| 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 | 37 | Very low | 63.1 | Low | 242 Ų | 242 | 115.9 Ų | 115.9 | 100% | 1.192 | 65% | 0.647 | S | S | * | * | 0 | 107.5 | 0 | -81.7 | 172.5 | 173.7 | 0 | 0 | 107.7 | T3 | M1-T3 PolarHBondContact O-N 3.33Š| |||
| 2 | A | 36.2 | Very low | 65.8 | Low | 106 Ų | 106 | 107 Ų | 107 | 88% | 0.876 | 60% | 0.596 | S | S | * | * | trans | -73 | 114.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | A4 | A2-A4 PolarHBondContact O-N 2.93Š| ||
| 3 | T | 40.4 | Very low | 68.1 | Low | 132 Ų | 132 | 102 Ų | 102 | 81% | 0.81 | 57% | 0.565 | S | S | * | * | trans | -62.9 | 114 | 170.3 | 44.5 | 0 | 0 | 0 | 0 | 108.3 | M1 | M1-T3 PolarHBondContact O-N 3.33Š| ||
| 4 | A | 46.1 | Very low | 70 | Confident | 70 Ų | 70 | 94.7 Ų | 94.7 | 58% | 0.579 | 52% | 0.524 | S | S | * | . | trans | -56.9 | 126.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | A2 Y6 | A2-A4 PolarHBondContact O-N 2.93Å; A4-Y6 PolarHBondContact O-N 3.2Å | ||
| 5 | P | 53.1 | Low | 71.6 | Confident | 116 Ų | 116 | 88.5 Ų | 88.5 | 75% | 0.753 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -70.3 | 5.5 | -173 | 25 | -32.2 | 0 | 0 | 0 | 114.6 | ||
| 6 | Y | 55 | Low | 73.1 | Confident | 162 Ų | 162 | 82.9 Ų | 82.9 | 64% | 0.635 | 46% | 0.459 | S | S | * | . | trans | -129.2 | 49.2 | -173.9 | -61.6 | -76.6 | 0 | 0 | 0 | 112 | A4 Y8 I52 | A4-Y6 PolarHBondContact O-N 3.2Å; Y6-Y8 WeakPolarHBondContact O-CD1 3.45Å; Y6-Y8 WeakPolarHBondContact O-CE1 3.43Å; Y6-Y8 PolarHBondContact O-N 3.2Å; Y6-Y8 VanDerWaalsContact O-N 3.13Å; Y6-I52 HydrophobicContact CD1-CD1 3.85Å | ||
| 7 | N | 73 | Confident | 74.2 | Confident | 140 Ų | 140 | 78.1 Ų | 78.1 | 75% | 0.749 | 43% | 0.432 | S | S | * | . | trans | -73.6 | 104.3 | 171.5 | -125.8 | 19 | 0 | 0 | 0 | 108.7 | K59 | N7-K59 WeakPolarHBondContact O-CD 3.26Š| ||
| 8 | Y | 81.7 | Confident | 75.3 | Confident | 82 Ų | 82 | 73.7 Ų | 73.7 | 32% | 0.322 | 41% | 0.408 | S | S | . | . | trans | -121.5 | 143.3 | 169.6 | 53.4 | -95.1 | 0 | 0 | 0 | 109.1 | Y6 I11 I52 K59 K61 | Y6-Y8 WeakPolarHBondContact O-CD1 3.45Å; Y6-Y8 WeakPolarHBondContact O-CE1 3.43Å; Y6-Y8 PolarHBondContact O-N 3.2Å; Y6-Y8 VanDerWaalsContact O-N 3.13Å; Y8-I11 HydrophobicContact CD2-CG1 3.87Å; Y8-I11 HydrophobicContact CE2-CD1 3.64Å; Y8-I11 HydrophobicContact CE2-CG1 3.37Å; Y8-I52 HydrophobicContact CD1-CD1 4.23Å; Y8-K59 CarbonylContact C-O 3.56Å; Y8-K59 WeakPolarHBondContact CA-O 3.36Å; Y8-K59 WeakPolarHBondContact CB-O 3.27Å; Y8-K61 HydrophobicContact CD1-CB 4.26Å; Y8-K61 HydrophobicContact CD1-CD 4.27Å; Y8-K61 HydrophobicContact CD2-CB 3.98Å; Y8-K61 HydrophobicContact CE1-CD 3.85Å; Y8-K61 HydrophobicContact CE2-CB 4.32Å; Y8-K61 HydrophobicContact CE2-CD 4.3Å; Y8-K61 HydrophobicContact CG-CB 3.96Å | ||
| 9 | S | 86.5 | Confident | 76.1 | Confident | 71 Ų | 71 | 71.1 Ų | 71.1 | 50% | 0.497 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -88.7 | -26.5 | -175.1 | -53.3 | 0 | 0 | 0 | 0 | 112.1 | Q58 K59 | S9-Q58 PolarHBondContact OG-OE1 2.81Å; S9-K59 PolarHBondContact N-O 3.31Å |
| 10 | Y | 91.5 | Very high | 76.8 | Confident | 69 Ų | 69 | 70.8 Ų | 70.8 | 27% | 0.271 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 151.6 | -175.8 | -59.8 | -86 | 0 | 0 | 0 | 111.8 | F12 Q58 I60 K61 Y173 I176 | Y10-F12 HydrophobicContact CD1-CE1 4.42Å; Y10-F12 HydrophobicContact CG-CE1 4.39Å; Y10-Q58 HydrophobicContact CD2-CB 4.46Å; Y10-Q58 HydrophobicContact CE2-CB 4.45Å; Y10-Q58 HydrophobicContact CE2-CG 4.3Å; Y10-I60 HydrophobicContact CD2-CG1 4.39Å; Y10-I60 WeakPolarHBondContact O-CA 3.3Å; Y10-K61 PolarHBondContact O-N 3.44Å; Y10-Y173 HydrophobicContact CD2-CD2 4.39Å; Y10-Y173 HydrophobicContact CD2-CE2 4.2Å; Y10-Y173 HydrophobicContact CE2-CD2 4.16Å; Y10-Y173 AromaticContact CE2-CE2 3.57Å; Y10-Y173 HydrophobicContact CE2-CE2 3.57Å; Y10-Y173 AromaticContact CZ-CE2 3.86Å; Y10-I176 HydrophobicContact CE1-CG2 4.39Å |
| 11 | I | 94.1 | Very high | 77.4 | Confident | 85 Ų | 85 | 69.2 Ų | 69.2 | 44% | 0.436 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 122.6 | 168 | -60.2 | 164.6 | 0 | 0 | 0 | 107.6 | Y8 K61 Q63 | Y8-I11 HydrophobicContact CD2-CG1 3.87Å; Y8-I11 HydrophobicContact CE2-CD1 3.64Å; Y8-I11 HydrophobicContact CE2-CG1 3.37Å; I11-K61 WeakPolarHBondContact CA-O 3.48Å; I11-K61 HydrophobicContact CG1-CB 4.28Å; I11-Q63 HydrophobicContact CG2-CG 3.98Å |
| 12 | F | 95.4 | Very high | 80.1 | Confident | 9 Ų | 9 | 57.7 Ų | 57.7 | 4% | 0.039 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 128.5 | 172 | -61.1 | -21.7 | 0 | 0 | 0 | 110.4 | Y10 Y14 I60 K61 L62 Q63 A85 A169 I172 I176 | Y10-F12 HydrophobicContact CD1-CE1 4.42Å; Y10-F12 HydrophobicContact CG-CE1 4.39Å; F12-Y14 HydrophobicContact CB-CD1 4.35Å; F12-Y14 HydrophobicContact CB-CE1 3.88Å; F12-I60 HydrophobicContact CB-CG2 4.43Å; F12-I60 HydrophobicContact CD1-CG2 4.39Å; F12-I60 HydrophobicContact CD2-CD1 4.37Å; F12-I60 HydrophobicContact CD2-CG2 3.52Å; F12-I60 HydrophobicContact CE2-CD1 3.59Å; F12-I60 HydrophobicContact CE2-CG2 3.74Å; F12-I60 HydrophobicContact CG-CG2 3.85Å; F12-I60 HydrophobicContact CZ-CD1 3.95Å; F12-I60 HydrophobicContact CZ-CG2 4.24Å; F12-K61 PolarHBondContact N-O 3Å; F12-L62 HydrophobicContact CB-CD2 3.83Å; F12-L62 HydrophobicContact CD2-CD2 4.16Å; F12-L62 HydrophobicContact CG-CD2 4.46Å; F12-L62 WeakPolarHBondContact O-CA 3.38Å; F12-Q63 PolarHBondContact O-N 3.29Å; F12-A85 HydrophobicContact CB-CB 4.47Å; F12-A169 HydrophobicContact CD2-CB 4.42Å; F12-I172 HydrophobicContact CD1-CG2 4.02Å; F12-I172 HydrophobicContact CD2-CB 4.23Å; F12-I172 HydrophobicContact CD2-CD1 4.41Å; F12-I172 HydrophobicContact CD2-CG2 3.94Å; F12-I172 HydrophobicContact CE1-CG2 3.78Å; F12-I172 HydrophobicContact CE2-CB 3.94Å; F12-I172 HydrophobicContact CE2-CG2 3.66Å; F12-I172 HydrophobicContact CG-CG2 4.13Å; F12-I172 HydrophobicContact CZ-CB 4.3Å; F12-I172 HydrophobicContact CZ-CG2 3.61Å; F12-I176 HydrophobicContact CE1-CD1 3.52Å; F12-I176 HydrophobicContact CZ-CD1 3.73Å |
| 13 | K | 94.8 | Very high | 82.8 | Confident | 42 Ų | 42 | 53.3 Ų | 53.3 | 18% | 0.183 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 120.5 | 174.3 | 179.3 | -179.6 | 169.8 | -173.8 | 0 | 109.8 | Q63 Y80 R82 A84 A85 G86 | K13-Q63 CarbonylContact C-O 3.6Å; K13-Q63 WeakPolarHBondContact CA-O 3.44Å; K13-Y80 WeakPolarHBondContact CE-O 3.49Å; K13-Y80 PolarHBondContact NZ-O 3.48Å; K13-R82 PolarHBondContact NZ-O 3.42Å; K13-A84 CarbonylContact O-C 3.59Å; K13-A84 WeakPolarHBondContact O-CA 3.43Å; K13-A85 PolarHBondContact O-N 2.89Å; K13-G86 PolarHBondContact O-N 2.86Å |
| 14 | Y | 95.6 | Very high | 85.3 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 148.4 | 175.9 | -74.9 | 8.9 | 0 | 0 | 0 | 111.2 | F12 L62 Q63 I64 W65 G86 L88 F165 A168 A169 I172 | F12-Y14 HydrophobicContact CB-CD1 4.35Å; F12-Y14 HydrophobicContact CB-CE1 3.88Å; Y14-L62 HydrophobicContact CD2-CD1 4.32Å; Y14-L62 HydrophobicContact CE1-CD2 4.19Å; Y14-L62 HydrophobicContact CE2-CD1 3.9Å; Y14-L62 HydrophobicContact CE2-CD2 4.1Å; Y14-Q63 PolarHBondContact N-O 3.17Å; Y14-I64 HydrophobicContact CD2-CG1 4.46Å; Y14-W65 PolarHBondContact O-N 3.15Å; Y14-G86 VanDerWaalsContact CA-O 3.3Å; Y14-G86 WeakPolarHBondContact CA-O 3.37Å; Y14-L88 HydrophobicContact CD2-CD1 3.48Å; Y14-L88 VanDerWaalsContact CD2-CD1 3.48Å; Y14-L88 HydrophobicContact CE2-CD1 4.15Å; Y14-L88 HydrophobicContact CG-CD1 3.98Å; Y14-F165 AromaticContact CD2-CD1 3.9Å; Y14-F165 HydrophobicContact CD2-CD1 3.9Å; Y14-F165 HydrophobicContact CD2-CE1 4.42Å; Y14-F165 HydrophobicContact CE2-CD1 4.17Å; Y14-A168 HydrophobicContact CE2-CB 4.09Å; Y14-A168 WeakPolarHBondContact OH-CB 3.45Å; Y14-A169 WeakPolarHBondContact OH-CA 3.48Å; Y14-A169 WeakPolarHBondContact OH-CB 3.46Å; Y14-A169 PolarHBondContact OH-N 2.79Å; Y14-I172 HydrophobicContact CD1-CD1 4.45Å; Y14-I172 HydrophobicContact CE1-CD1 3.4Å; Y14-I172 VanDerWaalsContact CE1-CD1 3.4Å |
| 15 | I | 94.3 | Very high | 87.5 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 141.7 | 168.1 | 57.1 | 168.9 | 0 | 0 | 0 | 108.9 | I17 W65 Y80 Y81 A84 G86 A87 L88 T113 | I15-I17 HydrophobicContact CD1-CG2 3.97Å; I15-I17 HydrophobicContact CG1-CG2 4.31Å; I15-W65 WeakPolarHBondContact CA-O 3.46Å; I15-W65 HydrophobicContact CG2-CB 4.27Å; I15-Y80 WeakPolarHBondContact CG2-O 3.15Å; I15-Y81 HydrophobicContact CD1-CD1 3.19Å; I15-Y81 HydrophobicContact CD1-CE1 3.48Å; I15-Y81 VanDerWaalsContact CD1-CE1 3.48Å; I15-Y81 HydrophobicContact CD1-CG 3.82Å; I15-A84 HydrophobicContact CD1-CB 4.34Å; I15-A84 HydrophobicContact CG1-CB 4.14Å; I15-A84 HydrophobicContact CG2-CB 4.07Å; I15-G86 PolarHBondContact N-O 2.97Å; I15-G86 VanDerWaalsContact N-O 3.14Å; I15-A87 HydrophobicContact CD1-CB 4.02Å; I15-A87 HydrophobicContact CG1-CB 3.72Å; I15-A87 WeakPolarHBondContact O-CA 3.46Å; I15-L88 PolarHBondContact O-N 2.92Å; I15-T113 HydrophobicContact CD1-CG2 4.2Å |
| 16 | I | 94.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 123.3 | 170.3 | -44.6 | 179.4 | 0 | 0 | 0 | 108.1 | K24 L28 I64 W65 D66 T67 L88 V90 F165 | I16-K24 HydrophobicContact CB-CB 4.38Å; I16-K24 HydrophobicContact CG2-CB 3.64Å; I16-K24 HydrophobicContact CG2-CD 3.87Å; I16-K24 HydrophobicContact CG2-CG 3.67Å; I16-L28 HydrophobicContact CD1-CB 4Å; I16-I64 HydrophobicContact CD1-CG2 3.69Å; I16-I64 HydrophobicContact CG1-CG2 3.71Å; I16-W65 PolarHBondContact N-O 3.37Å; I16-D66 HydrophobicContact CD1-CB 4.45Å; I16-T67 PolarHBondContact O-N 2.78Å; I16-T67 PolarHBondContact O-OG1 2.88Å; I16-L88 WeakPolarHBondContact CA-O 3.44Å; I16-L88 HydrophobicContact CB-CB 4.5Å; I16-L88 HydrophobicContact CG1-CB 4.32Å; I16-L88 HydrophobicContact CG2-CB 4.15Å; I16-V90 HydrophobicContact CG2-CG2 3.64Å; I16-F165 HydrophobicContact CD1-CZ 4.26Å |
| 17 | I | 93.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 158.2 | -175.7 | 66.8 | 174.7 | 0 | 0 | 0 | 110.5 | I15 Y81 L88 M89 V90 W105 A109 | I15-I17 HydrophobicContact CD1-CG2 3.97Å; I15-I17 HydrophobicContact CG1-CG2 4.31Å; I17-Y81 HydrophobicContact CD1-CE1 4.36Å; I17-Y81 HydrophobicContact CG2-CE1 3.99Å; I17-Y81 WeakPolarHBondContact CG2-OH 3.26Å; I17-L88 PolarHBondContact N-O 2.82Å; I17-M89 HydrophobicContact CD1-CB 4.24Å; I17-M89 HydrophobicContact CD1-CG 4.26Å; I17-M89 HydrophobicContact CG1-CB 3.97Å; I17-M89 HydrophobicContact CG1-CG 4.09Å; I17-V90 PolarHBondContact O-N 2.74Å; I17-W105 HydrophobicContact CB-CE3 4.08Å; I17-W105 HydrophobicContact CB-CZ3 4.44Å; I17-W105 HydrophobicContact CD1-CB 4.33Å; I17-A109 HydrophobicContact CD1-CB 3.83Å |
| 18 | G | 92.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | 135.3 | 172 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K24 G69 W105 | G18-K24 WeakPolarHBondContact O-CE 3.29Å; G18-K24 PolarHBondContact O-NZ 3.19Å; G18-G69 VanDerWaalsContact O-CA 3.25Å; G18-G69 WeakPolarHBondContact O-CA 3.45Å; G18-W105 WeakPolarHBondContact O-CZ2 3.44Å | ||
| 19 | D | 91.4 | Very high | 92.6 | Very high | 24 Ų | 24 | 22.5 Ų | 22.5 | 13% | 0.128 | 13% | 0.13 | C | C | . | . | trans | -62.4 | 161.6 | -173.4 | -83.3 | 19.3 | 0 | 0 | 0 | 113.6 | V22 K24 T98 H101 W105 | D19-V22 HydrophobicContact CB-CG1 3.77Å; D19-V22 WeakPolarHBondContact O-CG2 3.47Å; D19-K24 PolarHBondContact O-NZ 2.91Å; D19-T98 HydrophobicContact CB-CG2 3.81Å; D19-H101 IonicContact OD1-ND1 2.68Å; D19-H101 IonicContact OD2-CE1 3.72Å; D19-H101 IonicContact OD2-CG 3.74Å; D19-H101 IonicContact OD2-ND1 3.57Å; D19-H101 PolarHBondContact OD2-ND1 3.3Å; D19-W105 PolarHBondContact OD1-NE1 3.23Å | ||
| 20 | M | 89.6 | Confident | 93 | Very high | 65 Ų | 65 | 20.4 Ų | 20.4 | 32% | 0.32 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 135.7 | 172.3 | -177.5 | -178.7 | 174.3 | 0 | 0 | 111.3 | V22 H42 G69 Q70 | M20-V22 VanDerWaalsContact C-N 3.31Å; M20-V22 PolarHBondContact O-N 2.97Å; M20-H42 HydrophobicContact CE-CB 4.04Å; M20-H42 WeakPolarHBondContact CE-CD2 3.48Å; M20-H42 WeakPolarHBondContact CE-CE1 3.17Å; M20-H42 WeakPolarHBondContact CE-ND1 3.24Å; M20-H42 WeakPolarHBondContact CE-NE2 3.29Å; M20-G69 PolarHBondContact N-O 3.13Å; M20-Q70 HydrophobicContact CB-CG 4.38Å; M20-Q70 HydrophobicContact CE-CG 4.49Å; M20-Q70 VanDerWaalsContact CE-NE2 3.35Å; M20-Q70 HydrophobicContact CG-CG 4.28Å; M20-Q70 HydrophobicContact SD-CG 3.38Å; M20-Q70 WeakPolarHBondContact SD-CG 3.13Å; M20-Q70 PolarHBondContact SD-NE2 2.69Å |
| 21 | G | 89.9 | Confident | 93 | Very high | 37 Ų | 37 | 17.2 Ų | 17.2 | 38% | 0.381 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | 6.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | G23 K125 | G21-G23 VanDerWaalsContact C-N 3.26Å; G21-K125 PolarHBondContact O-NZ 3.02Å |
| 22 | V | 94.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -74.5 | -15.3 | 172.1 | -55.9 | 0 | 0 | 0 | 0 | 113.1 | D19 M20 K24 V90 D92 T98 N124 | D19-V22 HydrophobicContact CB-CG1 3.77Å; D19-V22 WeakPolarHBondContact O-CG2 3.47Å; M20-V22 VanDerWaalsContact C-N 3.31Å; M20-V22 PolarHBondContact O-N 2.97Å; V22-K24 HydrophobicContact CG2-CD 4.39Å; V22-K24 HydrophobicContact CG2-CG 3.65Å; V22-V90 HydrophobicContact CB-CG1 4.28Å; V22-V90 HydrophobicContact CG2-CB 3.95Å; V22-V90 HydrophobicContact CG2-CG1 3.82Å; V22-D92 HydrophobicContact CB-CB 4.35Å; V22-D92 HydrophobicContact CG1-CB 4.17Å; V22-T98 HydrophobicContact CG1-CG2 3.6Å; V22-N124 PolarHBondContact O-ND2 3.1Å |
| 23 | G | 92.3 | Very high | 92.3 | Very high | 14 Ų | 14 | 19.7 Ų | 19.7 | 14% | 0.144 | 11% | 0.112 | C | C | . | . | trans | 98.7 | 28 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | G21 C26 L27 | G21-G23 VanDerWaalsContact C-N 3.26Å; G23-C26 WeakPolarHBondContact O-CB 3.5Å; G23-C26 PolarHBondContact O-N 3.04Å; G23-L27 WeakPolarHBondContact O-CG 3.48Å; G23-L27 PolarHBondContact O-N 3.26Å | ||
| 24 | K | 93.3 | Very high | 91.6 | Very high | 10 Ų | 10 | 24.7 Ų | 24.7 | 4% | 0.043 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -56.1 | -51.3 | 176.6 | -60.8 | -172.7 | -63.4 | -71.8 | 0 | 113.2 | I16 G18 D19 V22 C26 L27 L28 D66 T67 V90 | I16-K24 HydrophobicContact CB-CB 4.38Å; I16-K24 HydrophobicContact CG2-CB 3.64Å; I16-K24 HydrophobicContact CG2-CD 3.87Å; I16-K24 HydrophobicContact CG2-CG 3.67Å; G18-K24 WeakPolarHBondContact O-CE 3.29Å; G18-K24 PolarHBondContact O-NZ 3.19Å; D19-K24 PolarHBondContact O-NZ 2.91Å; V22-K24 HydrophobicContact CG2-CD 4.39Å; V22-K24 HydrophobicContact CG2-CG 3.65Å; K24-C26 VanDerWaalsContact C-N 3.33Å; K24-C26 PolarHBondContact O-N 3.32Å; K24-L27 WeakPolarHBondContact O-CB 3.37Å; K24-L27 PolarHBondContact O-N 3.47Å; K24-L28 PolarHBondContact O-N 2.71Å; K24-D66 WeakPolarHBondContact CB-OD1 3.39Å; K24-T67 WeakPolarHBondContact CE-O 3.44Å; K24-V90 HydrophobicContact CG-CB 4.2Å; K24-V90 HydrophobicContact CG-CG2 4.26Å |
| 25 | S | 91.4 | Very high | 90.6 | Very high | 10 Ų | 10 | 31 Ų | 31 | 7% | 0.07 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.3 | -40.6 | 176.9 | -38.7 | 0 | 0 | 0 | 0 | 111.1 | L27 L28 H29 T43 D66 | S25-L27 VanDerWaalsContact C-N 3.31Å; S25-L27 PolarHBondContact O-N 2.89Å; S25-L28 WeakPolarHBondContact O-CB 3.44Å; S25-L28 PolarHBondContact O-N 3.42Å; S25-L28 VanDerWaalsContact O-N 3.15Å; S25-H29 WeakPolarHBondContact O-CB 3.41Å; S25-H29 PolarHBondContact O-CD2 2.87Å; S25-H29 PolarHBondContact O-N 2.89Å; S25-T43 PolarHBondContact OG-OG1 3.39Å; S25-D66 WeakPolarHBondContact CA-OD2 3.33Å; S25-D66 VanDerWaalsContact CB-OD2 3.28Å; S25-D66 WeakPolarHBondContact CB-OD2 3.44Å; S25-D66 PolarHBondContact OG-OD2 2.96Å |
| 26 | C | 92.4 | Very high | 89.4 | Confident | 16 Ų | 16 | 35 Ų | 35 | 11% | 0.108 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.3 | -39.9 | 174.9 | -56.5 | 0 | 0 | 0 | 0 | 112 | G23 K24 Q30 F36 A155 | G23-C26 WeakPolarHBondContact O-CB 3.5Å; G23-C26 PolarHBondContact O-N 3.04Å; K24-C26 VanDerWaalsContact C-N 3.33Å; K24-C26 PolarHBondContact O-N 3.32Å; C26-Q30 WeakPolarHBondContact O-CB 3.41Å; C26-Q30 PolarHBondContact O-N 2.98Å; C26-F36 HydrophobicContact CB-CD2 4.44Å; C26-F36 HydrophobicContact CB-CE2 4.23Å; C26-A155 HydrophobicContact CB-CB 3.6Å |
| 27 | L | 93.6 | Very high | 88.1 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.8 | -42.2 | 174.4 | -73.6 | 169 | 0 | 0 | 0 | 111.6 | G23 K24 S25 F31 V90 I122 N124 A153 A155 V161 | G23-L27 WeakPolarHBondContact O-CG 3.48Å; G23-L27 PolarHBondContact O-N 3.26Å; K24-L27 WeakPolarHBondContact O-CB 3.37Å; K24-L27 PolarHBondContact O-N 3.47Å; S25-L27 VanDerWaalsContact C-N 3.31Å; S25-L27 PolarHBondContact O-N 2.89Å; L27-F31 VanDerWaalsContact O-CB 3.26Å; L27-F31 WeakPolarHBondContact O-CB 3.48Å; L27-F31 PolarHBondContact O-N 3.21Å; L27-V90 HydrophobicContact CD1-CB 4.45Å; L27-V90 HydrophobicContact CD1-CG1 3.72Å; L27-V90 HydrophobicContact CD1-CG2 3.82Å; L27-I122 HydrophobicContact CD1-CG2 4.25Å; L27-N124 HydrophobicContact CD1-CB 4.4Å; L27-A153 HydrophobicContact CD2-CB 4.39Å; L27-A155 HydrophobicContact CD2-CB 3.89Å; L27-A155 HydrophobicContact CG-CB 4.08Å; L27-V161 HydrophobicContact CD2-CB 4.48Å; L27-V161 HydrophobicContact CD2-CG1 4.16Å; L27-V161 HydrophobicContact CD2-CG2 3.76Å |
