| 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 | 82.5 | Confident | 91.4 | Very high | 56 Ų | 56 | 24.4 Ų | 24.4 | 28% | 0.276 | 12% | 0.122 | S | C | . | . | 0 | 165 | 0 | -68.1 | 161.4 | -166.1 | 0 | 0 | 108.3 | S3 T77 E79 Y128 | M1-S3 PolarHBondContact O-N 2.9Å; M1-T77 WeakPolarHBondContact O-CB 3.29Å; M1-T77 PolarHBondContact O-OG1 3.06Å; M1-E79 WeakPolarHBondContact CG-OE2 3.45Å; M1-E79 VanDerWaalsContact N-CD 3.34Å; M1-E79 PolarHBondContact N-OE2 2.82Å; M1-Y128 HydrophobicContact CE-CE1 3.53Å; M1-Y128 VanDerWaalsContact CE-CZ 3.46Å; M1-Y128 WeakPolarHBondContact CE-OH 3.43Å; M1-Y128 HydrophobicContact CG-CE1 4.04Å; M1-Y128 HydrophobicContact SD-CE1 3.66Å; M1-Y128 HydrophobicContact SD-CE2 3.9Å; M1-Y128 PolarHBondContact SD-OH 2.93Å | |||
| 2 | I | 91 | Very high | 91 | Very high | 5 Ų | 5 | 23.3 Ų | 23.3 | 3% | 0.026 | 12% | 0.122 | C | C | . | . | trans | -77.7 | 123 | -178 | -61.4 | 164.2 | 0 | 0 | 0 | 109.1 | F20 V75 L86 L89 L124 G127 V129 | I2-F20 HydrophobicContact CG2-CD2 4.26Å; I2-F20 HydrophobicContact CG2-CE2 4.43Å; I2-V75 HydrophobicContact CG2-CB 4.17Å; I2-V75 HydrophobicContact CG2-CG1 4.05Å; I2-L86 HydrophobicContact CD1-CD2 3.76Å; I2-L86 HydrophobicContact CG1-CD2 3.59Å; I2-L89 HydrophobicContact CD1-CD2 3.25Å; I2-L124 HydrophobicContact CD1-CD1 4.47Å; I2-L124 HydrophobicContact CD1-CD2 3.75Å; I2-G127 PolarHBondContact N-O 3.11Å; I2-G127 WeakPolarHBondContact O-CA 3.36Å; I2-V129 HydrophobicContact CD1-CG2 4.45Å | ||
| 3 | S | 91.1 | Very high | 91 | Very high | 4 Ų | 4 | 27.8 Ų | 27.8 | 3% | 0.028 | 15% | 0.147 | C | C | . | . | trans | -87.6 | -57.9 | 176.9 | -71.2 | 0 | 0 | 0 | 0 | 111.1 | M1 F20 D23 T76 | M1-S3 PolarHBondContact O-N 2.9Å; S3-F20 PolarHBondContact O-N 3.24Å; S3-D23 WeakPolarHBondContact CB-OD2 3.42Å; S3-D23 PolarHBondContact OG-OD2 3.26Å; S3-T76 PolarHBondContact N-O 2.65Å | ||
| 4 | Q | 92.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 151.6 | -179.5 | -60.6 | 115.3 | 7 | 0 | 0 | 111.3 | K18 D19 D23 V75 T76 | Q4-K18 CarbonylContact C-O 3.6Å; Q4-K18 VanDerWaalsContact CA-O 3.28Å; Q4-K18 WeakPolarHBondContact CA-O 3.39Å; Q4-D19 HydrophobicContact CG-CB 4.19Å; Q4-D23 PolarHBondContact NE2-O 3.4Å; Q4-V75 CarbonylContact O-C 3.51Å; Q4-V75 VanDerWaalsContact O-CA 3.28Å; Q4-V75 WeakPolarHBondContact O-CA 3.48Å; Q4-T76 VanDerWaalsContact CB-OG1 3.31Å; Q4-T76 WeakPolarHBondContact CB-OG1 3.39Å; Q4-T76 PolarHBondContact N-OG1 3.25Å; Q4-T76 PolarHBondContact O-N 3.18Å; Q4-T76 PolarHBondContact OE1-OG1 3.22Å |
| 5 | F | 94.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 135.4 | 166.1 | 173.4 | -90.6 | 0 | 0 | 0 | 109.3 | I7 I16 K18 F20 L73 V74 V75 L90 L93 L120 | F5-I7 HydrophobicContact CE1-CD1 3.9Å; F5-I7 HydrophobicContact CE1-CG1 3.57Å; F5-I7 HydrophobicContact CZ-CD1 3.96Å; F5-I7 HydrophobicContact CZ-CG1 3.69Å; F5-I16 HydrophobicContact CD1-CG2 4.45Å; F5-I16 HydrophobicContact CE1-CG2 4.35Å; F5-K18 PolarHBondContact N-O 2.99Å; F5-K18 PolarHBondContact O-N 3Å; F5-F20 HydrophobicContact CB-CE2 3.73Å; F5-F20 HydrophobicContact CB-CZ 4.41Å; F5-L73 HydrophobicContact CZ-CD2 4.48Å; F5-V74 WeakPolarHBondContact CA-O 3.36Å; F5-V75 HydrophobicContact CB-CG1 4.39Å; F5-V75 HydrophobicContact CD2-CG1 3.75Å; F5-L90 HydrophobicContact CD2-CD2 4.19Å; F5-L90 HydrophobicContact CE2-CD2 3.81Å; F5-L93 HydrophobicContact CD2-CD1 4.19Å; F5-L93 HydrophobicContact CE2-CD1 3.8Å; F5-L93 HydrophobicContact CZ-CD1 4.44Å; F5-L120 HydrophobicContact CD1-CD1 3.56Å; F5-L120 HydrophobicContact CD1-CD2 3.68Å; F5-L120 HydrophobicContact CD1-CG 4.29Å; F5-L120 HydrophobicContact CE1-CD1 3.73Å; F5-L120 HydrophobicContact CE1-CD2 3.69Å; F5-L120 HydrophobicContact CE1-CG 4.32Å; F5-L120 HydrophobicContact CG-CD2 4.17Å; F5-L120 HydrophobicContact CZ-CD2 4.2Å |
| 6 | F | 94.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 153 | 174 | 52.4 | -92.7 | 0 | 0 | 0 | 112.5 | L8 I16 Y17 V29 A30 F33 F63 V74 T76 | F6-L8 HydrophobicContact CD2-CD1 4.23Å; F6-L8 HydrophobicContact CD2-CD2 3.7Å; F6-L8 HydrophobicContact CD2-CG 3.84Å; F6-L8 HydrophobicContact CE2-CD1 4.04Å; F6-L8 HydrophobicContact CE2-CD2 4.29Å; F6-L8 HydrophobicContact CE2-CG 4.16Å; F6-I16 CarbonylContact C-O 3.54Å; F6-I16 WeakPolarHBondContact CA-O 2.96Å; F6-I16 WeakPolarHBondContact CB-O 3.42Å; F6-Y17 HydrophobicContact CB-CD2 4.07Å; F6-Y17 HydrophobicContact CD1-CD2 4.4Å; F6-V29 HydrophobicContact CE1-CG1 4.07Å; F6-A30 HydrophobicContact CD2-CB 4.09Å; F6-A30 HydrophobicContact CE2-CB 4.18Å; F6-A30 HydrophobicContact CG-CB 4.38Å; F6-F33 HydrophobicContact CE2-CB 4.14Å; F6-F33 HydrophobicContact CE2-CD1 4.04Å; F6-F33 HydrophobicContact CE2-CG 4.09Å; F6-F33 HydrophobicContact CZ-CB 3.94Å; F6-F33 HydrophobicContact CZ-CG 4.16Å; F6-F63 HydrophobicContact CZ-CD1 4.13Å; F6-F63 HydrophobicContact CZ-CE1 4.15Å; F6-V74 HydrophobicContact CD2-CB 3.74Å; F6-V74 HydrophobicContact CD2-CG1 4.46Å; F6-V74 HydrophobicContact CD2-CG2 3.94Å; F6-V74 HydrophobicContact CE1-CB 4.19Å; F6-V74 HydrophobicContact CE1-CG1 4.04Å; F6-V74 HydrophobicContact CE2-CB 3.37Å; F6-V74 HydrophobicContact CE2-CG1 3.65Å; F6-V74 HydrophobicContact CE2-CG2 3.52Å; F6-V74 HydrophobicContact CG-CB 4.31Å; F6-V74 HydrophobicContact CZ-CB 3.62Å; F6-V74 HydrophobicContact CZ-CG1 3.4Å; F6-V74 HydrophobicContact CZ-CG2 4.19Å; F6-V74 PolarHBondContact N-O 3.49Å; F6-V74 PolarHBondContact O-N 3.12Å; F6-T76 HydrophobicContact CE1-CG2 3.83Å; F6-T76 HydrophobicContact CZ-CG2 4.47Å |
| 7 | I | 95.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 124 | 175.9 | -53 | -177.5 | 0 | 0 | 0 | 108.1 | F5 L15 I16 L71 Y72 L73 L97 I109 | F5-I7 HydrophobicContact CE1-CD1 3.9Å; F5-I7 HydrophobicContact CE1-CG1 3.57Å; F5-I7 HydrophobicContact CZ-CD1 3.96Å; F5-I7 HydrophobicContact CZ-CG1 3.69Å; I7-L15 HydrophobicContact CG2-CD1 4.46Å; I7-L15 PolarHBondContact O-N 2.82Å; I7-I16 HydrophobicContact CB-CB 4.07Å; I7-I16 HydrophobicContact CB-CG1 4.37Å; I7-I16 HydrophobicContact CD1-CB 4.27Å; I7-I16 HydrophobicContact CD1-CG1 4.08Å; I7-I16 HydrophobicContact CG1-CB 4.04Å; I7-I16 HydrophobicContact CG1-CG1 4.35Å; I7-I16 PolarHBondContact N-O 2.85Å; I7-I16 PolarHBondContact O-N 2.86Å; I7-L71 HydrophobicContact CG2-CB 4.27Å; I7-L71 HydrophobicContact CG2-CD1 4.33Å; I7-L71 HydrophobicContact CG2-CD2 4.44Å; I7-Y72 CarbonylContact C-O 3.59Å; I7-Y72 VanDerWaalsContact CA-O 3.3Å; I7-Y72 WeakPolarHBondContact CA-O 3.17Å; I7-L73 HydrophobicContact CG1-CG 4.27Å; I7-L73 HydrophobicContact CG2-CD1 4.49Å; I7-L97 HydrophobicContact CD1-CD1 3.86Å; I7-I109 HydrophobicContact CD1-CD1 4.45Å |
| 8 | L | 93.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 148.7 | 176.9 | -47.7 | -177 | 0 | 0 | 0 | 111.7 | F6 D13 P14 A30 F33 Y34 L71 Y72 | F6-L8 HydrophobicContact CD2-CD1 4.23Å; F6-L8 HydrophobicContact CD2-CD2 3.7Å; F6-L8 HydrophobicContact CD2-CG 3.84Å; F6-L8 HydrophobicContact CE2-CD1 4.04Å; F6-L8 HydrophobicContact CE2-CD2 4.29Å; F6-L8 HydrophobicContact CE2-CG 4.16Å; L8-D13 CarbonylContact C-O 3.55Å; L8-D13 VanDerWaalsContact CA-O 3.32Å; L8-D13 WeakPolarHBondContact CA-O 3.34Å; L8-P14 HydrophobicContact CD2-CB 3.92Å; L8-A30 HydrophobicContact CD2-CB 3.92Å; L8-F33 HydrophobicContact CD1-CD1 3.6Å; L8-F33 HydrophobicContact CD1-CE1 3.98Å; L8-Y34 HydrophobicContact CD1-CD2 4.36Å; L8-L71 WeakPolarHBondContact O-CA 3.48Å; L8-Y72 HydrophobicContact CB-CD2 4.49Å; L8-Y72 PolarHBondContact N-O 2.71Å; L8-Y72 PolarHBondContact O-N 3.15Å |
| 9 | S | 92.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -66.6 | 170.7 | 165.3 | 80.6 | 0 | 0 | 0 | 0 | 111.1 | K11 G12 D13 | S9-K11 PolarHBondContact O-N 2.58Å; S9-K11 PolarHBondContact OG-N 3.27Å; S9-G12 PolarHBondContact O-N 3.24Å; S9-G12 PolarHBondContact OG-N 3.27Å; S9-D13 PolarHBondContact N-O 3.09Å; S9-D13 WeakPolarHBondContact OG-CB 3.38Å; S9-D13 PolarHBondContact OG-N 3.39Å; S9-D13 PolarHBondContact OG-OD2 2.9Å | ||
| 10 | S | 87.8 | Confident | 91.7 | Very high | 50 Ų | 50 | 28.8 Ų | 28.8 | 35% | 0.35 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -24 | 173.6 | 54.4 | 0 | 0 | 0 | 0 | 112.7 | Y34 S70 | S10-Y34 PolarHBondContact O-OH 3.37Å; S10-Y34 VanDerWaalsContact O-OH 3.04Å; S10-S70 WeakPolarHBondContact CA-O 3.4Å; S10-S70 WeakPolarHBondContact CB-O 3.12Å; S10-S70 PolarHBondContact N-O 3.03Å |
| 11 | K | 88.9 | Confident | 91.5 | Very high | 152 Ų | 152 | 30.6 Ų | 30.6 | 66% | 0.661 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -1.9 | 177.5 | -59.7 | 179.3 | -177.7 | 174.6 | 0 | 113.6 | S9 Y34 | S9-K11 PolarHBondContact O-N 2.58Å; S9-K11 PolarHBondContact OG-N 3.27Å; K11-Y34 WeakPolarHBondContact CA-OH 3.29Å; K11-Y34 VanDerWaalsContact O-CE1 3.29Å; K11-Y34 WeakPolarHBondContact O-CE1 3.42Å; K11-Y34 PolarHBondContact O-OH 3.09Å |
| 12 | G | 87.1 | Confident | 91.4 | Very high | 12 Ų | 12 | 30.9 Ų | 30.9 | 12% | 0.124 | 17% | 0.173 | C | C | . | . | trans | 90.3 | 4.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | S9 Y34 | S9-G12 PolarHBondContact O-N 3.24Å; S9-G12 PolarHBondContact OG-N 3.27Å; G12-Y34 VanDerWaalsContact N-CE2 3.29Å | ||
| 13 | D | 90.8 | Very high | 90.4 | Very high | 82 Ų | 82 | 33.3 Ų | 33.3 | 44% | 0.439 | 19% | 0.186 | S | C | . | . | trans | -70.3 | 128.2 | 178.9 | -55.4 | -57.3 | 0 | 0 | 0 | 110.2 | L8 S9 L15 | L8-D13 CarbonylContact C-O 3.55Å; L8-D13 VanDerWaalsContact CA-O 3.32Å; L8-D13 WeakPolarHBondContact CA-O 3.34Å; S9-D13 PolarHBondContact N-O 3.09Å; S9-D13 WeakPolarHBondContact OG-CB 3.38Å; S9-D13 PolarHBondContact OG-N 3.39Å; S9-D13 PolarHBondContact OG-OD2 2.9Å; D13-L15 PolarHBondContact O-N 3.5Å | ||
| 14 | P | 92.2 | Very high | 88.7 | Confident | 53 Ų | 53 | 37.6 Ų | 37.6 | 34% | 0.344 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 111.4 | 179.4 | 29.2 | -32.9 | 0 | 0 | 0 | 110.8 | L8 A30 | L8-P14 HydrophobicContact CD2-CB 3.92Å; P14-A30 HydrophobicContact CB-CB 4.49Å |
| 15 | L | 94.1 | Very high | 87.1 | Confident | 29 Ų | 29 | 38.3 Ų | 38.3 | 15% | 0.152 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | -40.8 | 176 | -55.2 | -179.5 | 0 | 0 | 0 | 111.3 | I7 D13 L71 E106 I109 | I7-L15 HydrophobicContact CG2-CD1 4.46Å; I7-L15 PolarHBondContact O-N 2.82Å; D13-L15 PolarHBondContact O-N 3.5Å; L15-L71 HydrophobicContact CD1-CD2 3.67Å; L15-E106 HydrophobicContact CD1-CB 4.27Å; L15-E106 HydrophobicContact CD1-CG 3.91Å; L15-E106 HydrophobicContact CD2-CG 4.04Å; L15-I109 HydrophobicContact CB-CG2 3.99Å; L15-I109 HydrophobicContact CD1-CB 4.37Å; L15-I109 HydrophobicContact CD1-CG2 4.27Å |
| 16 | I | 95.6 | Very high | 85.7 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 137.9 | 178.5 | -60.6 | -68.2 | 0 | 0 | 0 | 108 | F5 F6 I7 I109 V113 V116 Y117 L120 | F5-I16 HydrophobicContact CD1-CG2 4.45Å; F5-I16 HydrophobicContact CE1-CG2 4.35Å; F6-I16 CarbonylContact C-O 3.54Å; F6-I16 WeakPolarHBondContact CA-O 2.96Å; F6-I16 WeakPolarHBondContact CB-O 3.42Å; I7-I16 HydrophobicContact CB-CB 4.07Å; I7-I16 HydrophobicContact CB-CG1 4.37Å; I7-I16 HydrophobicContact CD1-CB 4.27Å; I7-I16 HydrophobicContact CD1-CG1 4.08Å; I7-I16 HydrophobicContact CG1-CB 4.04Å; I7-I16 HydrophobicContact CG1-CG1 4.35Å; I7-I16 PolarHBondContact N-O 2.85Å; I7-I16 PolarHBondContact O-N 2.86Å; I16-I109 HydrophobicContact CD1-CG2 4.2Å; I16-I109 HydrophobicContact CG1-CG2 3.69Å; I16-V113 HydrophobicContact CD1-CB 4.28Å; I16-V113 HydrophobicContact CD1-CG1 3.9Å; I16-V113 HydrophobicContact CD1-CG2 4.14Å; I16-V116 HydrophobicContact CD1-CB 4Å; I16-V116 HydrophobicContact CD1-CG1 3.82Å; I16-V116 HydrophobicContact CG1-CG1 3.86Å; I16-V116 HydrophobicContact CG2-CG1 4.22Å; I16-Y117 HydrophobicContact CD1-CE2 4.16Å; I16-Y117 HydrophobicContact CG2-CE1 4.12Å; I16-L120 HydrophobicContact CG2-CD1 3.84Å |
| 17 | Y | 94.5 | Very high | 84.3 | Confident | 40 Ų | 40 | 48.8 Ų | 48.8 | 16% | 0.157 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 121 | 172.7 | 178 | -85 | 0 | 0 | 0 | 109.4 | F6 D19 G26 Y117 | F6-Y17 HydrophobicContact CB-CD2 4.07Å; F6-Y17 HydrophobicContact CD1-CD2 4.4Å; Y17-D19 HydrophobicContact CE1-CB 4.11Å; Y17-G26 VanDerWaalsContact CE2-O 3.22Å; Y17-G26 WeakPolarHBondContact CE2-O 3.25Å; Y17-G26 VanDerWaalsContact CZ-C 3.46Å; Y17-G26 VanDerWaalsContact CZ-O 3.27Å; Y17-G26 VanDerWaalsContact OH-CA 3.29Å; Y17-G26 WeakPolarHBondContact OH-CA 3.33Å; Y17-G26 PolarHBondContact OH-N 2.88Å; Y17-G26 PolarHBondContact OH-O 2.86Å; Y17-G26 VanDerWaalsContact OH-O 3.06Å; Y17-Y117 PolarHBondContact N-OH 3.01Å; Y17-Y117 WeakPolarHBondContact O-CE1 3.17Å; Y17-Y117 PolarHBondContact O-OH 2.81Å; Y17-Y117 VanDerWaalsContact O-OH 3.05Å |
| 18 | K | 92.6 | Very high | 83.5 | Confident | 22 Ų | 22 | 52.3 Ų | 52.3 | 10% | 0.096 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 129.6 | 177.6 | -168.8 | 163.9 | -175 | 168.8 | 0 | 110.7 | Q4 F5 F20 Y117 L120 D121 | Q4-K18 CarbonylContact C-O 3.6Å; Q4-K18 VanDerWaalsContact CA-O 3.28Å; Q4-K18 WeakPolarHBondContact CA-O 3.39Å; F5-K18 PolarHBondContact N-O 2.99Å; F5-K18 PolarHBondContact O-N 3Å; K18-F20 HydrophobicContact CB-CE2 4.45Å; K18-F20 HydrophobicContact CB-CZ 4.38Å; K18-F20 HydrophobicContact CD-CD1 4.41Å; K18-F20 HydrophobicContact CD-CE1 3.62Å; K18-F20 HydrophobicContact CD-CE2 4.44Å; K18-F20 HydrophobicContact CD-CZ 3.63Å; K18-F20 VanDerWaalsContact CE-CE1 3.47Å; K18-F20 HydrophobicContact CG-CD1 4.42Å; K18-F20 HydrophobicContact CG-CE1 4.01Å; K18-F20 HydrophobicContact CG-CE2 4.25Å; K18-F20 HydrophobicContact CG-CZ 3.9Å; K18-Y117 HydrophobicContact CB-CE1 4.23Å; K18-Y117 HydrophobicContact CD-CD1 4.25Å; K18-Y117 PolarHBondContact NZ-O 3.46Å; K18-L120 HydrophobicContact CB-CD1 4.39Å; K18-L120 HydrophobicContact CD-CB 3.74Å; K18-L120 HydrophobicContact CD-CD1 4.12Å; K18-D121 WeakPolarHBondContact CE-OD1 3.22Å; K18-D121 VanDerWaalsContact NZ-CA 3.27Å; K18-D121 IonicContact NZ-OD1 2.68Å; K18-D121 PolarHBondContact NZ-OD1 3.4Å; K18-D121 IonicContact NZ-OD2 2.61Å; K18-D121 PolarHBondContact NZ-OD2 2.83Å |
| 19 | D | 92.1 | Very high | 83.1 | Confident | 49 Ų | 49 | 52.3 Ų | 52.3 | 26% | 0.262 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 116.8 | 174.2 | -171.1 | -17.9 | 0 | 0 | 0 | 108.3 | Q4 Y17 R21 G22 D23 | Q4-D19 HydrophobicContact CG-CB 4.19Å; Y17-D19 HydrophobicContact CE1-CB 4.11Å; D19-R21 PolarHBondContact OD1-N 2.97Å; D19-G22 PolarHBondContact OD1-N 3.4Å; D19-D23 PolarHBondContact OD1-N 2.85Å; D19-D23 PolarHBondContact OD2-N 3.23Å; D19-D23 VanDerWaalsContact OD2-O 3.07Å |
| 20 | F | 90.8 | Very high | 82.8 | Confident | 20 Ų | 20 | 52.4 Ų | 52.4 | 9% | 0.088 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -89.2 | -16.3 | -177.8 | -63.4 | -80 | 0 | 0 | 0 | 112.8 | I2 S3 F5 K18 L124 Y126 | I2-F20 HydrophobicContact CG2-CD2 4.26Å; I2-F20 HydrophobicContact CG2-CE2 4.43Å; S3-F20 PolarHBondContact O-N 3.24Å; F5-F20 HydrophobicContact CB-CE2 3.73Å; F5-F20 HydrophobicContact CB-CZ 4.41Å; K18-F20 HydrophobicContact CB-CE2 4.45Å; K18-F20 HydrophobicContact CB-CZ 4.38Å; K18-F20 HydrophobicContact CD-CD1 4.41Å; K18-F20 HydrophobicContact CD-CE1 3.62Å; K18-F20 HydrophobicContact CD-CE2 4.44Å; K18-F20 HydrophobicContact CD-CZ 3.63Å; K18-F20 VanDerWaalsContact CE-CE1 3.47Å; K18-F20 HydrophobicContact CG-CD1 4.42Å; K18-F20 HydrophobicContact CG-CE1 4.01Å; K18-F20 HydrophobicContact CG-CE2 4.25Å; K18-F20 HydrophobicContact CG-CZ 3.9Å; F20-L124 HydrophobicContact CD1-CB 4.08Å; F20-L124 HydrophobicContact CE1-CB 3.39Å; F20-L124 HydrophobicContact CE1-CD1 4.21Å; F20-L124 HydrophobicContact CE1-CG 4.43Å; F20-L124 WeakPolarHBondContact CE1-O 3.2Å; F20-L124 HydrophobicContact CE2-CB 4.29Å; F20-L124 HydrophobicContact CE2-CD1 3.63Å; F20-L124 HydrophobicContact CZ-CB 3.52Å; F20-L124 HydrophobicContact CZ-CD1 3.41Å; F20-L124 VanDerWaalsContact CZ-CD1 3.41Å; F20-L124 HydrophobicContact CZ-CG 4.09Å; F20-Y126 WeakPolarHBondContact O-CD2 3.35Å |
