3.13Å; S177-Q180 PolarHBondContact O-N 3.32Å; S177-I181 VanDerWaalsContact O-CG1 3.28Å; S177-I181 WeakPolarHBondContact O-CG1 3.33Å; S177-I181 PolarHBondContact O-N 2.95Å |
| 178 | Q | 89.3 | Confident | 87.4 | Confident | 134 Ų | 134 | 72.5 Ų | 72.5 | 63% | 0.626 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -62.9 | -43 | 173.7 | -74.7 | 176.1 | 1.5 | 0 | 0 | 112.3 | R174 I181 A182 | R174-Q178 WeakPolarHBondContact O-CB 3.35Å; R174-Q178 WeakPolarHBondContact O-CG 3.24Å; R174-Q178 PolarHBondContact O-N 2.69Å; R174-Q178 VanDerWaalsContact O-N 3.11Å; Q178-I181 PolarHBondContact O-N 2.82Å; Q178-A182 PolarHBondContact O-N 3.33Å |
| 179 | K | 87.7 | Confident | 85.6 | Confident | 93 Ų | 93 | 80.4 Ų | 80.4 | 40% | 0.404 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 174.7 | -74.3 | 179.3 | 178.3 | -176 | 0 | 111.7 | I175 V176 I181 A182 D183 | I175-K179 HydrophobicContact CG2-CD 4.37Å; I175-K179 WeakPolarHBondContact O-CG 3.42Å; I175-K179 PolarHBondContact O-N 3.45Å; I175-K179 VanDerWaalsContact O-N 3.12Å; V176-K179 PolarHBondContact O-N 2.95Å; K179-I181 VanDerWaalsContact C-N 3.3Å; K179-I181 PolarHBondContact O-N 3.04Å; K179-A182 PolarHBondContact O-N 2.88Å; K179-A182 VanDerWaalsContact O-N 3.16Å; K179-D183 WeakPolarHBondContact O-CB 3.4Å; K179-D183 VanDerWaalsContact O-CG 3.23Å; K179-D183 PolarHBondContact O-N 3.06Å |
| 180 | Q | 83.3 | Confident | 83.2 | Confident | 71 Ų | 71 | 84.2 Ų | 84.2 | 33% | 0.332 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.3 | -34.7 | 177 | -75.1 | -179.2 | -10.5 | 0 | 0 | 113.3 | Y10 V176 S177 R184 | Y10-Q180 PolarHBondContact OH-OE1 2.95Å; V176-Q180 WeakPolarHBondContact O-CG 3.06Å; V176-Q180 PolarHBondContact O-N 3.27Å; S177-Q180 PolarHBondContact O-N 3.32Å; Q180-R184 WeakPolarHBondContact O-CB 3.42Å; Q180-R184 VanDerWaalsContact O-CG 3.26Å; Q180-R184 WeakPolarHBondContact O-CG 3.44Å; Q180-R184 PolarHBondContact O-N 3.41Å; Q180-R184 VanDerWaalsContact O-N 3.09Å |
| 181 | I | 80.1 | Confident | 80.9 | Confident | 116 Ų | 116 | 88.3 Ų | 88.3 | 60% | 0.595 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -68 | -44.2 | 174.8 | -67.4 | 163.2 | 0 | 0 | 0 | 110.3 | S177 Q178 K179 R184 A185 | S177-I181 VanDerWaalsContact O-CG1 3.28Å; S177-I181 WeakPolarHBondContact O-CG1 3.33Å; S177-I181 PolarHBondContact O-N 2.95Å; Q178-I181 PolarHBondContact O-N 2.82Å; K179-I181 VanDerWaalsContact C-N 3.3Å; K179-I181 PolarHBondContact O-N 3.04Å; I181-R184 PolarHBondContact O-N 3.22Å; I181-A185 PolarHBondContact O-N 2.6Å |
| 182 | A | 84.1 | Confident | 78.4 | Confident | 57 Ų | 57 | 89 Ų | 89 | 47% | 0.471 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q178 K179 R184 A185 A186 | Q178-A182 PolarHBondContact O-N 3.33Å; K179-A182 PolarHBondContact O-N 2.88Å; K179-A182 VanDerWaalsContact O-N 3.16Å; A182-R184 PolarHBondContact O-N 3.28Å; A182-A185 PolarHBondContact O-N 3.29Å; A182-A186 PolarHBondContact O-N 2.9Å |