| 28 | L | 93.7 | Very high | 86.5 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.4 | -54.9 | 174.8 | 177.1 | 61.7 | 0 | 0 | 0 | 110.9 | I16 K24 S25 Q30 F31 T32 E47 I64 D66 | I16-L28 HydrophobicContact CD1-CB 4Å; K24-L28 PolarHBondContact O-N 2.71Å; S25-L28 WeakPolarHBondContact O-CB 3.44Å; S25-L28 PolarHBondContact O-N 3.42Å; S25-L28 VanDerWaalsContact O-N 3.15Å; L28-Q30 PolarHBondContact O-N 3.23Å; L28-F31 CarbonylContact O-C 3.58Å; L28-F31 WeakPolarHBondContact O-CB 3.02Å; L28-F31 PolarHBondContact O-N 2.99Å; L28-F31 VanDerWaalsContact O-N 3.13Å; L28-T32 HydrophobicContact CD1-CG2 3.95Å; L28-T32 PolarHBondContact O-N 3.29Å; L28-T32 PolarHBondContact O-OG1 2.84Å; L28-E47 HydrophobicContact CD2-CG 4.15Å; L28-I64 HydrophobicContact CD1-CB 3.77Å; L28-I64 HydrophobicContact CD1-CD1 3.94Å; L28-I64 HydrophobicContact CD1-CG1 4.49Å; L28-I64 HydrophobicContact CD1-CG2 3.68Å; L28-D66 HydrophobicContact CD2-CB 3.68Å |
| 29 | H | 91.4 | Very high | 84.9 | Confident | 17 Ų | 17 | 49.7 Ų | 49.7 | 8% | 0.079 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.9 | -41.4 | -179.1 | -75.4 | -60.4 | 0 | 0 | 0 | 112.4 | S25 F31 T32 E33 K34 E47 | S25-H29 WeakPolarHBondContact O-CB 3.41Å; S25-H29 PolarHBondContact O-CD2 2.87Å; S25-H29 PolarHBondContact O-N 2.89Å; H29-F31 VanDerWaalsContact C-N 3.29Å; H29-F31 PolarHBondContact O-N 3.42Å; H29-T32 PolarHBondContact O-N 3.3Å; H29-E33 WeakPolarHBondContact O-CA 3.37Å; H29-E33 WeakPolarHBondContact O-CB 3.31Å; H29-E33 PolarHBondContact O-N 3.01Å; H29-K34 PolarHBondContact O-N 2.93Å; H29-E47 IonicContact CE1-OE1 3.45Å; H29-E47 PolarHBondContact CE1-OE1 2.87Å; H29-E47 IonicContact CE1-OE2 3.67Å; H29-E47 IonicContact NE2-OE1 3.57Å; H29-E47 PolarHBondContact NE2-OE1 3.39Å; H29-E47 VanDerWaalsContact NE2-OE1 3.09Å; H29-E47 IonicContact NE2-OE2 2.71Å; H29-E47 PolarHBondContact NE2-OE2 3.45Å; H29-E47 VanDerWaalsContact NE2-OE2 3.14Å |
| 30 | Q | 93.4 | Very high | 83.5 | Confident | 27 Ų | 27 | 50.4 Ų | 50.4 | 13% | 0.126 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.2 | -36.1 | 176 | -173.8 | 66.1 | -9.1 | 0 | 0 | 111.3 | C26 L28 K34 K35 A155 V161 | C26-Q30 WeakPolarHBondContact O-CB 3.41Å; C26-Q30 PolarHBondContact O-N 2.98Å; L28-Q30 PolarHBondContact O-N 3.23Å; Q30-K34 VanDerWaalsContact O-CA 3.24Å; Q30-K34 WeakPolarHBondContact O-CA 3.22Å; Q30-K34 PolarHBondContact O-N 3.46Å; Q30-K35 VanDerWaalsContact OE1-N 3.13Å; Q30-K35 PolarHBondContact OE1-O 3.36Å; Q30-A155 WeakPolarHBondContact CG-O 3.32Å; Q30-V161 HydrophobicContact CB-CG1 4.2Å; Q30-V161 HydrophobicContact CG-CB 4.3Å; Q30-V161 HydrophobicContact CG-CG1 4.11Å; Q30-V161 HydrophobicContact CG-CG2 4.04Å |
| 31 | F | 92.9 | Very high | 82.3 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.009 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -73.3 | -39.6 | 175.9 | -179 | -109.5 | 0 | 0 | 0 | 113.2 | L27 L28 H29 R51 I53 L62 I64 V161 F165 | L27-F31 VanDerWaalsContact O-CB 3.26Å; L27-F31 WeakPolarHBondContact O-CB 3.48Å; L27-F31 PolarHBondContact O-N 3.21Å; L28-F31 CarbonylContact O-C 3.58Å; L28-F31 WeakPolarHBondContact O-CB 3.02Å; L28-F31 PolarHBondContact O-N 2.99Å; L28-F31 VanDerWaalsContact O-N 3.13Å; H29-F31 VanDerWaalsContact C-N 3.29Å; H29-F31 PolarHBondContact O-N 3.42Å; F31-R51 HydrophobicContact CD1-CB 4.33Å; F31-R51 HydrophobicContact CE1-CB 3.69Å; F31-R51 HydrophobicContact CE1-CG 4.11Å; F31-R51 HydrophobicContact CZ-CB 4.29Å; F31-R51 HydrophobicContact CZ-CG 4.27Å; F31-R51 WeakPolarHBondContact O-CD 3.41Å; F31-R51 PolarHBondContact O-NH1 3.27Å; F31-I53 HydrophobicContact CZ-CG2 3.81Å; F31-L62 HydrophobicContact CE1-CD1 4Å; F31-L62 HydrophobicContact CZ-CD1 3.88Å; F31-I64 HydrophobicContact CD1-CD1 3.57Å; F31-I64 HydrophobicContact CE1-CD1 3.62Å; F31-V161 HydrophobicContact CB-CG1 4.06Å; F31-F165 HydrophobicContact CB-CD2 3.93Å; F31-F165 HydrophobicContact CB-CE2 3.61Å; F31-F165 HydrophobicContact CB-CZ 4.05Å; F31-F165 AromaticContact CD1-CD1 3.93Å; F31-F165 HydrophobicContact CD1-CD1 3.93Å; F31-F165 HydrophobicContact CD1-CD2 4.1Å; F31-F165 HydrophobicContact CD1-CE1 4.08Å; F31-F165 HydrophobicContact CD1-CE2 4.26Å; F31-F165 AromaticContact CD1-CG 3.96Å; F31-F165 HydrophobicContact CD1-CG 3.96Å; F31-F165 HydrophobicContact CD1-CZ 4.24Å; F31-F165 HydrophobicContact CD2-CB 3.94Å; F31-F165 AromaticContact CD2-CD2 3.48Å; F31-F165 HydrophobicContact CD2-CD2 3.48Å; F31-F165 VanDerWaalsContact CD2-CD2 3.48Å; F31-F165 HydrophobicContact CD2-CE2 4.1Å; F31-F165 AromaticContact CD2-CG 3.75Å; F31-F165 HydrophobicContact CD2-CG 3.75Å; F31-F165 HydrophobicContact CE1-CB 4.16Å; F31-F165 AromaticContact CE1-CD1 3.92Å; F31-F165 HydrophobicContact CE1-CD1 3.92Å; F31-F165 HydrophobicContact CE1-CE1 4.47Å; F31-F165 AromaticContact CE1-CG 3.96Å; F31-F165 HydrophobicContact CE1-CG 3.96Å; F31-F165 HydrophobicContact CE2-CB 3.48Å; F31-F165 VanDerWaalsContact CE2-CB 3.48Å; F31-F165 AromaticContact CE2-CD2 3.98Å; F31-F165 HydrophobicContact CE2-CD2 3.98Å; F31-F165 AromaticContact CE2-CG 3.78Å; F31-F165 HydrophobicContact CE2-CG 3.78Å; F31-F165 HydrophobicContact CG-CB 4.47Å; F31-F165 HydrophobicContact CG-CD1 4.24Å; F31-F165 AromaticContact CG-CD2 3.56Å; F31-F165 HydrophobicContact CG-CD2 3.56Å; F31-F165 HydrophobicContact CG-CE1 4.38Å; F31-F165 AromaticContact CG-CE2 3.73Å; F31-F165 HydrophobicContact CG-CE2 3.73Å; F31-F165 AromaticContact CG-CG 3.84Å; F31-F165 HydrophobicContact CG-CG 3.84Å; F31-F165 HydrophobicContact CG-CZ 4.14Å; F31-F165 HydrophobicContact CZ-CB 3.6Å; F31-F165 HydrophobicContact CZ-CD1 4.24Å; F31-F165 HydrophobicContact CZ-CD2 4.45Å; F31-F165 AromaticContact CZ-CG 3.87Å; F31-F165 HydrophobicContact CZ-CG 3.87Å |
| 32 | T | 89.3 | Confident | 81.4 | Confident | 43 Ų | 43 | 56.3 Ų | 56.3 | 26% | 0.264 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -85.3 | -41 | -176.2 | 50.9 | 0 | 0 | 0 | 0 | 113.1 | L28 H29 | L28-T32 HydrophobicContact CD1-CG2 3.95Å; L28-T32 PolarHBondContact O-N 3.29Å; L28-T32 PolarHBondContact O-OG1 2.84Å; H29-T32 PolarHBondContact O-N 3.3Å |
| 33 | E | 85.5 | Confident | 80 | Confident | 103 Ų | 103 | 57.8 Ų | 57.8 | 48% | 0.481 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -111 | -9.4 | -170.9 | -55.8 | -167.2 | 179.7 | 0 | 0 | 114 | H29 K35 | H29-E33 WeakPolarHBondContact O-CA 3.37Å; H29-E33 WeakPolarHBondContact O-CB 3.31Å; H29-E33 PolarHBondContact O-N 3.01Å; E33-K35 HydrophobicContact CB-CB 4.25Å; E33-K35 HydrophobicContact CB-CD 4.42Å; E33-K35 HydrophobicContact CB-CG 4.37Å; E33-K35 PolarHBondContact O-N 3.46Å |
| 34 | K | 79.3 | Confident | 78.7 | Confident | 146 Ų | 146 | 64.5 Ų | 64.5 | 64% | 0.635 | 34% | 0.339 | S | S | * | . | S | Bend | trans | 54.1 | 33.4 | -169.8 | -58.4 | -169.7 | 174.5 | -166.2 | 0 | 112.7 | H29 Q30 | H29-K34 PolarHBondContact O-N 2.93Å; Q30-K34 VanDerWaalsContact O-CA 3.24Å; Q30-K34 WeakPolarHBondContact O-CA 3.22Å; Q30-K34 PolarHBondContact O-N 3.46Å |
| 35 | K | 73.6 | Confident | 77.5 | Confident | 132 Ų | 132 | 65 Ų | 65 | 57% | 0.574 | 35% | 0.347 | S | S | * | . | trans | -125.6 | 134.5 | 179.4 | -70.5 | 178 | -174.6 | 171.9 | 0 | 110.7 | Q30 E33 | Q30-K35 VanDerWaalsContact OE1-N 3.13Å; Q30-K35 PolarHBondContact OE1-O 3.36Å; E33-K35 HydrophobicContact CB-CB 4.25Å; E33-K35 HydrophobicContact CB-CD 4.42Å; E33-K35 HydrophobicContact CB-CG 4.37Å; E33-K35 PolarHBondContact O-N 3.46Å | ||
| 36 | F | 70 | Confident | 76.9 | Confident | 85 Ų | 85 | 66.4 Ų | 66.4 | 37% | 0.373 | 36% | 0.355 | S | S | . | . | trans | -88.7 | 124.1 | 167.7 | 179.2 | -111.9 | 0 | 0 | 0 | 110.3 | C26 A38 A155 K156 | C26-F36 HydrophobicContact CB-CD2 4.44Å; C26-F36 HydrophobicContact CB-CE2 4.23Å; F36-A38 HydrophobicContact CD1-CB 4.25Å; F36-A38 VanDerWaalsContact CE1-CA 3.49Å; F36-A38 HydrophobicContact CE1-CB 3.77Å; F36-A155 WeakPolarHBondContact CD2-O 3.08Å; F36-K156 HydrophobicContact CD1-CB 4.46Å; F36-K156 HydrophobicContact CD1-CG 4.02Å; F36-K156 VanDerWaalsContact CD2-CA 3.48Å; F36-K156 HydrophobicContact CD2-CB 4.08Å; F36-K156 HydrophobicContact CE1-CB 4.35Å; F36-K156 HydrophobicContact CE1-CG 3.94Å; F36-K156 HydrophobicContact CE2-CB 3.96Å; F36-K156 HydrophobicContact CE2-CG 4.45Å; F36-K156 HydrophobicContact CG-CB 4.31Å; F36-K156 HydrophobicContact CG-CG 4.31Å; F36-K156 HydrophobicContact CZ-CB 4.11Å; F36-K156 HydrophobicContact CZ-CG 4.16Å | ||
| 37 | M | 67.9 | Low | 76.5 | Confident | 80 Ų | 80 | 69 Ų | 69 | 39% | 0.394 | 37% | 0.365 | S | S | . | . | trans | -95.4 | 103 | 170.2 | -65.5 | -173.3 | 77.8 | 0 | 0 | 109.3 | C40 | M37-C40 HydrophobicContact CB-CB 4.41Š| ||
| 38 | A | 58.7 | Low | 76.3 | Confident | 77 Ų | 77 | 73.2 Ų | 73.2 | 64% | 0.636 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -40.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | F36 C40 | F36-A38 HydrophobicContact CD1-CB 4.25Å; F36-A38 VanDerWaalsContact CE1-CA 3.49Å; F36-A38 HydrophobicContact CE1-CB 3.77Å; A38-C40 PolarHBondContact O-N 2.81Å |
| 39 | D | 59.7 | Low | 76.1 | Confident | 153 Ų | 153 | 73.6 Ų | 73.6 | 82% | 0.818 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | 63.9 | 175.2 | -66.7 | -38.1 | 0 | 0 | 0 | 110.3 | P41 | D39-P41 WeakPolarHBondContact O-CD 3.38Š|
| 40 | C | 60.8 | Low | 76.1 | Confident | 39 Ų | 39 | 76 Ų | 76 | 26% | 0.264 | 40% | 0.404 | S | S | . | . | trans | -78.6 | 109.2 | 172.8 | -168.4 | 0 | 0 | 0 | 0 | 109.1 | M37 A38 | M37-C40 HydrophobicContact CB-CB 4.41Å; A38-C40 PolarHBondContact O-N 2.81Å | ||
| 41 | P | 64.9 | Low | 76.1 | Confident | 103 Ų | 103 | 77.2 Ų | 77.2 | 67% | 0.669 | 41% | 0.407 | S | S | * | . | trans | -60.4 | 156 | 173.7 | 26.4 | -33 | 0 | 0 | 0 | 109.8 | D39 T43 | D39-P41 WeakPolarHBondContact O-CD 3.38Å; P41-T43 PolarHBondContact O-N 3.22Å | ||
| 42 | H | 71.3 | Confident | 76.1 | Confident | 122 Ų | 122 | 80.2 Ų | 80.2 | 57% | 0.565 | 42% | 0.423 | S | S | * | . | trans | -60 | 128.6 | 176.2 | -61.6 | -46.6 | 0 | 0 | 0 | 110.7 | M20 I44 | M20-H42 HydrophobicContact CE-CB 4.04Å; M20-H42 WeakPolarHBondContact CE-CD2 3.48Å; M20-H42 WeakPolarHBondContact CE-CE1 3.17Å; M20-H42 WeakPolarHBondContact CE-ND1 3.24Å; M20-H42 WeakPolarHBondContact CE-NE2 3.29Å; H42-I44 PolarHBondContact O-N 3.46Å; H42-I44 VanDerWaalsContact O-N 3.11Å | ||
| 43 | T | 63.7 | Low | 76.3 | Confident | 32 Ų | 32 | 78.7 Ų | 78.7 | 20% | 0.196 | 41% | 0.413 | C | S | . | . | trans | -59.6 | 115.4 | 177.3 | -37 | 0 | 0 | 0 | 0 | 109.9 | S25 P41 E47 D66 A68 | S25-T43 PolarHBondContact OG-OG1 3.39Å; P41-T43 PolarHBondContact O-N 3.22Å; T43-E47 HydrophobicContact CG2-CB 4.42Å; T43-D66 PolarHBondContact OG1-OD2 2.82Å; T43-A68 WeakPolarHBondContact O-CB 3.24Å | ||
| 44 | I | 65.5 | Low | 76.6 | Confident | 155 Ų | 155 | 80 Ų | 80 | 80% | 0.795 | 42% | 0.419 | S | S | * | . | trans | -93.1 | 108.2 | 170.9 | -61.4 | 172.2 | 0 | 0 | 0 | 106.6 | H42 | H42-I44 PolarHBondContact O-N 3.46Å; H42-I44 VanDerWaalsContact O-N 3.11Å | ||
| 45 | G | 68.9 | Low | 77.2 | Confident | 21 Ų | 21 | 73.2 Ų | 73.2 | 22% | 0.216 | 39% | 0.39 | C | S | . | . | S | Bend | trans | 85.1 | -122.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A68 | G45-A68 WeakPolarHBondContact O-CB 3.48Å; G45-A68 PolarHBondContact O-N 3.19Å |
| 46 | V | 78.2 | Confident | 77.9 | Confident | 38 Ų | 38 | 71.6 Ų | 71.6 | 23% | 0.23 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 133.9 | -172.8 | -179.7 | 0 | 0 | 0 | 0 | 110 | W65 D66 Y80 | V46-W65 HydrophobicContact CG1-CB 4.24Å; V46-W65 HydrophobicContact CG1-CD2 4.49Å; V46-W65 HydrophobicContact CG1-CE3 3.58Å; V46-W65 HydrophobicContact CG1-CZ3 4.34Å; V46-D66 CarbonylContact C-O 3.5Å; V46-D66 VanDerWaalsContact CA-O 3.27Å; V46-D66 WeakPolarHBondContact CA-O 3.23Å; V46-D66 VanDerWaalsContact CG1-O 3.25Å; V46-D66 WeakPolarHBondContact CG1-O 3.4Å; V46-Y80 HydrophobicContact CB-CE1 4.35Å; V46-Y80 HydrophobicContact CB-CE2 4.19Å; V46-Y80 HydrophobicContact CG1-CD1 4.14Å; V46-Y80 HydrophobicContact CG1-CE1 3.95Å; V46-Y80 HydrophobicContact CG1-CE2 4.41Å; V46-Y80 HydrophobicContact CG1-CG 4.45Å; V46-Y80 HydrophobicContact CG2-CD2 3.82Å; V46-Y80 HydrophobicContact CG2-CE1 4.4Å; V46-Y80 HydrophobicContact CG2-CE2 3.43Å; V46-Y80 VanDerWaalsContact CG2-CE2 3.43Å; V46-Y80 HydrophobicContact CG2-CG 4.43Å |
| 47 | E | 85.2 | Confident | 78.7 | Confident | 70 Ų | 70 | 70.1 Ų | 70.1 | 33% | 0.327 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 147.4 | 173.8 | -176.2 | 170.8 | -163.9 | 0 | 0 | 110 | L28 H29 T43 W65 D66 | L28-E47 HydrophobicContact CD2-CG 4.15Å; H29-E47 IonicContact CE1-OE1 3.45Å; H29-E47 PolarHBondContact CE1-OE1 2.87Å; H29-E47 IonicContact CE1-OE2 3.67Å; H29-E47 IonicContact NE2-OE1 3.57Å; H29-E47 PolarHBondContact NE2-OE1 3.39Å; H29-E47 VanDerWaalsContact NE2-OE1 3.09Å; H29-E47 IonicContact NE2-OE2 2.71Å; H29-E47 PolarHBondContact NE2-OE2 3.45Å; H29-E47 VanDerWaalsContact NE2-OE2 3.14Å; T43-E47 HydrophobicContact CG2-CB 4.42Å; E47-W65 CarbonylContact O-C 3.43Å; E47-W65 WeakPolarHBondContact O-CA 3.47Å; E47-D66 HydrophobicContact CB-CB 4.25Å; E47-D66 PolarHBondContact N-O 2.85Å; E47-D66 PolarHBondContact O-N 2.83Å |
| 48 | F | 87.8 | Confident | 79.8 | Confident | 90 Ų | 90 | 69.2 Ų | 69.2 | 40% | 0.395 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 122.8 | -175.8 | 178.1 | -105.5 | 0 | 0 | 0 | 110.9 | T50 Q63 I64 W65 | F48-T50 HydrophobicContact CD1-CG2 4.21Å; F48-T50 HydrophobicContact CE1-CG2 3.27Å; F48-T50 HydrophobicContact CE2-CG2 4.24Å; F48-T50 HydrophobicContact CZ-CG2 3.29Å; F48-Q63 HydrophobicContact CE2-CB 3.84Å; F48-Q63 HydrophobicContact CE2-CG 4.17Å; F48-Q63 HydrophobicContact CZ-CB 4.1Å; F48-Q63 HydrophobicContact CZ-CG 3.91Å; F48-I64 WeakPolarHBondContact CA-O 3.26Å; F48-W65 HydrophobicContact CB-CE3 4.14Å; F48-W65 HydrophobicContact CB-CZ3 4.09Å; F48-W65 AromaticContact CD2-CD2 3.69Å; F48-W65 HydrophobicContact CD2-CD2 3.69Å; F48-W65 AromaticContact CD2-CE2 3.58Å; F48-W65 AromaticContact CD2-CE3 3.84Å; F48-W65 HydrophobicContact CD2-CE3 3.84Å; F48-W65 HydrophobicContact CD2-CG 4.3Å; F48-W65 AromaticContact CD2-CH2 3.96Å; F48-W65 HydrophobicContact CD2-CH2 3.96Å; F48-W65 AromaticContact CD2-CZ2 3.75Å; F48-W65 HydrophobicContact CD2-CZ2 3.75Å; F48-W65 AromaticContact CD2-CZ3 3.98Å; F48-W65 HydrophobicContact CD2-CZ3 3.98Å; F48-W65 HydrophobicContact CE2-CD2 4.3Å; F48-W65 AromaticContact CE2-CE2 3.76Å; F48-W65 HydrophobicContact CE2-CH2 4.42Å; F48-W65 AromaticContact CE2-CZ2 3.85Å; F48-W65 HydrophobicContact CE2-CZ2 3.85Å; F48-W65 AromaticContact CE2-NE1 3.89Å; F48-W65 HydrophobicContact CG-CE3 4.41Å; F48-W65 HydrophobicContact CG-CH2 4.44Å; F48-W65 HydrophobicContact CG-CZ3 4.31Å |
| 49 | G | 89.6 | Confident | 81.4 | Confident | 10 Ų | 10 | 70.8 Ų | 70.8 | 10% | 0.103 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 152.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | I64 | G49-I64 PolarHBondContact N-O 2.8Å; G49-I64 PolarHBondContact O-N 3.46Å |
| 50 | T | 92.8 | Very high | 83.1 | Confident | 67 Ų | 67 | 63.5 Ų | 63.5 | 41% | 0.411 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 138.9 | 173 | 65.8 | 0 | 0 | 0 | 0 | 111.4 | F48 L62 Q63 | F48-T50 HydrophobicContact CD1-CG2 4.21Å; F48-T50 HydrophobicContact CE1-CG2 3.27Å; F48-T50 HydrophobicContact CE2-CG2 4.24Å; F48-T50 HydrophobicContact CZ-CG2 3.29Å; T50-L62 VanDerWaalsContact CA-O 3.24Å; T50-L62 WeakPolarHBondContact CA-O 3.28Å; T50-Q63 HydrophobicContact CG2-CG 4.22Å |
| 51 | R | 92.9 | Very high | 84.7 | Confident | 53 Ų | 53 | 64.1 Ų | 64.1 | 20% | 0.2 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 137 | 172.7 | -174.4 | 167.8 | 171.8 | -157.1 | -10.6 | 109.6 | F31 I53 L62 E162 | F31-R51 HydrophobicContact CD1-CB 4.33Å; F31-R51 HydrophobicContact CE1-CB 3.69Å; F31-R51 HydrophobicContact CE1-CG 4.11Å; F31-R51 HydrophobicContact CZ-CB 4.29Å; F31-R51 HydrophobicContact CZ-CG 4.27Å; F31-R51 WeakPolarHBondContact O-CD 3.41Å; F31-R51 PolarHBondContact O-NH1 3.27Å; R51-I53 HydrophobicContact CG-CG2 4.34Å; R51-L62 PolarHBondContact N-O 2.72Å; R51-L62 VanDerWaalsContact N-O 3.15Å; R51-L62 PolarHBondContact O-N 3.06Å; R51-E162 IonicContact CZ-OE1 3.02Å; R51-E162 IonicContact NH1-OE1 2.83Å; R51-E162 IonicContact NH2-OE1 3.54Å; R51-E162 PolarHBondContact NH2-OE1 3.41Å |
| 52 | I | 93.1 | Very high | 86.2 | Confident | 66 Ų | 66 | 59.2 Ų | 59.2 | 34% | 0.338 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 126.8 | 171 | -60.3 | 174.4 | 0 | 0 | 0 | 107.3 | Y6 Y8 K59 I60 K61 | Y6-I52 HydrophobicContact CD1-CD1 3.85Å; Y8-I52 HydrophobicContact CD1-CD1 4.23Å; I52-K59 HydrophobicContact CG2-CB 4.26Å; I52-I60 WeakPolarHBondContact CA-O 3.37Å; I52-K61 HydrophobicContact CG1-CB 4.22Å; I52-K61 HydrophobicContact CG1-CG 4.21Å |