| 21 | R | 87.3 | Confident | 82.8 | Confident | 67 Ų | 67 | 56 Ų | 56 | 25% | 0.253 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -114.6 | -15.9 | -170.9 | -59.4 | -65.5 | -74.1 | -139.5 | -9.3 | 113 | D19 D23 Y126 | D19-R21 PolarHBondContact OD1-N 2.97Å; R21-D23 VanDerWaalsContact C-N 3.26Å; R21-Y126 WeakPolarHBondContact CD-O 3.31Å; R21-Y126 VanDerWaalsContact NH1-CD1 3.34Å; R21-Y126 PolarHBondContact NH1-O 3.01Å |
| 22 | G | 80.6 | Confident | 82.7 | Confident | 62 Ų | 62 | 49.8 Ų | 49.8 | 64% | 0.639 | 28% | 0.277 | S | S | * | . | trans | 72.2 | 24.8 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112 | D19 S24 | D19-G22 PolarHBondContact OD1-N 3.4Å; G22-S24 PolarHBondContact O-N 3.16Å | ||
| 23 | D | 68.8 | Low | 82.7 | Confident | 56 Ų | 56 | 49.2 Ų | 49.2 | 30% | 0.299 | 27% | 0.271 | S | S | . | . | trans | -66.7 | 117.7 | 178.5 | -82 | -22.1 | 0 | 0 | 0 | 108.9 | S3 Q4 D19 R21 G25 | S3-D23 WeakPolarHBondContact CB-OD2 3.42Å; S3-D23 PolarHBondContact OG-OD2 3.26Å; Q4-D23 PolarHBondContact NE2-O 3.4Å; D19-D23 PolarHBondContact OD1-N 2.85Å; D19-D23 PolarHBondContact OD2-N 3.23Å; D19-D23 VanDerWaalsContact OD2-O 3.07Å; R21-D23 VanDerWaalsContact C-N 3.26Å; D23-G25 VanDerWaalsContact C-N 3.32Å; D23-G25 PolarHBondContact O-N 3.45Å | ||
| 24 | S | 55.1 | Low | 82.6 | Confident | 93 Ų | 93 | 47.6 Ų | 47.6 | 65% | 0.65 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 82.4 | -174.4 | 57.2 | 0 | 0 | 0 | 0 | 113.1 | G22 | G22-S24 PolarHBondContact O-N 3.16Š|
| 25 | G | 59.7 | Low | 82.4 | Confident | 15 Ų | 15 | 52.4 Ų | 52.4 | 16% | 0.155 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -144.3 | -27.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | D23 D28 | D23-G25 VanDerWaalsContact C-N 3.32Å; D23-G25 PolarHBondContact O-N 3.45Å; G25-D28 WeakPolarHBondContact O-CB 3.28Å; G25-D28 PolarHBondContact O-N 3.35Å |
| 26 | G | 64.9 | Low | 81.9 | Confident | 32 Ų | 32 | 53.9 Ų | 53.9 | 33% | 0.33 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | -153.8 | 175 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y17 D28 V29 | Y17-G26 VanDerWaalsContact CE2-O 3.22Å; Y17-G26 WeakPolarHBondContact CE2-O 3.25Å; Y17-G26 VanDerWaalsContact CZ-C 3.46Å; Y17-G26 VanDerWaalsContact CZ-O 3.27Å; Y17-G26 VanDerWaalsContact OH-CA 3.29Å; Y17-G26 WeakPolarHBondContact OH-CA 3.33Å; Y17-G26 PolarHBondContact OH-N 2.88Å; Y17-G26 PolarHBondContact OH-O 2.86Å; Y17-G26 VanDerWaalsContact OH-O 3.06Å; G26-D28 PolarHBondContact O-N 2.7Å; G26-D28 VanDerWaalsContact O-N 3.12Å; G26-V29 PolarHBondContact O-N 2.96Å |
| 27 | R | 64.4 | Low | 81.4 | Confident | 189 Ų | 189 | 54.6 Ų | 54.6 | 71% | 0.713 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -19.1 | 179.8 | -65.1 | -170.1 | -164.9 | -156.8 | 3.9 | 114.3 | V29 A30 E31 | R27-V29 PolarHBondContact O-N 2.82Å; R27-A30 PolarHBondContact O-N 3.07Å; R27-E31 PolarHBondContact O-N 2.7Å |
| 28 | D | 80.6 | Confident | 80.9 | Confident | 75 Ų | 75 | 57.5 Ų | 57.5 | 40% | 0.401 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.9 | -28.7 | 176.9 | -166.3 | 6.9 | 0 | 0 | 0 | 111.4 | G25 G26 A30 E31 L32 | G25-D28 WeakPolarHBondContact O-CB 3.28Å; G25-D28 PolarHBondContact O-N 3.35Å; G26-D28 PolarHBondContact O-N 2.7Å; G26-D28 VanDerWaalsContact O-N 3.12Å; D28-A30 PolarHBondContact O-N 3.48Å; D28-E31 PolarHBondContact O-N 3.01Å; D28-L32 VanDerWaalsContact O-CB 3.28Å; D28-L32 WeakPolarHBondContact O-CB 3.28Å; D28-L32 PolarHBondContact O-N 2.92Å |
| 29 | V | 84.4 | Confident | 80.3 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.3 | -39.6 | 177.4 | 178.8 | 0 | 0 | 0 | 0 | 112.4 | F6 G26 R27 L32 F33 R61 F63 T76 | F6-V29 HydrophobicContact CE1-CG1 4.07Å; G26-V29 PolarHBondContact O-N 2.96Å; R27-V29 PolarHBondContact O-N 2.82Å; V29-L32 PolarHBondContact O-N 2.98Å; V29-F33 PolarHBondContact O-N 2.88Å; V29-R61 VanDerWaalsContact CG2-NH1 3.32Å; V29-F63 HydrophobicContact CG1-CE1 3.61Å; V29-F63 HydrophobicContact CG1-CZ 4Å; V29-T76 HydrophobicContact CG1-CG2 3.97Å |
| 30 | A | 87.1 | Confident | 79.7 | Confident | 2 Ų | 2 | 60 Ų | 60 | 2% | 0.017 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.3 | -42.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F6 L8 P14 R27 D28 F33 Y34 | F6-A30 HydrophobicContact CD2-CB 4.09Å; F6-A30 HydrophobicContact CE2-CB 4.18Å; F6-A30 HydrophobicContact CG-CB 4.38Å; L8-A30 HydrophobicContact CD2-CB 3.92Å; P14-A30 HydrophobicContact CB-CB 4.49Å; R27-A30 PolarHBondContact O-N 3.07Å; D28-A30 PolarHBondContact O-N 3.48Å; A30-F33 PolarHBondContact O-N 2.61Å; A30-Y34 PolarHBondContact O-N 2.96Å |
| 31 | E | 87 | Confident | 78.8 | Confident | 125 Ų | 125 | 62.9 Ų | 62.9 | 58% | 0.584 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -64.1 | -42.9 | 175.6 | -171.8 | -178 | 160.7 | 0 | 0 | 111.4 | R27 D28 F33 Y34 R35 | R27-E31 PolarHBondContact O-N 2.7Å; D28-E31 PolarHBondContact O-N 3.01Å; E31-F33 VanDerWaalsContact C-N 3.34Å; E31-F33 PolarHBondContact O-N 2.94Å; E31-Y34 PolarHBondContact O-N 2.78Å; E31-R35 WeakPolarHBondContact O-CB 3.41Å; E31-R35 PolarHBondContact O-N 2.85Å |
| 32 | L | 86.9 | Confident | 77.3 | Confident | 21 Ų | 21 | 64.1 Ų | 64.1 | 11% | 0.11 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58.5 | -44.8 | 175.9 | 178.3 | 64.1 | 0 | 0 | 0 | 112 | D28 V29 K36 T51 H58 F63 | D28-L32 VanDerWaalsContact O-CB 3.28Å; D28-L32 WeakPolarHBondContact O-CB 3.28Å; D28-L32 PolarHBondContact O-N 2.92Å; V29-L32 PolarHBondContact O-N 2.98Å; L32-K36 WeakPolarHBondContact O-CG 3.44Å; L32-K36 PolarHBondContact O-N 2.93Å; L32-K36 VanDerWaalsContact O-N 3.11Å; L32-T51 HydrophobicContact CD2-CG2 4.1Å; L32-H58 HydrophobicContact CD2-CB 4.03Å; L32-F63 HydrophobicContact CD2-CZ 4.21Å; L32-F63 HydrophobicContact CG-CZ 4.46Å |
| 33 | F | 88.3 | Confident | 76.2 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.1 | -51.1 | 174.6 | 167.9 | -93.4 | 0 | 0 | 0 | 111 | F6 L8 V29 A30 E31 R35 K36 L37 M49 F63 H65 V74 | F6-F33 HydrophobicContact CE2-CB 4.14Å; F6-F33 HydrophobicContact CE2-CD1 4.04Å; F6-F33 HydrophobicContact CE2-CG 4.09Å; F6-F33 HydrophobicContact CZ-CB 3.94Å; F6-F33 HydrophobicContact CZ-CG 4.16Å; L8-F33 HydrophobicContact CD1-CD1 3.6Å; L8-F33 HydrophobicContact CD1-CE1 3.98Å; V29-F33 PolarHBondContact O-N 2.88Å; A30-F33 PolarHBondContact O-N 2.61Å; E31-F33 VanDerWaalsContact C-N 3.34Å; E31-F33 PolarHBondContact O-N 2.94Å; F33-R35 PolarHBondContact O-N 3.09Å; F33-K36 WeakPolarHBondContact O-CB 3.42Å; F33-K36 PolarHBondContact O-N 3.38Å; F33-L37 HydrophobicContact CE1-CD2 4.15Å; F33-L37 HydrophobicContact CZ-CD2 4.35Å; F33-L37 PolarHBondContact O-N 3.15Å; F33-M49 HydrophobicContact CD2-CE 3.41Å; F33-M49 VanDerWaalsContact CD2-CE 3.41Å; F33-M49 HydrophobicContact CE2-CE 3.04Å; F33-M49 HydrophobicContact CG-CE 4.44Å; F33-M49 HydrophobicContact CZ-CE 3.82Å; F33-F63 HydrophobicContact CB-CD1 3.79Å; F33-F63 HydrophobicContact CB-CE1 3.71Å; F33-F63 HydrophobicContact CB-CZ 4.37Å; F33-F63 HydrophobicContact CD2-CB 3.77Å; F33-F63 AromaticContact CD2-CD1 3.66Å; F33-F63 HydrophobicContact CD2-CD1 3.66Å; F33-F63 HydrophobicContact CD2-CE1 4.45Å; F33-F63 AromaticContact CD2-CG 3.84Å; F33-F63 HydrophobicContact CD2-CG 3.84Å; F33-F63 HydrophobicContact CE2-CB 4.19Å; F33-F63 HydrophobicContact CG-CD1 4.13Å; F33-H65 HydrophobicContact CE2-CB 3.84Å; F33-H65 AromaticContact CE2-CG 3.82Å; F33-H65 AromaticContact CE2-ND1 3.94Å; F33-H65 HydrophobicContact CZ-CB 3.74Å; F33-H65 AromaticContact CZ-CD2 3.87Å; F33-H65 AromaticContact CZ-CG 3.66Å; F33-V74 HydrophobicContact CD1-CG2 4.06Å; F33-V74 HydrophobicContact CD2-CG1 3.85Å; F33-V74 HydrophobicContact CD2-CG2 4.41Å; F33-V74 HydrophobicContact CE1-CG2 3.59Å; F33-V74 HydrophobicContact CE2-CG1 3.79Å; F33-V74 HydrophobicContact CE2-CG2 3.94Å; F33-V74 HydrophobicContact CG-CG1 4.31Å; F33-V74 HydrophobicContact CG-CG2 4.45Å; F33-V74 HydrophobicContact CZ-CG1 4.27Å; F33-V74 HydrophobicContact CZ-CG2 3.53Å |
| 34 | Y | 88.3 | Confident | 75.7 | Confident | 49 Ų | 49 | 72.6 Ų | 72.6 | 19% | 0.192 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.4 | -41.6 | -175.8 | -169.9 | -104.2 | 0 | 0 | 0 | 111.9 | L8 S10 K11 G12 A30 E31 K36 L37 M38 Y72 | L8-Y34 HydrophobicContact CD1-CD2 4.36Å; S10-Y34 PolarHBondContact O-OH 3.37Å; S10-Y34 VanDerWaalsContact O-OH 3.04Å; K11-Y34 WeakPolarHBondContact CA-OH 3.29Å; K11-Y34 VanDerWaalsContact O-CE1 3.29Å; K11-Y34 WeakPolarHBondContact O-CE1 3.42Å; K11-Y34 PolarHBondContact O-OH 3.09Å; G12-Y34 VanDerWaalsContact N-CE2 3.29Å; A30-Y34 PolarHBondContact O-N 2.96Å; E31-Y34 PolarHBondContact O-N 2.78Å; Y34-K36 VanDerWaalsContact C-N 3.3Å; Y34-K36 PolarHBondContact O-N 3.14Å; Y34-L37 WeakPolarHBondContact O-CB 3.36Å; Y34-L37 PolarHBondContact O-N 2.93Å; Y34-M38 HydrophobicContact CD1-CG 4.02Å; Y34-M38 HydrophobicContact CD2-CE 4.36Å; Y34-M38 HydrophobicContact CE1-CE 4.37Å; Y34-M38 HydrophobicContact CE1-CG 3.64Å; Y34-M38 HydrophobicContact CE1-SD 4.25Å; Y34-M38 HydrophobicContact CE2-CE 3.65Å; Y34-M38 HydrophobicContact CE2-CG 4.46Å; Y34-M38 WeakPolarHBondContact O-CG 3.44Å; Y34-M38 PolarHBondContact O-N 2.92Å; Y34-Y72 HydrophobicContact CE2-CE2 4.45Å |
| 35 | R | 87 | Confident | 76.1 | Confident | 154 Ų | 154 | 71.7 Ų | 71.7 | 58% | 0.581 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -60.8 | -39.5 | 175 | -174.7 | 177.3 | 66.5 | -155.4 | -3.1 | 112.2 | E31 F33 G39 | E31-R35 WeakPolarHBondContact O-CB 3.41Å; E31-R35 PolarHBondContact O-N 2.85Å; F33-R35 PolarHBondContact O-N 3.09Å; R35-G39 PolarHBondContact O-N 3.33Å |
| 36 | K | 84.4 | Confident | 76.4 | Confident | 60 Ų | 60 | 73.6 Ų | 73.6 | 26% | 0.261 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.2 | -45.3 | 174.6 | -79.8 | -174.8 | 166.8 | -154.7 | 0 | 111.5 | L32 F33 Y34 M38 G39 L40 M49 V50 T51 | L32-K36 WeakPolarHBondContact O-CG 3.44Å; L32-K36 PolarHBondContact O-N 2.93Å; L32-K36 VanDerWaalsContact O-N 3.11Å; F33-K36 WeakPolarHBondContact O-CB 3.42Å; F33-K36 PolarHBondContact O-N 3.38Å; Y34-K36 VanDerWaalsContact C-N 3.3Å; Y34-K36 PolarHBondContact O-N 3.14Å; K36-M38 VanDerWaalsContact C-N 3.3Å; K36-M38 PolarHBondContact O-N 3.5Å; K36-G39 PolarHBondContact O-N 3.45Å; K36-G39 VanDerWaalsContact O-N 3.07Å; K36-L40 WeakPolarHBondContact O-CG 3.49Å; K36-L40 PolarHBondContact O-N 2.9Å; K36-M49 HydrophobicContact CB-SD 4.11Å; K36-V50 PolarHBondContact NZ-O 3.14Å; K36-T51 VanDerWaalsContact NZ-CA 3.26Å |
| 37 | L | 85.4 | Confident | 76.6 | Confident | 16 Ų | 16 | 75.4 Ų | 75.4 | 8% | 0.084 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -58.3 | -43.5 | 178 | -173.8 | 67.6 | 0 | 0 | 0 | 111.5 | F33 Y34 G39 L40 M49 Y72 | F33-L37 HydrophobicContact CE1-CD2 4.15Å; F33-L37 HydrophobicContact CZ-CD2 4.35Å; F33-L37 PolarHBondContact O-N 3.15Å; Y34-L37 WeakPolarHBondContact O-CB 3.36Å; Y34-L37 PolarHBondContact O-N 2.93Å; L37-G39 VanDerWaalsContact C-N 3.31Å; L37-G39 PolarHBondContact O-N 2.99Å; L37-L40 PolarHBondContact O-N 2.95Å; L37-M49 HydrophobicContact CB-CE 4.47Å; L37-M49 HydrophobicContact CD1-CE 4.34Å; L37-Y72 HydrophobicContact CD2-CD1 4.02Å; L37-Y72 HydrophobicContact CD2-CE1 3.59Å; L37-Y72 HydrophobicContact CD2-CE2 4.15Å; L37-Y72 HydrophobicContact CD2-CG 4.47Å |
| 38 | M | 84.1 | Confident | 77.1 | Confident | 101 Ų | 101 | 68.8 Ų | 68.8 | 50% | 0.498 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -72.8 | -21.1 | 176.8 | -65.7 | -62 | 117.3 | 0 | 0 | 113.8 | Y34 K36 L40 | Y34-M38 HydrophobicContact CD1-CG 4.02Å; Y34-M38 HydrophobicContact CD2-CE 4.36Å; Y34-M38 HydrophobicContact CE1-CE 4.37Å; Y34-M38 HydrophobicContact CE1-CG 3.64Å; Y34-M38 HydrophobicContact CE1-SD 4.25Å; Y34-M38 HydrophobicContact CE2-CE 3.65Å; Y34-M38 HydrophobicContact CE2-CG 4.46Å; Y34-M38 WeakPolarHBondContact O-CG 3.44Å; Y34-M38 PolarHBondContact O-N 2.92Å; K36-M38 VanDerWaalsContact C-N 3.3Å; K36-M38 PolarHBondContact O-N 3.5Å; M38-L40 VanDerWaalsContact C-N 3.29Å |
| 39 | G | 79.8 | Confident | 76.8 | Confident | 68 Ų | 68 | 65.8 Ų | 65.8 | 70% | 0.701 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -80.7 | -9.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | R35 K36 L37 | R35-G39 PolarHBondContact O-N 3.33Å; K36-G39 PolarHBondContact O-N 3.45Å; K36-G39 VanDerWaalsContact O-N 3.07Å; L37-G39 VanDerWaalsContact C-N 3.31Å; L37-G39 PolarHBondContact O-N 2.99Å |
| 40 | L | 79.4 | Confident | 76.1 | Confident | 55 Ų | 55 | 68.7 Ų | 68.7 | 29% | 0.288 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -85.1 | 146.2 | 177 | -67.6 | 164.5 | 0 | 0 | 0 | 110.7 | K36 L37 M38 G42 E44 P46 M49 | K36-L40 WeakPolarHBondContact O-CG 3.49Å; K36-L40 PolarHBondContact O-N 2.9Å; L37-L40 PolarHBondContact O-N 2.95Å; M38-L40 VanDerWaalsContact C-N 3.29Å; L40-G42 PolarHBondContact O-N 2.82Å; L40-E44 WeakPolarHBondContact CB-O 3.48Å; L40-E44 WeakPolarHBondContact CD1-O 3.48Å; L40-P46 HydrophobicContact CD1-CG 4.07Å; L40-M49 HydrophobicContact CD1-SD 3.83Å |
| 41 | P | 71.7 | Confident | 75.1 | Confident | 81 Ų | 81 | 69.1 Ų | 69.1 | 53% | 0.526 | 40% | 0.399 | S | S | . | . | trans | -59.1 | 136.1 | 170.8 | 25.3 | -30.9 | 0 | 0 | 0 | 109.2 | D43 E44 | P41-D43 PolarHBondContact O-N 3.41Å; P41-E44 HydrophobicContact CG-CB 4.29Å; P41-E44 HydrophobicContact CG-CG 4.43Å; P41-E44 PolarHBondContact O-N 3.04Å | ||
| 42 | G | 55.6 | Low | 73.5 | Confident | 93 Ų | 93 | 69 Ų | 69 | 96% | 0.959 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -3.5 | -159.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | L40 | L40-G42 PolarHBondContact O-N 2.82Š|
| 43 | D | 57.3 | Low | 71.9 | Confident | 164 Ų | 164 | 71.6 Ų | 71.6 | 88% | 0.877 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.8 | -7 | 178 | -151.3 | 24.6 | 0 | 0 | 0 | 112.8 | P41 | P41-D43 PolarHBondContact O-N 3.41Š|
| 44 | E | 59.4 | Low | 69.9 | Low | 132 Ų | 132 | 73.9 Ų | 73.9 | 62% | 0.617 | 46% | 0.462 | S | S | * | . | trans | -114 | 86.3 | -179.8 | -63.6 | -174.8 | 170.9 | 0 | 0 | 110.1 | L40 P41 P46 | L40-E44 WeakPolarHBondContact CB-O 3.48Å; L40-E44 WeakPolarHBondContact CD1-O 3.48Å; P41-E44 HydrophobicContact CG-CB 4.29Å; P41-E44 HydrophobicContact CG-CG 4.43Å; P41-E44 PolarHBondContact O-N 3.04Å; E44-P46 VanDerWaalsContact O-CD 3.24Å; E44-P46 WeakPolarHBondContact O-CD 3.43Å | ||
| 45 | S | 63.3 | Low | 67.9 | Low | 73 Ų | 73 | 84.2 Ų | 84.2 | 51% | 0.51 | 50% | 0.501 | S | S | . | . | trans | -99 | 92.2 | 163.1 | 63 | 0 | 0 | 0 | 0 | 108.7 | V47 | S45-V47 PolarHBondContact O-N 3.2Š| ||
| 46 | P | 65.3 | Low | 66.2 | Low | 56 Ų | 56 | 86.5 Ų | 86.5 | 36% | 0.364 | 51% | 0.51 | S | S | . | . | trans | -66.7 | 128.4 | 179.5 | 29.4 | -31.8 | 0 | 0 | 0 | 108.5 | L40 E44 V48 M49 H65 | L40-P46 HydrophobicContact CD1-CG 4.07Å; E44-P46 VanDerWaalsContact O-CD 3.24Å; E44-P46 WeakPolarHBondContact O-CD 3.43Å; P46-V48 PolarHBondContact O-N 3.48Å; P46-V48 VanDerWaalsContact O-N 3.09Å; P46-M49 HydrophobicContact CG-CG 3.79Å; P46-H65 PolarHBondContact O-CE1 3.21Å | ||
| 47 | V | 68.9 | Low | 64.6 | Low | 69 Ų | 69 | 91.2 Ų | 91.2 | 42% | 0.418 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -53.7 | -33.7 | -177.8 | 178.5 | 0 | 0 | 0 | 0 | 111.9 | S45 I64 H65 L87 | S45-V47 PolarHBondContact O-N 3.2Å; V47-I64 WeakPolarHBondContact O-CA 3.48Å; V47-H65 PolarHBondContact O-N 3.22Å; V47-L87 HydrophobicContact CG1-CD1 3.37Å; V47-L87 HydrophobicContact CG1-CD2 3.18Å; V47-L87 HydrophobicContact CG1-CG 3.77Å |