| 183 | D | 84.5 | Confident | 76.1 | Confident | 99 Ų | 99 | 95.9 Ų | 95.9 | 53% | 0.529 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65 | -39.1 | 178.2 | -67.6 | -22.5 | 0 | 0 | 0 | 111.6 | K179 A186 H187 | K179-D183 WeakPolarHBondContact O-CB 3.4Å; K179-D183 VanDerWaalsContact O-CG 3.23Å; K179-D183 PolarHBondContact O-N 3.06Å; D183-A186 PolarHBondContact O-N 3.15Å; D183-H187 PolarHBondContact O-CD2 2.92Å; D183-H187 VanDerWaalsContact O-CD2 3.25Å; D183-H187 PolarHBondContact O-N 2.77Å |
| 184 | R | 80.5 | Confident | 74 | Confident | 172 Ų | 172 | 101.6 Ų | 101.6 | 65% | 0.649 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.1 | -43.2 | 174.3 | -76.3 | 176.1 | -177.5 | -177 | 2 | 112 | Q180 I181 A182 A186 H187 D188 | Q180-R184 WeakPolarHBondContact O-CB 3.42Å; Q180-R184 VanDerWaalsContact O-CG 3.26Å; Q180-R184 WeakPolarHBondContact O-CG 3.44Å; Q180-R184 PolarHBondContact O-N 3.41Å; Q180-R184 VanDerWaalsContact O-N 3.09Å; I181-R184 PolarHBondContact O-N 3.22Å; A182-R184 PolarHBondContact O-N 3.28Å; R184-A186 VanDerWaalsContact C-N 3.32Å; R184-A186 PolarHBondContact O-N 3.25Å; R184-H187 PolarHBondContact O-N 2.96Å; R184-D188 PolarHBondContact O-N 2.92Å |
| 185 | A | 77.1 | Confident | 71.9 | Confident | 47 Ų | 47 | 100.7 Ų | 100.7 | 39% | 0.388 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.6 | -40.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I181 A182 H187 D188 E189 | I181-A185 PolarHBondContact O-N 2.6Å; A182-A185 PolarHBondContact O-N 3.29Å; A185-H187 VanDerWaalsContact C-N 3.33Å; A185-H187 PolarHBondContact O-N 3.08Å; A185-D188 PolarHBondContact O-N 3.41Å; A185-E189 WeakPolarHBondContact O-CB 3.39Å; A185-E189 WeakPolarHBondContact O-CG 3.28Å; A185-E189 PolarHBondContact O-N 2.84Å |
| 186 | A | 77.2 | Confident | 70.2 | Confident | 60 Ų | 60 | 103.6 Ų | 103.6 | 50% | 0.496 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66.7 | -32.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A182 D183 R184 S190 | A182-A186 PolarHBondContact O-N 2.9Å; D183-A186 PolarHBondContact O-N 3.15Å; R184-A186 VanDerWaalsContact C-N 3.32Å; R184-A186 PolarHBondContact O-N 3.25Å; A186-S190 PolarHBondContact O-N 3.21Å; A186-S190 PolarHBondContact O-OG 3.04Å |
| 187 | H | 73.2 | Confident | 68.4 | Low | 149 Ų | 149 | 108.6 Ų | 108.6 | 69% | 0.69 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -71.5 | -38.5 | 173.1 | -87.3 | -67.2 | 0 | 0 | 0 | 112.7 | D183 R184 A185 | D183-H187 PolarHBondContact O-CD2 2.92Å; D183-H187 VanDerWaalsContact O-CD2 3.25Å; D183-H187 PolarHBondContact O-N 2.77Å; R184-H187 PolarHBondContact O-N 2.96Å; A185-H187 VanDerWaalsContact C-N 3.33Å; A185-H187 PolarHBondContact O-N 3.08Å |