| 53 | I | 93.8 | Very high | 87.3 | Confident | 11 Ų | 11 | 56.1 Ų | 56.1 | 6% | 0.056 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 164.1 | 175.7 | 59.7 | 169.7 | 0 | 0 | 0 | 109.6 | F31 R51 V55 K59 I60 L62 L166 A169 | F31-I53 HydrophobicContact CZ-CG2 3.81Å; R51-I53 HydrophobicContact CG-CG2 4.34Å; I53-V55 HydrophobicContact CD1-CG2 3.74Å; I53-V55 HydrophobicContact CG1-CG2 4.23Å; I53-K59 WeakPolarHBondContact O-CA 3.34Å; I53-I60 HydrophobicContact CG1-CB 4.14Å; I53-I60 PolarHBondContact N-O 2.9Å; I53-I60 PolarHBondContact O-N 3.35Å; I53-L62 HydrophobicContact CD1-CD1 3.63Å; I53-L62 HydrophobicContact CD1-CD2 4.04Å; I53-L62 HydrophobicContact CD1-CG 3.79Å; I53-L62 HydrophobicContact CG1-CD1 4.26Å; I53-L62 HydrophobicContact CG1-CG 4.04Å; I53-L62 HydrophobicContact CG2-CD1 4.41Å; I53-L166 HydrophobicContact CB-CD2 3.88Å; I53-L166 HydrophobicContact CD1-CD2 3.62Å; I53-L166 HydrophobicContact CG1-CD2 4.31Å; I53-L166 HydrophobicContact CG2-CD2 4.03Å; I53-A169 HydrophobicContact CD1-CB 3.49Å; I53-A169 VanDerWaalsContact CD1-CB 3.49Å |
| 54 | E | 92 | Very high | 88.7 | Confident | 129 Ų | 129 | 54.6 Ų | 54.6 | 60% | 0.603 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 123.5 | 173.5 | -168.7 | 172 | 157.8 | 0 | 0 | 109.6 | Q58 | E54-Q58 WeakPolarHBondContact CA-O 3.32Å |
| 55 | V | 91.5 | Very high | 90 | Very high | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.024 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 119.7 | -178.7 | 175.2 | 0 | 0 | 0 | 0 | 107.7 | I53 G57 Q58 I60 L166 A169 K170 Y173 | I53-V55 HydrophobicContact CD1-CG2 3.74Å; I53-V55 HydrophobicContact CG1-CG2 4.23Å; V55-G57 PolarHBondContact O-N 3.12Å; V55-Q58 PolarHBondContact N-O 3.02Å; V55-Q58 WeakPolarHBondContact O-CB 3.21Å; V55-Q58 PolarHBondContact O-N 3.14Å; V55-I60 HydrophobicContact CB-CD1 3.84Å; V55-I60 HydrophobicContact CG1-CD1 4.45Å; V55-I60 HydrophobicContact CG2-CD1 4.19Å; V55-L166 HydrophobicContact CG2-CD2 4.38Å; V55-A169 HydrophobicContact CG2-CB 4Å; V55-K170 HydrophobicContact CG1-CB 4.27Å; V55-K170 HydrophobicContact CG1-CG 3.63Å; V55-Y173 HydrophobicContact CG1-CD1 4.42Å |
| 56 | S | 87.6 | Confident | 91 | Very high | 99 Ų | 99 | 49.2 Ų | 49.2 | 69% | 0.692 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 39.9 | -179.4 | -56 | 0 | 0 | 0 | 0 | 113.6 | Q58 | S56-Q58 PolarHBondContact O-N 2.84Š|
| 57 | G | 86.9 | Confident | 91.2 | Very high | 53 Ų | 53 | 47.5 Ų | 47.5 | 55% | 0.546 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 3.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115 | V55 | V55-G57 PolarHBondContact O-N 3.12Š|
| 58 | Q | 90.3 | Very high | 90.7 | Very high | 61 Ų | 61 | 44.2 Ų | 44.2 | 29% | 0.285 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 132.3 | 174.8 | -63.5 | -58.7 | -40 | 0 | 0 | 111.1 | S9 Y10 E54 V55 S56 I60 Y173 | S9-Q58 PolarHBondContact OG-OE1 2.81Å; Y10-Q58 HydrophobicContact CD2-CB 4.46Å; Y10-Q58 HydrophobicContact CE2-CB 4.45Å; Y10-Q58 HydrophobicContact CE2-CG 4.3Å; E54-Q58 WeakPolarHBondContact CA-O 3.32Å; V55-Q58 PolarHBondContact N-O 3.02Å; V55-Q58 WeakPolarHBondContact O-CB 3.21Å; V55-Q58 PolarHBondContact O-N 3.14Å; S56-Q58 PolarHBondContact O-N 2.84Å; Q58-I60 HydrophobicContact CB-CG1 4.49Å; Q58-Y173 HydrophobicContact CG-CE2 4.11Å; Q58-Y173 WeakPolarHBondContact CG-OH 3.4Å |
| 59 | K | 92.9 | Very high | 89.5 | Confident | 110 Ų | 110 | 40.5 Ų | 40.5 | 48% | 0.478 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 120.1 | 171.6 | -71.6 | -179.9 | 179.2 | -179.6 | 0 | 109.6 | N7 Y8 S9 I52 I53 | N7-K59 WeakPolarHBondContact O-CD 3.26Å; Y8-K59 CarbonylContact C-O 3.56Å; Y8-K59 WeakPolarHBondContact CA-O 3.36Å; Y8-K59 WeakPolarHBondContact CB-O 3.27Å; S9-K59 PolarHBondContact N-O 3.31Å; I52-K59 HydrophobicContact CG2-CB 4.26Å; I53-K59 WeakPolarHBondContact O-CA 3.34Å |
| 60 | I | 94.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 126.6 | -177.8 | -53.9 | -174.8 | 0 | 0 | 0 | 108.5 | Y10 F12 I52 I53 V55 Q58 L62 Y173 | Y10-I60 HydrophobicContact CD2-CG1 4.39Å; Y10-I60 WeakPolarHBondContact O-CA 3.3Å; F12-I60 HydrophobicContact CB-CG2 4.43Å; F12-I60 HydrophobicContact CD1-CG2 4.39Å; F12-I60 HydrophobicContact CD2-CD1 4.37Å; F12-I60 HydrophobicContact CD2-CG2 3.52Å; F12-I60 HydrophobicContact CE2-CD1 3.59Å; F12-I60 HydrophobicContact CE2-CG2 3.74Å; F12-I60 HydrophobicContact CG-CG2 3.85Å; F12-I60 HydrophobicContact CZ-CD1 3.95Å; F12-I60 HydrophobicContact CZ-CG2 4.24Å; I52-I60 WeakPolarHBondContact CA-O 3.37Å; I53-I60 HydrophobicContact CG1-CB 4.14Å; I53-I60 PolarHBondContact N-O 2.9Å; I53-I60 PolarHBondContact O-N 3.35Å; V55-I60 HydrophobicContact CB-CD1 3.84Å; V55-I60 HydrophobicContact CG1-CD1 4.45Å; V55-I60 HydrophobicContact CG2-CD1 4.19Å; Q58-I60 HydrophobicContact CB-CG1 4.49Å; I60-L62 HydrophobicContact CG2-CD2 4.13Å; I60-Y173 HydrophobicContact CD1-CD2 4.38Å; I60-Y173 HydrophobicContact CD1-CG 4.48Å |
| 61 | K | 94.9 | Very high | 86.6 | Confident | 52 Ų | 52 | 47 Ų | 47 | 23% | 0.226 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 111.7 | 172.9 | -175.7 | 173.8 | -178.5 | 176.3 | 0 | 109.4 | Y8 Y10 I11 F12 I52 | Y8-K61 HydrophobicContact CD1-CB 4.26Å; Y8-K61 HydrophobicContact CD1-CD 4.27Å; Y8-K61 HydrophobicContact CD2-CB 3.98Å; Y8-K61 HydrophobicContact CE1-CD 3.85Å; Y8-K61 HydrophobicContact CE2-CB 4.32Å; Y8-K61 HydrophobicContact CE2-CD 4.3Å; Y8-K61 HydrophobicContact CG-CB 3.96Å; Y10-K61 PolarHBondContact O-N 3.44Å; I11-K61 WeakPolarHBondContact CA-O 3.48Å; I11-K61 HydrophobicContact CG1-CB 4.28Å; F12-K61 PolarHBondContact N-O 3Å; I52-K61 HydrophobicContact CG1-CB 4.22Å; I52-K61 HydrophobicContact CG1-CG 4.21Å |
| 62 | L | 95.8 | Very high | 84.9 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 131.4 | 169.8 | -60.1 | -171.2 | 0 | 0 | 0 | 110 | F12 Y14 F31 T50 R51 I53 I60 I64 F165 A169 | F12-L62 HydrophobicContact CB-CD2 3.83Å; F12-L62 HydrophobicContact CD2-CD2 4.16Å; F12-L62 HydrophobicContact CG-CD2 4.46Å; F12-L62 WeakPolarHBondContact O-CA 3.38Å; Y14-L62 HydrophobicContact CD2-CD1 4.32Å; Y14-L62 HydrophobicContact CE1-CD2 4.19Å; Y14-L62 HydrophobicContact CE2-CD1 3.9Å; Y14-L62 HydrophobicContact CE2-CD2 4.1Å; F31-L62 HydrophobicContact CE1-CD1 4Å; F31-L62 HydrophobicContact CZ-CD1 3.88Å; T50-L62 VanDerWaalsContact CA-O 3.24Å; T50-L62 WeakPolarHBondContact CA-O 3.28Å; R51-L62 PolarHBondContact N-O 2.72Å; R51-L62 VanDerWaalsContact N-O 3.15Å; R51-L62 PolarHBondContact O-N 3.06Å; I53-L62 HydrophobicContact CD1-CD1 3.63Å; I53-L62 HydrophobicContact CD1-CD2 4.04Å; I53-L62 HydrophobicContact CD1-CG 3.79Å; I53-L62 HydrophobicContact CG1-CD1 4.26Å; I53-L62 HydrophobicContact CG1-CG 4.04Å; I53-L62 HydrophobicContact CG2-CD1 4.41Å; I60-L62 HydrophobicContact CG2-CD2 4.13Å; L62-I64 HydrophobicContact CB-CD1 4.34Å; L62-I64 HydrophobicContact CB-CG1 4.22Å; L62-F165 HydrophobicContact CD1-CB 4.21Å; L62-F165 HydrophobicContact CD1-CD1 4.38Å; L62-A169 HydrophobicContact CD2-CB 4.42Å |
| 63 | Q | 94.9 | Very high | 83.3 | Confident | 57 Ų | 57 | 54.5 Ų | 54.5 | 27% | 0.266 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 106.8 | 171.9 | -76.6 | -170.7 | -32.2 | 0 | 0 | 108.1 | I11 F12 K13 Y14 F48 T50 | I11-Q63 HydrophobicContact CG2-CG 3.98Å; F12-Q63 PolarHBondContact O-N 3.29Å; K13-Q63 CarbonylContact C-O 3.6Å; K13-Q63 WeakPolarHBondContact CA-O 3.44Å; Y14-Q63 PolarHBondContact N-O 3.17Å; F48-Q63 HydrophobicContact CE2-CB 3.84Å; F48-Q63 HydrophobicContact CE2-CG 4.17Å; F48-Q63 HydrophobicContact CZ-CB 4.1Å; F48-Q63 HydrophobicContact CZ-CG 3.91Å; T50-Q63 HydrophobicContact CG2-CG 4.22Å |
| 64 | I | 94.6 | Very high | 81.9 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 124.2 | -168.1 | -53.7 | 155.5 | 0 | 0 | 0 | 108.9 | Y14 I16 L28 F31 F48 G49 L62 F165 | Y14-I64 HydrophobicContact CD2-CG1 4.46Å; I16-I64 HydrophobicContact CD1-CG2 3.69Å; I16-I64 HydrophobicContact CG1-CG2 3.71Å; L28-I64 HydrophobicContact CD1-CB 3.77Å; L28-I64 HydrophobicContact CD1-CD1 3.94Å; L28-I64 HydrophobicContact CD1-CG1 4.49Å; L28-I64 HydrophobicContact CD1-CG2 3.68Å; F31-I64 HydrophobicContact CD1-CD1 3.57Å; F31-I64 HydrophobicContact CE1-CD1 3.62Å; F48-I64 WeakPolarHBondContact CA-O 3.26Å; G49-I64 PolarHBondContact N-O 2.8Å; G49-I64 PolarHBondContact O-N 3.46Å; L62-I64 HydrophobicContact CB-CD1 4.34Å; L62-I64 HydrophobicContact CB-CG1 4.22Å; I64-F165 HydrophobicContact CD1-CD1 3.85Å; I64-F165 HydrophobicContact CD1-CE1 3.53Å; I64-F165 HydrophobicContact CD1-CZ 4.44Å; I64-F165 HydrophobicContact CG1-CD1 4.4Å; I64-F165 HydrophobicContact CG1-CE1 4.04Å; I64-F165 HydrophobicContact CG2-CE1 4.09Å |
| 65 | W | 92.3 | Very high | 80.3 | Confident | 64 Ų | 64 | 54.8 Ų | 54.8 | 24% | 0.242 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 106.9 | 175.6 | -62.3 | 89.5 | 0 | 0 | 0 | 109 | Y14 I15 I16 V46 E47 F48 Y80 | Y14-W65 PolarHBondContact O-N 3.15Å; I15-W65 WeakPolarHBondContact CA-O 3.46Å; I15-W65 HydrophobicContact CG2-CB 4.27Å; I16-W65 PolarHBondContact N-O 3.37Å; V46-W65 HydrophobicContact CG1-CB 4.24Å; V46-W65 HydrophobicContact CG1-CD2 4.49Å; V46-W65 HydrophobicContact CG1-CE3 3.58Å; V46-W65 HydrophobicContact CG1-CZ3 4.34Å; E47-W65 CarbonylContact O-C 3.43Å; E47-W65 WeakPolarHBondContact O-CA 3.47Å; F48-W65 HydrophobicContact CB-CE3 4.14Å; F48-W65 HydrophobicContact CB-CZ3 4.09Å; F48-W65 AromaticContact CD2-CD2 3.69Å; F48-W65 HydrophobicContact CD2-CD2 3.69Å; F48-W65 AromaticContact CD2-CE2 3.58Å; F48-W65 AromaticContact CD2-CE3 3.84Å; F48-W65 HydrophobicContact CD2-CE3 3.84Å; F48-W65 HydrophobicContact CD2-CG 4.3Å; F48-W65 AromaticContact CD2-CH2 3.96Å; F48-W65 HydrophobicContact CD2-CH2 3.96Å; F48-W65 AromaticContact CD2-CZ2 3.75Å; F48-W65 HydrophobicContact CD2-CZ2 3.75Å; F48-W65 AromaticContact CD2-CZ3 3.98Å; F48-W65 HydrophobicContact CD2-CZ3 3.98Å; F48-W65 HydrophobicContact CE2-CD2 4.3Å; F48-W65 AromaticContact CE2-CE2 3.76Å; F48-W65 HydrophobicContact CE2-CH2 4.42Å; F48-W65 AromaticContact CE2-CZ2 3.85Å; F48-W65 HydrophobicContact CE2-CZ2 3.85Å; F48-W65 AromaticContact CE2-NE1 3.89Å; F48-W65 HydrophobicContact CG-CE3 4.41Å; F48-W65 HydrophobicContact CG-CH2 4.44Å; F48-W65 HydrophobicContact CG-CZ3 4.31Å; W65-Y80 AromaticContact CD2-CD1 3.71Å; W65-Y80 HydrophobicContact CD2-CD1 3.71Å; W65-Y80 HydrophobicContact CD2-CE1 4.11Å; W65-Y80 AromaticContact CE3-CD1 3.55Å; W65-Y80 HydrophobicContact CE3-CD1 3.55Å; W65-Y80 AromaticContact CE3-CE1 3.48Å; W65-Y80 HydrophobicContact CE3-CE1 3.48Å; W65-Y80 VanDerWaalsContact CE3-CE1 3.48Å; W65-Y80 HydrophobicContact CG-CD1 4.18Å; W65-Y80 HydrophobicContact CH2-CE1 4.1Å; W65-Y80 AromaticContact CZ3-CD1 3.97Å; W65-Y80 HydrophobicContact CZ3-CD1 3.97Å; W65-Y80 AromaticContact CZ3-CE1 3.47Å; W65-Y80 HydrophobicContact CZ3-CE1 3.47Å; W65-Y80 VanDerWaalsContact CZ3-CE1 3.47Å |
| 66 | D | 89.1 | Confident | 78.9 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 126 | 170.1 | 174.5 | 44.5 | 0 | 0 | 0 | 109.6 | I16 K24 S25 L28 T43 V46 E47 | I16-D66 HydrophobicContact CD1-CB 4.45Å; K24-D66 WeakPolarHBondContact CB-OD1 3.39Å; S25-D66 WeakPolarHBondContact CA-OD2 3.33Å; S25-D66 VanDerWaalsContact CB-OD2 3.28Å; S25-D66 WeakPolarHBondContact CB-OD2 3.44Å; S25-D66 PolarHBondContact OG-OD2 2.96Å; L28-D66 HydrophobicContact CD2-CB 3.68Å; T43-D66 PolarHBondContact OG1-OD2 2.82Å; V46-D66 CarbonylContact C-O 3.5Å; V46-D66 VanDerWaalsContact CA-O 3.27Å; V46-D66 WeakPolarHBondContact CA-O 3.23Å; V46-D66 VanDerWaalsContact CG1-O 3.25Å; V46-D66 WeakPolarHBondContact CG1-O 3.4Å; E47-D66 HydrophobicContact CB-CB 4.25Å; E47-D66 PolarHBondContact N-O 2.85Å; E47-D66 PolarHBondContact O-N 2.83Å |
| 67 | T | 82.1 | Confident | 78 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 143.5 | -171.7 | 70 | 0 | 0 | 0 | 0 | 111.2 | I16 K24 G69 T77 | I16-T67 PolarHBondContact O-N 2.78Å; I16-T67 PolarHBondContact O-OG1 2.88Å; K24-T67 WeakPolarHBondContact CE-O 3.44Å; T67-G69 PolarHBondContact O-N 3.03Å; T67-T77 VanDerWaalsContact CB-CG2 3.5Å; T67-T77 HydrophobicContact CG2-CG2 3.49Å; T67-T77 VanDerWaalsContact CG2-CG2 3.49Å |
| 68 | A | 74.9 | Confident | 77.2 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 2% | 0.017 | 27% | 0.27 | C | S | . | . | trans | -58 | 125.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | T43 G45 Q70 F73 | T43-A68 WeakPolarHBondContact O-CB 3.24Å; G45-A68 WeakPolarHBondContact O-CB 3.48Å; G45-A68 PolarHBondContact O-N 3.19Å; A68-Q70 PolarHBondContact O-N 3.46Å; A68-F73 HydrophobicContact CB-CB 4.13Å; A68-F73 HydrophobicContact CB-CD2 3.93Å; A68-F73 HydrophobicContact CB-CG 4.32Å | ||
| 69 | G | 63.9 | Low | 76.7 | Confident | 12 Ų | 12 | 59 Ų | 59 | 12% | 0.124 | 28% | 0.283 | C | S | . | . | trans | -80 | 7.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | G18 M20 T67 | G18-G69 VanDerWaalsContact O-CA 3.25Å; G18-G69 WeakPolarHBondContact O-CA 3.45Å; M20-G69 PolarHBondContact N-O 3.13Å; T67-G69 PolarHBondContact O-N 3.03Å | ||
| 70 | Q | 63.1 | Low | 76.2 | Confident | 63 Ų | 63 | 56.7 Ų | 56.7 | 29% | 0.294 | 27% | 0.271 | S | S | . | . | trans | -85 | 131.7 | 176.6 | -74 | -177.3 | 16.4 | 0 | 0 | 110.5 | M20 A68 R72 F73 | M20-Q70 HydrophobicContact CB-CG 4.38Å; M20-Q70 HydrophobicContact CE-CG 4.49Å; M20-Q70 VanDerWaalsContact CE-NE2 3.35Å; M20-Q70 HydrophobicContact CG-CG 4.28Å; M20-Q70 HydrophobicContact SD-CG 3.38Å; M20-Q70 WeakPolarHBondContact SD-CG 3.13Å; M20-Q70 PolarHBondContact SD-NE2 2.69Å; A68-Q70 PolarHBondContact O-N 3.46Å; Q70-R72 PolarHBondContact O-N 3.16Å; Q70-R72 VanDerWaalsContact O-N 3.12Å; Q70-F73 HydrophobicContact CB-CD2 3.96Å; Q70-F73 HydrophobicContact CB-CE2 4.5Å; Q70-F73 PolarHBondContact O-N 3.28Å | ||
| 71 | E | 57.8 | Low | 75.7 | Confident | 150 Ų | 150 | 56.9 Ų | 56.9 | 70% | 0.701 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -50.2 | -34.8 | 174.7 | 65.3 | -140.2 | 173.7 | 0 | 0 | 113.9 | F73 R74 | E71-F73 PolarHBondContact O-N 3.33Å; E71-R74 WeakPolarHBondContact O-CB 3.26Å; E71-R74 PolarHBondContact O-N 3.39Å; E71-R74 VanDerWaalsContact O-N 3.09Å |
| 72 | R | 56.9 | Low | 75.3 | Confident | 208 Ų | 208 | 64.4 Ų | 64.4 | 79% | 0.785 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -62.8 | -23.5 | 178.7 | -63.4 | -175.6 | -169.4 | -174.3 | 3.4 | 113.2 | Q70 | Q70-R72 PolarHBondContact O-N 3.16Å; Q70-R72 VanDerWaalsContact O-N 3.12Å |
| 73 | F | 60 | Low | 74.8 | Confident | 68 Ų | 68 | 66.3 Ų | 66.3 | 30% | 0.298 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -101.4 | -0.1 | 178.1 | -61.9 | -62.6 | 0 | 0 | 0 | 113.6 | A68 Q70 E71 A75 V76 T77 | A68-F73 HydrophobicContact CB-CB 4.13Å; A68-F73 HydrophobicContact CB-CD2 3.93Å; A68-F73 HydrophobicContact CB-CG 4.32Å; Q70-F73 HydrophobicContact CB-CD2 3.96Å; Q70-F73 HydrophobicContact CB-CE2 4.5Å; Q70-F73 PolarHBondContact O-N 3.28Å; E71-F73 PolarHBondContact O-N 3.33Å; F73-A75 PolarHBondContact O-N 3.43Å; F73-A75 VanDerWaalsContact O-N 3.07Å; F73-V76 WeakPolarHBondContact O-CA 3.3Å; F73-V76 WeakPolarHBondContact O-CB 3.4Å; F73-V76 PolarHBondContact O-N 2.89Å; F73-T77 PolarHBondContact O-N 2.99Å; F73-T77 PolarHBondContact O-OG1 3.47Å; F73-T77 VanDerWaalsContact O-OG1 3.06Å |
| 74 | R | 62.9 | Low | 74.7 | Confident | 66 Ų | 66 | 63.7 Ų | 63.7 | 25% | 0.249 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -53.4 | -34.5 | -179.4 | -85.9 | -176.3 | 167 | -170.2 | -2.8 | 113.3 | E71 T77 R78 S104 W105 D108 | E71-R74 WeakPolarHBondContact O-CB 3.26Å; E71-R74 PolarHBondContact O-N 3.39Å; E71-R74 VanDerWaalsContact O-N 3.09Å; R74-T77 WeakPolarHBondContact O-CB 3.4Å; R74-T77 PolarHBondContact O-N 2.8Å; R74-R78 WeakPolarHBondContact O-CG 3.5Å; R74-R78 PolarHBondContact O-N 3.36Å; R74-S104 PolarHBondContact NH1-OG 2.66Å; R74-S104 PolarHBondContact NH2-OG 3.19Å; R74-W105 HydrophobicContact CG-CH2 4.19Å; R74-W105 HydrophobicContact CG-CZ3 4.44Å; R74-W105 VanDerWaalsContact NH2-CE2 3.32Å; R74-D108 IonicContact CZ-OD2 2.76Å; R74-D108 IonicContact NE-OD2 3.72Å; R74-D108 IonicContact NH1-OD2 3.61Å |
| 75 | A | 60.3 | Low | 74.7 | Confident | 80 Ų | 80 | 64.5 Ų | 64.5 | 66% | 0.661 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -65 | -38.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | F73 T77 R78 | F73-A75 PolarHBondContact O-N 3.43Å; F73-A75 VanDerWaalsContact O-N 3.07Å; A75-T77 VanDerWaalsContact C-N 3.32Å; A75-R78 PolarHBondContact O-N 3.02Å |