| 48 | V | 74.1 | Confident | 63.1 | Low | 50 Ų | 50 | 91.9 Ų | 91.9 | 30% | 0.303 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 118.5 | 173 | -172.7 | 0 | 0 | 0 | 0 | 109.6 | P46 V50 H62 F63 I64 P83 | P46-V48 PolarHBondContact O-N 3.48Å; P46-V48 VanDerWaalsContact O-N 3.09Å; V48-V50 HydrophobicContact CG1-CG2 4.5Å; V48-H62 HydrophobicContact CG1-CB 4.43Å; V48-F63 CarbonylContact C-O 3.55Å; V48-F63 WeakPolarHBondContact CA-O 3.21Å; V48-I64 HydrophobicContact CG2-CG1 4.23Å; V48-P83 HydrophobicContact CG2-CB 3.6Å; V48-P83 HydrophobicContact CG2-CG 3.94Å |
| 49 | M | 75.5 | Confident | 62 | Low | 12 Ų | 12 | 92.2 Ų | 92.2 | 6% | 0.059 | 54% | 0.539 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 131.4 | 170.9 | -73.1 | -175.2 | -79.7 | 0 | 0 | 110.1 | F33 K36 L37 L40 P46 H62 F63 | F33-M49 HydrophobicContact CD2-CE 3.41Å; F33-M49 VanDerWaalsContact CD2-CE 3.41Å; F33-M49 HydrophobicContact CE2-CE 3.04Å; F33-M49 HydrophobicContact CG-CE 4.44Å; F33-M49 HydrophobicContact CZ-CE 3.82Å; K36-M49 HydrophobicContact CB-SD 4.11Å; L37-M49 HydrophobicContact CB-CE 4.47Å; L37-M49 HydrophobicContact CD1-CE 4.34Å; L40-M49 HydrophobicContact CD1-SD 3.83Å; P46-M49 HydrophobicContact CG-CG 3.79Å; M49-H62 CarbonylContact O-C 3.56Å; M49-H62 WeakPolarHBondContact O-CA 3.24Å; M49-F63 HydrophobicContact CB-CB 4.2Å; M49-F63 PolarHBondContact N-O 3.31Å; M49-F63 PolarHBondContact O-N 2.82Å |
| 50 | V | 70 | Confident | 61.5 | Low | 62 Ų | 62 | 90.6 Ų | 90.6 | 38% | 0.376 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 139.4 | 178.6 | -167.5 | 0 | 0 | 0 | 0 | 109.9 | K36 V48 T52 H62 | K36-V50 PolarHBondContact NZ-O 3.14Å; V48-V50 HydrophobicContact CG1-CG2 4.5Å; V50-T52 HydrophobicContact CG1-CG2 4.02Å; V50-T52 PolarHBondContact O-N 2.99Å; V50-H62 WeakPolarHBondContact CG2-ND1 3.32Å |
| 51 | T | 65.4 | Low | 61.5 | Low | 11 Ų | 11 | 88.8 Ų | 88.8 | 7% | 0.067 | 51% | 0.511 | C | S | . | . | trans | -82.9 | 105.6 | 160.9 | 46.4 | 0 | 0 | 0 | 0 | 110 | L32 K36 H58 G60 R61 F63 | L32-T51 HydrophobicContact CD2-CG2 4.1Å; K36-T51 VanDerWaalsContact NZ-CA 3.26Å; T51-H58 WeakPolarHBondContact CB-O 3.32Å; T51-H58 PolarHBondContact OG1-O 3.36Å; T51-G60 PolarHBondContact O-N 2.66Å; T51-G60 VanDerWaalsContact O-N 3.09Å; T51-R61 PolarHBondContact N-O 3.33Å; T51-R61 WeakPolarHBondContact OG1-CA 3.46Å; T51-R61 PolarHBondContact OG1-N 2.69Å; T51-R61 PolarHBondContact OG1-O 3.48Å; T51-F63 HydrophobicContact CG2-CE2 3.78Å | ||
| 52 | T | 53.2 | Low | 62.2 | Low | 121 Ų | 121 | 87.6 Ų | 87.6 | 74% | 0.742 | 50% | 0.499 | S | S | * | . | trans | -112.4 | 126.8 | 165.3 | 48.9 | 0 | 0 | 0 | 0 | 108.8 | V50 | V50-T52 HydrophobicContact CG1-CG2 4.02Å; V50-T52 PolarHBondContact O-N 2.99Å | ||
| 53 | G | 52.7 | Low | 63.9 | Low | 76 Ų | 76 | 83.2 Ų | 83.2 | 78% | 0.784 | 45% | 0.453 | S | S | * | . | S | Bend | trans | 86.4 | 47.6 | 158.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | D59 | G53-D59 PolarHBondContact N-OD1 3.09Å; G53-D59 VanDerWaalsContact N-OD1 3.15Å |
| 54 | G | 46.4 | Very low | 65.5 | Low | 49 Ų | 49 | 75.5 Ų | 75.5 | 51% | 0.505 | 41% | 0.412 | S | S | . | . | trans | -120.3 | 136.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R56 | G54-R56 PolarHBondContact O-N 2.93Š| ||
| 55 | R | 46.1 | Very low | 67.1 | Low | 266 Ų | 266 | 69.7 Ų | 69.7 | 100% | 1.004 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -64.8 | 24.7 | 176.1 | -77.6 | -176 | 176.8 | 178.2 | -0.7 | 115.3 | ||
| 56 | R | 51.6 | Low | 68.4 | Low | 201 Ų | 201 | 67.8 Ų | 67.8 | 76% | 0.758 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -137.9 | 163 | -179.1 | -70.3 | -171.2 | -178.2 | -179 | 1.2 | 111.3 | G54 H58 | G54-R56 PolarHBondContact O-N 2.93Å; R56-H58 PolarHBondContact O-N 3.45Å |
| 57 | H | 51.1 | Low | 69.6 | Low | 159 Ų | 159 | 73 Ų | 73 | 74% | 0.736 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | 16.1 | -176.6 | -80.4 | -16 | 0 | 0 | 0 | 118.9 | R61 | H57-R61 PolarHBondContact O-NH2 2.76Š|
| 58 | H | 53.9 | Low | 70.5 | Confident | 30 Ų | 30 | 73.2 Ų | 73.2 | 14% | 0.139 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | 9.9 | -179.2 | -58.9 | -75.8 | 0 | 0 | 0 | 113.7 | L32 T51 R56 R61 | L32-H58 HydrophobicContact CD2-CB 4.03Å; T51-H58 WeakPolarHBondContact CB-O 3.32Å; T51-H58 PolarHBondContact OG1-O 3.36Å; R56-H58 PolarHBondContact O-N 3.45Å; H58-R61 PolarHBondContact ND1-NH2 2.96Å |
| 59 | D | 60.5 | Low | 70.9 | Confident | 108 Ų | 108 | 74.6 Ų | 74.6 | 58% | 0.578 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | 136.8 | 176.5 | -155 | 27 | 0 | 0 | 0 | 110.8 | G53 | G53-D59 PolarHBondContact N-OD1 3.09Å; G53-D59 VanDerWaalsContact N-OD1 3.15Å |
| 60 | G | 69.3 | Low | 71.5 | Confident | 34 Ų | 34 | 76.1 Ų | 76.1 | 35% | 0.351 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79 | 20 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | T51 | T51-G60 PolarHBondContact O-N 2.66Å; T51-G60 VanDerWaalsContact O-N 3.09Å |
| 61 | R | 79.8 | Confident | 72.5 | Confident | 18 Ų | 18 | 73.2 Ų | 73.2 | 7% | 0.068 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -96.2 | 130.9 | 173.7 | -107.5 | -179 | -95.7 | -169.1 | -6.5 | 111.1 | V29 T51 H57 H58 | V29-R61 VanDerWaalsContact CG2-NH1 3.32Å; T51-R61 PolarHBondContact N-O 3.33Å; T51-R61 WeakPolarHBondContact OG1-CA 3.46Å; T51-R61 PolarHBondContact OG1-N 2.69Å; T51-R61 PolarHBondContact OG1-O 3.48Å; H57-R61 PolarHBondContact O-NH2 2.76Å; H58-R61 PolarHBondContact ND1-NH2 2.96Å |
| 62 | H | 87.3 | Confident | 73.8 | Confident | 55 Ų | 55 | 73.6 Ų | 73.6 | 26% | 0.255 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 130.5 | 173 | -56 | -79.7 | 0 | 0 | 0 | 109.4 | V48 M49 V50 I64 T76 T77 | V48-H62 HydrophobicContact CG1-CB 4.43Å; M49-H62 CarbonylContact O-C 3.56Å; M49-H62 WeakPolarHBondContact O-CA 3.24Å; V50-H62 WeakPolarHBondContact CG2-ND1 3.32Å; H62-I64 HydrophobicContact CB-CD1 4.03Å; H62-T76 CarbonylContact O-C 3.55Å; H62-T76 VanDerWaalsContact O-CA 3.25Å; H62-T76 WeakPolarHBondContact O-CA 3.37Å; H62-T77 HydrophobicContact CB-CG2 3.84Å; H62-T77 PolarHBondContact N-O 3.44Å; H62-T77 PolarHBondContact O-N 3.12Å |
| 63 | F | 90.1 | Very high | 75.8 | Confident | 1 Ų | 1 | 67.9 Ų | 67.9 | 0% | 0.004 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 123 | 169.3 | -62.2 | -91.3 | 0 | 0 | 0 | 108.5 | F6 V29 L32 F33 V48 M49 T51 V74 T76 | F6-F63 HydrophobicContact CZ-CD1 4.13Å; F6-F63 HydrophobicContact CZ-CE1 4.15Å; V29-F63 HydrophobicContact CG1-CE1 3.61Å; V29-F63 HydrophobicContact CG1-CZ 4Å; L32-F63 HydrophobicContact CD2-CZ 4.21Å; L32-F63 HydrophobicContact CG-CZ 4.46Å; F33-F63 HydrophobicContact CB-CD1 3.79Å; F33-F63 HydrophobicContact CB-CE1 3.71Å; F33-F63 HydrophobicContact CB-CZ 4.37Å; F33-F63 HydrophobicContact CD2-CB 3.77Å; F33-F63 AromaticContact CD2-CD1 3.66Å; F33-F63 HydrophobicContact CD2-CD1 3.66Å; F33-F63 HydrophobicContact CD2-CE1 4.45Å; F33-F63 AromaticContact CD2-CG 3.84Å; F33-F63 HydrophobicContact CD2-CG 3.84Å; F33-F63 HydrophobicContact CE2-CB 4.19Å; F33-F63 HydrophobicContact CG-CD1 4.13Å; V48-F63 CarbonylContact C-O 3.55Å; V48-F63 WeakPolarHBondContact CA-O 3.21Å; M49-F63 HydrophobicContact CB-CB 4.2Å; M49-F63 PolarHBondContact N-O 3.31Å; M49-F63 PolarHBondContact O-N 2.82Å; T51-F63 HydrophobicContact CG2-CE2 3.78Å; F63-V74 HydrophobicContact CB-CG1 4.41Å; F63-V74 HydrophobicContact CD1-CG1 4.16Å; F63-T76 HydrophobicContact CD1-CG2 3.56Å; F63-T76 HydrophobicContact CE1-CG2 3.62Å; F63-T76 HydrophobicContact CG-CG2 4.44Å |
| 64 | I | 92.1 | Very high | 77.8 | Confident | 3 Ų | 3 | 64.3 Ų | 64.3 | 2% | 0.015 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 129.7 | 172.4 | -58.7 | 81.9 | 0 | 0 | 0 | 106.6 | V47 V48 H62 V74 V75 T77 L86 L87 L90 | V47-I64 WeakPolarHBondContact O-CA 3.48Å; V48-I64 HydrophobicContact CG2-CG1 4.23Å; H62-I64 HydrophobicContact CB-CD1 4.03Å; I64-V74 WeakPolarHBondContact O-CA 3.38Å; I64-V75 HydrophobicContact CB-CG2 3.88Å; I64-V75 PolarHBondContact N-O 3.32Å; I64-V75 PolarHBondContact O-N 3.23Å; I64-T77 HydrophobicContact CD1-CG2 3.68Å; I64-L86 HydrophobicContact CB-CB 4.36Å; I64-L86 HydrophobicContact CD1-CD1 3.56Å; I64-L86 HydrophobicContact CG1-CB 4.44Å; I64-L86 HydrophobicContact CG1-CD1 3.96Å; I64-L86 HydrophobicContact CG2-CB 4.09Å; I64-L87 HydrophobicContact CG2-CD2 3.57Å; I64-L87 HydrophobicContact CG2-CG 3.81Å; I64-L90 HydrophobicContact CG2-CD1 4.25Å |
| 65 | H | 92.2 | Very high | 80 | Confident | 10 Ų | 10 | 62 Ų | 62 | 5% | 0.046 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 155.3 | -176.3 | 75 | -71.8 | 0 | 0 | 0 | 113.2 | F33 P46 V47 L73 V74 | F33-H65 HydrophobicContact CE2-CB 3.84Å; F33-H65 AromaticContact CE2-CG 3.82Å; F33-H65 AromaticContact CE2-ND1 3.94Å; F33-H65 HydrophobicContact CZ-CB 3.74Å; F33-H65 AromaticContact CZ-CD2 3.87Å; F33-H65 AromaticContact CZ-CG 3.66Å; P46-H65 PolarHBondContact O-CE1 3.21Å; V47-H65 PolarHBondContact O-N 3.22Å; H65-L73 VanDerWaalsContact CA-O 3.24Å; H65-L73 WeakPolarHBondContact CA-O 3.46Å; H65-L73 WeakPolarHBondContact CB-O 3.35Å; H65-V74 HydrophobicContact CB-CB 4.33Å; H65-V74 HydrophobicContact CB-CG1 4.2Å; H65-V74 HydrophobicContact CB-CG2 3.87Å |
| 66 | I | 92 | Very high | 82.2 | Confident | 33 Ų | 33 | 49.3 Ų | 49.3 | 17% | 0.169 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 152.2 | 164.2 | 66.9 | 171.7 | 0 | 0 | 0 | 109 | L73 L87 L90 A94 | I66-L73 HydrophobicContact CG1-CB 3.99Å; I66-L73 PolarHBondContact N-O 2.84Å; I66-L73 PolarHBondContact O-N 3.5Å; I66-L87 HydrophobicContact CG2-CD2 3.78Å; I66-L90 VanDerWaalsContact CD1-C 3.5Å; I66-L90 HydrophobicContact CD1-CB 3.83Å; I66-L90 WeakPolarHBondContact CD1-O 3.39Å; I66-L90 HydrophobicContact CG1-CB 3.97Å; I66-L90 HydrophobicContact CG1-CD1 4.46Å; I66-L90 HydrophobicContact CG2-CB 4.08Å; I66-L90 HydrophobicContact CG2-CD1 4.17Å; I66-A94 HydrophobicContact CD1-CB 4.32Å |
| 67 | R | 89.3 | Confident | 84 | Confident | 165 Ų | 165 | 39.8 Ų | 39.8 | 62% | 0.623 | 20% | 0.204 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 118.8 | 167.9 | -174.9 | 175.6 | 175.5 | 170.3 | -0.8 | 108.7 | L71 Y72 | R67-L71 WeakPolarHBondContact CA-O 3.47Å; R67-Y72 HydrophobicContact CB-CD1 4.27Å; R67-Y72 HydrophobicContact CB-CE1 4.21Å; R67-Y72 HydrophobicContact CG-CD1 4.36Å; R67-Y72 HydrophobicContact CG-CE1 4.06Å |
| 68 | H | 87.1 | Confident | 85.6 | Confident | 74 Ų | 74 | 35.5 Ų | 35.5 | 34% | 0.343 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 115.4 | 174.9 | -173.3 | -78.7 | 0 | 0 | 0 | 108.8 | S70 L71 L73 | H68-S70 PolarHBondContact O-N 2.88Å; H68-L71 PolarHBondContact N-O 3.43Å; H68-L71 PolarHBondContact O-N 3.49Å; H68-L73 HydrophobicContact CB-CD1 4.25Å |
| 69 | S | 84.1 | Confident | 86.9 | Confident | 78 Ų | 78 | 37.9 Ų | 37.9 | 55% | 0.545 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | -120.1 | -169.2 | -53.4 | 0 | 0 | 0 | 0 | 111.1 | ||
| 70 | S | 87.1 | Confident | 88 | Confident | 44 Ų | 44 | 40.7 Ų | 40.7 | 31% | 0.308 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 9 | 176.1 | 61.6 | 0 | 0 | 0 | 0 | 113.5 | S10 H68 | S10-S70 WeakPolarHBondContact CA-O 3.4Å; S10-S70 WeakPolarHBondContact CB-O 3.12Å; S10-S70 PolarHBondContact N-O 3.03Å; H68-S70 PolarHBondContact O-N 2.88Å |
| 71 | L | 92.1 | Very high | 88.8 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 145.3 | -176.5 | -58.9 | 176.7 | 0 | 0 | 0 | 111.2 | I7 L8 L15 R67 H68 L73 E106 I109 | I7-L71 HydrophobicContact CG2-CB 4.27Å; I7-L71 HydrophobicContact CG2-CD1 4.33Å; I7-L71 HydrophobicContact CG2-CD2 4.44Å; L8-L71 WeakPolarHBondContact O-CA 3.48Å; L15-L71 HydrophobicContact CD1-CD2 3.67Å; R67-L71 WeakPolarHBondContact CA-O 3.47Å; H68-L71 PolarHBondContact N-O 3.43Å; H68-L71 PolarHBondContact O-N 3.49Å; L71-L73 HydrophobicContact CB-CD1 4.09Å; L71-E106 HydrophobicContact CD2-CB 4.24Å; L71-I109 HydrophobicContact CD1-CG1 3.93Å |
| 72 | Y | 92.8 | Very high | 89.2 | Confident | 19 Ų | 19 | 43.1 Ų | 43.1 | 8% | 0.075 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 119.2 | 167.5 | -61.9 | -78.6 | 0 | 0 | 0 | 108.9 | I7 L8 Y34 L37 R67 | I7-Y72 CarbonylContact C-O 3.59Å; I7-Y72 VanDerWaalsContact CA-O 3.3Å; I7-Y72 WeakPolarHBondContact CA-O 3.17Å; L8-Y72 HydrophobicContact CB-CD2 4.49Å; L8-Y72 PolarHBondContact N-O 2.71Å; L8-Y72 PolarHBondContact O-N 3.15Å; Y34-Y72 HydrophobicContact CE2-CE2 4.45Å; L37-Y72 HydrophobicContact CD2-CD1 4.02Å; L37-Y72 HydrophobicContact CD2-CE1 3.59Å; L37-Y72 HydrophobicContact CD2-CE2 4.15Å; L37-Y72 HydrophobicContact CD2-CG 4.47Å; R67-Y72 HydrophobicContact CB-CD1 4.27Å; R67-Y72 HydrophobicContact CB-CE1 4.21Å; R67-Y72 HydrophobicContact CG-CD1 4.36Å; R67-Y72 HydrophobicContact CG-CE1 4.06Å |
| 73 | L | 95 | Very high | 89.3 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 125.6 | 171.2 | -72.3 | 70.6 | 0 | 0 | 0 | 107.3 | F5 I7 H65 I66 H68 L71 L90 A94 | F5-L73 HydrophobicContact CZ-CD2 4.48Å; I7-L73 HydrophobicContact CG1-CG 4.27Å; I7-L73 HydrophobicContact CG2-CD1 4.49Å; H65-L73 VanDerWaalsContact CA-O 3.24Å; H65-L73 WeakPolarHBondContact CA-O 3.46Å; H65-L73 WeakPolarHBondContact CB-O 3.35Å; I66-L73 HydrophobicContact CG1-CB 3.99Å; I66-L73 PolarHBondContact N-O 2.84Å; I66-L73 PolarHBondContact O-N 3.5Å; H68-L73 HydrophobicContact CB-CD1 4.25Å; L71-L73 HydrophobicContact CB-CD1 4.09Å; L73-L90 HydrophobicContact CB-CD2 4.01Å; L73-A94 HydrophobicContact CD2-CB 3.97Å |
| 74 | V | 94.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 136.8 | -169.5 | -168 | 0 | 0 | 0 | 0 | 110 | F5 F6 F33 F63 I64 H65 | F5-V74 WeakPolarHBondContact CA-O 3.36Å; F6-V74 HydrophobicContact CD2-CB 3.74Å; F6-V74 HydrophobicContact CD2-CG1 4.46Å; F6-V74 HydrophobicContact CD2-CG2 3.94Å; F6-V74 HydrophobicContact CE1-CB 4.19Å; F6-V74 HydrophobicContact CE1-CG1 4.04Å; F6-V74 HydrophobicContact CE2-CB 3.37Å; F6-V74 HydrophobicContact CE2-CG1 3.65Å; F6-V74 HydrophobicContact CE2-CG2 3.52Å; F6-V74 HydrophobicContact CG-CB 4.31Å; F6-V74 HydrophobicContact CZ-CB 3.62Å; F6-V74 HydrophobicContact CZ-CG1 3.4Å; F6-V74 HydrophobicContact CZ-CG2 4.19Å; F6-V74 PolarHBondContact N-O 3.49Å; F6-V74 PolarHBondContact O-N 3.12Å; F33-V74 HydrophobicContact CD1-CG2 4.06Å; F33-V74 HydrophobicContact CD2-CG1 3.85Å; F33-V74 HydrophobicContact CD2-CG2 4.41Å; F33-V74 HydrophobicContact CE1-CG2 3.59Å; F33-V74 HydrophobicContact CE2-CG1 3.79Å; F33-V74 HydrophobicContact CE2-CG2 3.94Å; F33-V74 HydrophobicContact CG-CG1 4.31Å; F33-V74 HydrophobicContact CG-CG2 4.45Å; F33-V74 HydrophobicContact CZ-CG1 4.27Å; F33-V74 HydrophobicContact CZ-CG2 3.53Å; F63-V74 HydrophobicContact CB-CG1 4.41Å; F63-V74 HydrophobicContact CD1-CG1 4.16Å; I64-V74 WeakPolarHBondContact O-CA 3.38Å; H65-V74 HydrophobicContact CB-CB 4.33Å; H65-V74 HydrophobicContact CB-CG1 4.2Å; H65-V74 HydrophobicContact CB-CG2 3.87Å |
| 75 | V | 93.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 150 | 164.3 | -69.4 | 0 | 0 | 0 | 0 | 110.5 | I2 Q4 F5 I64 L86 L90 | I2-V75 HydrophobicContact CG2-CB 4.17Å; I2-V75 HydrophobicContact CG2-CG1 4.05Å; Q4-V75 CarbonylContact O-C 3.51Å; Q4-V75 VanDerWaalsContact O-CA 3.28Å; Q4-V75 WeakPolarHBondContact O-CA 3.48Å; F5-V75 HydrophobicContact CB-CG1 4.39Å; F5-V75 HydrophobicContact CD2-CG1 3.75Å; I64-V75 HydrophobicContact CB-CG2 3.88Å; I64-V75 PolarHBondContact N-O 3.32Å; I64-V75 PolarHBondContact O-N 3.23Å; V75-L86 HydrophobicContact CG2-CB 4.06Å; V75-L86 HydrophobicContact CG2-CD1 4.2Å; V75-L86 HydrophobicContact CG2-CD2 4.44Å; V75-L86 HydrophobicContact CG2-CG 4.47Å; V75-L90 HydrophobicContact CG1-CD2 3.84Å; V75-L90 HydrophobicContact CG1-CG 4.39Å; V75-L90 HydrophobicContact CG2-CD1 4.17Å; V75-L90 HydrophobicContact CG2-CG 4.31Å |