| 188 | D | 69.9 | Low | 66.9 | Low | 144 Ų | 144 | 114.9 Ų | 114.9 | 77% | 0.77 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -75.7 | -27.9 | 178.2 | -74 | -24.4 | 0 | 0 | 0 | 112.8 | R184 A185 S190 | R184-D188 PolarHBondContact O-N 2.92Å; A185-D188 PolarHBondContact O-N 3.41Å; D188-S190 VanDerWaalsContact C-N 3.35Å |
| 189 | E | 59.9 | Low | 65.2 | Low | 166 Ų | 166 | 113.5 Ų | 113.5 | 78% | 0.776 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | 1.9 | 176.3 | -72.6 | -161.8 | 133.2 | 0 | 0 | 114.4 | A185 P191 | A185-E189 WeakPolarHBondContact O-CB 3.39Å; A185-E189 WeakPolarHBondContact O-CG 3.28Å; A185-E189 PolarHBondContact O-N 2.84Å; E189-P191 WeakPolarHBondContact O-CD 3.47Å |
| 190 | S | 47.8 | Very low | 63.8 | Low | 81 Ų | 81 | 114.9 Ų | 114.9 | 57% | 0.566 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -68.8 | 110.6 | 169.4 | -74.2 | 0 | 0 | 0 | 0 | 109.4 | A186 D188 G192 | A186-S190 PolarHBondContact O-N 3.21Å; A186-S190 PolarHBondContact O-OG 3.04Å; D188-S190 VanDerWaalsContact C-N 3.35Å; S190-G192 PolarHBondContact O-N 3.24Å |
| 191 | P | 47.3 | Very low | 62.8 | Low | 112 Ų | 112 | 116.4 Ų | 116.4 | 73% | 0.727 | 68% | 0.677 | S | S | * | * | trans | -63.5 | 134.5 | 177.6 | -7.2 | 22.3 | 0 | 0 | 0 | 107.5 | E189 N193 | E189-P191 WeakPolarHBondContact O-CD 3.47Å; P191-N193 VanDerWaalsContact C-N 3.33Å; P191-N193 PolarHBondContact O-N 3.23Å | ||
| 192 | G | 44.3 | Very low | 61.4 | Low | 79 Ų | 79 | 116.4 Ų | 116.4 | 81% | 0.814 | 68% | 0.684 | S | S | * | * | trans | -44.2 | 99.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | S190 N194 | S190-G192 PolarHBondContact O-N 3.24Å; G192-N194 PolarHBondContact O-N 2.92Å | ||
| 193 | N | 47.6 | Very low | 59.9 | Low | 147 Ų | 147 | 120.4 Ų | 120.4 | 79% | 0.786 | 70% | 0.703 | S | S | * | * | trans | -76.1 | 101.4 | -173.5 | -148.1 | 12.5 | 0 | 0 | 0 | 105.4 | P191 V195 | P191-N193 VanDerWaalsContact C-N 3.33Å; P191-N193 PolarHBondContact O-N 3.23Å; N193-V195 PolarHBondContact O-N 3.19Å | ||
| 194 | N | 50.9 | Low | 58.4 | Low | 145 Ų | 145 | 122 Ų | 122 | 78% | 0.775 | 72% | 0.717 | S | S | * | * | trans | -7.1 | 84 | 170 | -65 | -42.7 | 0 | 0 | 0 | 114.2 | G192 V196 | G192-N194 PolarHBondContact O-N 2.92Å; N194-V196 VanDerWaalsContact C-N 3.31Å; N194-V196 PolarHBondContact O-N 3.35Å; N194-V196 VanDerWaalsContact O-N 3.13Å | ||
| 195 | V | 51.6 | Low | 56.6 | Low | 129 Ų | 129 | 122.2 Ų | 122.2 | 78% | 0.782 | 73% | 0.731 | S | S | * | * | trans | -78.4 | 95.1 | 160.6 | -178.6 | 0 | 0 | 0 | 0 | 104.7 | N193 D197 | N193-V195 PolarHBondContact O-N 3.19Å; V195-D197 PolarHBondContact O-N 3.16Å | ||