| 76 | V | 61 | Low | 74.9 | Confident | 74 Ų | 74 | 61.4 Ų | 61.4 | 45% | 0.448 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -69.6 | -33.8 | 175.1 | -178.1 | 0 | 0 | 0 | 0 | 110.3 | F73 R78 S79 Y80 | F73-V76 WeakPolarHBondContact O-CA 3.3Å; F73-V76 WeakPolarHBondContact O-CB 3.4Å; F73-V76 PolarHBondContact O-N 2.89Å; V76-R78 VanDerWaalsContact C-N 3.31Å; V76-R78 PolarHBondContact O-N 2.94Å; V76-S79 PolarHBondContact O-OG 3.29Å; V76-S79 VanDerWaalsContact O-OG 3.13Å; V76-Y80 HydrophobicContact CG1-CE2 4.44Å; V76-Y80 WeakPolarHBondContact O-CD2 3.42Å; V76-Y80 WeakPolarHBondContact O-CE2 3.41Å |
| 77 | T | 67.9 | Low | 75.2 | Confident | 3 Ų | 3 | 61.5 Ų | 61.5 | 2% | 0.018 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.5 | -29.4 | 179.1 | -44.2 | 0 | 0 | 0 | 0 | 113 | T67 F73 R74 A75 S79 Y80 Y81 | T67-T77 VanDerWaalsContact CB-CG2 3.5Å; T67-T77 HydrophobicContact CG2-CG2 3.49Å; T67-T77 VanDerWaalsContact CG2-CG2 3.49Å; F73-T77 PolarHBondContact O-N 2.99Å; F73-T77 PolarHBondContact O-OG1 3.47Å; F73-T77 VanDerWaalsContact O-OG1 3.06Å; R74-T77 WeakPolarHBondContact O-CB 3.4Å; R74-T77 PolarHBondContact O-N 2.8Å; A75-T77 VanDerWaalsContact C-N 3.32Å; T77-S79 VanDerWaalsContact C-N 3.29Å; T77-S79 PolarHBondContact O-N 2.96Å; T77-Y80 WeakPolarHBondContact O-CB 3.44Å; T77-Y80 PolarHBondContact O-N 3.32Å; T77-Y81 HydrophobicContact CG2-CD2 4.31Å; T77-Y81 HydrophobicContact CG2-CE2 3.61Å; T77-Y81 VanDerWaalsContact O-CD2 3.22Å; T77-Y81 WeakPolarHBondContact O-CD2 2.99Å |
| 78 | R | 72 | Confident | 75.9 | Confident | 150 Ų | 150 | 61.4 Ų | 61.4 | 57% | 0.566 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -55.8 | -37.4 | -175.1 | -66.9 | -166.6 | 173.2 | 174.4 | -3.7 | 114.1 | R74 A75 V76 Y80 Y81 L112 | R74-R78 WeakPolarHBondContact O-CG 3.5Å; R74-R78 PolarHBondContact O-N 3.36Å; A75-R78 PolarHBondContact O-N 3.02Å; V76-R78 VanDerWaalsContact C-N 3.31Å; V76-R78 PolarHBondContact O-N 2.94Å; R78-Y80 PolarHBondContact O-N 2.82Å; R78-Y81 PolarHBondContact O-N 3.4Å; R78-L112 HydrophobicContact CB-CD1 4.36Å; R78-L112 HydrophobicContact CG-CD1 3.81Å; R78-L112 HydrophobicContact CG-CD2 4.38Å |
| 79 | S | 78.4 | Confident | 76.9 | Confident | 80 Ų | 80 | 61.3 Ų | 61.3 | 56% | 0.559 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -65.2 | -26 | 179.7 | 58.7 | 0 | 0 | 0 | 0 | 112.8 | V76 T77 | V76-S79 PolarHBondContact O-OG 3.29Å; V76-S79 VanDerWaalsContact O-OG 3.13Å; T77-S79 VanDerWaalsContact C-N 3.29Å; T77-S79 PolarHBondContact O-N 2.96Å |
| 80 | Y | 82.9 | Confident | 78.5 | Confident | 60 Ų | 60 | 60.8 Ų | 60.8 | 24% | 0.235 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -81 | -23 | -178 | -62.6 | -82.6 | 0 | 0 | 0 | 113.3 | K13 I15 V46 W65 V76 T77 R78 R82 | K13-Y80 WeakPolarHBondContact CE-O 3.49Å; K13-Y80 PolarHBondContact NZ-O 3.48Å; I15-Y80 WeakPolarHBondContact CG2-O 3.15Å; V46-Y80 HydrophobicContact CB-CE1 4.35Å; V46-Y80 HydrophobicContact CB-CE2 4.19Å; V46-Y80 HydrophobicContact CG1-CD1 4.14Å; V46-Y80 HydrophobicContact CG1-CE1 3.95Å; V46-Y80 HydrophobicContact CG1-CE2 4.41Å; V46-Y80 HydrophobicContact CG1-CG 4.45Å; V46-Y80 HydrophobicContact CG2-CD2 3.82Å; V46-Y80 HydrophobicContact CG2-CE1 4.4Å; V46-Y80 HydrophobicContact CG2-CE2 3.43Å; V46-Y80 VanDerWaalsContact CG2-CE2 3.43Å; V46-Y80 HydrophobicContact CG2-CG 4.43Å; W65-Y80 AromaticContact CD2-CD1 3.71Å; W65-Y80 HydrophobicContact CD2-CD1 3.71Å; W65-Y80 HydrophobicContact CD2-CE1 4.11Å; W65-Y80 AromaticContact CE3-CD1 3.55Å; W65-Y80 HydrophobicContact CE3-CD1 3.55Å; W65-Y80 AromaticContact CE3-CE1 3.48Å; W65-Y80 HydrophobicContact CE3-CE1 3.48Å; W65-Y80 VanDerWaalsContact CE3-CE1 3.48Å; W65-Y80 HydrophobicContact CG-CD1 4.18Å; W65-Y80 HydrophobicContact CH2-CE1 4.1Å; W65-Y80 AromaticContact CZ3-CD1 3.97Å; W65-Y80 HydrophobicContact CZ3-CD1 3.97Å; W65-Y80 AromaticContact CZ3-CE1 3.47Å; W65-Y80 HydrophobicContact CZ3-CE1 3.47Å; W65-Y80 VanDerWaalsContact CZ3-CE1 3.47Å; V76-Y80 HydrophobicContact CG1-CE2 4.44Å; V76-Y80 WeakPolarHBondContact O-CD2 3.42Å; V76-Y80 WeakPolarHBondContact O-CE2 3.41Å; T77-Y80 WeakPolarHBondContact O-CB 3.44Å; T77-Y80 PolarHBondContact O-N 3.32Å; R78-Y80 PolarHBondContact O-N 2.82Å; Y80-R82 VanDerWaalsContact C-N 3.29Å; Y80-R82 PolarHBondContact O-N 3.23Å |
| 81 | Y | 85.1 | Confident | 80.1 | Confident | 5 Ų | 5 | 57.8 Ų | 57.8 | 2% | 0.02 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.7 | -32.2 | 175 | -73.1 | -96.7 | 0 | 0 | 0 | 112.7 | I15 I17 T77 R78 G83 A84 A109 L112 T113 | I15-Y81 HydrophobicContact CD1-CD1 3.19Å; I15-Y81 HydrophobicContact CD1-CE1 3.48Å; I15-Y81 VanDerWaalsContact CD1-CE1 3.48Å; I15-Y81 HydrophobicContact CD1-CG 3.82Å; I17-Y81 HydrophobicContact CD1-CE1 4.36Å; I17-Y81 HydrophobicContact CG2-CE1 3.99Å; I17-Y81 WeakPolarHBondContact CG2-OH 3.26Å; T77-Y81 HydrophobicContact CG2-CD2 4.31Å; T77-Y81 HydrophobicContact CG2-CE2 3.61Å; T77-Y81 VanDerWaalsContact O-CD2 3.22Å; T77-Y81 WeakPolarHBondContact O-CD2 2.99Å; R78-Y81 PolarHBondContact O-N 3.4Å; Y81-G83 PolarHBondContact O-N 2.85Å; Y81-A84 WeakPolarHBondContact O-CB 3.23Å; Y81-A84 PolarHBondContact O-N 3.13Å; Y81-A84 VanDerWaalsContact O-N 3.1Å; Y81-A109 HydrophobicContact CE1-CB 4.16Å; Y81-L112 WeakPolarHBondContact CB-O 3.41Å; Y81-L112 HydrophobicContact CD1-CB 3.99Å; Y81-L112 HydrophobicContact CD1-CD1 4.47Å; Y81-L112 HydrophobicContact CD2-CB 4.26Å; Y81-L112 HydrophobicContact CD2-CD1 3.86Å; Y81-L112 HydrophobicContact CE2-CD1 3.98Å; Y81-L112 HydrophobicContact CG-CB 3.7Å; Y81-L112 HydrophobicContact CG-CD1 4.11Å; Y81-T113 HydrophobicContact CD1-CG2 3.61Å; Y81-T113 HydrophobicContact CG-CG2 4.26Å |
| 82 | R | 85.3 | Confident | 82 | Confident | 209 Ų | 209 | 50.7 Ų | 50.7 | 79% | 0.789 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 124.7 | -177 | -172.9 | 176.9 | 179.4 | 130 | 0.6 | 111.3 | K13 Y80 A84 | K13-R82 PolarHBondContact NZ-O 3.42Å; Y80-R82 VanDerWaalsContact C-N 3.29Å; Y80-R82 PolarHBondContact O-N 3.23Å; R82-A84 PolarHBondContact O-N 2.86Å |
| 83 | G | 86.3 | Confident | 84 | Confident | 41 Ų | 41 | 40.8 Ų | 40.8 | 42% | 0.423 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72 | 13.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y81 A85 | Y81-G83 PolarHBondContact O-N 2.85Å; G83-A85 PolarHBondContact O-N 3.46Å |
| 84 | A | 92.6 | Very high | 85.8 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | trans | -65.3 | 130.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | K13 I15 Y81 R82 T113 T117 | K13-A84 CarbonylContact O-C 3.59Å; K13-A84 WeakPolarHBondContact O-CA 3.43Å; I15-A84 HydrophobicContact CD1-CB 4.34Å; I15-A84 HydrophobicContact CG1-CB 4.14Å; I15-A84 HydrophobicContact CG2-CB 4.07Å; Y81-A84 WeakPolarHBondContact O-CB 3.23Å; Y81-A84 PolarHBondContact O-N 3.13Å; Y81-A84 VanDerWaalsContact O-N 3.1Å; R82-A84 PolarHBondContact O-N 2.86Å; A84-T113 HydrophobicContact CB-CG2 4.37Å; A84-T117 PolarHBondContact O-OG1 3.14Å | ||
| 85 | A | 94.3 | Very high | 87.4 | Confident | 17 Ų | 17 | 40.7 Ų | 40.7 | 14% | 0.14 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -89.9 | -26.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F12 K13 G83 V118 I172 | F12-A85 HydrophobicContact CB-CB 4.47Å; K13-A85 PolarHBondContact O-N 2.89Å; G83-A85 PolarHBondContact O-N 3.46Å; A85-V118 PolarHBondContact O-N 2.87Å; A85-I172 HydrophobicContact CB-CD1 4.06Å; A85-I172 HydrophobicContact CB-CG2 4.16Å; A85-I172 VanDerWaalsContact O-CD1 3.23Å; A85-I172 WeakPolarHBondContact O-CD1 3.4Å |
| 86 | G | 95.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 147.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K13 Y14 I15 V118 | K13-G86 PolarHBondContact O-N 2.86Å; Y14-G86 VanDerWaalsContact CA-O 3.3Å; Y14-G86 WeakPolarHBondContact CA-O 3.37Å; I15-G86 PolarHBondContact N-O 2.97Å; I15-G86 VanDerWaalsContact N-O 3.14Å; G86-V118 CarbonylContact C-O 3.53Å; G86-V118 WeakPolarHBondContact CA-O 3.49Å |
| 87 | A | 95.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.008 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 124.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | I15 T117 V118 I119 I120 | I15-A87 HydrophobicContact CD1-CB 4.02Å; I15-A87 HydrophobicContact CG1-CB 3.72Å; I15-A87 WeakPolarHBondContact O-CA 3.46Å; A87-T117 HydrophobicContact CB-CG2 4.38Å; A87-V118 PolarHBondContact N-O 3.33Å; A87-I119 HydrophobicContact CB-CG1 4.27Å; A87-I119 HydrophobicContact CB-CG2 4.49Å; A87-I119 WeakPolarHBondContact O-CA 3.44Å; A87-I120 PolarHBondContact O-N 3.25Å |
| 88 | L | 96.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 107.5 | 173.7 | -70.2 | 78.4 | 0 | 0 | 0 | 107.7 | Y14 I15 I16 I17 I120 I122 F165 | Y14-L88 HydrophobicContact CD2-CD1 3.48Å; Y14-L88 VanDerWaalsContact CD2-CD1 3.48Å; Y14-L88 HydrophobicContact CE2-CD1 4.15Å; Y14-L88 HydrophobicContact CG-CD1 3.98Å; I15-L88 PolarHBondContact O-N 2.92Å; I16-L88 WeakPolarHBondContact CA-O 3.44Å; I16-L88 HydrophobicContact CB-CB 4.5Å; I16-L88 HydrophobicContact CG1-CB 4.32Å; I16-L88 HydrophobicContact CG2-CB 4.15Å; I17-L88 PolarHBondContact N-O 2.82Å; L88-I120 HydrophobicContact CB-CG2 4.23Å; L88-I120 HydrophobicContact CD1-CG2 4.5Å; L88-I120 HydrophobicContact CG-CG2 3.74Å; L88-I122 HydrophobicContact CB-CD1 4Å; L88-I122 HydrophobicContact CD2-CD1 3.71Å; L88-I122 HydrophobicContact CG-CD1 4.02Å; L88-F165 HydrophobicContact CD1-CD1 4.44Å; L88-F165 HydrophobicContact CD1-CE1 4.26Å; L88-F165 HydrophobicContact CD2-CD1 3.8Å; L88-F165 HydrophobicContact CD2-CD2 4.15Å; L88-F165 HydrophobicContact CD2-CE1 3.38Å; L88-F165 HydrophobicContact CD2-CE2 3.78Å; L88-F165 HydrophobicContact CD2-CG 4.17Å; L88-F165 HydrophobicContact CD2-CZ 3.38Å |
| 89 | M | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 113.8 | 178.4 | -174.3 | 170.7 | 56.9 | 0 | 0 | 109.3 | I17 L102 W105 L106 I119 I120 L121 I122 F142 L148 | I17-M89 HydrophobicContact CD1-CB 4.24Å; I17-M89 HydrophobicContact CD1-CG 4.26Å; I17-M89 HydrophobicContact CG1-CB 3.97Å; I17-M89 HydrophobicContact CG1-CG 4.09Å; M89-L102 HydrophobicContact CE-CD2 4.09Å; M89-L102 HydrophobicContact CG-CD2 3.6Å; M89-L102 HydrophobicContact SD-CB 4.49Å; M89-L102 HydrophobicContact SD-CD2 3.81Å; M89-W105 HydrophobicContact CG-CB 4.27Å; M89-W105 HydrophobicContact SD-CB 3.77Å; M89-L106 HydrophobicContact CE-CB 4.23Å; M89-L106 HydrophobicContact CE-CD1 4.44Å; M89-L106 HydrophobicContact SD-CB 4.06Å; M89-I119 HydrophobicContact CB-CG2 4.34Å; M89-I119 HydrophobicContact CE-CG2 4.5Å; M89-I120 PolarHBondContact N-O 3.35Å; M89-L121 HydrophobicContact CE-CD1 3.97Å; M89-L121 CarbonylContact O-C 3.6Å; M89-L121 WeakPolarHBondContact O-CA 3.11Å; M89-I122 PolarHBondContact O-N 2.94Å; M89-F142 HydrophobicContact CE-CE1 4.28Å; M89-L148 HydrophobicContact CE-CD1 3.62Å |
| 90 | V | 97.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 134 | -167.6 | -169.8 | 0 | 0 | 0 | 0 | 111 | I16 I17 V22 K24 L27 I122 N124 | I16-V90 HydrophobicContact CG2-CG2 3.64Å; I17-V90 PolarHBondContact O-N 2.74Å; V22-V90 HydrophobicContact CB-CG1 4.28Å; V22-V90 HydrophobicContact CG2-CB 3.95Å; V22-V90 HydrophobicContact CG2-CG1 3.82Å; K24-V90 HydrophobicContact CG-CB 4.2Å; K24-V90 HydrophobicContact CG-CG2 4.26Å; L27-V90 HydrophobicContact CD1-CB 4.45Å; L27-V90 HydrophobicContact CD1-CG1 3.72Å; L27-V90 HydrophobicContact CD1-CG2 3.82Å; V90-I122 WeakPolarHBondContact CA-O 3.34Å; V90-I122 HydrophobicContact CG2-CB 4.36Å; V90-I122 HydrophobicContact CG2-CD1 4.46Å; V90-N124 HydrophobicContact CG1-CB 3.76Å |
| 91 | Y | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 169.1 | 167.1 | 74.3 | -78.4 | 0 | 0 | 0 | 111 | I93 Y99 L102 L121 I122 N124 V134 A139 F150 | Y91-I93 HydrophobicContact CE2-CB 4.49Å; Y91-I93 HydrophobicContact CE2-CG2 3.87Å; Y91-Y99 HydrophobicContact CD2-CD2 4.22Å; Y91-Y99 HydrophobicContact CE2-CD2 4.2Å; Y91-L102 HydrophobicContact CD1-CD1 3.96Å; Y91-L102 HydrophobicContact CD1-CD2 4.44Å; Y91-L102 HydrophobicContact CG-CD1 4.19Å; Y91-L121 HydrophobicContact CD1-CD1 3.69Å; Y91-L121 HydrophobicContact CD1-CG 4.3Å; Y91-L121 HydrophobicContact CE1-CD1 3.92Å; Y91-L121 HydrophobicContact CE1-CD2 4.32Å; Y91-L121 HydrophobicContact CE1-CG 4.03Å; Y91-I122 WeakPolarHBondContact CD1-O 3.48Å; Y91-I122 PolarHBondContact N-O 3.18Å; Y91-N124 PolarHBondContact O-N 3.1Å; Y91-V134 HydrophobicContact CD2-CG2 4.47Å; Y91-V134 HydrophobicContact CE2-CB 3.93Å; Y91-V134 HydrophobicContact CE2-CG1 3.72Å; Y91-V134 HydrophobicContact CE2-CG2 4.25Å; Y91-A139 HydrophobicContact CE1-CB 4.26Å; Y91-A139 WeakPolarHBondContact OH-CB 3.37Å; Y91-F150 HydrophobicContact CE1-CE2 4.24Å |
| 92 | D | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 119.2 | 177.1 | 179.9 | -5.1 | 0 | 0 | 0 | 109.3 | V22 T94 R95 T98 K125 | V22-D92 HydrophobicContact CB-CB 4.35Å; V22-D92 HydrophobicContact CG1-CB 4.17Å; D92-T94 PolarHBondContact O-N 2.84Å; D92-T94 VanDerWaalsContact O-N 3.15Å; D92-T94 PolarHBondContact OD1-N 2.94Å; D92-T94 PolarHBondContact OD1-OG1 3.2Å; D92-T94 VanDerWaalsContact OD1-OG1 3.11Å; D92-R95 HydrophobicContact CB-CB 4.08Å; D92-R95 PolarHBondContact O-N 2.85Å; D92-R95 IonicContact OD2-CZ 3.64Å; D92-R95 IonicContact OD2-NE 3.71Å; D92-R95 IonicContact OD2-NH2 3.7Å; D92-T98 HydrophobicContact CB-CG2 4.37Å; D92-T98 PolarHBondContact N-OG1 2.76Å; D92-T98 PolarHBondContact O-OG1 3.45Å; D92-K125 WeakPolarHBondContact OD1-CD 3.39Å; D92-K125 IonicContact OD1-NZ 3.73Å; D92-K125 VanDerWaalsContact OD2-CE 3.29Å; D92-K125 WeakPolarHBondContact OD2-CE 3.45Å; D92-K125 IonicContact OD2-NZ 3.97Å; D92-K125 PolarHBondContact OD2-NZ 2.71Å |
| 93 | I | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -20.8 | -177.7 | 67.6 | 159.3 | 0 | 0 | 0 | 113 | Y91 R95 N124 K125 D133 V134 | Y91-I93 HydrophobicContact CE2-CB 4.49Å; Y91-I93 HydrophobicContact CE2-CG2 3.87Å; I93-R95 VanDerWaalsContact C-N 3.34Å; I93-N124 PolarHBondContact N-O 3.38Å; I93-N124 VanDerWaalsContact N-O 3.14Å; I93-K125 WeakPolarHBondContact CD1-O 3.2Å; I93-D133 PolarHBondContact O-N 3.24Å; I93-V134 PolarHBondContact O-N 3.11Å; I93-V134 VanDerWaalsContact O-N 3.08Å |
| 94 | T | 97.8 | Very high | 95.9 | Very high | 31 Ų | 31 | 30 Ų | 30 | 19% | 0.19 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 5.2 | 179.2 | 83 | 0 | 0 | 0 | 0 | 112.5 | D92 L128 Q131 | D92-T94 PolarHBondContact O-N 2.84Å; D92-T94 VanDerWaalsContact O-N 3.15Å; D92-T94 PolarHBondContact OD1-N 2.94Å; D92-T94 PolarHBondContact OD1-OG1 3.2Å; D92-T94 VanDerWaalsContact OD1-OG1 3.11Å; T94-L128 HydrophobicContact CG2-CB 3.54Å; T94-L128 HydrophobicContact CG2-CD1 3.96Å; T94-L128 HydrophobicContact CG2-CG 4.41Å; T94-Q131 WeakPolarHBondContact CA-O 3.49Å; T94-Q131 VanDerWaalsContact CB-O 3.29Å; T94-Q131 WeakPolarHBondContact CB-O 3.06Å; T94-Q131 HydrophobicContact CG2-CB 3.89Å |
| 95 | R | 97.1 | Very high | 95.9 | Very high | 102 Ų | 102 | 30.1 Ų | 30.1 | 39% | 0.385 | 16% | 0.158 | S | C | . | . | trans | -141.2 | 94.4 | -175.2 | -164.1 | -174.7 | -50.7 | 167.2 | -0.1 | 112.2 | D92 I93 S97 T98 | D92-R95 HydrophobicContact CB-CB 4.08Å; D92-R95 PolarHBondContact O-N 2.85Å; D92-R95 IonicContact OD2-CZ 3.64Å; D92-R95 IonicContact OD2-NE 3.71Å; D92-R95 IonicContact OD2-NH2 3.7Å; I93-R95 VanDerWaalsContact C-N 3.34Å; R95-S97 WeakPolarHBondContact CG-OG 3.35Å; R95-S97 PolarHBondContact O-N 2.83Å; R95-S97 VanDerWaalsContact O-N 3.08Å; R95-T98 HydrophobicContact CB-CG2 4.23Å; R95-T98 HydrophobicContact CG-CG2 4.16Å; R95-T98 PolarHBondContact O-N 2.97Å; R95-T98 PolarHBondContact O-OG1 3.04Å | ||
| 96 | R | 96.7 | Very high | 95.9 | Very high | 91 Ų | 91 | 29.6 Ų | 29.6 | 34% | 0.343 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -50 | -36.1 | 179 | -170.5 | 69.5 | 162.3 | -152.6 | 14.2 | 114.8 | T98 Y99 N100 D133 E138 | R96-T98 PolarHBondContact O-N 3.14Å; R96-Y99 WeakPolarHBondContact O-CB 3.49Å; R96-Y99 PolarHBondContact O-N 3.49Å; R96-Y99 VanDerWaalsContact O-N 3.13Å; R96-N100 PolarHBondContact O-N 3.19Å; R96-D133 WeakPolarHBondContact CB-OD2 3.4Å; R96-D133 PolarHBondContact N-OD2 3.21Å; R96-D133 PolarHBondContact NH1-O 2.7Å; R96-E138 IonicContact CZ-OE1 2.98Å; R96-E138 IonicContact CZ-OE2 3.89Å; R96-E138 VanDerWaalsContact NH1-CD 3.3Å; R96-E138 IonicContact NH1-OE1 3.96Å; R96-E138 PolarHBondContact NH1-OE1 2.64Å; R96-E138 IonicContact NH1-OE2 2.66Å; R96-E138 PolarHBondContact NH1-OE2 3.49Å; R96-E138 IonicContact NH2-OE2 3.96Å; R96-E138 PolarHBondContact NH2-OE2 2.91Å |
| 97 | S | 96.2 | Very high | 95.7 | Very high | 55 Ų | 55 | 33.1 Ų | 33.1 | 39% | 0.385 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -58.8 | -37.2 | -179.5 | 69.8 | 0 | 0 | 0 | 0 | 112.4 | R95 Y99 N100 H101 | R95-S97 WeakPolarHBondContact CG-OG 3.35Å; R95-S97 PolarHBondContact O-N 2.83Å; R95-S97 VanDerWaalsContact O-N 3.08Å; S97-Y99 VanDerWaalsContact C-N 3.32Å; S97-N100 PolarHBondContact O-N 3.11Å; S97-H101 PolarHBondContact O-N 3.04Å; S97-H101 PolarHBondContact O-ND1 2.99Å |