| 76 | T | 91.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 146 | 171.2 | 63.5 | 0 | 0 | 0 | 0 | 111.1 | S3 Q4 F6 V29 H62 F63 | S3-T76 PolarHBondContact N-O 2.65Å; Q4-T76 VanDerWaalsContact CB-OG1 3.31Å; Q4-T76 WeakPolarHBondContact CB-OG1 3.39Å; Q4-T76 PolarHBondContact N-OG1 3.25Å; Q4-T76 PolarHBondContact O-N 3.18Å; Q4-T76 PolarHBondContact OE1-OG1 3.22Å; F6-T76 HydrophobicContact CE1-CG2 3.83Å; F6-T76 HydrophobicContact CZ-CG2 4.47Å; V29-T76 HydrophobicContact CG1-CG2 3.97Å; H62-T76 CarbonylContact O-C 3.55Å; H62-T76 VanDerWaalsContact O-CA 3.25Å; H62-T76 WeakPolarHBondContact O-CA 3.37Å; F63-T76 HydrophobicContact CD1-CG2 3.56Å; F63-T76 HydrophobicContact CE1-CG2 3.62Å; F63-T76 HydrophobicContact CG-CG2 4.44Å |
| 77 | T | 89.5 | Confident | 89.3 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.012 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 140.1 | 170.1 | 177.6 | 0 | 0 | 0 | 0 | 109.1 | M1 H62 I64 E79 L86 | M1-T77 WeakPolarHBondContact O-CB 3.29Å; M1-T77 PolarHBondContact O-OG1 3.06Å; H62-T77 HydrophobicContact CB-CG2 3.84Å; H62-T77 PolarHBondContact N-O 3.44Å; H62-T77 PolarHBondContact O-N 3.12Å; I64-T77 HydrophobicContact CD1-CG2 3.68Å; T77-E79 PolarHBondContact OG1-N 3.11Å; T77-E79 VanDerWaalsContact OG1-N 3.11Å; T77-E79 PolarHBondContact OG1-O 3.04Å; T77-L86 HydrophobicContact CG2-CD1 3.99Å |
| 78 | S | 83.6 | Confident | 89.4 | Confident | 68 Ų | 68 | 51.7 Ų | 51.7 | 48% | 0.476 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -95.9 | -10.8 | 167.7 | 50.9 | 0 | 0 | 0 | 0 | 112.3 | ||
| 79 | E | 82.5 | Confident | 89.8 | Confident | 80 Ų | 80 | 48.6 Ų | 48.6 | 37% | 0.374 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -99.7 | 159.3 | 180 | -62.5 | -179.9 | -179.8 | 0 | 0 | 111.7 | M1 T77 V81 | M1-E79 WeakPolarHBondContact CG-OE2 3.45Å; M1-E79 VanDerWaalsContact N-CD 3.34Å; M1-E79 PolarHBondContact N-OE2 2.82Å; T77-E79 PolarHBondContact OG1-N 3.11Å; T77-E79 VanDerWaalsContact OG1-N 3.11Å; T77-E79 PolarHBondContact OG1-O 3.04Å; E79-V81 VanDerWaalsContact C-N 3.27Å; E79-V81 HydrophobicContact CB-CG2 4.3Å; E79-V81 PolarHBondContact O-N 3.37Å |
| 80 | N | 82.7 | Confident | 90.3 | Very high | 168 Ų | 168 | 44.9 Ų | 44.9 | 90% | 0.898 | 25% | 0.248 | S | C | * | . | trans | -74.8 | 75.5 | 174.8 | -171 | 13.8 | 0 | 0 | 0 | 111.4 | ||||
| 81 | V | 85.5 | Confident | 90.6 | Very high | 44 Ų | 44 | 45.3 Ų | 45.3 | 27% | 0.267 | 25% | 0.251 | S | S | . | . | trans | -96.1 | 143.7 | 173.3 | -177.8 | 0 | 0 | 0 | 0 | 109.2 | E79 P83 L86 | E79-V81 VanDerWaalsContact C-N 3.27Å; E79-V81 HydrophobicContact CB-CG2 4.3Å; E79-V81 PolarHBondContact O-N 3.37Å; V81-P83 WeakPolarHBondContact O-CD 3.28Å; V81-P83 VanDerWaalsContact O-N 3.15Å; V81-L86 HydrophobicContact CB-CD1 4.33Å; V81-L86 HydrophobicContact CG1-CD1 4.17Å; V81-L86 HydrophobicContact CG1-CD2 4.22Å; V81-L86 HydrophobicContact CG1-CG 4.05Å | ||
| 82 | S | 88.8 | Confident | 90.6 | Very high | 58 Ų | 58 | 48.4 Ų | 48.4 | 41% | 0.406 | 26% | 0.263 | S | S | . | . | trans | -54.9 | 118.1 | 173.1 | 178.9 | 0 | 0 | 0 | 0 | 110.8 | F84 S85 | S82-F84 PolarHBondContact O-N 3.05Å; S82-S85 PolarHBondContact O-N 3.28Å | ||
| 83 | P | 88.9 | Confident | 90.7 | Very high | 46 Ų | 46 | 47.6 Ų | 47.6 | 30% | 0.299 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.3 | -33.1 | 178.2 | -25.8 | 35.9 | 0 | 0 | 0 | 112.6 | V48 V81 S85 L86 L87 | V48-P83 HydrophobicContact CG2-CB 3.6Å; V48-P83 HydrophobicContact CG2-CG 3.94Å; V81-P83 WeakPolarHBondContact O-CD 3.28Å; V81-P83 VanDerWaalsContact O-N 3.15Å; P83-S85 VanDerWaalsContact C-N 3.33Å; P83-S85 PolarHBondContact O-N 3.2Å; P83-L86 PolarHBondContact O-N 3.26Å; P83-L86 VanDerWaalsContact O-N 3.16Å; P83-L87 VanDerWaalsContact O-CG 3.29Å; P83-L87 WeakPolarHBondContact O-CG 3.29Å; P83-L87 PolarHBondContact O-N 3Å |
| 84 | F | 90.4 | Very high | 90.7 | Very high | 166 Ų | 166 | 47.7 Ų | 47.7 | 73% | 0.728 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -61.7 | -39.6 | 179.2 | -65.5 | -73 | 0 | 0 | 0 | 112.6 | S82 L86 L87 E88 | S82-F84 PolarHBondContact O-N 3.05Å; F84-L86 VanDerWaalsContact C-N 3.3Å; F84-L86 PolarHBondContact O-N 3Å; F84-L87 PolarHBondContact O-N 3.35Å; F84-E88 PolarHBondContact O-N 2.97Å |
| 85 | S | 90.8 | Very high | 90.6 | Very high | 74 Ų | 74 | 49.3 Ų | 49.3 | 52% | 0.517 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.7 | -36.1 | 176.8 | -56.1 | 0 | 0 | 0 | 0 | 111.9 | S82 P83 L89 | S82-S85 PolarHBondContact O-N 3.28Å; P83-S85 VanDerWaalsContact C-N 3.33Å; P83-S85 PolarHBondContact O-N 3.2Å; S85-L89 WeakPolarHBondContact O-CB 3.38Å; S85-L89 PolarHBondContact O-N 3.46Å |
| 86 | L | 93.3 | Very high | 90.6 | Very high | 8 Ų | 8 | 49.5 Ų | 49.5 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -72.8 | -35 | 176.9 | -63.6 | -178.8 | 0 | 0 | 0 | 112.1 | I2 I64 V75 T77 V81 P83 F84 L89 L90 | I2-L86 HydrophobicContact CD1-CD2 3.76Å; I2-L86 HydrophobicContact CG1-CD2 3.59Å; I64-L86 HydrophobicContact CB-CB 4.36Å; I64-L86 HydrophobicContact CD1-CD1 3.56Å; I64-L86 HydrophobicContact CG1-CB 4.44Å; I64-L86 HydrophobicContact CG1-CD1 3.96Å; I64-L86 HydrophobicContact CG2-CB 4.09Å; V75-L86 HydrophobicContact CG2-CB 4.06Å; V75-L86 HydrophobicContact CG2-CD1 4.2Å; V75-L86 HydrophobicContact CG2-CD2 4.44Å; V75-L86 HydrophobicContact CG2-CG 4.47Å; T77-L86 HydrophobicContact CG2-CD1 3.99Å; V81-L86 HydrophobicContact CB-CD1 4.33Å; V81-L86 HydrophobicContact CG1-CD1 4.17Å; V81-L86 HydrophobicContact CG1-CD2 4.22Å; V81-L86 HydrophobicContact CG1-CG 4.05Å; P83-L86 PolarHBondContact O-N 3.26Å; P83-L86 VanDerWaalsContact O-N 3.16Å; F84-L86 VanDerWaalsContact C-N 3.3Å; F84-L86 PolarHBondContact O-N 3Å; L86-L89 PolarHBondContact O-N 2.93Å; L86-L90 WeakPolarHBondContact O-CB 3.39Å; L86-L90 VanDerWaalsContact O-CG 3.3Å; L86-L90 WeakPolarHBondContact O-CG 3.16Å; L86-L90 PolarHBondContact O-N 2.89Å |
| 87 | L | 93 | Very high | 90.7 | Very high | 38 Ų | 38 | 49.6 Ų | 49.6 | 20% | 0.199 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.1 | -43.9 | 174 | -68.4 | 164.8 | 0 | 0 | 0 | 112.1 | V47 I64 I66 P83 F84 L89 L90 S91 | V47-L87 HydrophobicContact CG1-CD1 3.37Å; V47-L87 HydrophobicContact CG1-CD2 3.18Å; V47-L87 HydrophobicContact CG1-CG 3.77Å; I64-L87 HydrophobicContact CG2-CD2 3.57Å; I64-L87 HydrophobicContact CG2-CG 3.81Å; I66-L87 HydrophobicContact CG2-CD2 3.78Å; P83-L87 VanDerWaalsContact O-CG 3.29Å; P83-L87 WeakPolarHBondContact O-CG 3.29Å; P83-L87 PolarHBondContact O-N 3Å; F84-L87 PolarHBondContact O-N 3.35Å; L87-L89 VanDerWaalsContact C-N 3.34Å; L87-L90 PolarHBondContact O-N 3.43Å; L87-S91 WeakPolarHBondContact O-CB 3.22Å; L87-S91 PolarHBondContact O-N 3.19Å |
| 88 | E | 91.5 | Very high | 90.7 | Very high | 115 Ų | 115 | 50 Ų | 50 | 54% | 0.537 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.8 | -47.7 | 173.8 | -177.7 | 60 | -157.3 | 0 | 0 | 109.9 | F84 L90 S91 R92 | F84-E88 PolarHBondContact O-N 2.97Å; E88-L90 PolarHBondContact O-N 3.04Å; E88-S91 PolarHBondContact O-N 3.46Å; E88-R92 HydrophobicContact CG-CG 4.31Å; E88-R92 WeakPolarHBondContact O-CB 3.42Å; E88-R92 VanDerWaalsContact O-CG 3.24Å; E88-R92 WeakPolarHBondContact O-CG 3.45Å; E88-R92 PolarHBondContact O-N 3.14Å; E88-R92 WeakPolarHBondContact OE1-CD 3.48Å; E88-R92 WeakPolarHBondContact OE1-CG 3.41Å |
| 89 | L | 94.5 | Very high | 91.1 | Very high | 9 Ų | 9 | 47 Ų | 47 | 5% | 0.047 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.5 | -47.7 | 175.6 | 176.1 | 67.1 | 0 | 0 | 0 | 112.3 | I2 S85 L86 L87 S91 R92 L93 V123 L124 V129 T132 | I2-L89 HydrophobicContact CD1-CD2 3.25Å; S85-L89 WeakPolarHBondContact O-CB 3.38Å; S85-L89 PolarHBondContact O-N 3.46Å; L86-L89 PolarHBondContact O-N 2.93Å; L87-L89 VanDerWaalsContact C-N 3.34Å; L89-S91 VanDerWaalsContact C-N 3.33Å; L89-S91 PolarHBondContact O-N 2.94Å; L89-R92 PolarHBondContact O-N 2.93Å; L89-L93 HydrophobicContact CD1-CD1 4.24Å; L89-L93 HydrophobicContact CD1-CG 4.22Å; L89-L93 HydrophobicContact CG-CD1 4.02Å; L89-L93 HydrophobicContact CG-CG 4.41Å; L89-L93 WeakPolarHBondContact O-CB 3.49Å; L89-L93 WeakPolarHBondContact O-CG 3.24Å; L89-L93 PolarHBondContact O-N 3.29Å; L89-V123 HydrophobicContact CD1-CG1 4.47Å; L89-L124 HydrophobicContact CD2-CD2 4.25Å; L89-V129 HydrophobicContact CD1-CG1 4.01Å; L89-V129 HydrophobicContact CD1-CG2 3.78Å; L89-V129 HydrophobicContact CD2-CG2 3.64Å; L89-V129 HydrophobicContact CG-CG2 4.27Å; L89-T132 HydrophobicContact CD1-CG2 3.95Å |
| 90 | L | 95.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.6 | -42.5 | 178.2 | -78.7 | 178.3 | 0 | 0 | 0 | 111.7 | F5 I64 I66 L73 V75 L86 L87 E88 L93 A94 | F5-L90 HydrophobicContact CD2-CD2 4.19Å; F5-L90 HydrophobicContact CE2-CD2 3.81Å; I64-L90 HydrophobicContact CG2-CD1 4.25Å; I66-L90 VanDerWaalsContact CD1-C 3.5Å; I66-L90 HydrophobicContact CD1-CB 3.83Å; I66-L90 WeakPolarHBondContact CD1-O 3.39Å; I66-L90 HydrophobicContact CG1-CB 3.97Å; I66-L90 HydrophobicContact CG1-CD1 4.46Å; I66-L90 HydrophobicContact CG2-CB 4.08Å; I66-L90 HydrophobicContact CG2-CD1 4.17Å; L73-L90 HydrophobicContact CB-CD2 4.01Å; V75-L90 HydrophobicContact CG1-CD2 3.84Å; V75-L90 HydrophobicContact CG1-CG 4.39Å; V75-L90 HydrophobicContact CG2-CD1 4.17Å; V75-L90 HydrophobicContact CG2-CG 4.31Å; L86-L90 WeakPolarHBondContact O-CB 3.39Å; L86-L90 VanDerWaalsContact O-CG 3.3Å; L86-L90 WeakPolarHBondContact O-CG 3.16Å; L86-L90 PolarHBondContact O-N 2.89Å; L87-L90 PolarHBondContact O-N 3.43Å; E88-L90 PolarHBondContact O-N 3.04Å; L90-L93 PolarHBondContact O-N 2.73Å; L90-A94 PolarHBondContact O-N 2.9Å |
| 91 | S | 92.9 | Very high | 91.8 | Very high | 54 Ų | 54 | 35.5 Ų | 35.5 | 38% | 0.378 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.8 | -43.6 | 176.8 | -170.9 | 0 | 0 | 0 | 0 | 111.2 | L87 E88 L89 A94 T95 | L87-S91 WeakPolarHBondContact O-CB 3.22Å; L87-S91 PolarHBondContact O-N 3.19Å; E88-S91 PolarHBondContact O-N 3.46Å; L89-S91 VanDerWaalsContact C-N 3.33Å; L89-S91 PolarHBondContact O-N 2.94Å; S91-A94 WeakPolarHBondContact O-CB 3.12Å; S91-A94 PolarHBondContact O-N 3.07Å; S91-T95 PolarHBondContact O-N 3.41Å; S91-T95 VanDerWaalsContact O-N 3.07Å; S91-T95 PolarHBondContact O-OG1 3.31Å |
| 92 | R | 92.5 | Very high | 91.9 | Very high | 66 Ų | 66 | 33.6 Ų | 33.6 | 25% | 0.249 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.4 | -39.7 | 175.9 | -68.2 | -59.3 | -58.3 | -177.7 | 2.9 | 112 | E88 L89 T95 L96 | E88-R92 HydrophobicContact CG-CG 4.31Å; E88-R92 WeakPolarHBondContact O-CB 3.42Å; E88-R92 VanDerWaalsContact O-CG 3.24Å; E88-R92 WeakPolarHBondContact O-CG 3.45Å; E88-R92 PolarHBondContact O-N 3.14Å; E88-R92 WeakPolarHBondContact OE1-CD 3.48Å; E88-R92 WeakPolarHBondContact OE1-CG 3.41Å; L89-R92 PolarHBondContact O-N 2.93Å; R92-T95 PolarHBondContact O-N 3.39Å; R92-L96 VanDerWaalsContact O-CB 3.32Å; R92-L96 WeakPolarHBondContact O-CB 3.16Å; R92-L96 PolarHBondContact O-N 2.79Å |
| 93 | L | 94.9 | Very high | 91.8 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.7 | -42.2 | 173.5 | -82.2 | 172.5 | 0 | 0 | 0 | 111.3 | F5 L89 L90 T95 L96 L97 L120 V123 | F5-L93 HydrophobicContact CD2-CD1 4.19Å; F5-L93 HydrophobicContact CE2-CD1 3.8Å; F5-L93 HydrophobicContact CZ-CD1 4.44Å; L89-L93 HydrophobicContact CD1-CD1 4.24Å; L89-L93 HydrophobicContact CD1-CG 4.22Å; L89-L93 HydrophobicContact CG-CD1 4.02Å; L89-L93 HydrophobicContact CG-CG 4.41Å; L89-L93 WeakPolarHBondContact O-CB 3.49Å; L89-L93 WeakPolarHBondContact O-CG 3.24Å; L89-L93 PolarHBondContact O-N 3.29Å; L90-L93 PolarHBondContact O-N 2.73Å; L93-T95 PolarHBondContact O-N 3.08Å; L93-L96 HydrophobicContact CD2-CD2 4.35Å; L93-L96 PolarHBondContact O-N 2.87Å; L93-L97 WeakPolarHBondContact O-CB 3.24Å; L93-L97 WeakPolarHBondContact O-CG 3.3Å; L93-L97 PolarHBondContact O-N 3.24Å; L93-L120 HydrophobicContact CD2-CD2 4.32Å; L93-V123 HydrophobicContact CD2-CB 4.35Å; L93-V123 HydrophobicContact CD2-CG1 3.86Å; L93-V123 HydrophobicContact CD2-CG2 4.29Å |
| 94 | A | 94.4 | Very high | 91.7 | Very high | 3 Ų | 3 | 33 Ų | 33 | 3% | 0.025 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.4 | -47 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I66 L73 L90 S91 L96 L97 G98 L104 | I66-A94 HydrophobicContact CD1-CB 4.32Å; L73-A94 HydrophobicContact CD2-CB 3.97Å; L90-A94 PolarHBondContact O-N 2.9Å; S91-A94 WeakPolarHBondContact O-CB 3.12Å; S91-A94 PolarHBondContact O-N 3.07Å; A94-L96 PolarHBondContact O-N 2.96Å; A94-L97 PolarHBondContact O-N 3.18Å; A94-G98 PolarHBondContact O-N 2.86Å; A94-L104 HydrophobicContact CB-CD1 3.99Å; A94-L104 WeakPolarHBondContact O-CD1 3.31Å |
| 95 | T | 92.1 | Very high | 91.7 | Very high | 35 Ų | 35 | 26 Ų | 26 | 22% | 0.215 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.8 | -46.3 | 175.5 | -53.8 | 0 | 0 | 0 | 0 | 111.9 | S91 R92 L93 L97 G98 D99 E285 | S91-T95 PolarHBondContact O-N 3.41Å; S91-T95 VanDerWaalsContact O-N 3.07Å; S91-T95 PolarHBondContact O-OG1 3.31Å; R92-T95 PolarHBondContact O-N 3.39Å; L93-T95 PolarHBondContact O-N 3.08Å; T95-L97 PolarHBondContact O-N 3.04Å; T95-G98 CarbonylContact O-C 3.58Å; T95-G98 WeakPolarHBondContact O-CA 3.38Å; T95-G98 PolarHBondContact O-N 3.34Å; T95-G98 VanDerWaalsContact O-N 3.07Å; T95-D99 PolarHBondContact O-N 3.27Å; T95-E285 HydrophobicContact CG2-CB 3.92Å; T95-E285 HydrophobicContact CG2-CG 4.43Å |
| 96 | L | 93.3 | Very high | 91.8 | Very high | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.016 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61 | -46.9 | 179.4 | -179.3 | 70.8 | 0 | 0 | 0 | 112.2 | R92 L93 A94 G98 D99 Y100 L119 V123 L137 | R92-L96 VanDerWaalsContact O-CB 3.32Å; R92-L96 WeakPolarHBondContact O-CB 3.16Å; R92-L96 PolarHBondContact O-N 2.79Å; L93-L96 HydrophobicContact CD2-CD2 4.35Å; L93-L96 PolarHBondContact O-N 2.87Å; A94-L96 PolarHBondContact O-N 2.96Å; L96-G98 PolarHBondContact O-N 2.99Å; L96-D99 PolarHBondContact O-N 3.45Å; L96-D99 VanDerWaalsContact O-N 3.14Å; L96-Y100 HydrophobicContact CD1-CD2 3.85Å; L96-Y100 HydrophobicContact CD1-CE2 3.62Å; L96-Y100 HydrophobicContact CG-CD2 4.26Å; L96-Y100 HydrophobicContact CG-CE2 4.42Å; L96-Y100 WeakPolarHBondContact O-CD2 3.48Å; L96-Y100 PolarHBondContact O-N 3.41Å; L96-L119 HydrophobicContact CD2-CD2 4.46Å; L96-V123 HydrophobicContact CD2-CG2 3.53Å; L96-L137 HydrophobicContact CD1-CD1 3.72Å; L96-L137 HydrophobicContact CD2-CD1 3.56Å; L96-L137 HydrophobicContact CG-CD1 4.26Å |
| 97 | L | 93.8 | Very high | 91.6 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.6 | -35.3 | 175 | -67.9 | 177.3 | 0 | 0 | 0 | 110.9 | I7 L93 A94 T95 C101 L104 V116 L119 | I7-L97 HydrophobicContact CD1-CD1 3.86Å; L93-L97 WeakPolarHBondContact O-CB 3.24Å; L93-L97 WeakPolarHBondContact O-CG 3.3Å; L93-L97 PolarHBondContact O-N 3.24Å; A94-L97 PolarHBondContact O-N 3.18Å; T95-L97 PolarHBondContact O-N 3.04Å; L97-C101 WeakPolarHBondContact O-CA 3.39Å; L97-C101 WeakPolarHBondContact O-CB 3.35Å; L97-C101 PolarHBondContact O-N 2.81Å; L97-L104 HydrophobicContact CB-CD1 4.43Å; L97-L104 HydrophobicContact CB-CD2 3.68Å; L97-V116 HydrophobicContact CD2-CB 4.43Å; L97-V116 HydrophobicContact CD2-CG1 4.01Å; L97-V116 HydrophobicContact CD2-CG2 4.1Å; L97-L119 HydrophobicContact CD2-CD1 3.92Å |