| 196 | V | 56.9 | Low | 55.1 | Low | 119 Ų | 119 | 123 Ų | 123 | 72% | 0.721 | 74% | 0.744 | S | S | * | * | trans | -65.9 | 112.6 | 163.2 | -178 | 0 | 0 | 0 | 0 | 105.7 | N194 I198 | N194-V196 VanDerWaalsContact C-N 3.31Å; N194-V196 PolarHBondContact O-N 3.35Å; N194-V196 VanDerWaalsContact O-N 3.13Å; V196-I198 PolarHBondContact O-N 3.31Å | ||
| 197 | D | 53.9 | Low | 53.7 | Low | 142 Ų | 142 | 129.2 Ų | 129.2 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | trans | -55.3 | 110.5 | 170.6 | -88.7 | -37.9 | 0 | 0 | 0 | 108.7 | V195 S199 | V195-D197 PolarHBondContact O-N 3.16Å; D197-S199 VanDerWaalsContact C-N 3.26Å; D197-S199 PolarHBondContact O-N 3.09Å | ||
| 198 | I | 57.7 | Low | 52.5 | Low | 150 Ų | 150 | 132 Ų | 132 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | -73.3 | 89.8 | 167.6 | -59.1 | 174.4 | 0 | 0 | 0 | 106.2 | V196 V200 | V196-I198 PolarHBondContact O-N 3.31Å; I198-V200 HydrophobicContact CG2-CG2 4.04Å; I198-V200 PolarHBondContact O-N 3.32Å; I198-V200 VanDerWaalsContact O-N 3.1Å | ||
| 199 | S | 53 | Low | 51.1 | Low | 106 Ų | 106 | 130.2 Ų | 130.2 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | trans | -73.1 | 97.5 | 167.9 | 65.2 | 0 | 0 | 0 | 0 | 108.6 | D197 P201 | D197-S199 VanDerWaalsContact C-N 3.26Å; D197-S199 PolarHBondContact O-N 3.09Å; S199-P201 VanDerWaalsContact O-CD 3.27Å; S199-P201 WeakPolarHBondContact O-CD 3.34Å | ||
| 200 | V | 58.4 | Low | 50.6 | Low | 121 Ų | 121 | 130.2 Ų | 130.2 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | trans | -73.1 | 114.8 | 168.4 | -173.4 | 0 | 0 | 0 | 0 | 107.2 | I198 | I198-V200 HydrophobicContact CG2-CG2 4.04Å; I198-V200 PolarHBondContact O-N 3.32Å; I198-V200 VanDerWaalsContact O-N 3.1Å | ||
| 201 | P | 62.3 | Low | 50.6 | Low | 103 Ų | 103 | 135.3 Ų | 135.3 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | trans | -64.6 | 142.6 | 174.3 | 26.7 | -31.9 | 0 | 0 | 0 | 109.3 | S199 T203 | S199-P201 VanDerWaalsContact O-CD 3.27Å; S199-P201 WeakPolarHBondContact O-CD 3.34Å; P201-T203 PolarHBondContact O-N 3.45Å | ||
| 202 | P | 50.6 | Low | 50.9 | Low | 117 Ų | 117 | 138.5 Ų | 138.5 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | trans | -61.2 | 129 | -179.1 | 25.5 | -32.3 | 0 | 0 | 0 | 109.3 | T204 | P202-T204 PolarHBondContact O-N 3.08Š| ||
| 203 | T | 53.8 | Low | 51.2 | Low | 140 Ų | 140 | 143.3 Ų | 143.3 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | trans | -54.7 | 109.4 | 168.9 | 32.3 | 0 | 0 | 0 | 0 | 108.6 | P201 D205 | P201-T203 PolarHBondContact O-N 3.45Å; T203-D205 PolarHBondContact O-N 2.93Å | ||
| 204 | T | 53.5 | Low | 51.1 | Low | 133 Ų | 133 | 141.7 Ų | 141.7 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | trans | -62.5 | 114 | 172.3 | 38.2 | 0 | 0 | 0 | 0 | 109.4 | P202 G206 | P202-T204 PolarHBondContact O-N 3.08Å; T204-G206 PolarHBondContact O-N 3.14Å | ||