| 98 | T | 96.2 | Very high | 95.4 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.6 | -32.3 | -179.6 | 66.9 | 0 | 0 | 0 | 0 | 111.9 | D19 V22 D92 R95 R96 | D19-T98 HydrophobicContact CB-CG2 3.81Å; V22-T98 HydrophobicContact CG1-CG2 3.6Å; D92-T98 HydrophobicContact CB-CG2 4.37Å; D92-T98 PolarHBondContact N-OG1 2.76Å; D92-T98 PolarHBondContact O-OG1 3.45Å; R95-T98 HydrophobicContact CB-CG2 4.23Å; R95-T98 HydrophobicContact CG-CG2 4.16Å; R95-T98 PolarHBondContact O-N 2.97Å; R95-T98 PolarHBondContact O-OG1 3.04Å; R96-T98 PolarHBondContact O-N 3.14Å |
| 99 | Y | 97.1 | Very high | 95.1 | Very high | 31 Ų | 31 | 34.7 Ų | 34.7 | 12% | 0.122 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.9 | -45.4 | 172.9 | 174.9 | -98.3 | 0 | 0 | 0 | 111.6 | Y91 R96 S97 H101 L102 V134 E138 A139 F142 | Y91-Y99 HydrophobicContact CD2-CD2 4.22Å; Y91-Y99 HydrophobicContact CE2-CD2 4.2Å; R96-Y99 WeakPolarHBondContact O-CB 3.49Å; R96-Y99 PolarHBondContact O-N 3.49Å; R96-Y99 VanDerWaalsContact O-N 3.13Å; S97-Y99 VanDerWaalsContact C-N 3.32Å; Y99-H101 PolarHBondContact O-N 3.47Å; Y99-H101 VanDerWaalsContact O-N 3.12Å; Y99-L102 HydrophobicContact CD2-CD1 3.38Å; Y99-L102 HydrophobicContact CE2-CD1 3.78Å; Y99-L102 HydrophobicContact CG-CD1 4.14Å; Y99-L102 WeakPolarHBondContact O-CB 3.41Å; Y99-L102 WeakPolarHBondContact O-CD1 3.27Å; Y99-L102 WeakPolarHBondContact O-CG 3.46Å; Y99-L102 PolarHBondContact O-N 2.6Å; Y99-V134 HydrophobicContact CD1-CG1 4.35Å; Y99-V134 HydrophobicContact CD2-CG1 3.65Å; Y99-V134 HydrophobicContact CE2-CG1 4.04Å; Y99-V134 HydrophobicContact CG-CG1 3.84Å; Y99-V134 HydrophobicContact CG-CG2 4.06Å; Y99-E138 PolarHBondContact OH-O 3Å; Y99-A139 HydrophobicContact CE2-CB 3.99Å; Y99-F142 WeakPolarHBondContact OH-CB 3.38Å |
| 100 | N | 95.8 | Very high | 94.9 | Very high | 95 Ų | 95 | 40.6 Ų | 40.6 | 51% | 0.508 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.2 | -26.8 | 178.6 | -66.3 | -16.3 | 0 | 0 | 0 | 112.9 | R96 S97 L102 | R96-N100 PolarHBondContact O-N 3.19Å; S97-N100 PolarHBondContact O-N 3.11Å; N100-L102 VanDerWaalsContact C-N 3.35Å |
| 101 | H | 94.4 | Very high | 94.5 | Very high | 89 Ų | 89 | 46.4 Ų | 46.4 | 41% | 0.412 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -7.3 | 177 | -62.8 | 156.9 | 0 | 0 | 0 | 114.2 | D19 S97 Y99 S103 S104 W105 | D19-H101 IonicContact OD1-ND1 2.68Å; D19-H101 IonicContact OD2-CE1 3.72Å; D19-H101 IonicContact OD2-CG 3.74Å; D19-H101 IonicContact OD2-ND1 3.57Å; D19-H101 PolarHBondContact OD2-ND1 3.3Å; S97-H101 PolarHBondContact O-N 3.04Å; S97-H101 PolarHBondContact O-ND1 2.99Å; Y99-H101 PolarHBondContact O-N 3.47Å; Y99-H101 VanDerWaalsContact O-N 3.12Å; H101-S103 VanDerWaalsContact C-N 3.27Å; H101-S103 PolarHBondContact O-N 3.49Å; H101-S104 WeakPolarHBondContact O-CB 3.14Å; H101-S104 PolarHBondContact O-N 3.08Å; H101-W105 VanDerWaalsContact O-CD1 3.26Å; H101-W105 PolarHBondContact O-N 3.22Å; H101-W105 VanDerWaalsContact O-N 3.16Å |
| 102 | L | 94.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57 | -38.1 | -179.8 | -72.6 | 171.9 | 0 | 0 | 0 | 112.6 | M89 Y91 Y99 N100 S104 W105 L106 L121 F142 | M89-L102 HydrophobicContact CE-CD2 4.09Å; M89-L102 HydrophobicContact CG-CD2 3.6Å; M89-L102 HydrophobicContact SD-CB 4.49Å; M89-L102 HydrophobicContact SD-CD2 3.81Å; Y91-L102 HydrophobicContact CD1-CD1 3.96Å; Y91-L102 HydrophobicContact CD1-CD2 4.44Å; Y91-L102 HydrophobicContact CG-CD1 4.19Å; Y99-L102 HydrophobicContact CD2-CD1 3.38Å; Y99-L102 HydrophobicContact CE2-CD1 3.78Å; Y99-L102 HydrophobicContact CG-CD1 4.14Å; Y99-L102 WeakPolarHBondContact O-CB 3.41Å; Y99-L102 WeakPolarHBondContact O-CD1 3.27Å; Y99-L102 WeakPolarHBondContact O-CG 3.46Å; Y99-L102 PolarHBondContact O-N 2.6Å; N100-L102 VanDerWaalsContact C-N 3.35Å; L102-S104 VanDerWaalsContact C-N 3.28Å; L102-S104 PolarHBondContact O-N 3.1Å; L102-W105 PolarHBondContact O-N 2.81Å; L102-L106 VanDerWaalsContact O-CB 3.3Å; L102-L106 WeakPolarHBondContact O-CB 3.4Å; L102-L106 PolarHBondContact O-N 2.92Å; L102-L121 HydrophobicContact CD1-CD1 3.6Å; L102-L121 HydrophobicContact CD1-CD2 4.44Å; L102-L121 HydrophobicContact CD2-CD1 3.58Å; L102-L121 HydrophobicContact CG-CD1 4.23Å; L102-F142 HydrophobicContact CB-CE1 4.05Å; L102-F142 HydrophobicContact CB-CZ 3.95Å; L102-F142 HydrophobicContact CD1-CE1 4.37Å |
| 103 | S | 94.1 | Very high | 93.6 | Very high | 66 Ų | 66 | 49.6 Ų | 49.6 | 46% | 0.462 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.7 | -36.9 | 177.2 | -55.4 | 0 | 0 | 0 | 0 | 112.5 | H101 T107 | H101-S103 VanDerWaalsContact C-N 3.27Å; H101-S103 PolarHBondContact O-N 3.49Å; S103-T107 WeakPolarHBondContact O-CB 3.38Å; S103-T107 PolarHBondContact O-N 2.86Å; S103-T107 PolarHBondContact O-OG1 2.91Å |
| 104 | S | 92.4 | Very high | 93.1 | Very high | 48 Ų | 48 | 54 Ų | 54 | 34% | 0.336 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -68.6 | -45.3 | 174.8 | 172.7 | 0 | 0 | 0 | 0 | 111 | R74 H101 L102 L106 T107 D108 | R74-S104 PolarHBondContact NH1-OG 2.66Å; R74-S104 PolarHBondContact NH2-OG 3.19Å; H101-S104 WeakPolarHBondContact O-CB 3.14Å; H101-S104 PolarHBondContact O-N 3.08Å; L102-S104 VanDerWaalsContact C-N 3.28Å; L102-S104 PolarHBondContact O-N 3.1Å; S104-L106 VanDerWaalsContact C-N 3.34Å; S104-L106 PolarHBondContact O-N 2.97Å; S104-T107 PolarHBondContact O-N 3.07Å; S104-D108 PolarHBondContact O-N 3.38Å |
| 105 | W | 92.2 | Very high | 92.5 | Very high | 3 Ų | 3 | 58.6 Ų | 58.6 | 1% | 0.011 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.4 | -39.8 | 178.1 | -73.1 | 113.9 | 0 | 0 | 0 | 112.5 | I17 G18 D19 R74 M89 H101 L102 D108 A109 | I17-W105 HydrophobicContact CB-CE3 4.08Å; I17-W105 HydrophobicContact CB-CZ3 4.44Å; I17-W105 HydrophobicContact CD1-CB 4.33Å; G18-W105 WeakPolarHBondContact O-CZ2 3.44Å; D19-W105 PolarHBondContact OD1-NE1 3.23Å; R74-W105 HydrophobicContact CG-CH2 4.19Å; R74-W105 HydrophobicContact CG-CZ3 4.44Å; R74-W105 VanDerWaalsContact NH2-CE2 3.32Å; M89-W105 HydrophobicContact CG-CB 4.27Å; M89-W105 HydrophobicContact SD-CB 3.77Å; H101-W105 VanDerWaalsContact O-CD1 3.26Å; H101-W105 PolarHBondContact O-N 3.22Å; H101-W105 VanDerWaalsContact O-N 3.16Å; L102-W105 PolarHBondContact O-N 2.81Å; W105-D108 PolarHBondContact O-N 3.17Å; W105-A109 WeakPolarHBondContact O-CB 3.22Å; W105-A109 PolarHBondContact O-N 3.28Å |
| 106 | L | 93.6 | Very high | 92 | Very high | 6 Ų | 6 | 57.4 Ų | 57.4 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.2 | -42.3 | 176.5 | 179.3 | 60.7 | 0 | 0 | 0 | 111.6 | M89 L102 S104 A109 R110 I119 F142 N146 L148 | M89-L106 HydrophobicContact CE-CB 4.23Å; M89-L106 HydrophobicContact CE-CD1 4.44Å; M89-L106 HydrophobicContact SD-CB 4.06Å; L102-L106 VanDerWaalsContact O-CB 3.3Å; L102-L106 WeakPolarHBondContact O-CB 3.4Å; L102-L106 PolarHBondContact O-N 2.92Å; S104-L106 VanDerWaalsContact C-N 3.34Å; S104-L106 PolarHBondContact O-N 2.97Å; L106-A109 PolarHBondContact O-N 2.83Å; L106-R110 HydrophobicContact CD1-CG 4.19Å; L106-R110 WeakPolarHBondContact O-CB 3.5Å; L106-R110 WeakPolarHBondContact O-CG 3.34Å; L106-R110 PolarHBondContact O-N 3.39Å; L106-I119 HydrophobicContact CD1-CD1 3.77Å; L106-F142 HydrophobicContact CD2-CZ 4.22Å; L106-N146 HydrophobicContact CD2-CB 3.78Å; L106-N146 WeakPolarHBondContact CD2-OD1 2.9Å; L106-L148 HydrophobicContact CD1-CD1 4.34Å; L106-L148 HydrophobicContact CD1-CD2 3.75Å; L106-L148 HydrophobicContact CD2-CD1 4.39Å |
| 107 | T | 92.5 | Very high | 91.9 | Very high | 75 Ų | 75 | 53.9 Ų | 53.9 | 46% | 0.46 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.8 | -46.7 | 176.3 | -60.2 | 0 | 0 | 0 | 0 | 110.7 | S103 S104 R110 N111 | S103-T107 WeakPolarHBondContact O-CB 3.38Å; S103-T107 PolarHBondContact O-N 2.86Å; S103-T107 PolarHBondContact O-OG1 2.91Å; S104-T107 PolarHBondContact O-N 3.07Å; T107-R110 PolarHBondContact O-N 3.22Å; T107-N111 WeakPolarHBondContact CG2-ND2 3.47Å; T107-N111 WeakPolarHBondContact O-CB 3.45Å; T107-N111 PolarHBondContact O-N 3.06Å; T107-N111 PolarHBondContact O-ND2 3Å; T107-N111 VanDerWaalsContact O-ND2 3.16Å |
| 108 | D | 89.1 | Confident | 91.9 | Very high | 33 Ų | 33 | 51.8 Ų | 51.8 | 18% | 0.176 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 176.4 | -75.8 | -20 | 0 | 0 | 0 | 111.5 | R74 S104 W105 R110 N111 L112 | R74-D108 IonicContact CZ-OD2 2.76Å; R74-D108 IonicContact NE-OD2 3.72Å; R74-D108 IonicContact NH1-OD2 3.61Å; S104-D108 PolarHBondContact O-N 3.38Å; W105-D108 PolarHBondContact O-N 3.17Å; D108-R110 PolarHBondContact O-N 3.45Å; D108-N111 PolarHBondContact O-N 3.15Å; D108-L112 HydrophobicContact CB-CD1 4.29Å; D108-L112 VanDerWaalsContact O-CB 3.24Å; D108-L112 WeakPolarHBondContact O-CB 3.44Å; D108-L112 WeakPolarHBondContact O-CD1 3.44Å; D108-L112 WeakPolarHBondContact O-CG 3.44Å; D108-L112 PolarHBondContact O-N 2.84Å |
| 109 | A | 90.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.6 | -48.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | I17 Y81 W105 L106 N111 L112 T113 I119 | I17-A109 HydrophobicContact CD1-CB 3.83Å; Y81-A109 HydrophobicContact CE1-CB 4.16Å; W105-A109 WeakPolarHBondContact O-CB 3.22Å; W105-A109 PolarHBondContact O-N 3.28Å; L106-A109 PolarHBondContact O-N 2.83Å; A109-N111 VanDerWaalsContact C-N 3.34Å; A109-N111 PolarHBondContact O-N 2.89Å; A109-L112 PolarHBondContact O-N 3.14Å; A109-T113 VanDerWaalsContact O-CB 3.29Å; A109-T113 WeakPolarHBondContact O-CB 3.25Å; A109-T113 VanDerWaalsContact O-CG2 3.25Å; A109-T113 WeakPolarHBondContact O-CG2 3.25Å; A109-T113 PolarHBondContact O-N 3.1Å; A109-T113 PolarHBondContact O-OG1 2.87Å; A109-I119 HydrophobicContact CB-CD1 4.08Å |
| 110 | R | 91.6 | Very high | 91.9 | Very high | 125 Ų | 125 | 51 Ų | 51 | 47% | 0.472 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66 | -34.4 | 179.3 | -73.6 | -179.2 | 172.6 | 172.1 | -0.3 | 113 | L106 T107 D108 I119 N146 | L106-R110 HydrophobicContact CD1-CG 4.19Å; L106-R110 WeakPolarHBondContact O-CB 3.5Å; L106-R110 WeakPolarHBondContact O-CG 3.34Å; L106-R110 PolarHBondContact O-N 3.39Å; T107-R110 PolarHBondContact O-N 3.22Å; D108-R110 PolarHBondContact O-N 3.45Å; R110-I119 HydrophobicContact CG-CD1 4.31Å; R110-N146 PolarHBondContact NH2-O 2.91Å |
| 111 | N | 90 | Very high | 92.1 | Very high | 123 Ų | 123 | 46.4 Ų | 46.4 | 66% | 0.658 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -79.2 | -27.2 | -179.2 | -71.8 | -23.5 | 0 | 0 | 0 | 113.6 | T107 D108 A109 | T107-N111 WeakPolarHBondContact CG2-ND2 3.47Å; T107-N111 WeakPolarHBondContact O-CB 3.45Å; T107-N111 PolarHBondContact O-N 3.06Å; T107-N111 PolarHBondContact O-ND2 3Å; T107-N111 VanDerWaalsContact O-ND2 3.16Å; D108-N111 PolarHBondContact O-N 3.15Å; A109-N111 VanDerWaalsContact C-N 3.34Å; A109-N111 PolarHBondContact O-N 2.89Å |
| 112 | L | 87.8 | Confident | 92.3 | Very high | 52 Ų | 52 | 42.2 Ų | 42.2 | 27% | 0.272 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -107 | -14.1 | -171.9 | -59.9 | 171.6 | 0 | 0 | 0 | 113.7 | R78 Y81 D108 A109 | R78-L112 HydrophobicContact CB-CD1 4.36Å; R78-L112 HydrophobicContact CG-CD1 3.81Å; R78-L112 HydrophobicContact CG-CD2 4.38Å; Y81-L112 WeakPolarHBondContact CB-O 3.41Å; Y81-L112 HydrophobicContact CD1-CB 3.99Å; Y81-L112 HydrophobicContact CD1-CD1 4.47Å; Y81-L112 HydrophobicContact CD2-CB 4.26Å; Y81-L112 HydrophobicContact CD2-CD1 3.86Å; Y81-L112 HydrophobicContact CE2-CD1 3.98Å; Y81-L112 HydrophobicContact CG-CB 3.7Å; Y81-L112 HydrophobicContact CG-CD1 4.11Å; D108-L112 HydrophobicContact CB-CD1 4.29Å; D108-L112 VanDerWaalsContact O-CB 3.24Å; D108-L112 WeakPolarHBondContact O-CB 3.44Å; D108-L112 WeakPolarHBondContact O-CD1 3.44Å; D108-L112 WeakPolarHBondContact O-CG 3.44Å; D108-L112 PolarHBondContact O-N 2.84Å; A109-L112 PolarHBondContact O-N 3.14Å |
| 113 | T | 88.5 | Confident | 92.4 | Very high | 15 Ų | 15 | 42.2 Ų | 42.2 | 9% | 0.092 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -104.9 | 177.7 | 176.3 | 68.8 | 0 | 0 | 0 | 0 | 111.8 | I15 Y81 A84 A109 T117 | I15-T113 HydrophobicContact CD1-CG2 4.2Å; Y81-T113 HydrophobicContact CD1-CG2 3.61Å; Y81-T113 HydrophobicContact CG-CG2 4.26Å; A84-T113 HydrophobicContact CB-CG2 4.37Å; A109-T113 VanDerWaalsContact O-CB 3.29Å; A109-T113 WeakPolarHBondContact O-CB 3.25Å; A109-T113 VanDerWaalsContact O-CG2 3.25Å; A109-T113 WeakPolarHBondContact O-CG2 3.25Å; A109-T113 PolarHBondContact O-N 3.1Å; A109-T113 PolarHBondContact O-OG1 2.87Å; T113-T117 VanDerWaalsContact CB-OG1 3.25Å; T113-T117 WeakPolarHBondContact CB-OG1 3.42Å; T113-T117 HydrophobicContact CG2-CG2 4.3Å; T113-T117 WeakPolarHBondContact OG1-CB 3.36Å; T113-T117 PolarHBondContact OG1-OG1 3.09Å |
| 114 | N | 86.9 | Confident | 92.6 | Very high | 93 Ų | 93 | 39.2 Ų | 39.2 | 50% | 0.497 | 22% | 0.215 | S | C | . | . | trans | -71.8 | 148.8 | 172.7 | -69.5 | -27.5 | 0 | 0 | 0 | 110.1 | N116 T117 | N114-N116 PolarHBondContact O-N 2.76Å; N114-N116 VanDerWaalsContact O-N 3.07Å; N114-T117 PolarHBondContact N-OG1 3.02Å; N114-T117 VanDerWaalsContact O-CB 3.25Å; N114-T117 WeakPolarHBondContact O-CB 3.43Å; N114-T117 PolarHBondContact O-N 3.41Å; N114-T117 PolarHBondContact O-OG1 3.46Å | ||
| 115 | P | 85.3 | Confident | 92.8 | Very high | 127 Ų | 127 | 39 Ų | 39 | 83% | 0.825 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -28.2 | 176.7 | -27.5 | 35.4 | 0 | 0 | 0 | 114.3 | T117 | P115-T117 VanDerWaalsContact C-N 3.3Å; P115-T117 PolarHBondContact O-N 2.84Å |
| 116 | N | 87.3 | Confident | 93.1 | Very high | 77 Ų | 77 | 39.7 Ų | 39.7 | 41% | 0.412 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 7.5 | -179 | -53.5 | -24.6 | 0 | 0 | 0 | 113.4 | N114 V118 S180 L181 | N114-N116 PolarHBondContact O-N 2.76Å; N114-N116 VanDerWaalsContact O-N 3.07Å; N116-V118 PolarHBondContact O-N 3.45Å; N116-S180 VanDerWaalsContact CG-O 3.24Å; N116-S180 PolarHBondContact ND2-O 2.96Å; N116-L181 HydrophobicContact CB-CD1 4.35Å; N116-L181 HydrophobicContact CB-CD2 4.46Å; N116-L181 HydrophobicContact CB-CG 3.8Å |
| 117 | T | 93.6 | Very high | 93.2 | Very high | 16 Ų | 16 | 41.8 Ų | 41.8 | 10% | 0.098 | 23% | 0.225 | C | C | . | . | trans | -65.3 | 126.1 | 178.5 | -55 | 0 | 0 | 0 | 0 | 109.5 | A84 A87 T113 N114 P115 I119 | A84-T117 PolarHBondContact O-OG1 3.14Å; A87-T117 HydrophobicContact CB-CG2 4.38Å; T113-T117 VanDerWaalsContact CB-OG1 3.25Å; T113-T117 WeakPolarHBondContact CB-OG1 3.42Å; T113-T117 HydrophobicContact CG2-CG2 4.3Å; T113-T117 WeakPolarHBondContact OG1-CB 3.36Å; T113-T117 PolarHBondContact OG1-OG1 3.09Å; N114-T117 PolarHBondContact N-OG1 3.02Å; N114-T117 VanDerWaalsContact O-CB 3.25Å; N114-T117 WeakPolarHBondContact O-CB 3.43Å; N114-T117 PolarHBondContact O-N 3.41Å; N114-T117 PolarHBondContact O-OG1 3.46Å; P115-T117 VanDerWaalsContact C-N 3.3Å; P115-T117 PolarHBondContact O-N 2.84Å; T117-I119 PolarHBondContact O-N 3.42Å | ||
| 118 | V | 96.3 | Very high | 93.4 | Very high | 11 Ų | 11 | 40.5 Ų | 40.5 | 7% | 0.067 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 124 | 176.1 | 174.4 | 0 | 0 | 0 | 0 | 109.1 | A85 G86 A87 N116 L149 K171 I172 | A85-V118 PolarHBondContact O-N 2.87Å; G86-V118 CarbonylContact C-O 3.53Å; G86-V118 WeakPolarHBondContact CA-O 3.49Å; A87-V118 PolarHBondContact N-O 3.33Å; N116-V118 PolarHBondContact O-N 3.45Å; V118-L149 HydrophobicContact CG1-CD1 3.8Å; V118-L149 HydrophobicContact CG1-CG 4.48Å; V118-K171 HydrophobicContact CG1-CB 4.03Å; V118-K171 HydrophobicContact CG1-CG 3.9Å; V118-K171 HydrophobicContact CG2-CB 4.32Å; V118-K171 HydrophobicContact CG2-CG 3.82Å; V118-I172 HydrophobicContact CB-CD1 4.22Å; V118-I172 HydrophobicContact CB-CG1 3.65Å; V118-I172 HydrophobicContact CG1-CG1 4.48Å; V118-I172 HydrophobicContact CG2-CB 4.47Å; V118-I172 HydrophobicContact CG2-CG1 3.47Å; V118-I172 VanDerWaalsContact CG2-CG1 3.47Å |
| 119 | I | 96.9 | Very high | 93.7 | Very high | 15 Ų | 15 | 44 Ų | 44 | 8% | 0.077 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 130.5 | 179 | -51.9 | -179.9 | 0 | 0 | 0 | 108.9 | A87 M89 L106 A109 R110 T117 L148 L149 | A87-I119 HydrophobicContact CB-CG1 4.27Å; A87-I119 HydrophobicContact CB-CG2 4.49Å; A87-I119 WeakPolarHBondContact O-CA 3.44Å; M89-I119 HydrophobicContact CB-CG2 4.34Å; M89-I119 HydrophobicContact CE-CG2 4.5Å; L106-I119 HydrophobicContact CD1-CD1 3.77Å; A109-I119 HydrophobicContact CB-CD1 4.08Å; R110-I119 HydrophobicContact CG-CD1 4.31Å; T117-I119 PolarHBondContact O-N 3.42Å; I119-L148 HydrophobicContact CB-CD2 3.86Å; I119-L148 HydrophobicContact CD1-CD2 4.47Å; I119-L148 HydrophobicContact CG2-CD2 3.98Å; I119-L149 PolarHBondContact O-N 2.78Å |