| 98 | G | 90.6 | Very high | 91.5 | Very high | 12 Ų | 12 | 26.5 Ų | 26.5 | 12% | 0.124 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.9 | -38.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | A94 T95 L96 G102 | A94-G98 PolarHBondContact O-N 2.86Å; T95-G98 CarbonylContact O-C 3.58Å; T95-G98 WeakPolarHBondContact O-CA 3.38Å; T95-G98 PolarHBondContact O-N 3.34Å; T95-G98 VanDerWaalsContact O-N 3.07Å; L96-G98 PolarHBondContact O-N 2.99Å; G98-G102 WeakPolarHBondContact CA-O 3.3Å; G98-G102 CarbonylContact O-C 3.58Å; G98-G102 WeakPolarHBondContact O-CA 3.32Å; G98-G102 PolarHBondContact O-N 3.29Å |
| 99 | D | 90.3 | Very high | 91.6 | Very high | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.6 | -37.9 | 176.7 | -76.9 | -22.5 | 0 | 0 | 0 | 112.2 | T95 L96 T134 P180 V181 G284 E285 | T95-D99 PolarHBondContact O-N 3.27Å; L96-D99 PolarHBondContact O-N 3.45Å; L96-D99 VanDerWaalsContact O-N 3.14Å; D99-T134 HydrophobicContact CB-CG2 4.06Å; D99-T134 PolarHBondContact OD2-OG1 2.92Å; D99-P180 CarbonylContact O-C 3.58Å; D99-P180 VanDerWaalsContact O-CA 3.29Å; D99-P180 WeakPolarHBondContact O-CA 3.34Å; D99-V181 HydrophobicContact CB-CB 4.46Å; D99-V181 HydrophobicContact CB-CG2 3.81Å; D99-V181 PolarHBondContact O-N 2.79Å; D99-G284 WeakPolarHBondContact OD1-CA 3.37Å; D99-E285 PolarHBondContact OD1-N 2.82Å; D99-E285 PolarHBondContact OD2-N 2.82Å |
| 100 | Y | 90.8 | Very high | 91.5 | Very high | 4 Ų | 4 | 23.5 Ų | 23.5 | 2% | 0.016 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -84.8 | -41.5 | 179.4 | -84.6 | -99.5 | 0 | 0 | 0 | 113.3 | L96 L115 L119 T134 L137 R138 I141 A145 P180 L182 | L96-Y100 HydrophobicContact CD1-CD2 3.85Å; L96-Y100 HydrophobicContact CD1-CE2 3.62Å; L96-Y100 HydrophobicContact CG-CD2 4.26Å; L96-Y100 HydrophobicContact CG-CE2 4.42Å; L96-Y100 WeakPolarHBondContact O-CD2 3.48Å; L96-Y100 PolarHBondContact O-N 3.41Å; Y100-L115 HydrophobicContact CD1-CD1 4.12Å; Y100-L119 HydrophobicContact CD1-CD1 4.15Å; Y100-L119 HydrophobicContact CD1-CD2 3.93Å; Y100-L119 HydrophobicContact CD1-CG 4.45Å; Y100-L119 HydrophobicContact CD2-CD1 4.22Å; Y100-L119 HydrophobicContact CD2-CD2 3.86Å; Y100-L119 HydrophobicContact CE1-CD2 3.87Å; Y100-L119 HydrophobicContact CE2-CD2 3.84Å; Y100-L119 HydrophobicContact CG-CD1 3.77Å; Y100-L119 HydrophobicContact CG-CD2 3.92Å; Y100-L119 HydrophobicContact CG-CG 4.42Å; Y100-T134 HydrophobicContact CD2-CG2 4.29Å; Y100-T134 HydrophobicContact CE2-CG2 3.68Å; Y100-T134 PolarHBondContact OH-O 3.2Å; Y100-L137 WeakPolarHBondContact OH-CB 3.44Å; Y100-R138 VanDerWaalsContact OH-CA 3.3Å; Y100-R138 WeakPolarHBondContact OH-CA 3.46Å; Y100-R138 PolarHBondContact OH-N 2.82Å; Y100-I141 HydrophobicContact CD1-CG2 4.32Å; Y100-I141 HydrophobicContact CE1-CB 4Å; Y100-I141 HydrophobicContact CE1-CG1 3.87Å; Y100-I141 HydrophobicContact CE1-CG2 3.93Å; Y100-A145 WeakPolarHBondContact O-CB 3.49Å; Y100-P180 WeakPolarHBondContact O-CB 3.43Å; Y100-L182 HydrophobicContact CD1-CD1 3.61Å; Y100-L182 HydrophobicContact CE1-CD1 3.13Å; Y100-L182 HydrophobicContact CE1-CG 4.36Å; Y100-L182 HydrophobicContact CE2-CD1 4.49Å; Y100-L182 HydrophobicContact CG-CD1 4.46Å |
| 101 | C | 90.3 | Very high | 91.4 | Very high | 4 Ų | 4 | 29.2 Ų | 29.2 | 3% | 0.027 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -102.1 | -13.4 | -172.6 | -55.2 | 0 | 0 | 0 | 0 | 113.6 | L97 T108 N112 | L97-C101 WeakPolarHBondContact O-CA 3.39Å; L97-C101 WeakPolarHBondContact O-CB 3.35Å; L97-C101 PolarHBondContact O-N 2.81Å; C101-T108 HydrophobicContact CB-CG2 3.76Å; C101-T108 WeakPolarHBondContact O-CG2 3.39Å; C101-N112 HydrophobicContact CB-CB 4.42Å |
| 102 | G | 87.8 | Confident | 91.4 | Very high | 4 Ų | 4 | 26.9 Ų | 26.9 | 4% | 0.041 | 16% | 0.157 | C | C | . | . | S | Bend | trans | 85.9 | -158 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G98 L104 S178 | G98-G102 WeakPolarHBondContact CA-O 3.3Å; G98-G102 CarbonylContact O-C 3.58Å; G98-G102 WeakPolarHBondContact O-CA 3.32Å; G98-G102 PolarHBondContact O-N 3.29Å; G102-L104 PolarHBondContact O-N 3.46Å; G102-S178 CarbonylContact C-O 3.52Å; G102-S178 WeakPolarHBondContact CA-O 3.44Å |
| 103 | S | 85.8 | Confident | 91.6 | Very high | 78 Ų | 78 | 26 Ų | 26 | 55% | 0.545 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -48.5 | 116.7 | -177.5 | -165.6 | 0 | 0 | 0 | 0 | 112.8 | G105 T108 S178 | S103-G105 PolarHBondContact O-N 2.83Å; S103-T108 WeakPolarHBondContact O-CB 3.39Å; S103-T108 PolarHBondContact O-OG1 2.83Å; S103-S178 PolarHBondContact N-O 2.82Å |
| 104 | L | 88.3 | Confident | 91.6 | Very high | 14 Ų | 14 | 29 Ų | 29 | 7% | 0.073 | 18% | 0.184 | C | C | . | . | trans | -69.1 | 115.9 | -179.1 | -72 | -172.4 | 0 | 0 | 0 | 111.5 | A94 L97 G102 I109 | A94-L104 HydrophobicContact CB-CD1 3.99Å; A94-L104 WeakPolarHBondContact O-CD1 3.31Å; L97-L104 HydrophobicContact CB-CD1 4.43Å; L97-L104 HydrophobicContact CB-CD2 3.68Å; G102-L104 PolarHBondContact O-N 3.46Å; L104-I109 HydrophobicContact CD2-CD1 3.97Å | ||
| 105 | G | 90.1 | Very high | 91.6 | Very high | 17 Ų | 17 | 29 Ų | 29 | 18% | 0.175 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -159 | 166.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | S103 G107 T108 I109 | S103-G105 PolarHBondContact O-N 2.83Å; G105-G107 VanDerWaalsContact C-N 3.33Å; G105-G107 PolarHBondContact O-N 2.84Å; G105-T108 WeakPolarHBondContact O-CB 3.47Å; G105-T108 PolarHBondContact O-N 2.71Å; G105-I109 PolarHBondContact O-N 2.76Å |
| 106 | E | 91.6 | Very high | 91.8 | Very high | 76 Ų | 76 | 27.3 Ų | 27.3 | 36% | 0.355 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -52.8 | -49.4 | -177.2 | -178.7 | 175.9 | 167.1 | 0 | 0 | 112.1 | L15 L71 T108 I109 S110 | L15-E106 HydrophobicContact CD1-CB 4.27Å; L15-E106 HydrophobicContact CD1-CG 3.91Å; L15-E106 HydrophobicContact CD2-CG 4.04Å; L71-E106 HydrophobicContact CD2-CB 4.24Å; E106-T108 VanDerWaalsContact C-N 3.28Å; E106-T108 PolarHBondContact O-N 2.9Å; E106-I109 PolarHBondContact O-N 2.88Å; E106-S110 WeakPolarHBondContact O-CB 3.2Å; E106-S110 PolarHBondContact O-N 2.96Å; E106-S110 PolarHBondContact O-OG 2.88Å |
| 107 | G | 90.3 | Very high | 91.9 | Very high | 35 Ų | 35 | 30.9 Ų | 30.9 | 36% | 0.361 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63.3 | -30.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | G105 R111 | G105-G107 VanDerWaalsContact C-N 3.33Å; G105-G107 PolarHBondContact O-N 2.84Å; G107-R111 WeakPolarHBondContact O-CG 3.3Å; G107-R111 PolarHBondContact O-N 2.72Å; G107-R111 PolarHBondContact O-NE 3.44Å; G107-R111 VanDerWaalsContact O-NE 3.11Å; G107-R111 PolarHBondContact O-NH2 2.85Å |
| 108 | T | 91.1 | Very high | 92 | Very high | 21 Ų | 21 | 32.4 Ų | 32.4 | 13% | 0.129 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -72.8 | -47.7 | 177.9 | -56.8 | 0 | 0 | 0 | 0 | 110.8 | C101 S103 G105 E106 R111 N112 | C101-T108 HydrophobicContact CB-CG2 3.76Å; C101-T108 WeakPolarHBondContact O-CG2 3.39Å; S103-T108 WeakPolarHBondContact O-CB 3.39Å; S103-T108 PolarHBondContact O-OG1 2.83Å; G105-T108 WeakPolarHBondContact O-CB 3.47Å; G105-T108 PolarHBondContact O-N 2.71Å; E106-T108 VanDerWaalsContact C-N 3.28Å; E106-T108 PolarHBondContact O-N 2.9Å; T108-R111 PolarHBondContact O-N 2.95Å; T108-N112 WeakPolarHBondContact O-CB 3.38Å; T108-N112 PolarHBondContact O-N 3.48Å; T108-N112 PolarHBondContact O-ND2 3.26Å |
| 109 | I | 93.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.6 | -47.2 | 179 | -65 | -60.2 | 0 | 0 | 0 | 110.6 | I7 L15 I16 L71 L104 G105 E106 R111 N112 V113 V116 | I7-I109 HydrophobicContact CD1-CD1 4.45Å; L15-I109 HydrophobicContact CB-CG2 3.99Å; L15-I109 HydrophobicContact CD1-CB 4.37Å; L15-I109 HydrophobicContact CD1-CG2 4.27Å; I16-I109 HydrophobicContact CD1-CG2 4.2Å; I16-I109 HydrophobicContact CG1-CG2 3.69Å; L71-I109 HydrophobicContact CD1-CG1 3.93Å; L104-I109 HydrophobicContact CD2-CD1 3.97Å; G105-I109 PolarHBondContact O-N 2.76Å; E106-I109 PolarHBondContact O-N 2.88Å; I109-R111 PolarHBondContact O-N 2.78Å; I109-N112 CarbonylContact O-C 3.55Å; I109-N112 PolarHBondContact O-N 2.8Å; I109-V113 WeakPolarHBondContact O-CG2 3.21Å; I109-V113 PolarHBondContact O-N 2.86Å; I109-V113 VanDerWaalsContact O-N 3.17Å; I109-V116 HydrophobicContact CD1-CG2 4.16Å |
| 110 | S | 92.7 | Very high | 92.5 | Very high | 61 Ų | 61 | 31.8 Ų | 31.8 | 43% | 0.427 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62.1 | -27.8 | -179.3 | -60.8 | 0 | 0 | 0 | 0 | 113.7 | E106 V113 | E106-S110 WeakPolarHBondContact O-CB 3.2Å; E106-S110 PolarHBondContact O-N 2.96Å; E106-S110 PolarHBondContact O-OG 2.88Å; S110-V113 WeakPolarHBondContact O-CG2 3.45Å |
| 111 | R | 92.6 | Very high | 92.7 | Very high | 120 Ų | 120 | 36.1 Ų | 36.1 | 45% | 0.453 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -81.4 | -24.4 | 174.5 | -75.2 | -175.2 | -70.1 | -107.4 | -0 | 113.6 | G107 T108 I109 V146 S148 | G107-R111 WeakPolarHBondContact O-CG 3.3Å; G107-R111 PolarHBondContact O-N 2.72Å; G107-R111 PolarHBondContact O-NE 3.44Å; G107-R111 VanDerWaalsContact O-NE 3.11Å; G107-R111 PolarHBondContact O-NH2 2.85Å; T108-R111 PolarHBondContact O-N 2.95Å; I109-R111 PolarHBondContact O-N 2.78Å; R111-V146 HydrophobicContact CB-CB 4.48Å; R111-V146 HydrophobicContact CB-CG1 4.42Å; R111-S148 PolarHBondContact NH2-OG 3.15Å |
| 112 | N | 93.6 | Very high | 92.9 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -111.9 | 23.8 | -172.5 | -69.8 | -78.4 | 0 | 0 | 0 | 112.6 | C101 T108 I109 A114 L115 V116 A145 V146 | C101-N112 HydrophobicContact CB-CB 4.42Å; T108-N112 WeakPolarHBondContact O-CB 3.38Å; T108-N112 PolarHBondContact O-N 3.48Å; T108-N112 PolarHBondContact O-ND2 3.26Å; I109-N112 CarbonylContact O-C 3.55Å; I109-N112 PolarHBondContact O-N 2.8Å; N112-A114 VanDerWaalsContact C-N 3.29Å; N112-A114 PolarHBondContact O-N 3.31Å; N112-L115 HydrophobicContact CB-CB 4.45Å; N112-L115 WeakPolarHBondContact O-CB 3.41Å; N112-L115 PolarHBondContact O-N 2.96Å; N112-L115 VanDerWaalsContact O-N 3.1Å; N112-V116 VanDerWaalsContact O-CG2 3.32Å; N112-V116 WeakPolarHBondContact O-CG2 3.48Å; N112-V116 PolarHBondContact O-N 3.45Å; N112-A145 WeakPolarHBondContact OD1-CA 3.49Å; N112-V146 PolarHBondContact ND2-O 2.66Å; N112-V146 VanDerWaalsContact ND2-O 3.11Å; N112-V146 PolarHBondContact OD1-N 3.12Å |
| 113 | V | 95.4 | Very high | 93.3 | Very high | 49 Ų | 49 | 39.1 Ų | 39.1 | 30% | 0.297 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -54.1 | -42.9 | -174.5 | 173.8 | 0 | 0 | 0 | 0 | 112.7 | I16 I109 S110 V116 Y117 | I16-V113 HydrophobicContact CD1-CB 4.28Å; I16-V113 HydrophobicContact CD1-CG1 3.9Å; I16-V113 HydrophobicContact CD1-CG2 4.14Å; I109-V113 WeakPolarHBondContact O-CG2 3.21Å; I109-V113 PolarHBondContact O-N 2.86Å; I109-V113 VanDerWaalsContact O-N 3.17Å; S110-V113 WeakPolarHBondContact O-CG2 3.45Å; V113-V116 PolarHBondContact O-N 2.99Å; V113-Y117 HydrophobicContact CG1-CD2 3.62Å; V113-Y117 HydrophobicContact CG1-CE2 3.4Å; V113-Y117 WeakPolarHBondContact O-CD2 3.32Å; V113-Y117 PolarHBondContact O-N 3.47Å |
| 114 | A | 94.8 | Very high | 93.7 | Very high | 65 Ų | 65 | 35.5 Ų | 35.5 | 54% | 0.537 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60.5 | -48.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | N112 V116 Y117 E118 T143 | N112-A114 VanDerWaalsContact C-N 3.29Å; N112-A114 PolarHBondContact O-N 3.31Å; A114-V116 VanDerWaalsContact C-N 3.32Å; A114-V116 PolarHBondContact O-N 3.43Å; A114-Y117 PolarHBondContact O-N 2.87Å; A114-E118 PolarHBondContact O-N 3.28Å; A114-T143 HydrophobicContact CB-CG2 4.32Å |
| 115 | L | 94.4 | Very high | 93.9 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62 | -39.8 | 177 | 174.8 | 56.6 | 0 | 0 | 0 | 111.9 | Y100 N112 E118 L119 I141 T143 A145 | Y100-L115 HydrophobicContact CD1-CD1 4.12Å; N112-L115 HydrophobicContact CB-CB 4.45Å; N112-L115 WeakPolarHBondContact O-CB 3.41Å; N112-L115 PolarHBondContact O-N 2.96Å; N112-L115 VanDerWaalsContact O-N 3.1Å; L115-E118 PolarHBondContact O-N 3.37Å; L115-L119 HydrophobicContact CD1-CD1 4.1Å; L115-L119 HydrophobicContact CD1-CG 4.17Å; L115-L119 HydrophobicContact CG-CD1 4.08Å; L115-L119 WeakPolarHBondContact O-CB 3.26Å; L115-L119 WeakPolarHBondContact O-CG 3.31Å; L115-L119 PolarHBondContact O-N 3.42Å; L115-I141 HydrophobicContact CD1-CG2 3.43Å; L115-I141 VanDerWaalsContact CD1-CG2 3.43Å; L115-T143 HydrophobicContact CB-CG2 3.83Å; L115-A145 HydrophobicContact CD2-CB 3.89Å |
| 116 | V | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.9 | -43.2 | 177.2 | 177.4 | 0 | 0 | 0 | 0 | 111 | I16 L97 I109 N112 V113 A114 L119 L120 | I16-V116 HydrophobicContact CD1-CB 4Å; I16-V116 HydrophobicContact CD1-CG1 3.82Å; I16-V116 HydrophobicContact CG1-CG1 3.86Å; I16-V116 HydrophobicContact CG2-CG1 4.22Å; L97-V116 HydrophobicContact CD2-CB 4.43Å; L97-V116 HydrophobicContact CD2-CG1 4.01Å; L97-V116 HydrophobicContact CD2-CG2 4.1Å; I109-V116 HydrophobicContact CD1-CG2 4.16Å; N112-V116 VanDerWaalsContact O-CG2 3.32Å; N112-V116 WeakPolarHBondContact O-CG2 3.48Å; N112-V116 PolarHBondContact O-N 3.45Å; V113-V116 PolarHBondContact O-N 2.99Å; A114-V116 VanDerWaalsContact C-N 3.32Å; A114-V116 PolarHBondContact O-N 3.43Å; V116-L119 PolarHBondContact O-N 3.03Å; V116-L120 HydrophobicContact CG1-CD1 4.12Å; V116-L120 HydrophobicContact CG1-CG 4.48Å; V116-L120 VanDerWaalsContact O-CG 3.24Å; V116-L120 WeakPolarHBondContact O-CG 3.45Å; V116-L120 PolarHBondContact O-N 3.23Å |
| 117 | Y | 96.3 | Very high | 93.9 | Very high | 77 Ų | 77 | 41.4 Ų | 41.4 | 30% | 0.302 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.9 | -43.5 | 176.8 | -82.1 | -64.1 | 0 | 0 | 0 | 112.4 | I16 Y17 K18 V113 A114 L120 D121 | I16-Y117 HydrophobicContact CD1-CE2 4.16Å; I16-Y117 HydrophobicContact CG2-CE1 4.12Å; Y17-Y117 PolarHBondContact N-OH 3.01Å; Y17-Y117 WeakPolarHBondContact O-CE1 3.17Å; Y17-Y117 PolarHBondContact O-OH 2.81Å; Y17-Y117 VanDerWaalsContact O-OH 3.05Å; K18-Y117 HydrophobicContact CB-CE1 4.23Å; K18-Y117 HydrophobicContact CD-CD1 4.25Å; K18-Y117 PolarHBondContact NZ-O 3.46Å; V113-Y117 HydrophobicContact CG1-CD2 3.62Å; V113-Y117 HydrophobicContact CG1-CE2 3.4Å; V113-Y117 WeakPolarHBondContact O-CD2 3.32Å; V113-Y117 PolarHBondContact O-N 3.47Å; A114-Y117 PolarHBondContact O-N 2.87Å; Y117-L120 PolarHBondContact O-N 3.43Å; Y117-L120 VanDerWaalsContact O-N 3.14Å; Y117-D121 PolarHBondContact O-N 3.38Å; Y117-D121 VanDerWaalsContact O-OD2 3.09Å |
| 118 | E | 95.6 | Very high | 93.9 | Very high | 35 Ų | 35 | 45.1 Ų | 45.1 | 16% | 0.164 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.9 | -46.4 | 176.7 | -167.5 | -178.6 | -170 | 0 | 0 | 111.3 | A114 L115 L120 D121 E122 I141 Q142 T143 | A114-E118 PolarHBondContact O-N 3.28Å; L115-E118 PolarHBondContact O-N 3.37Å; E118-L120 VanDerWaalsContact C-N 3.29Å; E118-L120 PolarHBondContact O-N 2.88Å; E118-D121 PolarHBondContact O-N 3.19Å; E118-D121 VanDerWaalsContact O-N 3.15Å; E118-E122 PolarHBondContact O-N 3.07Å; E118-E122 VanDerWaalsContact O-N 3.14Å; E118-I141 HydrophobicContact CB-CD1 4.33Å; E118-I141 HydrophobicContact CG-CD1 3.75Å; E118-I141 WeakPolarHBondContact OE1-CA 3.28Å; E118-Q142 PolarHBondContact OE1-N 3.14Å; E118-T143 WeakPolarHBondContact OE2-CB 3.32Å; E118-T143 PolarHBondContact OE2-N 3.32Å; E118-T143 PolarHBondContact OE2-OG1 3.02Å |