| 205 | D | 41.9 | Very low | 51.1 | Low | 177 Ų | 177 | 140.2 Ų | 140.2 | 95% | 0.947 | 80% | 0.796 | S | S | * | * | trans | -53.4 | 104 | 163 | -91.1 | -43.5 | 0 | 0 | 0 | 109.5 | T203 | T203-D205 PolarHBondContact O-N 2.93Š| ||
| 206 | G | 46.2 | Very low | 50.9 | Low | 64 Ų | 64 | 142.3 Ų | 142.3 | 66% | 0.66 | 80% | 0.797 | S | S | * | * | trans | -132.3 | 86.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | T204 | T204-G206 PolarHBondContact O-N 3.14Š| ||
| 207 | Q | 46.2 | Very low | 50.5 | Low | 189 Ų | 189 | 143.6 Ų | 143.6 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | trans | 73.3 | 94.9 | 149.6 | -59 | 179.3 | -2 | 0 | 0 | 119.3 | ||||
| 208 | K | 48.2 | Very low | 50.4 | Low | 207 Ų | 207 | 148.8 Ų | 148.8 | 90% | 0.9 | 83% | 0.827 | S | S | * | * | 58.8 | 147.8 | 126 | -81.5 | -173.7 | 177.8 | 177.2 | 0 | 121.4 | |||||
| 209 | P | 41.6 | Very low | 50 | Low | 108 Ų | 108 | 148.8 Ų | 148.8 | 70% | 0.701 | 83% | 0.829 | S | S | * | * | trans | -102.7 | 153.5 | -144.5 | 38.2 | -30.1 | 0 | 0 | 0 | 112.4 | ||||
| 210 | N | 49 | Very low | 49.8 | Very low | 165 Ų | 165 | 151 Ų | 151 | 88% | 0.882 | 83% | 0.834 | S | S | * | * | trans | -139.8 | 116.7 | 150.6 | -105.5 | -19.9 | 0 | 0 | 0 | 111.8 | ||||
| 211 | K | 47.1 | Very low | 49.4 | Very low | 188 Ų | 188 | 152.7 Ų | 152.7 | 82% | 0.817 | 84% | 0.84 | S | S | * | * | trans | -24.1 | 136 | 163.9 | -68.8 | 167.7 | 170.8 | 177.1 | 0 | 114.1 | ||||
| 212 | L | 53.6 | Low | 48.6 | Very low | 180 Ų | 180 | 155.6 Ų | 155.6 | 94% | 0.942 | 85% | 0.85 | S | S | * | * | -164.5 | 103.5 | 127.1 | -93.7 | 138.1 | 0 | 0 | 0 | 111 | |||||
| 213 | Q | 50.4 | Low | 48.5 | Very low | 180 Ų | 180 | 158 Ų | 158 | 84% | 0.841 | 86% | 0.855 | S | S | * | * | trans | -30.9 | 152.3 | 151.4 | -159.1 | 171.2 | 19.1 | 0 | 0 | 113.2 | ||||
| 214 | C | 47 | Very low | 48.1 | Very low | 112 Ų | 112 | 159.2 Ų | 159.2 | 76% | 0.757 | 86% | 0.855 | S | S | * | * | cis | -167.1 | 172.5 | 14.2 | -130.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 215 | C | 50 | Low | 47.7 | Very low | 115 Ų | 115 | 161.1 Ų | 161.1 | 78% | 0.777 | 86% | 0.858 | S | S | * | * | trans | -74.6 | 171.1 | 173.7 | -57 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 216 | Q | 48.5 | Very low | 48.2 | Very low | 173 Ų | 173 | 159.8 Ų | 159.8 | 81% | 0.808 | 85% | 0.851 | S | S | * | * | trans | 108.5 | 109.1 | 145.1 | -74.5 | 177.6 | -14 | 0 | 0 | 120.4 | ||||
| 217 | N | 47.4 | Very low | 48.3 | Very low | 145 Ų | 145 | 167.8 Ų | 167.8 | 78% | 0.775 | 87% | 0.867 | S | S | * | * | trans | 59.9 | 115.6 | 130.5 | -63.4 | 0.3 | 0 | 0 | 0 | 121.2 | ||||
| 218 | L | 51.2 | Low | 48.5 | Very low | 252 Ų | 252 | 165.9 Ų | 165.9 | 100% | 1.319 | 87% | 0.866 | S | S | * | * | -128.2 | 0 | 111.7 | -117.4 | 99.4 | 0 | 0 | 0 | 108.9 |
Retrieved 218 of 218 residues in 269 ms
(Link to these results)