| 120 | I | 98.1 | Very high | 94 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 124.2 | 174.5 | -170.2 | 159.7 | 0 | 0 | 0 | 109.9 | A87 L88 M89 I122 L149 L151 A164 E167 A168 | A87-I120 PolarHBondContact O-N 3.25Å; L88-I120 HydrophobicContact CB-CG2 4.23Å; L88-I120 HydrophobicContact CD1-CG2 4.5Å; L88-I120 HydrophobicContact CG-CG2 3.74Å; M89-I120 PolarHBondContact N-O 3.35Å; I120-I122 HydrophobicContact CG1-CG1 4.36Å; I120-I122 HydrophobicContact CG2-CD1 4.32Å; I120-I122 HydrophobicContact CG2-CG1 4.44Å; I120-L149 CarbonylContact C-O 3.58Å; I120-L149 WeakPolarHBondContact CA-O 3.22Å; I120-L149 HydrophobicContact CB-CB 3.9Å; I120-L149 HydrophobicContact CD1-CB 3.85Å; I120-L149 HydrophobicContact CD1-CD1 4.22Å; I120-L149 HydrophobicContact CG1-CB 3.61Å; I120-L151 HydrophobicContact CD1-CD2 3.21Å; I120-L151 HydrophobicContact CG1-CD2 3.67Å; I120-A164 WeakPolarHBondContact CD1-O 3.38Å; I120-E167 HydrophobicContact CD1-CB 4.3Å; I120-A168 HydrophobicContact CG2-CB 4.26Å |
| 121 | L | 98.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 129 | 172.2 | 177.8 | 66.9 | 0 | 0 | 0 | 109.1 | M89 Y91 L102 F142 A143 L148 L149 F150 L151 | M89-L121 HydrophobicContact CE-CD1 3.97Å; M89-L121 CarbonylContact O-C 3.6Å; M89-L121 WeakPolarHBondContact O-CA 3.11Å; Y91-L121 HydrophobicContact CD1-CD1 3.69Å; Y91-L121 HydrophobicContact CD1-CG 4.3Å; Y91-L121 HydrophobicContact CE1-CD1 3.92Å; Y91-L121 HydrophobicContact CE1-CD2 4.32Å; Y91-L121 HydrophobicContact CE1-CG 4.03Å; L102-L121 HydrophobicContact CD1-CD1 3.6Å; L102-L121 HydrophobicContact CD1-CD2 4.44Å; L102-L121 HydrophobicContact CD2-CD1 3.58Å; L102-L121 HydrophobicContact CG-CD1 4.23Å; L121-F142 HydrophobicContact CD2-CD1 3.95Å; L121-A143 HydrophobicContact CB-CB 4.48Å; L121-A143 HydrophobicContact CD2-CB 4.03Å; L121-L148 HydrophobicContact CB-CD1 4.38Å; L121-L149 PolarHBondContact N-O 2.88Å; L121-F150 HydrophobicContact CB-CD2 3.99Å; L121-F150 HydrophobicContact CD2-CD2 3.71Å; L121-F150 HydrophobicContact CD2-CE2 4.05Å; L121-F150 HydrophobicContact CG-CD2 3.75Å; L121-F150 HydrophobicContact CG-CE2 4.16Å; L121-F150 WeakPolarHBondContact O-CA 3.48Å; L121-F150 WeakPolarHBondContact O-CD2 3.13Å; L121-L151 PolarHBondContact O-N 3.08Å; L121-L151 VanDerWaalsContact O-N 3.14Å |
| 122 | I | 98.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 113.9 | -178.6 | -56.3 | 173.1 | 0 | 0 | 0 | 109.2 | L27 L88 M89 V90 Y91 I120 N124 L151 A153 A164 | L27-I122 HydrophobicContact CD1-CG2 4.25Å; L88-I122 HydrophobicContact CB-CD1 4Å; L88-I122 HydrophobicContact CD2-CD1 3.71Å; L88-I122 HydrophobicContact CG-CD1 4.02Å; M89-I122 PolarHBondContact O-N 2.94Å; V90-I122 WeakPolarHBondContact CA-O 3.34Å; V90-I122 HydrophobicContact CG2-CB 4.36Å; V90-I122 HydrophobicContact CG2-CD1 4.46Å; Y91-I122 WeakPolarHBondContact CD1-O 3.48Å; Y91-I122 PolarHBondContact N-O 3.18Å; I120-I122 HydrophobicContact CG1-CG1 4.36Å; I120-I122 HydrophobicContact CG2-CD1 4.32Å; I120-I122 HydrophobicContact CG2-CG1 4.44Å; I122-N124 PolarHBondContact O-N 3.09Å; I122-L151 WeakPolarHBondContact CA-O 3.25Å; I122-L151 HydrophobicContact CG1-CD2 4.36Å; I122-L151 HydrophobicContact CG1-CG 4.35Å; I122-L151 HydrophobicContact CG2-CD1 4.37Å; I122-A153 HydrophobicContact CG2-CB 3.93Å; I122-A164 HydrophobicContact CD1-CB 3.76Å; I122-A164 HydrophobicContact CG1-CB 4.35Å |
| 123 | G | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 98.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | L151 E152 A153 | G123-L151 PolarHBondContact N-O 3.06Å; G123-E152 CarbonylContact O-C 3.49Å; G123-E152 WeakPolarHBondContact O-CA 3.33Å; G123-A153 PolarHBondContact O-N 2.87Å |
| 124 | N | 97.9 | Very high | 95.6 | Very high | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 163.3 | -178.3 | -167.6 | 31.1 | 0 | 0 | 0 | 111.7 | V22 L27 V90 Y91 I93 I122 A153 A155 | V22-N124 PolarHBondContact O-ND2 3.1Å; L27-N124 HydrophobicContact CD1-CB 4.4Å; V90-N124 HydrophobicContact CG1-CB 3.76Å; Y91-N124 PolarHBondContact O-N 3.1Å; I93-N124 PolarHBondContact N-O 3.38Å; I93-N124 VanDerWaalsContact N-O 3.14Å; I122-N124 PolarHBondContact O-N 3.09Å; N124-A153 CarbonylContact C-O 3.55Å; N124-A153 VanDerWaalsContact CA-O 3.27Å; N124-A153 WeakPolarHBondContact CA-O 3.43Å; N124-A153 PolarHBondContact OD1-O 3.01Å; N124-A155 PolarHBondContact OD1-N 2.68Å; N124-A155 VanDerWaalsContact OD1-N 3.1Å |
| 125 | K | 96.9 | Very high | 96.1 | Very high | 43 Ų | 43 | 45.3 Ų | 45.3 | 19% | 0.187 | 26% | 0.256 | C | S | . | . | trans | 70.3 | 34.8 | -177.5 | -44.1 | -170.7 | -165.1 | 171 | 0 | 113.6 | G21 D92 I93 D127 L128 A153 | G21-K125 PolarHBondContact O-NZ 3.02Å; D92-K125 WeakPolarHBondContact OD1-CD 3.39Å; D92-K125 IonicContact OD1-NZ 3.73Å; D92-K125 VanDerWaalsContact OD2-CE 3.29Å; D92-K125 WeakPolarHBondContact OD2-CE 3.45Å; D92-K125 IonicContact OD2-NZ 3.97Å; D92-K125 PolarHBondContact OD2-NZ 2.71Å; I93-K125 WeakPolarHBondContact CD1-O 3.2Å; K125-D127 PolarHBondContact O-N 3.42Å; K125-L128 HydrophobicContact CB-CD1 4.13Å; K125-L128 HydrophobicContact CB-CG 4.36Å; K125-L128 HydrophobicContact CD-CD1 4.15Å; K125-L128 WeakPolarHBondContact O-CB 3.24Å; K125-L128 PolarHBondContact O-N 2.87Å; K125-A153 PolarHBondContact N-O 3.15Å | ||
| 126 | A | 97 | Very high | 96.7 | Very high | 17 Ų | 17 | 43.4 Ų | 43.4 | 14% | 0.14 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -54.2 | -22.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L128 E152 A153 | A126-L128 PolarHBondContact O-N 2.71Å; A126-E152 HydrophobicContact CB-CB 4.32Å; A126-A153 WeakPolarHBondContact CB-O 3.34Å; A126-A153 PolarHBondContact N-O 2.83Å; A126-A153 VanDerWaalsContact N-O 3.08Å |
| 127 | D | 96.7 | Very high | 97.2 | Very high | 51 Ų | 51 | 46 Ų | 46 | 27% | 0.273 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -65.6 | -14.1 | 172.7 | 63.3 | -78.1 | 0 | 0 | 0 | 114.3 | K125 S154 K156 T157 | K125-D127 PolarHBondContact O-N 3.42Å; D127-S154 WeakPolarHBondContact OD1-CB 3.38Å; D127-S154 PolarHBondContact OD1-OG 2.96Å; D127-K156 WeakPolarHBondContact OD2-CD 3.46Å; D127-K156 IonicContact OD2-NZ 3.09Å; D127-K156 PolarHBondContact OD2-NZ 2.88Å; D127-T157 HydrophobicContact CB-CG2 3.92Å |
| 128 | L | 95.9 | Very high | 97.3 | Very high | 48 Ų | 48 | 47.1 Ų | 47.1 | 25% | 0.251 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -102.3 | 38.9 | -179.8 | -57.9 | -178.1 | 0 | 0 | 0 | 112.5 | T94 K125 A126 A130 Q131 | T94-L128 HydrophobicContact CG2-CB 3.54Å; T94-L128 HydrophobicContact CG2-CD1 3.96Å; T94-L128 HydrophobicContact CG2-CG 4.41Å; K125-L128 HydrophobicContact CB-CD1 4.13Å; K125-L128 HydrophobicContact CB-CG 4.36Å; K125-L128 HydrophobicContact CD-CD1 4.15Å; K125-L128 WeakPolarHBondContact O-CB 3.24Å; K125-L128 PolarHBondContact O-N 2.87Å; A126-L128 PolarHBondContact O-N 2.71Å; L128-A130 PolarHBondContact O-N 3.16Å; L128-A130 VanDerWaalsContact O-N 3.11Å; L128-Q131 PolarHBondContact O-N 3.02Å |
| 129 | E | 95.6 | Very high | 97.4 | Very high | 106 Ų | 106 | 46.6 Ų | 46.6 | 50% | 0.495 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -50.4 | -39.2 | -177.9 | -172.7 | 58.2 | -149.8 | 0 | 0 | 113.6 | Q131 R132 | E129-Q131 PolarHBondContact O-N 3.44Å; E129-Q131 VanDerWaalsContact O-N 3.09Å; E129-R132 VanDerWaalsContact CD-NE 3.26Å; E129-R132 VanDerWaalsContact O-CB 3.24Å; E129-R132 WeakPolarHBondContact O-CB 3.33Å; E129-R132 PolarHBondContact O-N 3.43Å; E129-R132 VanDerWaalsContact O-N 3.1Å; E129-R132 IonicContact OE1-CZ 2.71Å; E129-R132 IonicContact OE1-NE 3.26Å; E129-R132 PolarHBondContact OE1-NE 2.98Å; E129-R132 IonicContact OE1-NH2 3.09Å; E129-R132 IonicContact OE2-CZ 3.52Å; E129-R132 VanDerWaalsContact OE2-CZ 3.26Å; E129-R132 IonicContact OE2-NE 3.02Å; E129-R132 PolarHBondContact OE2-NE 2.93Å; E129-R132 IonicContact OE2-NH2 3.14Å; E129-R132 PolarHBondContact OE2-NH2 2.84Å |
| 130 | A | 96.8 | Very high | 97.5 | Very high | 109 Ų | 109 | 49.9 Ų | 49.9 | 90% | 0.901 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -64.7 | -14 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L128 | L128-A130 PolarHBondContact O-N 3.16Å; L128-A130 VanDerWaalsContact O-N 3.11Å |
| 131 | Q | 96.9 | Very high | 97.5 | Very high | 123 Ų | 123 | 55 Ų | 55 | 58% | 0.575 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -112.5 | 13.8 | 179.4 | -60.5 | 176.1 | 40.7 | 0 | 0 | 111.9 | T94 L128 E129 D133 | T94-Q131 WeakPolarHBondContact CA-O 3.49Å; T94-Q131 VanDerWaalsContact CB-O 3.29Å; T94-Q131 WeakPolarHBondContact CB-O 3.06Å; T94-Q131 HydrophobicContact CG2-CB 3.89Å; L128-Q131 PolarHBondContact O-N 3.02Å; E129-Q131 PolarHBondContact O-N 3.44Å; E129-Q131 VanDerWaalsContact O-N 3.09Å; Q131-D133 PolarHBondContact O-N 3.45Å |
| 132 | R | 97.9 | Very high | 97.4 | Very high | 58 Ų | 58 | 56.1 Ų | 56.1 | 22% | 0.219 | 29% | 0.286 | C | S | . | . | trans | -59.5 | 129.3 | -177.8 | -179.3 | -179.6 | -72.3 | -86 | 4.9 | 111.5 | E129 V134 E152 | E129-R132 VanDerWaalsContact CD-NE 3.26Å; E129-R132 VanDerWaalsContact O-CB 3.24Å; E129-R132 WeakPolarHBondContact O-CB 3.33Å; E129-R132 PolarHBondContact O-N 3.43Å; E129-R132 VanDerWaalsContact O-N 3.1Å; E129-R132 IonicContact OE1-CZ 2.71Å; E129-R132 IonicContact OE1-NE 3.26Å; E129-R132 PolarHBondContact OE1-NE 2.98Å; E129-R132 IonicContact OE1-NH2 3.09Å; E129-R132 IonicContact OE2-CZ 3.52Å; E129-R132 VanDerWaalsContact OE2-CZ 3.26Å; E129-R132 IonicContact OE2-NE 3.02Å; E129-R132 PolarHBondContact OE2-NE 2.93Å; E129-R132 IonicContact OE2-NH2 3.14Å; E129-R132 PolarHBondContact OE2-NH2 2.84Å; R132-V134 WeakPolarHBondContact CD-O 3.4Å; R132-V134 WeakPolarHBondContact CG-O 3.49Å; R132-V134 PolarHBondContact NH1-O 3.15Å; R132-E152 IonicContact CZ-OE1 3.47Å; R132-E152 IonicContact CZ-OE2 3.79Å; R132-E152 IonicContact NH1-OE1 2.7Å; R132-E152 PolarHBondContact NH1-OE1 2.7Å; R132-E152 IonicContact NH1-OE2 2.71Å; R132-E152 PolarHBondContact NH1-OE2 2.98Å; R132-E152 IonicContact NH2-OE1 3.9Å; R132-E152 IonicContact NH2-OE2 2.88Å; R132-E152 PolarHBondContact NH2-OE2 3.37Å | ||
| 133 | D | 97.7 | Very high | 97.4 | Very high | 84 Ų | 84 | 56.1 Ų | 56.1 | 45% | 0.449 | 29% | 0.286 | S | S | . | . | trans | -121.3 | -10.9 | 178.4 | -166.3 | 22.1 | 0 | 0 | 0 | 111.5 | I93 R96 Q131 | I93-D133 PolarHBondContact O-N 3.24Å; R96-D133 WeakPolarHBondContact CB-OD2 3.4Å; R96-D133 PolarHBondContact N-OD2 3.21Å; R96-D133 PolarHBondContact NH1-O 2.7Å; Q131-D133 PolarHBondContact O-N 3.45Å | ||
| 134 | V | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -125.2 | 118.2 | 174.4 | -174.4 | 0 | 0 | 0 | 0 | 108.5 | Y91 I93 Y99 R132 E138 A139 | Y91-V134 HydrophobicContact CD2-CG2 4.47Å; Y91-V134 HydrophobicContact CE2-CB 3.93Å; Y91-V134 HydrophobicContact CE2-CG1 3.72Å; Y91-V134 HydrophobicContact CE2-CG2 4.25Å; I93-V134 PolarHBondContact O-N 3.11Å; I93-V134 VanDerWaalsContact O-N 3.08Å; Y99-V134 HydrophobicContact CD1-CG1 4.35Å; Y99-V134 HydrophobicContact CD2-CG1 3.65Å; Y99-V134 HydrophobicContact CE2-CG1 4.04Å; Y99-V134 HydrophobicContact CG-CG1 3.84Å; Y99-V134 HydrophobicContact CG-CG2 4.06Å; R132-V134 WeakPolarHBondContact CD-O 3.4Å; R132-V134 WeakPolarHBondContact CG-O 3.49Å; R132-V134 PolarHBondContact NH1-O 3.15Å; V134-E138 WeakPolarHBondContact CA-OE1 3.42Å; V134-E138 HydrophobicContact CG1-CG 3.84Å; V134-A139 HydrophobicContact CG1-CB 4.28Å |
| 135 | T | 97.9 | Very high | 97.3 | Very high | 61 Ų | 61 | 68.4 Ų | 68.4 | 37% | 0.374 | 34% | 0.343 | S | S | . | . | trans | -68.5 | 151.9 | 178 | 58.6 | 0 | 0 | 0 | 0 | 111.3 | E137 E138 A139 | T135-E137 VanDerWaalsContact C-N 3.26Å; T135-E137 PolarHBondContact O-N 2.89Å; T135-E138 PolarHBondContact N-OE1 3.46Å; T135-E138 WeakPolarHBondContact O-CG 3.43Å; T135-E138 WeakPolarHBondContact OG1-CB 3.34Å; T135-E138 WeakPolarHBondContact OG1-CG 3.46Å; T135-E138 PolarHBondContact OG1-N 3.35Å; T135-E138 PolarHBondContact OG1-OE1 3.14Å; T135-A139 PolarHBondContact O-N 2.87Å | ||
| 136 | Y | 97.6 | Very high | 97.3 | Very high | 88 Ų | 88 | 68.2 Ų | 68.2 | 35% | 0.345 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.2 | -40.9 | 175.3 | 177.9 | -91.3 | 0 | 0 | 0 | 110.4 | A139 K140 F150 E152 | Y136-A139 PolarHBondContact O-N 3.43Å; Y136-K140 HydrophobicContact CD1-CB 4.5Å; Y136-K140 HydrophobicContact CD1-CD 4.43Å; Y136-K140 HydrophobicContact CE1-CB 4.26Å; Y136-K140 HydrophobicContact CE1-CD 3.61Å; Y136-K140 VanDerWaalsContact O-CB 3.23Å; Y136-K140 WeakPolarHBondContact O-CB 3.49Å; Y136-K140 PolarHBondContact O-N 2.79Å; Y136-F150 AromaticContact CD2-CE1 3.68Å; Y136-F150 HydrophobicContact CD2-CE1 3.68Å; Y136-F150 HydrophobicContact CD2-CZ 4.06Å; Y136-F150 HydrophobicContact CE1-CE1 4.26Å; Y136-F150 HydrophobicContact CE2-CD1 4.13Å; Y136-F150 AromaticContact CE2-CE1 3.36Å; Y136-F150 HydrophobicContact CE2-CE1 3.36Å; Y136-F150 HydrophobicContact CE2-CZ 4.06Å; Y136-F150 HydrophobicContact CG-CE1 4.23Å; Y136-F150 AromaticContact CZ-CE1 3.67Å; Y136-E152 HydrophobicContact CD2-CG 3.85Å; Y136-E152 HydrophobicContact CE2-CG 4.21Å |
| 137 | E | 98 | Very high | 97.2 | Very high | 132 Ų | 132 | 70.9 Ų | 70.9 | 62% | 0.617 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -63.1 | -45.2 | -176.7 | -67.6 | 70.6 | -155.7 | 0 | 0 | 112.3 | T135 K140 Q141 | T135-E137 VanDerWaalsContact C-N 3.26Å; T135-E137 PolarHBondContact O-N 2.89Å; E137-K140 PolarHBondContact O-N 2.87Å; E137-Q141 WeakPolarHBondContact O-CB 3.46Å; E137-Q141 PolarHBondContact O-N 2.84Å |
| 138 | E | 97.2 | Very high | 97.2 | Very high | 38 Ų | 38 | 69.3 Ų | 69.3 | 18% | 0.178 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.9 | -38.9 | -179.2 | 77.8 | -171.1 | 119.9 | 0 | 0 | 111.9 | R96 Y99 V134 T135 Q141 F142 | R96-E138 IonicContact CZ-OE1 2.98Å; R96-E138 IonicContact CZ-OE2 3.89Å; R96-E138 VanDerWaalsContact NH1-CD 3.3Å; R96-E138 IonicContact NH1-OE1 3.96Å; R96-E138 PolarHBondContact NH1-OE1 2.64Å; R96-E138 IonicContact NH1-OE2 2.66Å; R96-E138 PolarHBondContact NH1-OE2 3.49Å; R96-E138 IonicContact NH2-OE2 3.96Å; R96-E138 PolarHBondContact NH2-OE2 2.91Å; Y99-E138 PolarHBondContact OH-O 3Å; V134-E138 WeakPolarHBondContact CA-OE1 3.42Å; V134-E138 HydrophobicContact CG1-CG 3.84Å; T135-E138 PolarHBondContact N-OE1 3.46Å; T135-E138 WeakPolarHBondContact O-CG 3.43Å; T135-E138 WeakPolarHBondContact OG1-CB 3.34Å; T135-E138 WeakPolarHBondContact OG1-CG 3.46Å; T135-E138 PolarHBondContact OG1-N 3.35Å; T135-E138 PolarHBondContact OG1-OE1 3.14Å; E138-Q141 PolarHBondContact O-N 2.7Å; E138-F142 WeakPolarHBondContact O-CB 3.38Å; E138-F142 PolarHBondContact O-N 2.88Å |
| 139 | A | 97.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -70.5 | -37.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y91 Y99 V134 T135 Y136 F142 A143 F150 | Y91-A139 HydrophobicContact CE1-CB 4.26Å; Y91-A139 WeakPolarHBondContact OH-CB 3.37Å; Y99-A139 HydrophobicContact CE2-CB 3.99Å; V134-A139 HydrophobicContact CG1-CB 4.28Å; T135-A139 PolarHBondContact O-N 2.87Å; Y136-A139 PolarHBondContact O-N 3.43Å; A139-F142 PolarHBondContact O-N 3Å; A139-A143 PolarHBondContact O-N 3.46Å; A139-F150 HydrophobicContact CB-CE1 4.41Å; A139-F150 HydrophobicContact CB-CE2 3.78Å; A139-F150 HydrophobicContact CB-CZ 3.6Å |
| 140 | K | 97.9 | Very high | 97.4 | Very high | 84 Ų | 84 | 66.3 Ų | 66.3 | 37% | 0.365 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.7 | -46.7 | 172.6 | -177.9 | 171.6 | 172.9 | -178.8 | 0 | 111.4 | Y136 E137 F142 A143 E144 F150 | Y136-K140 HydrophobicContact CD1-CB 4.5Å; Y136-K140 HydrophobicContact CD1-CD 4.43Å; Y136-K140 HydrophobicContact CE1-CB 4.26Å; Y136-K140 HydrophobicContact CE1-CD 3.61Å; Y136-K140 VanDerWaalsContact O-CB 3.23Å; Y136-K140 WeakPolarHBondContact O-CB 3.49Å; Y136-K140 PolarHBondContact O-N 2.79Å; E137-K140 PolarHBondContact O-N 2.87Å; K140-F142 VanDerWaalsContact C-N 3.33Å; K140-F142 PolarHBondContact O-N 2.55Å; K140-A143 WeakPolarHBondContact O-CB 3.49Å; K140-A143 PolarHBondContact O-N 3.2Å; K140-A143 VanDerWaalsContact O-N 3.15Å; K140-E144 WeakPolarHBondContact CE-OE1 3.25Å; K140-E144 HydrophobicContact CG-CG 4.48Å; K140-E144 WeakPolarHBondContact O-CG 3.24Å; K140-E144 PolarHBondContact O-N 2.98Å; K140-F150 HydrophobicContact CB-CD1 3.65Å; K140-F150 HydrophobicContact CB-CE1 3.67Å; K140-F150 HydrophobicContact CG-CD1 4.04Å; K140-F150 HydrophobicContact CG-CE1 4.48Å |
| 141 | Q | 98.2 | Very high | 97.5 | Very high | 108 Ų | 108 | 62.2 Ų | 62.2 | 51% | 0.505 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.4 | -45.8 | 177.2 | -177.8 | 179.2 | -9 | 0 | 0 | 111 | E137 E138 A143 E144 E145 | E137-Q141 WeakPolarHBondContact O-CB 3.46Å; E137-Q141 PolarHBondContact O-N 2.84Å; E138-Q141 PolarHBondContact O-N 2.7Å; Q141-A143 VanDerWaalsContact C-N 3.29Å; Q141-A143 PolarHBondContact O-N 3.48Å; Q141-E144 PolarHBondContact O-N 2.97Å; Q141-E145 HydrophobicContact CG-CG 4.35Å; Q141-E145 WeakPolarHBondContact CG-OE1 3.2Å; Q141-E145 PolarHBondContact NE2-OE1 3.29Å; Q141-E145 WeakPolarHBondContact O-CB 3.29Å; Q141-E145 WeakPolarHBondContact O-CG 3.13Å; Q141-E145 PolarHBondContact O-N 3.45Å |