| 119 | L | 95.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.7 | -41.7 | 173.7 | -76.2 | 166.7 | 0 | 0 | 0 | 112.1 | L96 L97 Y100 L115 V116 D121 E122 V123 I141 | L96-L119 HydrophobicContact CD2-CD2 4.46Å; L97-L119 HydrophobicContact CD2-CD1 3.92Å; Y100-L119 HydrophobicContact CD1-CD1 4.15Å; Y100-L119 HydrophobicContact CD1-CD2 3.93Å; Y100-L119 HydrophobicContact CD1-CG 4.45Å; Y100-L119 HydrophobicContact CD2-CD1 4.22Å; Y100-L119 HydrophobicContact CD2-CD2 3.86Å; Y100-L119 HydrophobicContact CE1-CD2 3.87Å; Y100-L119 HydrophobicContact CE2-CD2 3.84Å; Y100-L119 HydrophobicContact CG-CD1 3.77Å; Y100-L119 HydrophobicContact CG-CD2 3.92Å; Y100-L119 HydrophobicContact CG-CG 4.42Å; L115-L119 HydrophobicContact CD1-CD1 4.1Å; L115-L119 HydrophobicContact CD1-CG 4.17Å; L115-L119 HydrophobicContact CG-CD1 4.08Å; L115-L119 WeakPolarHBondContact O-CB 3.26Å; L115-L119 WeakPolarHBondContact O-CG 3.31Å; L115-L119 PolarHBondContact O-N 3.42Å; V116-L119 PolarHBondContact O-N 3.03Å; L119-D121 VanDerWaalsContact C-N 3.33Å; L119-D121 PolarHBondContact O-N 3.33Å; L119-E122 PolarHBondContact O-N 3.48Å; L119-V123 WeakPolarHBondContact O-CB 3.46Å; L119-V123 WeakPolarHBondContact O-CG2 3.37Å; L119-V123 PolarHBondContact O-N 3.23Å; L119-I141 HydrophobicContact CD2-CD1 3.74Å; L119-I141 HydrophobicContact CD2-CG1 3.76Å; L119-I141 HydrophobicContact CG-CD1 4.07Å; L119-I141 HydrophobicContact CG-CG1 4.45Å |
| 120 | L | 96.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.2 | -31.8 | 178.4 | -69.6 | 171.1 | 0 | 0 | 0 | 112.7 | F5 I16 K18 L93 V116 Y117 E118 L124 | F5-L120 HydrophobicContact CD1-CD1 3.56Å; F5-L120 HydrophobicContact CD1-CD2 3.68Å; F5-L120 HydrophobicContact CD1-CG 4.29Å; F5-L120 HydrophobicContact CE1-CD1 3.73Å; F5-L120 HydrophobicContact CE1-CD2 3.69Å; F5-L120 HydrophobicContact CE1-CG 4.32Å; F5-L120 HydrophobicContact CG-CD2 4.17Å; F5-L120 HydrophobicContact CZ-CD2 4.2Å; I16-L120 HydrophobicContact CG2-CD1 3.84Å; K18-L120 HydrophobicContact CB-CD1 4.39Å; K18-L120 HydrophobicContact CD-CB 3.74Å; K18-L120 HydrophobicContact CD-CD1 4.12Å; L93-L120 HydrophobicContact CD2-CD2 4.32Å; V116-L120 HydrophobicContact CG1-CD1 4.12Å; V116-L120 HydrophobicContact CG1-CG 4.48Å; V116-L120 VanDerWaalsContact O-CG 3.24Å; V116-L120 WeakPolarHBondContact O-CG 3.45Å; V116-L120 PolarHBondContact O-N 3.23Å; Y117-L120 PolarHBondContact O-N 3.43Å; Y117-L120 VanDerWaalsContact O-N 3.14Å; E118-L120 VanDerWaalsContact C-N 3.29Å; E118-L120 PolarHBondContact O-N 2.88Å; L120-L124 PolarHBondContact O-N 3.02Å; L120-L124 VanDerWaalsContact O-N 3.09Å |
| 121 | D | 94.6 | Very high | 94 | Very high | 94 Ų | 94 | 51.4 Ų | 51.4 | 50% | 0.503 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.6 | -41.1 | 174.4 | -81.2 | -51.4 | 0 | 0 | 0 | 111.1 | K18 Y117 E118 L119 | K18-D121 WeakPolarHBondContact CE-OD1 3.22Å; K18-D121 VanDerWaalsContact NZ-CA 3.27Å; K18-D121 IonicContact NZ-OD1 2.68Å; K18-D121 PolarHBondContact NZ-OD1 3.4Å; K18-D121 IonicContact NZ-OD2 2.61Å; K18-D121 PolarHBondContact NZ-OD2 2.83Å; Y117-D121 PolarHBondContact O-N 3.38Å; Y117-D121 VanDerWaalsContact O-OD2 3.09Å; E118-D121 PolarHBondContact O-N 3.19Å; E118-D121 VanDerWaalsContact O-N 3.15Å; L119-D121 VanDerWaalsContact C-N 3.33Å; L119-D121 PolarHBondContact O-N 3.33Å |
| 122 | E | 95.3 | Very high | 93.9 | Very high | 71 Ų | 71 | 47.6 Ų | 47.6 | 33% | 0.332 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -79.8 | -30.1 | -178.6 | -63.8 | -58.9 | 143.2 | 0 | 0 | 113.2 | E118 L119 L137 F140 I141 | E118-E122 PolarHBondContact O-N 3.07Å; E118-E122 VanDerWaalsContact O-N 3.14Å; L119-E122 PolarHBondContact O-N 3.48Å; E122-L137 HydrophobicContact CB-CD2 3.46Å; E122-L137 VanDerWaalsContact CB-CD2 3.46Å; E122-F140 HydrophobicContact CG-CB 3.93Å; E122-F140 WeakPolarHBondContact OE2-CB 3.4Å; E122-I141 HydrophobicContact CB-CD1 4.36Å; E122-I141 HydrophobicContact CG-CD1 3.88Å |
| 123 | V | 95.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -79.5 | -38.1 | 178.4 | 176.8 | 0 | 0 | 0 | 0 | 111.6 | L89 L93 L96 L119 Q130 T131 T132 L137 | L89-V123 HydrophobicContact CD1-CG1 4.47Å; L93-V123 HydrophobicContact CD2-CB 4.35Å; L93-V123 HydrophobicContact CD2-CG1 3.86Å; L93-V123 HydrophobicContact CD2-CG2 4.29Å; L96-V123 HydrophobicContact CD2-CG2 3.53Å; L119-V123 WeakPolarHBondContact O-CB 3.46Å; L119-V123 WeakPolarHBondContact O-CG2 3.37Å; L119-V123 PolarHBondContact O-N 3.23Å; V123-Q130 PolarHBondContact O-N 3.39Å; V123-T131 WeakPolarHBondContact CG2-O 3.39Å; V123-T132 HydrophobicContact CG1-CG2 4.09Å; V123-L137 HydrophobicContact CG2-CD1 3.74Å; V123-L137 HydrophobicContact CG2-CD2 4.22Å |
| 124 | L | 94.4 | Very high | 93.2 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 112.9 | -173.2 | -72.3 | 169.7 | 0 | 0 | 0 | 110.9 | I2 F20 L89 L120 Y128 V129 | I2-L124 HydrophobicContact CD1-CD1 4.47Å; I2-L124 HydrophobicContact CD1-CD2 3.75Å; F20-L124 HydrophobicContact CD1-CB 4.08Å; F20-L124 HydrophobicContact CE1-CB 3.39Å; F20-L124 HydrophobicContact CE1-CD1 4.21Å; F20-L124 HydrophobicContact CE1-CG 4.43Å; F20-L124 WeakPolarHBondContact CE1-O 3.2Å; F20-L124 HydrophobicContact CE2-CB 4.29Å; F20-L124 HydrophobicContact CE2-CD1 3.63Å; F20-L124 HydrophobicContact CZ-CB 3.52Å; F20-L124 HydrophobicContact CZ-CD1 3.41Å; F20-L124 VanDerWaalsContact CZ-CD1 3.41Å; F20-L124 HydrophobicContact CZ-CG 4.09Å; L89-L124 HydrophobicContact CD2-CD2 4.25Å; L120-L124 PolarHBondContact O-N 3.02Å; L120-L124 VanDerWaalsContact O-N 3.09Å; L124-Y128 WeakPolarHBondContact CA-O 3.47Å; L124-V129 HydrophobicContact CD2-CB 4.41Å; L124-V129 HydrophobicContact CD2-CG2 3.77Å |
| 125 | D | 92.9 | Very high | 92.6 | Very high | 102 Ų | 102 | 46.6 Ų | 46.6 | 55% | 0.545 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 120.9 | 170.9 | -175.5 | 13.2 | 0 | 0 | 0 | 109.7 | G127 Y128 Q130 | D125-G127 PolarHBondContact O-N 3.4Å; D125-Y128 PolarHBondContact N-O 3.2Å; D125-Y128 WeakPolarHBondContact O-CB 3.47Å; D125-Y128 PolarHBondContact O-N 2.91Å; D125-Q130 HydrophobicContact CB-CG 3.87Å |
| 126 | Y | 91.3 | Very high | 92.2 | Very high | 125 Ų | 125 | 51.7 Ų | 51.7 | 49% | 0.49 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.7 | 31.2 | -179 | -160.6 | -114.6 | 0 | 0 | 0 | 115.2 | F20 R21 Y128 | F20-Y126 WeakPolarHBondContact O-CD2 3.35Å; R21-Y126 WeakPolarHBondContact CD-O 3.31Å; R21-Y126 VanDerWaalsContact NH1-CD1 3.34Å; R21-Y126 PolarHBondContact NH1-O 3.01Å; Y126-Y128 HydrophobicContact CD1-CE2 4.3Å |
| 127 | G | 89.1 | Confident | 91.9 | Very high | 4 Ų | 4 | 51.7 Ų | 51.7 | 4% | 0.041 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | 6.4 | 180 | 0 | 0 | 0 | 0 | 0 | 115.4 | I2 D125 | I2-G127 PolarHBondContact N-O 3.11Å; I2-G127 WeakPolarHBondContact O-CA 3.36Å; D125-G127 PolarHBondContact O-N 3.4Å |
| 128 | Y | 91.7 | Very high | 91.3 | Very high | 114 Ų | 114 | 53.6 Ų | 53.6 | 45% | 0.447 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 135.3 | 174.2 | -62.4 | -88.1 | 0 | 0 | 0 | 111.3 | M1 L124 D125 Y126 Q130 | M1-Y128 HydrophobicContact CE-CE1 3.53Å; M1-Y128 VanDerWaalsContact CE-CZ 3.46Å; M1-Y128 WeakPolarHBondContact CE-OH 3.43Å; M1-Y128 HydrophobicContact CG-CE1 4.04Å; M1-Y128 HydrophobicContact SD-CE1 3.66Å; M1-Y128 HydrophobicContact SD-CE2 3.9Å; M1-Y128 PolarHBondContact SD-OH 2.93Å; L124-Y128 WeakPolarHBondContact CA-O 3.47Å; D125-Y128 PolarHBondContact N-O 3.2Å; D125-Y128 WeakPolarHBondContact O-CB 3.47Å; D125-Y128 PolarHBondContact O-N 2.91Å; Y126-Y128 HydrophobicContact CD1-CE2 4.3Å; Y128-Q130 PolarHBondContact O-N 2.91Å |
| 129 | V | 93.9 | Very high | 90.8 | Very high | 73 Ų | 73 | 58.3 Ų | 58.3 | 44% | 0.442 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 119.3 | 176.3 | -175.3 | 0 | 0 | 0 | 0 | 109.4 | I2 L89 L124 T132 | I2-V129 HydrophobicContact CD1-CG2 4.45Å; L89-V129 HydrophobicContact CD1-CG1 4.01Å; L89-V129 HydrophobicContact CD1-CG2 3.78Å; L89-V129 HydrophobicContact CD2-CG2 3.64Å; L89-V129 HydrophobicContact CG-CG2 4.27Å; L124-V129 HydrophobicContact CD2-CB 4.41Å; L124-V129 HydrophobicContact CD2-CG2 3.77Å; V129-T132 HydrophobicContact CG1-CG2 3.94Å |
| 130 | Q | 93.9 | Very high | 90.5 | Very high | 114 Ų | 114 | 63.6 Ų | 63.6 | 53% | 0.533 | 31% | 0.309 | S | S | . | . | trans | -92.4 | -60.3 | 177.8 | -58 | -55.8 | -37.1 | 0 | 0 | 110.7 | V123 D125 Y128 | V123-Q130 PolarHBondContact O-N 3.39Å; D125-Q130 HydrophobicContact CB-CG 3.87Å; Y128-Q130 PolarHBondContact O-N 2.91Å | ||
| 131 | T | 91.1 | Very high | 90.2 | Very high | 27 Ų | 27 | 64.3 Ų | 64.3 | 17% | 0.166 | 31% | 0.312 | C | S | . | . | trans | -152.6 | 143.5 | 179.7 | -176 | 0 | 0 | 0 | 0 | 111.5 | V123 S133 M136 L137 | V123-T131 WeakPolarHBondContact CG2-O 3.39Å; T131-S133 PolarHBondContact OG1-N 3.17Å; T131-M136 WeakPolarHBondContact OG1-CE 3.36Å; T131-L137 HydrophobicContact CG2-CD2 3.59Å; T131-L137 HydrophobicContact CG2-CG 3.92Å | ||
| 132 | T | 91 | Very high | 89.9 | Confident | 40 Ų | 40 | 67.6 Ų | 67.6 | 25% | 0.245 | 33% | 0.325 | C | S | . | . | trans | -121.1 | 18.1 | 174.9 | 62.5 | 0 | 0 | 0 | 0 | 111.7 | L89 V123 V129 | L89-T132 HydrophobicContact CD1-CG2 3.95Å; V123-T132 HydrophobicContact CG1-CG2 4.09Å; V129-T132 HydrophobicContact CG1-CG2 3.94Å | ||
| 133 | S | 87.3 | Confident | 89.6 | Confident | 30 Ų | 30 | 66.9 Ų | 66.9 | 21% | 0.21 | 33% | 0.325 | C | S | . | . | trans | -88.8 | 119.5 | 179.3 | 178.2 | 0 | 0 | 0 | 0 | 110.4 | T131 E135 M136 L137 | T131-S133 PolarHBondContact OG1-N 3.17Å; S133-E135 PolarHBondContact O-N 3.44Å; S133-M136 PolarHBondContact O-N 3.03Å; S133-L137 WeakPolarHBondContact O-CB 3.26Å; S133-L137 WeakPolarHBondContact O-CG 3.36Å; S133-L137 PolarHBondContact O-N 2.94Å | ||
| 134 | T | 86.6 | Confident | 89.1 | Confident | 11 Ų | 11 | 70.8 Ų | 70.8 | 7% | 0.067 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -51.8 | -40.3 | 176.3 | -52.1 | 0 | 0 | 0 | 0 | 111.6 | D99 Y100 R138 | D99-T134 HydrophobicContact CB-CG2 4.06Å; D99-T134 PolarHBondContact OD2-OG1 2.92Å; Y100-T134 HydrophobicContact CD2-CG2 4.29Å; Y100-T134 HydrophobicContact CE2-CG2 3.68Å; Y100-T134 PolarHBondContact OH-O 3.2Å; T134-R138 PolarHBondContact O-N 2.79Å |
| 135 | E | 82.1 | Confident | 88.6 | Confident | 56 Ų | 56 | 72.1 Ų | 72.1 | 26% | 0.262 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -71.8 | -42.2 | -177.8 | -62 | -176.4 | 169 | 0 | 0 | 113.2 | S133 R138 S229 P282 Q283 | S133-E135 PolarHBondContact O-N 3.44Å; E135-R138 WeakPolarHBondContact O-CB 3.47Å; E135-R138 PolarHBondContact O-N 2.98Å; E135-S229 VanDerWaalsContact CD-CB 3.5Å; E135-S229 WeakPolarHBondContact OE1-CB 3.47Å; E135-S229 WeakPolarHBondContact OE2-CB 3.4Å; E135-P282 WeakPolarHBondContact OE1-CA 3.33Å; E135-Q283 HydrophobicContact CG-CB 4.08Å; E135-Q283 PolarHBondContact OE1-N 3.22Å |
| 136 | M | 86.6 | Confident | 88.2 | Confident | 109 Ų | 109 | 71 Ų | 71 | 54% | 0.537 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.4 | -43.8 | 178.4 | -68 | -166.2 | -93.1 | 0 | 0 | 110.6 | T131 S133 R138 N139 F140 | T131-M136 WeakPolarHBondContact OG1-CE 3.36Å; S133-M136 PolarHBondContact O-N 3.03Å; M136-R138 PolarHBondContact O-N 3.43Å; M136-N139 PolarHBondContact O-N 2.87Å; M136-F140 WeakPolarHBondContact O-CD2 3.24Å; M136-F140 WeakPolarHBondContact O-CE2 3.3Å |
| 137 | L | 89.5 | Confident | 87.6 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.7 | -30.5 | 179.4 | -71.5 | 168.3 | 0 | 0 | 0 | 112.6 | L96 Y100 E122 V123 T131 S133 N139 F140 I141 | L96-L137 HydrophobicContact CD1-CD1 3.72Å; L96-L137 HydrophobicContact CD2-CD1 3.56Å; L96-L137 HydrophobicContact CG-CD1 4.26Å; Y100-L137 WeakPolarHBondContact OH-CB 3.44Å; E122-L137 HydrophobicContact CB-CD2 3.46Å; E122-L137 VanDerWaalsContact CB-CD2 3.46Å; V123-L137 HydrophobicContact CG2-CD1 3.74Å; V123-L137 HydrophobicContact CG2-CD2 4.22Å; T131-L137 HydrophobicContact CG2-CD2 3.59Å; T131-L137 HydrophobicContact CG2-CG 3.92Å; S133-L137 WeakPolarHBondContact O-CB 3.26Å; S133-L137 WeakPolarHBondContact O-CG 3.36Å; S133-L137 PolarHBondContact O-N 2.94Å; L137-N139 PolarHBondContact O-N 3.34Å; L137-F140 PolarHBondContact O-N 2.85Å; L137-I141 HydrophobicContact CB-CG1 4.47Å; L137-I141 WeakPolarHBondContact O-CG1 3.21Å; L137-I141 PolarHBondContact O-N 3.21Å; L137-I141 VanDerWaalsContact O-N 3.08Å |
| 138 | R | 83.8 | Confident | 86.4 | Confident | 116 Ų | 116 | 71.5 Ų | 71.5 | 44% | 0.438 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -31.4 | -177.3 | -176.3 | -177.8 | 175.6 | 171.4 | -3.7 | 113.5 | Y100 T134 E135 M136 F140 L182 Q283 | Y100-R138 VanDerWaalsContact OH-CA 3.3Å; Y100-R138 WeakPolarHBondContact OH-CA 3.46Å; Y100-R138 PolarHBondContact OH-N 2.82Å; T134-R138 PolarHBondContact O-N 2.79Å; E135-R138 WeakPolarHBondContact O-CB 3.47Å; E135-R138 PolarHBondContact O-N 2.98Å; M136-R138 PolarHBondContact O-N 3.43Å; R138-F140 VanDerWaalsContact C-N 3.33Å; R138-L182 HydrophobicContact CG-CD1 4.22Å; R138-L182 HydrophobicContact CG-CD2 3.83Å; R138-Q283 VanDerWaalsContact NH1-OE1 3.1Å |
| 139 | N | 85.2 | Confident | 84.9 | Confident | 134 Ų | 134 | 74.9 Ų | 74.9 | 72% | 0.717 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -18.9 | -179 | -63.8 | -33.8 | 0 | 0 | 0 | 113.3 | M136 L137 | M136-N139 PolarHBondContact O-N 2.87Å; L137-N139 PolarHBondContact O-N 3.34Å |
| 140 | F | 88.1 | Confident | 82.9 | Confident | 113 Ų | 113 | 76.1 Ų | 76.1 | 50% | 0.496 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -23.9 | -177.2 | -55.6 | -75.5 | 0 | 0 | 0 | 112.4 | E122 M136 L137 R138 | E122-F140 HydrophobicContact CG-CB 3.93Å; E122-F140 WeakPolarHBondContact OE2-CB 3.4Å; M136-F140 WeakPolarHBondContact O-CD2 3.24Å; M136-F140 WeakPolarHBondContact O-CE2 3.3Å; L137-F140 PolarHBondContact O-N 2.85Å; R138-F140 VanDerWaalsContact C-N 3.33Å |
| 141 | I | 89.7 | Confident | 80.5 | Confident | 15 Ų | 15 | 79.7 Ų | 79.7 | 8% | 0.077 | 41% | 0.409 | C | S | . | . | trans | -84.4 | 124.7 | 178.8 | -55.5 | -57.1 | 0 | 0 | 0 | 111.8 | Y100 L115 E118 L119 E122 L137 | Y100-I141 HydrophobicContact CD1-CG2 4.32Å; Y100-I141 HydrophobicContact CE1-CB 4Å; Y100-I141 HydrophobicContact CE1-CG1 3.87Å; Y100-I141 HydrophobicContact CE1-CG2 3.93Å; L115-I141 HydrophobicContact CD1-CG2 3.43Å; L115-I141 VanDerWaalsContact CD1-CG2 3.43Å; E118-I141 HydrophobicContact CB-CD1 4.33Å; E118-I141 HydrophobicContact CG-CD1 3.75Å; E118-I141 WeakPolarHBondContact OE1-CA 3.28Å; L119-I141 HydrophobicContact CD2-CD1 3.74Å; L119-I141 HydrophobicContact CD2-CG1 3.76Å; L119-I141 HydrophobicContact CG-CD1 4.07Å; L119-I141 HydrophobicContact CG-CG1 4.45Å; E122-I141 HydrophobicContact CB-CD1 4.36Å; E122-I141 HydrophobicContact CG-CD1 3.88Å; L137-I141 HydrophobicContact CB-CG1 4.47Å; L137-I141 WeakPolarHBondContact O-CG1 3.21Å; L137-I141 PolarHBondContact O-N 3.21Å; L137-I141 VanDerWaalsContact O-N 3.08Å | ||
| 142 | Q | 88.2 | Confident | 78.3 | Confident | 164 Ų | 164 | 80.8 Ų | 80.8 | 77% | 0.766 | 42% | 0.419 | S | S | * | . | trans | -105.1 | -30.6 | 178.9 | -56.8 | -174.2 | 9.8 | 0 | 0 | 112.7 | E118 E144 | E118-Q142 PolarHBondContact OE1-N 3.14Å; Q142-E144 PolarHBondContact O-N 3Å | ||
| 143 | T | 88.4 | Confident | 76.2 | Confident | 56 Ų | 56 | 85.3 Ų | 85.3 | 34% | 0.344 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 132.6 | -178.1 | -52.8 | 0 | 0 | 0 | 0 | 110.8 | A114 L115 E118 | A114-T143 HydrophobicContact CB-CG2 4.32Å; L115-T143 HydrophobicContact CB-CG2 3.83Å; E118-T143 WeakPolarHBondContact OE2-CB 3.32Å; E118-T143 PolarHBondContact OE2-N 3.32Å; E118-T143 PolarHBondContact OE2-OG1 3.02Å |