| 142 | F | 97.9 | Very high | 97.5 | Very high | 24 Ų | 24 | 57.4 Ų | 57.4 | 11% | 0.105 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.7 | -41.8 | 175.6 | 175.8 | -88.9 | 0 | 0 | 0 | 112.3 | M89 Y99 L102 L106 L121 E138 A139 K140 N146 L148 | M89-F142 HydrophobicContact CE-CE1 4.28Å; Y99-F142 WeakPolarHBondContact OH-CB 3.38Å; L102-F142 HydrophobicContact CB-CE1 4.05Å; L102-F142 HydrophobicContact CB-CZ 3.95Å; L102-F142 HydrophobicContact CD1-CE1 4.37Å; L106-F142 HydrophobicContact CD2-CZ 4.22Å; L121-F142 HydrophobicContact CD2-CD1 3.95Å; E138-F142 WeakPolarHBondContact O-CB 3.38Å; E138-F142 PolarHBondContact O-N 2.88Å; A139-F142 PolarHBondContact O-N 3Å; K140-F142 VanDerWaalsContact C-N 3.33Å; K140-F142 PolarHBondContact O-N 2.55Å; F142-N146 WeakPolarHBondContact O-CB 3.4Å; F142-N146 PolarHBondContact O-N 3.49Å; F142-N146 PolarHBondContact O-ND2 2.85Å; F142-L148 HydrophobicContact CD1-CD1 4.43Å; F142-L148 HydrophobicContact CE1-CD1 4.02Å |
| 143 | A | 97.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.008 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.5 | -45.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L121 A139 K140 Q141 N146 G147 L148 F150 | L121-A143 HydrophobicContact CB-CB 4.48Å; L121-A143 HydrophobicContact CD2-CB 4.03Å; A139-A143 PolarHBondContact O-N 3.46Å; K140-A143 WeakPolarHBondContact O-CB 3.49Å; K140-A143 PolarHBondContact O-N 3.2Å; K140-A143 VanDerWaalsContact O-N 3.15Å; Q141-A143 VanDerWaalsContact C-N 3.29Å; Q141-A143 PolarHBondContact O-N 3.48Å; A143-N146 CarbonylContact O-C 3.56Å; A143-N146 PolarHBondContact O-N 3.27Å; A143-G147 PolarHBondContact O-N 3.13Å; A143-L148 HydrophobicContact CB-CB 4.06Å; A143-L148 PolarHBondContact O-N 2.99Å; A143-F150 HydrophobicContact CB-CB 3.59Å; A143-F150 HydrophobicContact CB-CG 4.17Å |
| 144 | E | 97.2 | Very high | 97.5 | Very high | 126 Ų | 126 | 50.6 Ų | 50.6 | 59% | 0.589 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -61.4 | -47.6 | 178.5 | -72.8 | 176.4 | 176.9 | 0 | 0 | 111.7 | K140 Q141 N146 G147 | K140-E144 WeakPolarHBondContact CE-OE1 3.25Å; K140-E144 HydrophobicContact CG-CG 4.48Å; K140-E144 WeakPolarHBondContact O-CG 3.24Å; K140-E144 PolarHBondContact O-N 2.98Å; Q141-E144 PolarHBondContact O-N 2.97Å; E144-N146 PolarHBondContact O-N 3.18Å; E144-G147 PolarHBondContact O-N 3.36Å; E144-G147 VanDerWaalsContact O-N 3.1Å |
| 145 | E | 97.3 | Very high | 97.3 | Very high | 135 Ų | 135 | 50.8 Ų | 50.8 | 63% | 0.631 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -60.2 | -28.1 | 177.4 | -73 | 175.9 | -178 | 0 | 0 | 112.8 | Q141 | Q141-E145 HydrophobicContact CG-CG 4.35Å; Q141-E145 WeakPolarHBondContact CG-OE1 3.2Å; Q141-E145 PolarHBondContact NE2-OE1 3.29Å; Q141-E145 WeakPolarHBondContact O-CB 3.29Å; Q141-E145 WeakPolarHBondContact O-CG 3.13Å; Q141-E145 PolarHBondContact O-N 3.45Å |
| 146 | N | 95.9 | Very high | 97.1 | Very high | 40 Ų | 40 | 53.3 Ų | 53.3 | 21% | 0.214 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 5.6 | -180 | -72 | -79.5 | 0 | 0 | 0 | 113.7 | L106 R110 F142 A143 E144 L148 | L106-N146 HydrophobicContact CD2-CB 3.78Å; L106-N146 WeakPolarHBondContact CD2-OD1 2.9Å; R110-N146 PolarHBondContact NH2-O 2.91Å; F142-N146 WeakPolarHBondContact O-CB 3.4Å; F142-N146 PolarHBondContact O-N 3.49Å; F142-N146 PolarHBondContact O-ND2 2.85Å; A143-N146 CarbonylContact O-C 3.56Å; A143-N146 PolarHBondContact O-N 3.27Å; E144-N146 PolarHBondContact O-N 3.18Å; N146-L148 VanDerWaalsContact C-N 3.29Å; N146-L148 HydrophobicContact CB-CD1 3.99Å; N146-L148 HydrophobicContact CB-CD2 4.15Å; N146-L148 HydrophobicContact CB-CG 3.74Å; N146-L148 WeakPolarHBondContact O-CD2 3.28Å; N146-L148 PolarHBondContact O-N 2.82Å |
| 147 | G | 95.3 | Very high | 96.9 | Very high | 72 Ų | 72 | 53 Ų | 53 | 74% | 0.742 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 35.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | A143 E144 | A143-G147 PolarHBondContact O-N 3.13Å; E144-G147 PolarHBondContact O-N 3.36Å; E144-G147 VanDerWaalsContact O-N 3.1Å |
| 148 | L | 97.1 | Very high | 96.7 | Very high | 18 Ų | 18 | 47.9 Ų | 47.9 | 9% | 0.094 | 26% | 0.256 | C | S | . | . | trans | -97.4 | 150.7 | 178.6 | -42.1 | 178.7 | 0 | 0 | 0 | 109.9 | M89 L106 I119 L121 F142 A143 N146 | M89-L148 HydrophobicContact CE-CD1 3.62Å; L106-L148 HydrophobicContact CD1-CD1 4.34Å; L106-L148 HydrophobicContact CD1-CD2 3.75Å; L106-L148 HydrophobicContact CD2-CD1 4.39Å; I119-L148 HydrophobicContact CB-CD2 3.86Å; I119-L148 HydrophobicContact CD1-CD2 4.47Å; I119-L148 HydrophobicContact CG2-CD2 3.98Å; L121-L148 HydrophobicContact CB-CD1 4.38Å; F142-L148 HydrophobicContact CD1-CD1 4.43Å; F142-L148 HydrophobicContact CE1-CD1 4.02Å; A143-L148 HydrophobicContact CB-CB 4.06Å; A143-L148 PolarHBondContact O-N 2.99Å; N146-L148 VanDerWaalsContact C-N 3.29Å; N146-L148 HydrophobicContact CB-CD1 3.99Å; N146-L148 HydrophobicContact CB-CD2 4.15Å; N146-L148 HydrophobicContact CB-CG 3.74Å; N146-L148 WeakPolarHBondContact O-CD2 3.28Å; N146-L148 PolarHBondContact O-N 2.82Å | ||
| 149 | L | 97.6 | Very high | 96.6 | Very high | 54 Ų | 54 | 51 Ų | 51 | 28% | 0.283 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 151.2 | 161.3 | -61.2 | 175.8 | 0 | 0 | 0 | 108.8 | V118 I119 I120 L121 K171 | V118-L149 HydrophobicContact CG1-CD1 3.8Å; V118-L149 HydrophobicContact CG1-CG 4.48Å; I119-L149 PolarHBondContact O-N 2.78Å; I120-L149 CarbonylContact C-O 3.58Å; I120-L149 WeakPolarHBondContact CA-O 3.22Å; I120-L149 HydrophobicContact CB-CB 3.9Å; I120-L149 HydrophobicContact CD1-CB 3.85Å; I120-L149 HydrophobicContact CD1-CD1 4.22Å; I120-L149 HydrophobicContact CG1-CB 3.61Å; L121-L149 PolarHBondContact N-O 2.88Å; L149-K171 HydrophobicContact CD1-CB 4.05Å; L149-K171 HydrophobicContact CD1-CG 4.38Å |
| 150 | F | 98.3 | Very high | 96.6 | Very high | 38 Ų | 38 | 53.9 Ų | 53.9 | 17% | 0.167 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 138.5 | 179.2 | 177.4 | -119.9 | 0 | 0 | 0 | 112.7 | Y91 L121 Y136 A139 K140 A143 E152 | Y91-F150 HydrophobicContact CE1-CE2 4.24Å; L121-F150 HydrophobicContact CB-CD2 3.99Å; L121-F150 HydrophobicContact CD2-CD2 3.71Å; L121-F150 HydrophobicContact CD2-CE2 4.05Å; L121-F150 HydrophobicContact CG-CD2 3.75Å; L121-F150 HydrophobicContact CG-CE2 4.16Å; L121-F150 WeakPolarHBondContact O-CA 3.48Å; L121-F150 WeakPolarHBondContact O-CD2 3.13Å; Y136-F150 AromaticContact CD2-CE1 3.68Å; Y136-F150 HydrophobicContact CD2-CE1 3.68Å; Y136-F150 HydrophobicContact CD2-CZ 4.06Å; Y136-F150 HydrophobicContact CE1-CE1 4.26Å; Y136-F150 HydrophobicContact CE2-CD1 4.13Å; Y136-F150 AromaticContact CE2-CE1 3.36Å; Y136-F150 HydrophobicContact CE2-CE1 3.36Å; Y136-F150 HydrophobicContact CE2-CZ 4.06Å; Y136-F150 HydrophobicContact CG-CE1 4.23Å; Y136-F150 AromaticContact CZ-CE1 3.67Å; A139-F150 HydrophobicContact CB-CE1 4.41Å; A139-F150 HydrophobicContact CB-CE2 3.78Å; A139-F150 HydrophobicContact CB-CZ 3.6Å; K140-F150 HydrophobicContact CB-CD1 3.65Å; K140-F150 HydrophobicContact CB-CE1 3.67Å; K140-F150 HydrophobicContact CG-CD1 4.04Å; K140-F150 HydrophobicContact CG-CE1 4.48Å; A143-F150 HydrophobicContact CB-CB 3.59Å; A143-F150 HydrophobicContact CB-CG 4.17Å; F150-E152 HydrophobicContact CE2-CG 4.4Å; F150-E152 HydrophobicContact CZ-CG 3.87Å |
| 151 | L | 97.7 | Very high | 96.5 | Very high | 23 Ų | 23 | 50 Ų | 50 | 12% | 0.12 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 163.1 | 166.2 | 63.8 | 122.8 | 0 | 0 | 0 | 110.6 | I120 L121 I122 G123 A153 N160 A164 | I120-L151 HydrophobicContact CD1-CD2 3.21Å; I120-L151 HydrophobicContact CG1-CD2 3.67Å; L121-L151 PolarHBondContact O-N 3.08Å; L121-L151 VanDerWaalsContact O-N 3.14Å; I122-L151 WeakPolarHBondContact CA-O 3.25Å; I122-L151 HydrophobicContact CG1-CD2 4.36Å; I122-L151 HydrophobicContact CG1-CG 4.35Å; I122-L151 HydrophobicContact CG2-CD1 4.37Å; G123-L151 PolarHBondContact N-O 3.06Å; L151-A153 HydrophobicContact CD1-CB 3.85Å; L151-N160 HydrophobicContact CD1-CB 3.81Å; L151-N160 WeakPolarHBondContact CD1-O 3.27Å; L151-A164 HydrophobicContact CD1-CB 3.58Å; L151-A164 HydrophobicContact CD2-CB 3.65Å; L151-A164 HydrophobicContact CG-CB 4.2Å |
| 152 | E | 98.2 | Very high | 96.3 | Very high | 21 Ų | 21 | 48.4 Ų | 48.4 | 10% | 0.098 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 142 | 163.4 | -65.4 | -169.9 | 159.3 | 0 | 0 | 109.7 | G123 A126 R132 Y136 F150 N160 | G123-E152 CarbonylContact O-C 3.49Å; G123-E152 WeakPolarHBondContact O-CA 3.33Å; A126-E152 HydrophobicContact CB-CB 4.32Å; R132-E152 IonicContact CZ-OE1 3.47Å; R132-E152 IonicContact CZ-OE2 3.79Å; R132-E152 IonicContact NH1-OE1 2.7Å; R132-E152 PolarHBondContact NH1-OE1 2.7Å; R132-E152 IonicContact NH1-OE2 2.71Å; R132-E152 PolarHBondContact NH1-OE2 2.98Å; R132-E152 IonicContact NH2-OE1 3.9Å; R132-E152 IonicContact NH2-OE2 2.88Å; R132-E152 PolarHBondContact NH2-OE2 3.37Å; Y136-E152 HydrophobicContact CD2-CG 3.85Å; Y136-E152 HydrophobicContact CE2-CG 4.21Å; F150-E152 HydrophobicContact CE2-CG 4.4Å; F150-E152 HydrophobicContact CZ-CG 3.87Å; E152-N160 WeakPolarHBondContact O-CB 3.29Å; E152-N160 PolarHBondContact O-ND2 3.01Å |
| 153 | A | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 162.3 | -177 | 0 | 0 | 0 | 0 | 0 | 111.2 | L27 I122 G123 N124 K125 A126 L151 E159 N160 V161 | L27-A153 HydrophobicContact CD2-CB 4.39Å; I122-A153 HydrophobicContact CG2-CB 3.93Å; G123-A153 PolarHBondContact O-N 2.87Å; N124-A153 CarbonylContact C-O 3.55Å; N124-A153 VanDerWaalsContact CA-O 3.27Å; N124-A153 WeakPolarHBondContact CA-O 3.43Å; N124-A153 PolarHBondContact OD1-O 3.01Å; K125-A153 PolarHBondContact N-O 3.15Å; A126-A153 WeakPolarHBondContact CB-O 3.34Å; A126-A153 PolarHBondContact N-O 2.83Å; A126-A153 VanDerWaalsContact N-O 3.08Å; L151-A153 HydrophobicContact CD1-CB 3.85Å; A153-E159 VanDerWaalsContact CA-O 3.28Å; A153-E159 WeakPolarHBondContact CA-O 3.33Å; A153-E159 WeakPolarHBondContact CB-O 3.34Å; A153-N160 HydrophobicContact CB-CB 4.17Å; A153-V161 HydrophobicContact CB-CG2 4.38Å |
| 154 | S | 97.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | trans | -126.7 | 111.6 | 166.1 | 172.5 | 0 | 0 | 0 | 0 | 109.7 | D127 K156 T157 G158 E159 V161 | D127-S154 WeakPolarHBondContact OD1-CB 3.38Å; D127-S154 PolarHBondContact OD1-OG 2.96Å; S154-K156 PolarHBondContact O-N 3.04Å; S154-K156 VanDerWaalsContact O-N 3.16Å; S154-K156 PolarHBondContact OG-N 3.13Å; S154-T157 VanDerWaalsContact CB-OG1 3.26Å; S154-T157 WeakPolarHBondContact CB-OG1 3.4Å; S154-T157 PolarHBondContact O-N 3.38Å; S154-T157 PolarHBondContact OG-N 3.27Å; S154-T157 VanDerWaalsContact OG-N 3.11Å; S154-T157 PolarHBondContact OG-OG1 3.33Å; S154-G158 CarbonylContact O-C 3.38Å; S154-G158 VanDerWaalsContact O-CA 3.3Å; S154-G158 WeakPolarHBondContact O-CA 3.2Å; S154-G158 PolarHBondContact O-N 3.12Å; S154-E159 PolarHBondContact N-O 3.11Å; S154-E159 PolarHBondContact O-N 2.76Å; S154-V161 WeakPolarHBondContact O-CG2 3.39Å | ||
| 155 | A | 94.4 | Very high | 96.1 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 3% | 0.025 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -23.8 | 169 | 0 | 0 | 0 | 0 | 0 | 112.8 | C26 L27 Q30 F36 N124 | C26-A155 HydrophobicContact CB-CB 3.6Å; L27-A155 HydrophobicContact CD2-CB 3.89Å; L27-A155 HydrophobicContact CG-CB 4.08Å; Q30-A155 WeakPolarHBondContact CG-O 3.32Å; F36-A155 WeakPolarHBondContact CD2-O 3.08Å; N124-A155 PolarHBondContact OD1-N 2.68Å; N124-A155 VanDerWaalsContact OD1-N 3.1Å |
| 156 | K | 93 | Very high | 96.1 | Very high | 115 Ų | 115 | 39.8 Ų | 39.8 | 50% | 0.5 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -45.1 | -178.7 | -176.2 | -171.2 | 179.2 | -175.3 | 0 | 112.5 | F36 D127 S154 | F36-K156 HydrophobicContact CD1-CB 4.46Å; F36-K156 HydrophobicContact CD1-CG 4.02Å; F36-K156 VanDerWaalsContact CD2-CA 3.48Å; F36-K156 HydrophobicContact CD2-CB 4.08Å; F36-K156 HydrophobicContact CE1-CB 4.35Å; F36-K156 HydrophobicContact CE1-CG 3.94Å; F36-K156 HydrophobicContact CE2-CB 3.96Å; F36-K156 HydrophobicContact CE2-CG 4.45Å; F36-K156 HydrophobicContact CG-CB 4.31Å; F36-K156 HydrophobicContact CG-CG 4.31Å; F36-K156 HydrophobicContact CZ-CB 4.11Å; F36-K156 HydrophobicContact CZ-CG 4.16Å; D127-K156 WeakPolarHBondContact OD2-CD 3.46Å; D127-K156 IonicContact OD2-NZ 3.09Å; D127-K156 PolarHBondContact OD2-NZ 2.88Å; S154-K156 PolarHBondContact O-N 3.04Å; S154-K156 VanDerWaalsContact O-N 3.16Å; S154-K156 PolarHBondContact OG-N 3.13Å |
| 157 | T | 93.7 | Very high | 96.1 | Very high | 82 Ų | 82 | 41.7 Ų | 41.7 | 50% | 0.503 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -22 | 179.7 | 66.6 | 0 | 0 | 0 | 0 | 112.3 | D127 S154 E159 | D127-T157 HydrophobicContact CB-CG2 3.92Å; S154-T157 VanDerWaalsContact CB-OG1 3.26Å; S154-T157 WeakPolarHBondContact CB-OG1 3.4Å; S154-T157 PolarHBondContact O-N 3.38Å; S154-T157 PolarHBondContact OG-N 3.27Å; S154-T157 VanDerWaalsContact OG-N 3.11Å; S154-T157 PolarHBondContact OG-OG1 3.33Å; T157-E159 VanDerWaalsContact C-N 3.31Å; T157-E159 VanDerWaalsContact OG1-CB 3.27Å; T157-E159 WeakPolarHBondContact OG1-CB 3.47Å; T157-E159 PolarHBondContact OG1-N 3.04Å |
| 158 | G | 93.2 | Very high | 96.1 | Very high | 24 Ų | 24 | 38.3 Ų | 38.3 | 25% | 0.247 | 20% | 0.197 | C | C | . | . | trans | 86.9 | -2.8 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | S154 N160 V161 | S154-G158 CarbonylContact O-C 3.38Å; S154-G158 VanDerWaalsContact O-CA 3.3Å; S154-G158 WeakPolarHBondContact O-CA 3.2Å; S154-G158 PolarHBondContact O-N 3.12Å; G158-N160 PolarHBondContact O-N 2.79Å; G158-V161 PolarHBondContact O-N 3.18Å | ||
| 159 | E | 96.5 | Very high | 96.1 | Very high | 102 Ų | 102 | 37.4 Ų | 37.4 | 48% | 0.477 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 127.8 | 178.9 | -177.9 | 175 | -166.2 | 0 | 0 | 111.1 | A153 S154 T157 V161 | A153-E159 VanDerWaalsContact CA-O 3.28Å; A153-E159 WeakPolarHBondContact CA-O 3.33Å; A153-E159 WeakPolarHBondContact CB-O 3.34Å; S154-E159 PolarHBondContact N-O 3.11Å; S154-E159 PolarHBondContact O-N 2.76Å; T157-E159 VanDerWaalsContact C-N 3.31Å; T157-E159 VanDerWaalsContact OG1-CB 3.27Å; T157-E159 WeakPolarHBondContact OG1-CB 3.47Å; T157-E159 PolarHBondContact OG1-N 3.04Å; E159-V161 PolarHBondContact O-N 3.02Å |
| 160 | N | 96.2 | Very high | 96 | Very high | 61 Ų | 61 | 38.3 Ų | 38.3 | 33% | 0.326 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 8.2 | -179.9 | -56.6 | -27.8 | 0 | 0 | 0 | 115.8 | L151 E152 A153 G158 A164 | L151-N160 HydrophobicContact CD1-CB 3.81Å; L151-N160 WeakPolarHBondContact CD1-O 3.27Å; E152-N160 WeakPolarHBondContact O-CB 3.29Å; E152-N160 PolarHBondContact O-ND2 3.01Å; A153-N160 HydrophobicContact CB-CB 4.17Å; G158-N160 PolarHBondContact O-N 2.79Å; N160-A164 WeakPolarHBondContact O-CB 3.49Å; N160-A164 PolarHBondContact O-N 2.79Å |
| 161 | V | 95.8 | Very high | 95.8 | Very high | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.024 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65 | -50.9 | 177.5 | 178 | 0 | 0 | 0 | 0 | 109.3 | L27 Q30 F31 A153 S154 G158 E159 D163 A164 F165 | L27-V161 HydrophobicContact CD2-CB 4.48Å; L27-V161 HydrophobicContact CD2-CG1 4.16Å; L27-V161 HydrophobicContact CD2-CG2 3.76Å; Q30-V161 HydrophobicContact CB-CG1 4.2Å; Q30-V161 HydrophobicContact CG-CB 4.3Å; Q30-V161 HydrophobicContact CG-CG1 4.11Å; Q30-V161 HydrophobicContact CG-CG2 4.04Å; F31-V161 HydrophobicContact CB-CG1 4.06Å; A153-V161 HydrophobicContact CB-CG2 4.38Å; S154-V161 WeakPolarHBondContact O-CG2 3.39Å; G158-V161 PolarHBondContact O-N 3.18Å; E159-V161 PolarHBondContact O-N 3.02Å; V161-D163 VanDerWaalsContact C-N 3.34Å; V161-D163 PolarHBondContact O-N 3.03Å; V161-A164 WeakPolarHBondContact O-CB 3.2Å; V161-A164 PolarHBondContact O-N 3.16Å; V161-F165 HydrophobicContact CG1-CE2 4.25Å; V161-F165 VanDerWaalsContact O-CD2 3.26Å; V161-F165 WeakPolarHBondContact O-CD2 3.2Å |
| 162 | E | 94.9 | Very high | 95.7 | Very high | 73 Ų | 73 | 39.3 Ų | 39.3 | 34% | 0.341 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.7 | -42.4 | 179 | -176 | 151.4 | -152.1 | 0 | 0 | 111.7 | R51 A164 F165 L166 | R51-E162 IonicContact CZ-OE1 3.02Å; R51-E162 IonicContact NH1-OE1 2.83Å; R51-E162 IonicContact NH2-OE1 3.54Å; R51-E162 PolarHBondContact NH2-OE1 3.41Å; E162-A164 VanDerWaalsContact C-N 3.31Å; E162-A164 PolarHBondContact O-N 2.66Å; E162-F165 PolarHBondContact O-N 3.33Å; E162-L166 HydrophobicContact CG-CD1 3.76Å; E162-L166 HydrophobicContact CG-CG 4.2Å; E162-L166 VanDerWaalsContact O-CG 3.31Å; E162-L166 WeakPolarHBondContact O-CG 3.41Å; E162-L166 PolarHBondContact O-N 2.88Å |
| 163 | D | 96.3 | Very high | 95.5 | Very high | 76 Ų | 76 | 39.6 Ų | 39.6 | 41% | 0.406 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60.4 | -38.6 | 178.2 | -60 | -56.3 | 0 | 0 | 0 | 112.2 | V161 F165 L166 E167 | V161-D163 VanDerWaalsContact C-N 3.34Å; V161-D163 PolarHBondContact O-N 3.03Å; D163-F165 PolarHBondContact O-N 3.33Å; D163-L166 PolarHBondContact O-N 3.49Å; D163-E167 WeakPolarHBondContact O-CB 3.3Å; D163-E167 WeakPolarHBondContact O-CG 3.29Å; D163-E167 PolarHBondContact O-N 3.16Å |
| 164 | A | 96.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.6 | -46.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | I120 I122 L151 N160 V161 E162 A168 | I120-A164 WeakPolarHBondContact CD1-O 3.38Å; I122-A164 HydrophobicContact CD1-CB 3.76Å; I122-A164 HydrophobicContact CG1-CB 4.35Å; L151-A164 HydrophobicContact CD1-CB 3.58Å; L151-A164 HydrophobicContact CD2-CB 3.65Å; L151-A164 HydrophobicContact CG-CB 4.2Å; N160-A164 WeakPolarHBondContact O-CB 3.49Å; N160-A164 PolarHBondContact O-N 2.79Å; V161-A164 WeakPolarHBondContact O-CB 3.2Å; V161-A164 PolarHBondContact O-N 3.16Å; E162-A164 VanDerWaalsContact C-N 3.31Å; E162-A164 PolarHBondContact O-N 2.66Å; A164-A168 PolarHBondContact O-N 2.78Å |
| 165 | F | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -73.7 | -36.3 | 179.4 | -71.7 | -94.3 | 0 | 0 | 0 | 111.5 | Y14 I16 F31 L62 I64 L88 V161 E162 D163 A169 | Y14-F165 AromaticContact CD2-CD1 3.9Å; Y14-F165 HydrophobicContact CD2-CD1 3.9Å; Y14-F165 HydrophobicContact CD2-CE1 4.42Å; Y14-F165 HydrophobicContact CE2-CD1 4.17Å; I16-F165 HydrophobicContact CD1-CZ 4.26Å; F31-F165 HydrophobicContact CB-CD2 3.93Å; F31-F165 HydrophobicContact CB-CE2 3.61Å; F31-F165 HydrophobicContact CB-CZ 4.05Å; F31-F165 AromaticContact CD1-CD1 3.93Å; F31-F165 HydrophobicContact CD1-CD1 3.93Å; F31-F165 HydrophobicContact CD1-CD2 4.1Å; F31-F165 HydrophobicContact CD1-CE1 4.08Å; F31-F165 HydrophobicContact CD1-CE2 4.26Å; F31-F165 AromaticContact CD1-CG 3.96Å; F31-F165 HydrophobicContact CD1-CG 3.96Å; F31-F165 HydrophobicContact CD1-CZ 4.24Å; F31-F165 HydrophobicContact CD2-CB 3.94Å; F31-F165 AromaticContact CD2-CD2 3.48Å; F31-F165 HydrophobicContact CD2-CD2 3.48Å; F31-F165 VanDerWaalsContact CD2-CD2 3.48Å; F31-F165 HydrophobicContact CD2-CE2 4.1Å; F31-F165 AromaticContact CD2-CG 3.75Å; F31-F165 HydrophobicContact CD2-CG 3.75Å; F31-F165 HydrophobicContact CE1-CB 4.16Å; F31-F165 AromaticContact CE1-CD1 3.92Å; F31-F165 HydrophobicContact CE1-CD1 3.92Å; F31-F165 HydrophobicContact CE1-CE1 4.47Å; F31-F165 AromaticContact CE1-CG 3.96Å; F31-F165 HydrophobicContact CE1-CG 3.96Å; F31-F165 HydrophobicContact CE2-CB 3.48Å; F31-F165 VanDerWaalsContact CE2-CB 3.48Å; F31-F165 AromaticContact CE2-CD2 3.98Å; F31-F165 HydrophobicContact CE2-CD2 3.98Å; F31-F165 AromaticContact CE2-CG 3.78Å; F31-F165 HydrophobicContact CE2-CG 3.78Å; F31-F165 HydrophobicContact CG-CB 4.47Å; F31-F165 HydrophobicContact CG-CD1 4.24Å; F31-F165 AromaticContact CG-CD2 3.56Å; F31-F165 HydrophobicContact CG-CD2 3.56Å; F31-F165 HydrophobicContact CG-CE1 4.38Å; F31-F165 AromaticContact CG-CE2 3.73Å; F31-F165 HydrophobicContact CG-CE2 3.73Å; F31-F165 AromaticContact CG-CG 3.84Å; F31-F165 HydrophobicContact CG-CG 3.84Å; F31-F165 HydrophobicContact CG-CZ 4.14Å; F31-F165 HydrophobicContact CZ-CB 3.6Å; F31-F165 HydrophobicContact CZ-CD1 4.24Å; F31-F165 HydrophobicContact CZ-CD2 4.45Å; F31-F165 AromaticContact CZ-CG 3.87Å; F31-F165 HydrophobicContact CZ-CG 3.87Å; L62-F165 HydrophobicContact CD1-CB 4.21Å; L62-F165 HydrophobicContact CD1-CD1 4.38Å; I64-F165 HydrophobicContact CD1-CD1 3.85Å; I64-F165 HydrophobicContact CD1-CE1 3.53Å; I64-F165 HydrophobicContact CD1-CZ 4.44Å; I64-F165 HydrophobicContact CG1-CD1 4.4Å; I64-F165 HydrophobicContact CG1-CE1 4.04Å; I64-F165 HydrophobicContact CG2-CE1 4.09Å; L88-F165 HydrophobicContact CD1-CD1 4.44Å; L88-F165 HydrophobicContact CD1-CE1 4.26Å; L88-F165 HydrophobicContact CD2-CD1 3.8Å; L88-F165 HydrophobicContact CD2-CD2 4.15Å; L88-F165 HydrophobicContact CD2-CE1 3.38Å; L88-F165 HydrophobicContact CD2-CE2 3.78Å; L88-F165 HydrophobicContact CD2-CG 4.17Å; L88-F165 HydrophobicContact CD2-CZ 3.38Å; V161-F165 HydrophobicContact CG1-CE2 4.25Å; V161-F165 VanDerWaalsContact O-CD2 3.26Å; V161-F165 WeakPolarHBondContact O-CD2 3.2Å; E162-F165 PolarHBondContact O-N 3.33Å; D163-F165 PolarHBondContact O-N 3.33Å; F165-A169 WeakPolarHBondContact O-CB 3.5Å; F165-A169 PolarHBondContact O-N 3.26Å; F165-A169 VanDerWaalsContact O-N 3.14Å |
| 166 | L | 95.9 | Very high | 94.6 | Very high | 29 Ų | 29 | 47.5 Ų | 47.5 | 15% | 0.152 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -71.4 | -41.1 | -179.6 | -69.5 | -178.7 | 0 | 0 | 0 | 112.7 | I53 V55 E162 D163 A169 K170 | I53-L166 HydrophobicContact CB-CD2 3.88Å; I53-L166 HydrophobicContact CD1-CD2 3.62Å; I53-L166 HydrophobicContact CG1-CD2 4.31Å; I53-L166 HydrophobicContact CG2-CD2 4.03Å; V55-L166 HydrophobicContact CG2-CD2 4.38Å; E162-L166 HydrophobicContact CG-CD1 3.76Å; E162-L166 HydrophobicContact CG-CG 4.2Å; E162-L166 VanDerWaalsContact O-CG 3.31Å; E162-L166 WeakPolarHBondContact O-CG 3.41Å; E162-L166 PolarHBondContact O-N 2.88Å; D163-L166 PolarHBondContact O-N 3.49Å; L166-A169 PolarHBondContact O-N 2.77Å; L166-A169 VanDerWaalsContact O-N 3.12Å; L166-K170 WeakPolarHBondContact O-CB 3.19Å; L166-K170 VanDerWaalsContact O-CG 3.26Å; L166-K170 WeakPolarHBondContact O-CG 3.23Å; L166-K170 PolarHBondContact O-N 3.02Å |
| 167 | E | 96 | Very high | 94.4 | Very high | 81 Ų | 81 | 47.4 Ų | 47.4 | 38% | 0.379 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.3 | -42.5 | 178.5 | -72.7 | -53.7 | 124.1 | 0 | 0 | 111.6 | I120 D163 A169 K170 K171 | I120-E167 HydrophobicContact CD1-CB 4.3Å; D163-E167 WeakPolarHBondContact O-CB 3.3Å; D163-E167 WeakPolarHBondContact O-CG 3.29Å; D163-E167 PolarHBondContact O-N 3.16Å; E167-A169 VanDerWaalsContact C-N 3.29Å; E167-A169 PolarHBondContact O-N 3.33Å; E167-K170 PolarHBondContact O-N 3Å; E167-K170 WeakPolarHBondContact OE1-CD 3.49Å; E167-K170 IonicContact OE1-NZ 2.69Å; E167-K170 PolarHBondContact OE1-NZ 3.05Å; E167-K171 WeakPolarHBondContact O-CB 3.4Å; E167-K171 PolarHBondContact O-N 3.4Å |
| 168 | A | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.6 | -41.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y14 I120 A164 K171 I172 | Y14-A168 HydrophobicContact CE2-CB 4.09Å; Y14-A168 WeakPolarHBondContact OH-CB 3.45Å; I120-A168 HydrophobicContact CG2-CB 4.26Å; A164-A168 PolarHBondContact O-N 2.78Å; A168-K171 PolarHBondContact O-N 3.3Å; A168-I172 WeakPolarHBondContact O-CD1 3.25Å; A168-I172 WeakPolarHBondContact O-CG1 3.32Å; A168-I172 PolarHBondContact O-N 3.06Å |
| 169 | A | 96.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70.7 | -41.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F12 Y14 I53 V55 L62 F165 L166 E167 K171 I172 Y173 | F12-A169 HydrophobicContact CD2-CB 4.42Å; Y14-A169 WeakPolarHBondContact OH-CA 3.48Å; Y14-A169 WeakPolarHBondContact OH-CB 3.46Å; Y14-A169 PolarHBondContact OH-N 2.79Å; I53-A169 HydrophobicContact CD1-CB 3.49Å; I53-A169 VanDerWaalsContact CD1-CB 3.49Å; V55-A169 HydrophobicContact CG2-CB 4Å; L62-A169 HydrophobicContact CD2-CB 4.42Å; F165-A169 WeakPolarHBondContact O-CB 3.5Å; F165-A169 PolarHBondContact O-N 3.26Å; F165-A169 VanDerWaalsContact O-N 3.14Å; L166-A169 PolarHBondContact O-N 2.77Å; L166-A169 VanDerWaalsContact O-N 3.12Å; E167-A169 VanDerWaalsContact C-N 3.29Å; E167-A169 PolarHBondContact O-N 3.33Å; A169-K171 VanDerWaalsContact C-N 3.34Å; A169-I172 PolarHBondContact O-N 3.28Å; A169-Y173 VanDerWaalsContact O-CB 3.29Å; A169-Y173 WeakPolarHBondContact O-CB 3.35Å; A169-Y173 PolarHBondContact O-N 3.11Å |
| 170 | K | 95.7 | Very high | 92 | Very high | 73 Ų | 73 | 49.3 Ų | 49.3 | 32% | 0.317 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -57 | -48.6 | 172.4 | -73.9 | 168.3 | -169.4 | 173.3 | 0 | 110.6 | V55 L166 E167 Y173 Q174 | V55-K170 HydrophobicContact CG1-CB 4.27Å; V55-K170 HydrophobicContact CG1-CG 3.63Å; L166-K170 WeakPolarHBondContact O-CB 3.19Å; L166-K170 VanDerWaalsContact O-CG 3.26Å; L166-K170 WeakPolarHBondContact O-CG 3.23Å; L166-K170 PolarHBondContact O-N 3.02Å; E167-K170 PolarHBondContact O-N 3Å; E167-K170 WeakPolarHBondContact OE1-CD 3.49Å; E167-K170 IonicContact OE1-NZ 2.69Å; E167-K170 PolarHBondContact OE1-NZ 3.05Å; K170-Y173 PolarHBondContact O-N 3.28Å; K170-Q174 WeakPolarHBondContact O-CB 3.22Å; K170-Q174 VanDerWaalsContact O-CG 3.29Å; K170-Q174 WeakPolarHBondContact O-CG 3.45Å; K170-Q174 PolarHBondContact O-N 2.88Å |
| 171 | K | 95.3 | Very high | 90.2 | Very high | 81 Ų | 81 | 51 Ų | 51 | 35% | 0.352 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.2 | -42.4 | -178.8 | -174.7 | 60.5 | 179.5 | 169.2 | 0 | 112.6 | V118 L149 E167 A168 A169 Y173 Q174 N175 | V118-K171 HydrophobicContact CG1-CB 4.03Å; V118-K171 HydrophobicContact CG1-CG 3.9Å; V118-K171 HydrophobicContact CG2-CB 4.32Å; V118-K171 HydrophobicContact CG2-CG 3.82Å; L149-K171 HydrophobicContact CD1-CB 4.05Å; L149-K171 HydrophobicContact CD1-CG 4.38Å; E167-K171 WeakPolarHBondContact O-CB 3.4Å; E167-K171 PolarHBondContact O-N 3.4Å; A168-K171 PolarHBondContact O-N 3.3Å; A169-K171 VanDerWaalsContact C-N 3.34Å; K171-Y173 VanDerWaalsContact C-N 3.35Å; K171-Q174 PolarHBondContact O-N 3.01Å; K171-N175 WeakPolarHBondContact CE-OD1 3.46Å; K171-N175 PolarHBondContact O-N 3.39Å; K171-N175 PolarHBondContact O-OD1 3.49Å |
| 172 | I | 94.8 | Very high | 89.9 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 175.2 | -66.8 | 163.3 | 0 | 0 | 0 | 110.5 | F12 Y14 A85 V118 A168 A169 N175 I176 L181 | F12-I172 HydrophobicContact CD1-CG2 4.02Å; F12-I172 HydrophobicContact CD2-CB 4.23Å; F12-I172 HydrophobicContact CD2-CD1 4.41Å; F12-I172 HydrophobicContact CD2-CG2 3.94Å; F12-I172 HydrophobicContact CE1-CG2 3.78Å; F12-I172 HydrophobicContact CE2-CB 3.94Å; F12-I172 HydrophobicContact CE2-CG2 3.66Å; F12-I172 HydrophobicContact CG-CG2 4.13Å; F12-I172 HydrophobicContact CZ-CB 4.3Å; F12-I172 HydrophobicContact CZ-CG2 3.61Å; Y14-I172 HydrophobicContact CD1-CD1 4.45Å; Y14-I172 HydrophobicContact CE1-CD1 3.4Å; Y14-I172 VanDerWaalsContact CE1-CD1 3.4Å; A85-I172 HydrophobicContact CB-CD1 4.06Å; A85-I172 HydrophobicContact CB-CG2 4.16Å; A85-I172 VanDerWaalsContact O-CD1 3.23Å; A85-I172 WeakPolarHBondContact O-CD1 3.4Å; V118-I172 HydrophobicContact CB-CD1 4.22Å; V118-I172 HydrophobicContact CB-CG1 3.65Å; V118-I172 HydrophobicContact CG1-CG1 4.48Å; V118-I172 HydrophobicContact CG2-CB 4.47Å; V118-I172 HydrophobicContact CG2-CG1 3.47Å; V118-I172 VanDerWaalsContact CG2-CG1 3.47Å; A168-I172 WeakPolarHBondContact O-CD1 3.25Å; A168-I172 WeakPolarHBondContact O-CG1 3.32Å; A168-I172 PolarHBondContact O-N 3.06Å; A169-I172 PolarHBondContact O-N 3.28Å; I172-N175 PolarHBondContact O-N 3.38Å; I172-I176 HydrophobicContact CG2-CD1 4.13Å; I172-I176 WeakPolarHBondContact O-CG1 3.22Å; I172-I176 PolarHBondContact O-N 3.29Å; I172-L181 HydrophobicContact CG2-CD1 4.24Å |
| 173 | Y | 93.9 | Very high | 89.7 | Confident | 26 Ų | 26 | 52.4 Ų | 52.4 | 10% | 0.102 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 179 | -178.6 | -111.1 | 0 | 0 | 0 | 112.1 | Y10 V55 Q58 I60 A169 K170 K171 I176 Q177 | Y10-Y173 HydrophobicContact CD2-CD2 4.39Å; Y10-Y173 HydrophobicContact CD2-CE2 4.2Å; Y10-Y173 HydrophobicContact CE2-CD2 4.16Å; Y10-Y173 AromaticContact CE2-CE2 3.57Å; Y10-Y173 HydrophobicContact CE2-CE2 3.57Å; Y10-Y173 AromaticContact CZ-CE2 3.86Å; V55-Y173 HydrophobicContact CG1-CD1 4.42Å; Q58-Y173 HydrophobicContact CG-CE2 4.11Å; Q58-Y173 WeakPolarHBondContact CG-OH 3.4Å; I60-Y173 HydrophobicContact CD1-CD2 4.38Å; I60-Y173 HydrophobicContact CD1-CG 4.48Å; A169-Y173 VanDerWaalsContact O-CB 3.29Å; A169-Y173 WeakPolarHBondContact O-CB 3.35Å; A169-Y173 PolarHBondContact O-N 3.11Å; K170-Y173 PolarHBondContact O-N 3.28Å; K171-Y173 VanDerWaalsContact C-N 3.35Å; Y173-I176 WeakPolarHBondContact O-CB 3.19Å; Y173-I176 PolarHBondContact O-N 3.04Å; Y173-Q177 HydrophobicContact CD1-CG 4.44Å; Y173-Q177 HydrophobicContact CE1-CG 4.03Å; Y173-Q177 HydrophobicContact CE2-CG 4.41Å; Y173-Q177 WeakPolarHBondContact O-CG 3.36Å; Y173-Q177 PolarHBondContact O-N 3.31Å; Y173-Q177 PolarHBondContact OH-NE2 3.05Å |
| 174 | Q | 92.5 | Very high | 89.3 | Confident | 96 Ų | 96 | 51.1 Ų | 51.1 | 45% | 0.449 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.1 | -49 | 173 | -75.4 | 170.6 | -8.8 | 0 | 0 | 111.5 | K170 K171 I176 Q177 D178 | K170-Q174 WeakPolarHBondContact O-CB 3.22Å; K170-Q174 VanDerWaalsContact O-CG 3.29Å; K170-Q174 WeakPolarHBondContact O-CG 3.45Å; K170-Q174 PolarHBondContact O-N 2.88Å; K171-Q174 PolarHBondContact O-N 3.01Å; Q174-I176 PolarHBondContact O-N 3.08Å; Q174-Q177 WeakPolarHBondContact O-CA 3.4Å; Q174-Q177 WeakPolarHBondContact O-CB 3.38Å; Q174-Q177 PolarHBondContact O-N 2.76Å; Q174-D178 PolarHBondContact O-N 2.98Å |
| 175 | N | 90.4 | Very high | 88.9 | Confident | 21 Ų | 21 | 54.1 Ų | 54.1 | 11% | 0.112 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.5 | -31.8 | 178.4 | -67.7 | -2.1 | 0 | 0 | 0 | 112.5 | K171 I172 G179 S180 L181 | K171-N175 WeakPolarHBondContact CE-OD1 3.46Å; K171-N175 PolarHBondContact O-N 3.39Å; K171-N175 PolarHBondContact O-OD1 3.49Å; I172-N175 PolarHBondContact O-N 3.38Å; N175-G179 PolarHBondContact O-N 3.22Å; N175-S180 WeakPolarHBondContact CA-OG 3.11Å; N175-S180 WeakPolarHBondContact CB-OG 3.5Å; N175-S180 PolarHBondContact O-N 3.19Å; N175-S180 PolarHBondContact O-OG 3.07Å; N175-L181 HydrophobicContact CB-CB 4.09Å; N175-L181 HydrophobicContact CB-CD1 3.4Å; N175-L181 HydrophobicContact CB-CG 4.31Å; N175-L181 PolarHBondContact O-N 3.26Å |
| 176 | I | 88.3 | Confident | 88.4 | Confident | 53 Ų | 53 | 57.4 Ų | 57.4 | 27% | 0.272 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -69.8 | -42 | 173.1 | -68 | 166 | 0 | 0 | 0 | 111.1 | Y10 F12 I172 Y173 Q174 D178 G179 L181 | Y10-I176 HydrophobicContact CE1-CG2 4.39Å; F12-I176 HydrophobicContact CE1-CD1 3.52Å; F12-I176 HydrophobicContact CZ-CD1 3.73Å; I172-I176 HydrophobicContact CG2-CD1 4.13Å; I172-I176 WeakPolarHBondContact O-CG1 3.22Å; I172-I176 PolarHBondContact O-N 3.29Å; Y173-I176 WeakPolarHBondContact O-CB 3.19Å; Y173-I176 PolarHBondContact O-N 3.04Å; Q174-I176 PolarHBondContact O-N 3.08Å; I176-D178 VanDerWaalsContact C-N 3.29Å; I176-D178 PolarHBondContact O-N 3.05Å; I176-G179 PolarHBondContact O-N 3.3Å; I176-L181 HydrophobicContact CG1-CB 4Å |
| 177 | Q | 87.5 | Confident | 87.9 | Confident | 112 Ų | 112 | 59.3 Ų | 59.3 | 52% | 0.523 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.9 | -36.9 | 177.1 | -66.9 | -61.3 | -62.1 | 0 | 0 | 112 | Y173 Q174 G179 | Y173-Q177 HydrophobicContact CD1-CG 4.44Å; Y173-Q177 HydrophobicContact CE1-CG 4.03Å; Y173-Q177 HydrophobicContact CE2-CG 4.41Å; Y173-Q177 WeakPolarHBondContact O-CG 3.36Å; Y173-Q177 PolarHBondContact O-N 3.31Å; Y173-Q177 PolarHBondContact OH-NE2 3.05Å; Q174-Q177 WeakPolarHBondContact O-CA 3.4Å; Q174-Q177 WeakPolarHBondContact O-CB 3.38Å; Q174-Q177 PolarHBondContact O-N 2.76Å; Q177-G179 PolarHBondContact O-N 3.12Å |
| 178 | D | 86.6 | Confident | 87.3 | Confident | 126 Ų | 126 | 57.8 Ų | 57.8 | 67% | 0.674 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -5.3 | 180 | -62.2 | -21.8 | 0 | 0 | 0 | 112.9 | Q174 I176 S180 | Q174-D178 PolarHBondContact O-N 2.98Å; I176-D178 VanDerWaalsContact C-N 3.29Å; I176-D178 PolarHBondContact O-N 3.05Å; D178-S180 VanDerWaalsContact C-N 3.29Å; D178-S180 PolarHBondContact O-N 3.09Å |
| 179 | G | 78.1 | Confident | 86.6 | Confident | 65 Ų | 65 | 62.2 Ų | 62.2 | 67% | 0.67 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.1 | 17.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | N175 I176 Q177 | N175-G179 PolarHBondContact O-N 3.22Å; I176-G179 PolarHBondContact O-N 3.3Å; Q177-G179 PolarHBondContact O-N 3.12Å |
| 180 | S | 67.8 | Low | 85.8 | Confident | 57 Ų | 57 | 67.4 Ų | 67.4 | 40% | 0.399 | 37% | 0.366 | S | S | . | . | trans | -94.2 | 6.8 | -178.7 | 66.3 | 0 | 0 | 0 | 0 | 113.7 | N116 N175 D178 | N116-S180 VanDerWaalsContact CG-O 3.24Å; N116-S180 PolarHBondContact ND2-O 2.96Å; N175-S180 WeakPolarHBondContact CA-OG 3.11Å; N175-S180 WeakPolarHBondContact CB-OG 3.5Å; N175-S180 PolarHBondContact O-N 3.19Å; N175-S180 PolarHBondContact O-OG 3.07Å; D178-S180 VanDerWaalsContact C-N 3.29Å; D178-S180 PolarHBondContact O-N 3.09Å | ||
| 181 | L | 59.3 | Low | 85 | Confident | 98 Ų | 98 | 66.9 Ų | 66.9 | 51% | 0.513 | 37% | 0.37 | S | S | . | . | trans | -135 | 0 | -175.5 | -132.5 | 149.2 | 0 | 0 | 0 | 112.1 | N116 I172 N175 I176 | N116-L181 HydrophobicContact CB-CD1 4.35Å; N116-L181 HydrophobicContact CB-CD2 4.46Å; N116-L181 HydrophobicContact CB-CG 3.8Å; I172-L181 HydrophobicContact CG2-CD1 4.24Å; N175-L181 HydrophobicContact CB-CB 4.09Å; N175-L181 HydrophobicContact CB-CD1 3.4Å; N175-L181 HydrophobicContact CB-CG 4.31Å; N175-L181 PolarHBondContact O-N 3.26Å; I176-L181 HydrophobicContact CG1-CB 4Å |
Retrieved 181 of 181 residues in 43 ms
(Link to these results)