| 144 | E | 85.4 | Confident | 74.3 | Confident | 82 Ų | 82 | 90.6 Ų | 90.6 | 38% | 0.383 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -88.3 | 146.8 | 174.6 | -62.5 | -166.5 | 165 | 0 | 0 | 111.7 | Q142 S184 R185 | Q142-E144 PolarHBondContact O-N 3Å; E144-S184 WeakPolarHBondContact OE2-CA 3.5Å; E144-S184 WeakPolarHBondContact OE2-CB 3.01Å; E144-R185 VanDerWaalsContact OE1-CB 3.23Å; E144-R185 WeakPolarHBondContact OE1-CB 3.32Å; E144-R185 VanDerWaalsContact OE1-CG 3.22Å; E144-R185 WeakPolarHBondContact OE1-CG 3.44Å; E144-R185 PolarHBondContact OE1-N 3.26Å |
| 145 | A | 85.6 | Confident | 72.4 | Confident | 29 Ų | 29 | 95.6 Ų | 95.6 | 24% | 0.24 | 49% | 0.486 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 129.1 | 180 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y100 N112 L115 V147 P180 | Y100-A145 WeakPolarHBondContact O-CB 3.49Å; N112-A145 WeakPolarHBondContact OD1-CA 3.49Å; L115-A145 HydrophobicContact CD2-CB 3.89Å; A145-V147 HydrophobicContact CB-CG2 4.46Å; A145-V147 PolarHBondContact O-N 3.43Å; A145-P180 HydrophobicContact CB-CB 4.43Å; A145-P180 HydrophobicContact CB-CG 4.13Å |
| 146 | V | 84.5 | Confident | 70.6 | Confident | 80 Ų | 80 | 98.4 Ų | 98.4 | 49% | 0.485 | 50% | 0.503 | S | S | . | . | trans | -83.5 | 95.9 | 171.1 | -175.1 | 0 | 0 | 0 | 0 | 108.8 | R111 N112 | R111-V146 HydrophobicContact CB-CB 4.48Å; R111-V146 HydrophobicContact CB-CG1 4.42Å; N112-V146 PolarHBondContact ND2-O 2.66Å; N112-V146 VanDerWaalsContact ND2-O 3.11Å; N112-V146 PolarHBondContact OD1-N 3.12Å | ||
| 147 | V | 77.5 | Confident | 68.5 | Low | 77 Ų | 77 | 97.2 Ų | 97.2 | 47% | 0.467 | 51% | 0.505 | S | S | . | . | trans | -87.5 | 123.3 | 178.7 | -171.9 | 0 | 0 | 0 | 0 | 110.4 | A145 K149 P180 | A145-V147 HydrophobicContact CB-CG2 4.46Å; A145-V147 PolarHBondContact O-N 3.43Å; V147-K149 PolarHBondContact O-N 2.91Å; V147-K149 VanDerWaalsContact O-N 3.12Å; V147-P180 HydrophobicContact CG2-CG 3.48Å; V147-P180 VanDerWaalsContact CG2-CG 3.48Å | ||
| 148 | S | 65.2 | Low | 66.3 | Low | 61 Ų | 61 | 102.2 Ų | 102.2 | 43% | 0.427 | 54% | 0.54 | S | S | . | . | trans | -68.4 | 108.4 | 166.6 | 49.8 | 0 | 0 | 0 | 0 | 109.1 | R111 P150 | R111-S148 PolarHBondContact NH2-OG 3.15Å; S148-P150 WeakPolarHBondContact O-CD 3.2Å | ||
| 149 | K | 59.1 | Low | 64.4 | Low | 186 Ų | 186 | 102.3 Ų | 102.3 | 81% | 0.809 | 55% | 0.553 | S | S | * | * | trans | -71.5 | 111.6 | 165.2 | -69.8 | -175.5 | 179.4 | -178.8 | 0 | 107.5 | V147 F151 | V147-K149 PolarHBondContact O-N 2.91Å; V147-K149 VanDerWaalsContact O-N 3.12Å; K149-F151 PolarHBondContact O-N 2.58Å | ||
| 150 | P | 52.8 | Low | 62.7 | Low | 98 Ų | 98 | 99.1 Ų | 99.1 | 64% | 0.636 | 55% | 0.551 | S | S | * | * | trans | -61.2 | 126.9 | 167.7 | 26.3 | -30.8 | 0 | 0 | 0 | 107.2 | S148 S152 | S148-P150 WeakPolarHBondContact O-CD 3.2Å; P150-S152 PolarHBondContact O-N 3.1Å | ||
| 151 | F | 43.3 | Very low | 60.4 | Low | 189 Ų | 189 | 101.8 Ų | 101.8 | 83% | 0.829 | 57% | 0.57 | S | S | * | * | trans | -60.9 | 106.7 | 177.8 | -161.6 | -89.3 | 0 | 0 | 0 | 108.2 | K149 | K149-F151 PolarHBondContact O-N 2.58Š| ||
| 152 | S | 44.7 | Very low | 58 | Low | 51 Ų | 51 | 111.2 Ų | 111.2 | 36% | 0.357 | 61% | 0.611 | S | S | . | * | trans | -105.1 | 117.6 | 177.1 | -166.4 | 0 | 0 | 0 | 0 | 107.9 | P150 F154 D155 | P150-S152 PolarHBondContact O-N 3.1Å; S152-F154 PolarHBondContact O-N 2.96Å; S152-D155 PolarHBondContact O-N 3.29Å | ||
| 153 | L | 46.4 | Very low | 56 | Low | 135 Ų | 135 | 107.6 Ų | 107.6 | 71% | 0.707 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -56.6 | -18.1 | 171.5 | -83.1 | 160.9 | 0 | 0 | 0 | 112.3 | L156 | L153-L156 HydrophobicContact CD2-CD1 4.39Å; L153-L156 PolarHBondContact O-N 3.5Å |
| 154 | F | 48.8 | Very low | 53.5 | Low | 140 Ų | 140 | 108.5 Ų | 108.5 | 61% | 0.614 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -75.1 | -22.2 | 175.7 | -67.8 | -79.8 | 0 | 0 | 0 | 114 | S152 L156 S157 | S152-F154 PolarHBondContact O-N 2.96Å; F154-L156 PolarHBondContact O-N 3.32Å; F154-S157 WeakPolarHBondContact O-CB 3.36Å; F154-S157 PolarHBondContact O-N 3.49Å; F154-S157 PolarHBondContact O-OG 2.84Å |
| 155 | D | 45 | Very low | 51.4 | Low | 117 Ų | 117 | 114.2 Ų | 114.2 | 63% | 0.626 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -68 | -11.3 | 174 | -92.7 | -9.1 | 0 | 0 | 0 | 112.5 | S152 S158 | S152-D155 PolarHBondContact O-N 3.29Å; D155-S158 PolarHBondContact O-OG 2.86Å |
| 156 | L | 44.4 | Very low | 49.5 | Very low | 115 Ų | 115 | 116.5 Ų | 116.5 | 60% | 0.602 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -83.7 | -14 | 171.9 | -64.5 | 174.7 | 0 | 0 | 0 | 112.9 | L153 F154 S158 V159 | L153-L156 HydrophobicContact CD2-CD1 4.39Å; L153-L156 PolarHBondContact O-N 3.5Å; F154-L156 PolarHBondContact O-N 3.32Å; L156-S158 PolarHBondContact O-N 3.5Å; L156-V159 PolarHBondContact O-N 3.49Å |
| 157 | S | 43 | Very low | 47.6 | Very low | 84 Ų | 84 | 121.4 Ų | 121.4 | 59% | 0.587 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -5.7 | 179.8 | 69.7 | 0 | 0 | 0 | 0 | 113.6 | F154 V159 | F154-S157 WeakPolarHBondContact O-CB 3.36Å; F154-S157 PolarHBondContact O-N 3.49Å; F154-S157 PolarHBondContact O-OG 2.84Å; S157-V159 PolarHBondContact O-N 3.07Å |
| 158 | S | 44 | Very low | 46 | Very low | 105 Ų | 105 | 123.8 Ų | 123.8 | 73% | 0.734 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -1 | 168.2 | 57.2 | 0 | 0 | 0 | 0 | 113.5 | D155 L156 G160 | D155-S158 PolarHBondContact O-OG 2.86Å; L156-S158 PolarHBondContact O-N 3.5Å; S158-G160 PolarHBondContact O-N 3.49Å |
| 159 | V | 42.4 | Very low | 45.2 | Very low | 118 Ų | 118 | 126.1 Ų | 126.1 | 72% | 0.715 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -79.1 | 94.9 | 160.1 | -170.1 | 0 | 0 | 0 | 0 | 107 | L156 S157 L161 | L156-V159 PolarHBondContact O-N 3.49Å; S157-V159 PolarHBondContact O-N 3.07Å; V159-L161 PolarHBondContact O-N 2.97Å |
| 160 | G | 49.5 | Very low | 45 | Very low | 66 Ų | 66 | 125.9 Ų | 125.9 | 68% | 0.68 | 71% | 0.707 | S | S | * | * | trans | -48.8 | 118.7 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S158 | S158-G160 PolarHBondContact O-N 3.49Š| ||
| 161 | L | 39.7 | Very low | 45.3 | Very low | 169 Ų | 169 | 126.4 Ų | 126.4 | 89% | 0.885 | 71% | 0.708 | S | S | * | * | trans | -100.9 | 122.6 | 149.8 | -126.8 | 86.5 | 0 | 0 | 0 | 107.7 | V159 | V159-L161 PolarHBondContact O-N 2.97Š| ||
| 162 | F | 41 | Very low | 46.4 | Very low | 214 Ų | 214 | 118.5 Ų | 118.5 | 94% | 0.939 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -37.9 | 130.9 | -177.6 | -82.3 | -109.3 | 0 | 0 | 0 | 115.2 | A164 | F162-A164 PolarHBondContact O-N 3.01Š|
| 163 | G | 44.7 | Very low | 47.6 | Very low | 87 Ų | 87 | 119.9 Ų | 119.9 | 90% | 0.897 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 84.7 | 9.1 | 141.7 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||
| 164 | A | 37.4 | Very low | 48.5 | Very low | 75 Ų | 75 | 119.1 Ų | 119.1 | 62% | 0.62 | 69% | 0.691 | S | S | * | * | trans | -99.7 | 96.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | F162 T166 | F162-A164 PolarHBondContact O-N 3.01Å; A164-T166 HydrophobicContact CB-CG2 4.1Å; A164-T166 PolarHBondContact O-N 3.14Å | ||
| 165 | E | 41.2 | Very low | 49.6 | Very low | 203 Ų | 203 | 115.2 Ų | 115.2 | 95% | 0.949 | 68% | 0.681 | S | S | * | * | trans | -64.1 | 83.8 | 158.3 | -69.9 | -165.2 | 163 | 0 | 0 | 108.4 | ||||
| 166 | T | 46 | Very low | 50.9 | Low | 76 Ų | 76 | 109.7 Ų | 109.7 | 47% | 0.466 | 65% | 0.652 | S | S | . | * | trans | -68.5 | 144.5 | 176.9 | 57.9 | 0 | 0 | 0 | 0 | 109.2 | A164 Q168 | A164-T166 HydrophobicContact CB-CG2 4.1Å; A164-T166 PolarHBondContact O-N 3.14Å; T166-Q168 PolarHBondContact O-N 3.35Å | ||
| 167 | Q | 44.1 | Very low | 52 | Low | 183 Ų | 183 | 105.2 Ų | 105.2 | 86% | 0.855 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -58.8 | 1.4 | 178.6 | -63.6 | -169.5 | -5.1 | 0 | 0 | 114.5 | S169 K170 | Q167-S169 VanDerWaalsContact C-N 3.26Å; Q167-S169 PolarHBondContact O-N 2.7Å; Q167-K170 PolarHBondContact O-N 2.86Å |
| 168 | Q | 44.3 | Very low | 53.5 | Low | 128 Ų | 128 | 103.5 Ų | 103.5 | 60% | 0.598 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -69.6 | -16.3 | 179.7 | -67.4 | 177.1 | 0 | 0 | 0 | 113.7 | T166 K170 V171 | T166-Q168 PolarHBondContact O-N 3.35Å; Q168-K170 PolarHBondContact O-N 3.18Å; Q168-V171 PolarHBondContact O-N 3.39Å |
| 169 | S | 47.6 | Very low | 55.1 | Low | 109 Ų | 109 | 103 Ų | 103 | 76% | 0.762 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -61.3 | -23.1 | 174.4 | 172.8 | 0 | 0 | 0 | 0 | 113.7 | Q167 | Q167-S169 VanDerWaalsContact C-N 3.26Å; Q167-S169 PolarHBondContact O-N 2.7Å |
| 170 | K | 54.6 | Low | 56.7 | Low | 182 Ų | 182 | 98.2 Ų | 98.2 | 79% | 0.791 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -94.5 | 0.6 | -174.7 | -65.6 | -175.1 | -179.9 | 178.7 | 0 | 115.2 | Q167 Q168 | Q167-K170 PolarHBondContact O-N 2.86Å; Q168-K170 PolarHBondContact O-N 3.18Å |
| 171 | V | 59.5 | Low | 57.9 | Low | 109 Ų | 109 | 95.1 Ų | 95.1 | 66% | 0.661 | 54% | 0.541 | S | S | * | . | trans | -139.4 | 122.8 | -175.3 | -171.8 | 0 | 0 | 0 | 0 | 110.8 | Q168 | Q168-V171 PolarHBondContact O-N 3.39Š| ||
| 172 | A | 66.1 | Low | 59.5 | Low | 22 Ų | 22 | 88.8 Ų | 88.8 | 18% | 0.182 | 51% | 0.508 | C | S | . | . | trans | -73.4 | 145.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A176 F195 W446 | A172-A176 HydrophobicContact CB-CB 4.08Å; A172-F195 HydrophobicContact CB-CE1 3.92Å; A172-W446 HydrophobicContact CB-CD2 3.66Å; A172-W446 HydrophobicContact CB-CE3 3.8Å; A172-W446 HydrophobicContact CB-CG 4.27Å; A172-W446 HydrophobicContact CB-CH2 3.95Å; A172-W446 HydrophobicContact CB-CZ2 3.8Å; A172-W446 HydrophobicContact CB-CZ3 3.95Å; A172-W446 VanDerWaalsContact N-CH2 3.35Å | ||
| 173 | P | 69.3 | Low | 60.5 | Low | 80 Ų | 80 | 81 Ų | 81 | 52% | 0.519 | 48% | 0.48 | S | S | . | . | trans | -61.7 | 148.2 | 172.2 | 23.4 | -30.1 | 0 | 0 | 0 | 111.1 | S175 A176 | P173-S175 PolarHBondContact O-N 2.96Å; P173-S175 VanDerWaalsContact O-N 3.08Å; P173-A176 HydrophobicContact CG-CB 4.18Å; P173-A176 WeakPolarHBondContact O-CB 3.39Å; P173-A176 PolarHBondContact O-N 3.46Å | ||
| 174 | S | 65.4 | Low | 61 | Low | 119 Ų | 119 | 78.9 Ų | 78.9 | 83% | 0.832 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -23.8 | -174.7 | -53.2 | 0 | 0 | 0 | 0 | 114.5 | A176 | S174-A176 VanDerWaalsContact C-N 3.35Š|
| 175 | S | 72.6 | Confident | 61.8 | Low | 58 Ų | 58 | 85.3 Ų | 85.3 | 41% | 0.406 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 1 | 175.9 | 56.2 | 0 | 0 | 0 | 0 | 113.9 | P173 A177 S178 | P173-S175 PolarHBondContact O-N 2.96Å; P173-S175 VanDerWaalsContact O-N 3.08Å; S175-A177 VanDerWaalsContact C-N 3.33Å; S175-A177 PolarHBondContact O-N 2.9Å; S175-S178 WeakPolarHBondContact CA-OG 3.42Å; S175-S178 PolarHBondContact O-N 3.33Å; S175-S178 VanDerWaalsContact O-N 3.07Å; S175-S178 PolarHBondContact O-OG 2.96Å |
| 176 | A | 72.1 | Confident | 62 | Low | 1 Ų | 1 | 80.4 Ų | 80.4 | 1% | 0.008 | 45% | 0.447 | C | S | . | . | G | 310 helix | trans | -62.2 | -41.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A172 P173 S174 S178 R179 F195 | A172-A176 HydrophobicContact CB-CB 4.08Å; P173-A176 HydrophobicContact CG-CB 4.18Å; P173-A176 WeakPolarHBondContact O-CB 3.39Å; P173-A176 PolarHBondContact O-N 3.46Å; S174-A176 VanDerWaalsContact C-N 3.35Å; A176-S178 VanDerWaalsContact C-N 3.28Å; A176-S178 PolarHBondContact O-N 3.07Å; A176-R179 VanDerWaalsContact CA-CZ 3.44Å; A176-R179 VanDerWaalsContact CB-NH2 3.25Å; A176-R179 WeakPolarHBondContact O-CG 3.41Å; A176-F195 HydrophobicContact CB-CE1 3.65Å; A176-F195 HydrophobicContact CB-CZ 3.57Å |
| 177 | A | 67.6 | Low | 62.2 | Low | 22 Ų | 22 | 81.1 Ų | 81.1 | 18% | 0.182 | 45% | 0.448 | C | S | . | . | G | 310 helix | trans | -75.8 | -11.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S175 F195 K224 | S175-A177 VanDerWaalsContact C-N 3.33Å; S175-A177 PolarHBondContact O-N 2.9Å; A177-F195 HydrophobicContact CB-CB 4.24Å; A177-F195 HydrophobicContact CB-CD1 4.18Å; A177-F195 HydrophobicContact CB-CD2 4.48Å; A177-F195 HydrophobicContact CB-CG 4.04Å; A177-K224 WeakPolarHBondContact O-CD 3.44Å; A177-K224 VanDerWaalsContact O-CE 3.29Å; A177-K224 WeakPolarHBondContact O-CE 3.22Å; A177-K224 PolarHBondContact O-NZ 2.83Å |
| 178 | S | 74.2 | Confident | 62.2 | Low | 47 Ų | 47 | 81.5 Ų | 81.5 | 33% | 0.329 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -96 | 3.1 | -178.5 | 66.5 | 0 | 0 | 0 | 0 | 114.1 | G102 S103 S175 A176 | G102-S178 CarbonylContact C-O 3.52Å; G102-S178 WeakPolarHBondContact CA-O 3.44Å; S103-S178 PolarHBondContact N-O 2.82Å; S175-S178 WeakPolarHBondContact CA-OG 3.42Å; S175-S178 PolarHBondContact O-N 3.33Å; S175-S178 VanDerWaalsContact O-N 3.07Å; S175-S178 PolarHBondContact O-OG 2.96Å; A176-S178 VanDerWaalsContact C-N 3.28Å; A176-S178 PolarHBondContact O-N 3.07Å |
| 179 | R | 78.4 | Confident | 62.5 | Low | 95 Ų | 95 | 79.1 Ų | 79.1 | 36% | 0.358 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -70.5 | 152.1 | 176 | -56.4 | -179.6 | -154.8 | 126.6 | -3 | 111.2 | A176 E193 K224 | A176-R179 VanDerWaalsContact CA-CZ 3.44Å; A176-R179 VanDerWaalsContact CB-NH2 3.25Å; A176-R179 WeakPolarHBondContact O-CG 3.41Å; R179-E193 IonicContact NH1-OE2 3.86Å; R179-E193 PolarHBondContact NH1-OE2 2.82Å; R179-K224 PolarHBondContact O-NZ 2.9Å |
| 180 | P | 76.1 | Confident | 63 | Low | 17 Ų | 17 | 77.4 Ų | 77.4 | 11% | 0.11 | 43% | 0.428 | C | S | . | . | trans | -54.1 | 144 | 163.4 | -26.2 | 35.5 | 0 | 0 | 0 | 111.7 | D99 Y100 A145 V147 L182 | D99-P180 CarbonylContact O-C 3.58Å; D99-P180 VanDerWaalsContact O-CA 3.29Å; D99-P180 WeakPolarHBondContact O-CA 3.34Å; Y100-P180 WeakPolarHBondContact O-CB 3.43Å; A145-P180 HydrophobicContact CB-CB 4.43Å; A145-P180 HydrophobicContact CB-CG 4.13Å; V147-P180 HydrophobicContact CG2-CG 3.48Å; V147-P180 VanDerWaalsContact CG2-CG 3.48Å; P180-L182 VanDerWaalsContact C-N 3.34Å | ||
| 181 | V | 74.8 | Confident | 63.8 | Low | 1 Ų | 1 | 75.1 Ų | 75.1 | 1% | 0.006 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -74.4 | -32.8 | 177.8 | 178.7 | 0 | 0 | 0 | 0 | 110.4 | D99 F226 Q283 G284 | D99-V181 HydrophobicContact CB-CB 4.46Å; D99-V181 HydrophobicContact CB-CG2 3.81Å; D99-V181 PolarHBondContact O-N 2.79Å; V181-F226 HydrophobicContact CG2-CE1 4.45Å; V181-Q283 HydrophobicContact CG1-CB 3.97Å; V181-Q283 VanDerWaalsContact CG1-CD 3.41Å; V181-Q283 HydrophobicContact CG1-CG 3.33Å; V181-Q283 PolarHBondContact O-NE2 3.44Å; V181-G284 VanDerWaalsContact CG2-CA 3.44Å |
| 182 | L | 72.1 | Confident | 64.8 | Low | 37 Ų | 37 | 71.8 Ų | 71.8 | 19% | 0.194 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -90 | 116.8 | 174 | -56.7 | -177.4 | 0 | 0 | 0 | 109.1 | Y100 R138 P180 | Y100-L182 HydrophobicContact CD1-CD1 3.61Å; Y100-L182 HydrophobicContact CE1-CD1 3.13Å; Y100-L182 HydrophobicContact CE1-CG 4.36Å; Y100-L182 HydrophobicContact CE2-CD1 4.49Å; Y100-L182 HydrophobicContact CG-CD1 4.46Å; R138-L182 HydrophobicContact CG-CD1 4.22Å; R138-L182 HydrophobicContact CG-CD2 3.83Å; P180-L182 VanDerWaalsContact C-N 3.34Å |
| 183 | S | 62.1 | Low | 65.8 | Low | 50 Ų | 50 | 71.6 Ų | 71.6 | 35% | 0.35 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -78 | 151.4 | 168.8 | 62.5 | 0 | 0 | 0 | 0 | 109.9 | R185 Q190 | S183-R185 PolarHBondContact O-N 2.84Å; S183-Q190 PolarHBondContact OG-NE2 2.79Å |
| 184 | S | 55.6 | Low | 66.8 | Low | 42 Ų | 42 | 67.8 Ų | 67.8 | 29% | 0.294 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -50.8 | 139.8 | 166.1 | 55.5 | 0 | 0 | 0 | 0 | 109.6 | E144 S186 D187 | E144-S184 WeakPolarHBondContact OE2-CA 3.5Å; E144-S184 WeakPolarHBondContact OE2-CB 3.01Å; S184-S186 PolarHBondContact O-N 2.78Å; S184-S186 PolarHBondContact OG-OG 2.97Å; S184-D187 PolarHBondContact O-N 2.8Å |
| 185 | R | 53.4 | Low | 68.2 | Low | 210 Ų | 210 | 62.7 Ų | 62.7 | 79% | 0.792 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -15.8 | -178.3 | -69.5 | 172.9 | 165.6 | -145.7 | -1.2 | 113.3 | E144 S183 | E144-R185 VanDerWaalsContact OE1-CB 3.23Å; E144-R185 WeakPolarHBondContact OE1-CB 3.32Å; E144-R185 VanDerWaalsContact OE1-CG 3.22Å; E144-R185 WeakPolarHBondContact OE1-CG 3.44Å; E144-R185 PolarHBondContact OE1-N 3.26Å; S183-R185 PolarHBondContact O-N 2.84Å |
| 186 | S | 46.7 | Very low | 69.2 | Low | 100 Ų | 100 | 59.9 Ų | 59.9 | 70% | 0.699 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -15.6 | 175.5 | 57 | 0 | 0 | 0 | 0 | 115.5 | S184 Q188 | S184-S186 PolarHBondContact O-N 2.78Å; S184-S186 PolarHBondContact OG-OG 2.97Å; S186-Q188 PolarHBondContact O-N 2.76Å |
| 187 | D | 50.6 | Low | 70.3 | Confident | 91 Ų | 91 | 61 Ų | 61 | 49% | 0.487 | 32% | 0.316 | S | S | . | . | trans | -98.8 | 87.2 | -174.7 | -151.9 | -6.4 | 0 | 0 | 0 | 110.3 | S184 S189 | S184-D187 PolarHBondContact O-N 2.8Å; D187-S189 PolarHBondContact O-N 3.23Å; D187-S189 VanDerWaalsContact O-N 3.13Å | ||
| 188 | Q | 43 | Very low | 71.7 | Confident | 192 Ų | 192 | 60 Ų | 60 | 90% | 0.897 | 31% | 0.307 | S | S | * | . | trans | -73 | 4.9 | -173.3 | -68.9 | -171.3 | 3.4 | 0 | 0 | 114.6 | S186 | S186-Q188 PolarHBondContact O-N 2.76Š| ||
| 189 | S | 51.7 | Low | 72.8 | Confident | 78 Ų | 78 | 58.5 Ų | 58.5 | 55% | 0.545 | 30% | 0.297 | S | S | . | . | trans | -107.5 | 71.1 | 174.7 | 81.7 | 0 | 0 | 0 | 0 | 111.8 | D187 K191 | D187-S189 PolarHBondContact O-N 3.23Å; D187-S189 VanDerWaalsContact O-N 3.13Å; S189-K191 VanDerWaalsContact C-N 3.32Å; S189-K191 PolarHBondContact O-N 2.94Å | ||
| 190 | Q | 58.3 | Low | 73.6 | Confident | 73 Ų | 73 | 54 Ų | 54 | 34% | 0.341 | 28% | 0.28 | S | S | . | . | trans | -61.2 | 98.1 | 163.9 | -78.2 | -97.6 | -40.6 | 0 | 0 | 108.1 | S183 N192 | S183-Q190 PolarHBondContact OG-NE2 2.79Å; Q190-N192 PolarHBondContact O-N 2.88Å | ||
| 191 | K | 70.8 | Confident | 74.5 | Confident | 134 Ų | 134 | 57.6 Ų | 57.6 | 58% | 0.583 | 29% | 0.291 | S | S | * | . | trans | -69.8 | 114.2 | 170.4 | -67 | -174.9 | -178.7 | -179.9 | 0 | 106.9 | S189 E193 | S189-K191 VanDerWaalsContact C-N 3.32Å; S189-K191 PolarHBondContact O-N 2.94Å; K191-E193 HydrophobicContact CB-CG 3.77Å; K191-E193 PolarHBondContact O-N 2.83Å | ||
| 192 | N | 80.6 | Confident | 75.5 | Confident | 38 Ų | 38 | 57.6 Ų | 57.6 | 20% | 0.203 | 29% | 0.291 | C | S | . | . | trans | -69.2 | 94.8 | 174.5 | -67 | -34.2 | 0 | 0 | 0 | 108.2 | Q190 L227 P443 H444 | Q190-N192 PolarHBondContact O-N 2.88Å; N192-L227 HydrophobicContact CB-CD2 3.69Å; N192-P443 HydrophobicContact CB-CB 3.84Å; N192-P443 CarbonylContact O-C 3.53Å; N192-P443 WeakPolarHBondContact O-CA 3.43Å; N192-P443 VanDerWaalsContact O-CB 3.24Å; N192-P443 WeakPolarHBondContact O-CB 3.33Å; N192-H444 PolarHBondContact O-N 3.32Å | ||
| 193 | E | 87.3 | Confident | 76.6 | Confident | 18 Ų | 18 | 56.8 Ų | 56.8 | 8% | 0.084 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 146.9 | -177.8 | -51.2 | -171.1 | 153.8 | 0 | 0 | 110.6 | R179 K191 F195 F226 H444 | R179-E193 IonicContact NH1-OE2 3.86Å; R179-E193 PolarHBondContact NH1-OE2 2.82Å; K191-E193 HydrophobicContact CB-CG 3.77Å; K191-E193 PolarHBondContact O-N 2.83Å; E193-F195 HydrophobicContact CB-CE2 3.79Å; E193-F195 HydrophobicContact CB-CZ 4.26Å; E193-F195 WeakPolarHBondContact OE2-CZ 3.43Å; E193-F226 HydrophobicContact CB-CD2 4.45Å; E193-F226 WeakPolarHBondContact O-CB 3.32Å; E193-F226 PolarHBondContact O-N 2.79Å; E193-H444 CarbonylContact C-O 3.6Å; E193-H444 WeakPolarHBondContact CA-O 3.35Å; E193-H444 HydrophobicContact CG-CB 4.11Å |
| 194 | V | 90.3 | Very high | 78.2 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 130.2 | 173.4 | -179.5 | 0 | 0 | 0 | 0 | 108.9 | L223 L227 M233 L431 L433 H444 W446 | V194-L223 HydrophobicContact CG1-CD1 3.3Å; V194-L223 HydrophobicContact CG1-CG 4.47Å; V194-L227 HydrophobicContact CG2-CD1 3.42Å; V194-L227 VanDerWaalsContact CG2-CD1 3.42Å; V194-L227 HydrophobicContact CG2-CD2 4.06Å; V194-L227 HydrophobicContact CG2-CG 3.54Å; V194-M233 HydrophobicContact CG1-SD 4.22Å; V194-L431 HydrophobicContact CB-CD2 4.4Å; V194-L431 HydrophobicContact CG1-CD2 3.96Å; V194-L433 HydrophobicContact CG2-CD1 4.38Å; V194-H444 PolarHBondContact N-O 3.09Å; V194-W446 PolarHBondContact O-N 2.86Å |
| 195 | F | 93.1 | Very high | 80.1 | Confident | 11 Ų | 11 | 54.9 Ų | 54.9 | 5% | 0.048 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 127.3 | 175.9 | -60.6 | -94.2 | 0 | 0 | 0 | 109.1 | A172 A176 A177 E193 L223 K224 F226 W446 | A172-F195 HydrophobicContact CB-CE1 3.92Å; A176-F195 HydrophobicContact CB-CE1 3.65Å; A176-F195 HydrophobicContact CB-CZ 3.57Å; A177-F195 HydrophobicContact CB-CB 4.24Å; A177-F195 HydrophobicContact CB-CD1 4.18Å; A177-F195 HydrophobicContact CB-CD2 4.48Å; A177-F195 HydrophobicContact CB-CG 4.04Å; E193-F195 HydrophobicContact CB-CE2 3.79Å; E193-F195 HydrophobicContact CB-CZ 4.26Å; E193-F195 WeakPolarHBondContact OE2-CZ 3.43Å; F195-L223 CarbonylContact O-C 3.54Å; F195-L223 WeakPolarHBondContact O-CA 3.18Å; F195-K224 HydrophobicContact CB-CB 4.36Å; F195-K224 PolarHBondContact N-O 2.79Å; F195-K224 PolarHBondContact O-N 3.06Å; F195-F226 AromaticContact CD2-CD2 3.92Å; F195-F226 HydrophobicContact CD2-CD2 3.92Å; F195-F226 AromaticContact CD2-CE2 3.55Å; F195-F226 HydrophobicContact CD2-CE2 3.55Å; F195-F226 AromaticContact CE2-CD2 3.81Å; F195-F226 HydrophobicContact CE2-CD2 3.81Å; F195-F226 AromaticContact CE2-CE2 3.5Å; F195-F226 HydrophobicContact CE2-CE2 3.5Å; F195-F226 VanDerWaalsContact CE2-CE2 3.5Å; F195-W446 HydrophobicContact CD1-CB 3.55Å; F195-W446 AromaticContact CD1-CD1 3.62Å; F195-W446 AromaticContact CD1-CG 3.74Å; F195-W446 HydrophobicContact CD1-CG 3.74Å; F195-W446 HydrophobicContact CE1-CB 3.91Å; F195-W446 AromaticContact CE1-CD1 3.2Å; F195-W446 HydrophobicContact CE1-CD2 4.34Å; F195-W446 AromaticContact CE1-CG 3.55Å; F195-W446 HydrophobicContact CE1-CG 3.55Å; F195-W446 AromaticContact CE1-NE1 3.8Å; F195-W446 HydrophobicContact CG-CB 4.28Å; F195-W446 AromaticContact CZ-CD1 3.47Å; F195-W446 VanDerWaalsContact CZ-CD1 3.47Å; F195-W446 HydrophobicContact CZ-CG 4.26Å; F195-W446 AromaticContact CZ-NE1 3.8Å |
| 196 | L | 95.3 | Very high | 82.1 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 113.8 | 176.7 | -169.8 | 74.7 | 0 | 0 | 0 | 108.5 | I221 R222 L223 I235 V428 L431 W446 V447 R448 | L196-I221 HydrophobicContact CD1-CG2 3.54Å; L196-I221 HydrophobicContact CG-CG2 4.1Å; L196-R222 CarbonylContact C-O 3.53Å; L196-R222 WeakPolarHBondContact CA-O 3.36Å; L196-L223 HydrophobicContact CD1-CB 4.21Å; L196-L223 HydrophobicContact CD1-CD1 3.92Å; L196-I235 HydrophobicContact CD1-CD1 3.95Å; L196-I235 HydrophobicContact CD2-CG2 3.98Å; L196-V428 HydrophobicContact CD2-CB 4.31Å; L196-V428 HydrophobicContact CD2-CG1 3.81Å; L196-V428 HydrophobicContact CD2-CG2 3.73Å; L196-L431 HydrophobicContact CD2-CD1 4.49Å; L196-W446 PolarHBondContact N-O 2.82Å; L196-V447 HydrophobicContact CB-CG2 4.35Å; L196-V447 HydrophobicContact CD2-CG2 4.43Å; L196-V447 CarbonylContact O-C 3.59Å; L196-V447 VanDerWaalsContact O-CA 3.28Å; L196-V447 WeakPolarHBondContact O-CA 3.44Å; L196-R448 PolarHBondContact O-N 2.79Å |
| 197 | D | 95.1 | Very high | 84.3 | Confident | 24 Ų | 24 | 41.4 Ų | 41.4 | 13% | 0.128 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 122.2 | 178.6 | -69.1 | -32.8 | 0 | 0 | 0 | 109.6 | V199 I221 R222 R448 | D197-V199 HydrophobicContact CB-CG2 3.97Å; D197-I221 CarbonylContact O-C 3.48Å; D197-I221 WeakPolarHBondContact O-CA 3.07Å; D197-R222 HydrophobicContact CB-CB 4.36Å; D197-R222 PolarHBondContact N-O 3.48Å; D197-R222 PolarHBondContact O-N 3.11Å; D197-R448 CarbonylContact C-O 3.59Å; D197-R448 WeakPolarHBondContact CA-O 3.35Å; D197-R448 VanDerWaalsContact CG-NH2 3.26Å; D197-R448 WeakPolarHBondContact OD1-CB 3.37Å; D197-R448 IonicContact OD1-CZ 3.12Å; D197-R448 IonicContact OD1-NE 3.42Å; D197-R448 PolarHBondContact OD1-NE 3.5Å; D197-R448 IonicContact OD1-NH2 3.28Å; D197-R448 PolarHBondContact OD1-NH2 3.32Å; D197-R448 IonicContact OD2-CZ 3.62Å; D197-R448 IonicContact OD2-NE 3.52Å; D197-R448 IonicContact OD2-NH2 3.88Å; D197-R448 PolarHBondContact OD2-NH2 2.81Å |
| 198 | V | 96.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 107.9 | 165.1 | -175.3 | 0 | 0 | 0 | 0 | 106.7 | I221 T422 L426 V428 R448 H449 L450 | V198-I221 HydrophobicContact CG2-CG1 4.47Å; V198-T422 HydrophobicContact CG1-CG2 3.91Å; V198-L426 HydrophobicContact CG1-CD2 4.23Å; V198-V428 HydrophobicContact CG2-CG2 3.75Å; V198-R448 PolarHBondContact N-O 3.23Å; V198-H449 WeakPolarHBondContact O-CA 3.5Å; V198-L450 PolarHBondContact O-N 2.85Å |
| 199 | V | 96.1 | Very high | 88.3 | Confident | 17 Ų | 17 | 37.9 Ų | 37.9 | 10% | 0.103 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 125.1 | -175.4 | -176.6 | 0 | 0 | 0 | 0 | 109.4 | D197 G219 E220 L450 | D197-V199 HydrophobicContact CB-CG2 3.97Å; V199-G219 CarbonylContact O-C 3.57Å; V199-G219 WeakPolarHBondContact O-CA 3.09Å; V199-E220 PolarHBondContact N-O 2.87Å; V199-E220 PolarHBondContact O-N 3.03Å; V199-L450 CarbonylContact C-O 3.57Å; V199-L450 VanDerWaalsContact CA-O 3.28Å; V199-L450 WeakPolarHBondContact CA-O 3.39Å |
| 200 | E | 95.9 | Very high | 89.9 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 137.7 | 178.2 | -67.7 | -173.6 | 160.2 | 0 | 0 | 112.2 | V217 Q218 Y291 T422 C423 S424 L450 S451 H452 | E200-V217 HydrophobicContact CB-CG1 4.02Å; E200-V217 HydrophobicContact CG-CG1 4.1Å; E200-Q218 CarbonylContact C-O 3.57Å; E200-Q218 WeakPolarHBondContact CA-O 3.46Å; E200-Y291 VanDerWaalsContact CG-OH 3.3Å; E200-Y291 WeakPolarHBondContact CG-OH 3.39Å; E200-Y291 PolarHBondContact OE1-OH 3.19Å; E200-T422 VanDerWaalsContact OE2-CA 3.29Å; E200-T422 WeakPolarHBondContact OE2-CA 2.78Å; E200-T422 WeakPolarHBondContact OE2-CB 3.49Å; E200-C423 PolarHBondContact OE2-N 3.42Å; E200-S424 WeakPolarHBondContact OE1-CB 3.42Å; E200-S424 PolarHBondContact OE1-OG 3.23Å; E200-S424 PolarHBondContact OE2-N 3.12Å; E200-L450 PolarHBondContact N-O 3.03Å; E200-S451 CarbonylContact O-C 3.56Å; E200-S451 VanDerWaalsContact O-CA 3.3Å; E200-S451 WeakPolarHBondContact O-CA 3.49Å; E200-S451 PolarHBondContact OE2-OG 2.94Å; E200-H452 PolarHBondContact O-N 3.33Å; E200-H452 PolarHBondContact O-ND1 2.9Å |
| 201 | R | 95.8 | Very high | 91.5 | Very high | 91 Ų | 91 | 35.6 Ų | 35.6 | 34% | 0.343 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 119.7 | 175.5 | -47.4 | -153.8 | 163.1 | -125.5 | -3 | 108.8 | V217 Q218 H452 D454 | R201-V217 WeakPolarHBondContact O-CA 3.45Å; R201-Q218 HydrophobicContact CB-CB 4.35Å; R201-Q218 PolarHBondContact N-O 2.97Å; R201-Q218 PolarHBondContact O-N 2.99Å; R201-H452 WeakPolarHBondContact CA-O 3.48Å; R201-H452 WeakPolarHBondContact CD-NE2 3.36Å; R201-H452 VanDerWaalsContact CG-NE2 3.31Å; R201-H452 WeakPolarHBondContact CG-NE2 3.48Å; R201-H452 PolarHBondContact NE-NE2 3.41Å; R201-H452 PolarHBondContact NH1-NE2 2.95Å; R201-H452 VanDerWaalsContact NH1-NE2 3.17Å; R201-D454 HydrophobicContact CB-CB 4.14Å; R201-D454 IonicContact NH1-OD1 2.67Å |
| 202 | L | 95.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 122.8 | -178.6 | -175.8 | 66.8 | 0 | 0 | 0 | 111 | V204 V215 V217 L297 L301 P302 F416 H452 D454 A455 Y456 | L202-V204 HydrophobicContact CD1-CG2 3.58Å; L202-V204 HydrophobicContact CD2-CG2 3.89Å; L202-V204 HydrophobicContact CG-CG2 3.54Å; L202-V215 HydrophobicContact CD1-CG2 3.84Å; L202-V217 HydrophobicContact CD1-CG2 3.42Å; L202-V217 VanDerWaalsContact CD1-CG2 3.42Å; L202-L297 HydrophobicContact CD1-CD1 4.48Å; L202-L301 HydrophobicContact CD2-CD2 4.34Å; L202-P302 HydrophobicContact CD2-CG 4Å; L202-F416 HydrophobicContact CD2-CZ 4.15Å; L202-H452 PolarHBondContact N-O 2.86Å; L202-D454 PolarHBondContact O-N 3.35Å; L202-A455 PolarHBondContact O-N 3.36Å; L202-Y456 HydrophobicContact CD2-CD2 3.99Å; L202-Y456 HydrophobicContact CD2-CE2 3.96Å; L202-Y456 HydrophobicContact CG-CD2 4.49Å |
| 203 | S | 95.6 | Very high | 93 | Very high | 21 Ų | 21 | 35 Ų | 35 | 15% | 0.147 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 111.2 | 174.1 | -78.6 | 0 | 0 | 0 | 0 | 109.7 | V215 D216 A455 | S203-V215 CarbonylContact O-C 3.54Å; S203-V215 WeakPolarHBondContact O-CA 3.44Å; S203-D216 PolarHBondContact N-O 2.99Å; S203-D216 PolarHBondContact O-N 3.17Å; S203-A455 CarbonylContact C-O 3.58Å; S203-A455 WeakPolarHBondContact CA-O 3.38Å |
| 204 | V | 95.3 | Very high | 93.3 | Very high | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.03 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 134.8 | -170.4 | 167.2 | 0 | 0 | 0 | 0 | 110.2 | L202 I206 L212 K214 V215 L301 A455 Y456 V457 | L202-V204 HydrophobicContact CD1-CG2 3.58Å; L202-V204 HydrophobicContact CD2-CG2 3.89Å; L202-V204 HydrophobicContact CG-CG2 3.54Å; V204-I206 HydrophobicContact CG1-CD1 3.87Å; V204-I206 HydrophobicContact CG1-CG1 3.7Å; V204-L212 HydrophobicContact CG1-CD1 3.95Å; V204-K214 WeakPolarHBondContact CA-O 3.43Å; V204-V215 HydrophobicContact CG2-CB 4.23Å; V204-V215 HydrophobicContact CG2-CG2 3.65Å; V204-L301 HydrophobicContact CG1-CD1 3.94Å; V204-L301 HydrophobicContact CG1-CD2 4.35Å; V204-L301 HydrophobicContact CG2-CD2 3.63Å; V204-A455 PolarHBondContact N-O 3Å; V204-A455 VanDerWaalsContact O-O 3.09Å; V204-Y456 HydrophobicContact CB-CD2 3.65Å; V204-Y456 HydrophobicContact CB-CE2 3.75Å; V204-Y456 HydrophobicContact CB-CG 4.27Å; V204-Y456 HydrophobicContact CG1-CD2 4.08Å; V204-Y456 HydrophobicContact CG1-CE2 3.74Å; V204-Y456 HydrophobicContact CG2-CD2 4.01Å; V204-Y456 HydrophobicContact CG2-CE2 3.9Å; V204-V457 PolarHBondContact O-N 3.37Å |
| 205 | L | 95.2 | Very high | 93.4 | Very high | 46 Ų | 46 | 39.6 Ų | 39.6 | 24% | 0.241 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 119.6 | 170.7 | -178 | 64.3 | 0 | 0 | 0 | 109.9 | L213 K214 V457 | L205-L213 HydrophobicContact CB-CB 4.36Å; L205-L213 HydrophobicContact CD2-CB 4.12Å; L205-L213 HydrophobicContact CD2-CD1 3.99Å; L205-L213 HydrophobicContact CG-CB 4.1Å; L205-L213 HydrophobicContact CG-CD1 4.06Å; L205-L213 WeakPolarHBondContact O-CA 3.29Å; L205-L213 WeakPolarHBondContact O-CB 3.32Å; L205-L213 PolarHBondContact O-N 2.89Å; L205-K214 HydrophobicContact CB-CB 4.07Å; L205-K214 PolarHBondContact N-O 3.03Å; L205-K214 PolarHBondContact O-N 3.06Å; L205-V457 CarbonylContact C-O 3.56Å; L205-V457 WeakPolarHBondContact CA-O 3.4Å; L205-V457 HydrophobicContact CD1-CB 3.97Å; L205-V457 HydrophobicContact CD1-CG1 3.93Å |
| 206 | I | 94.7 | Very high | 93.5 | Very high | 15 Ų | 15 | 39.5 Ų | 39.5 | 8% | 0.077 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 132.7 | 178.6 | -61.5 | 166.6 | 0 | 0 | 0 | 108.8 | V204 L212 L301 Y456 V457 I458 R459 | V204-I206 HydrophobicContact CG1-CD1 3.87Å; V204-I206 HydrophobicContact CG1-CG1 3.7Å; I206-L212 HydrophobicContact CG1-CD1 4.21Å; I206-L301 HydrophobicContact CD1-CD1 4.11Å; I206-L301 HydrophobicContact CG1-CD1 4.46Å; I206-Y456 HydrophobicContact CD1-CE1 3.99Å; I206-Y456 WeakPolarHBondContact CD1-OH 3.44Å; I206-V457 PolarHBondContact N-O 3.35Å; I206-I458 HydrophobicContact CB-CB 4.48Å; I206-I458 HydrophobicContact CB-CG1 4.09Å; I206-I458 HydrophobicContact CB-CG2 4.43Å; I206-I458 HydrophobicContact CD1-CG1 3.86Å; I206-I458 HydrophobicContact CG1-CG1 4.45Å; I206-I458 HydrophobicContact CG2-CG2 4.39Å; I206-R459 PolarHBondContact O-N 3.45Å |
| 207 | A | 93.3 | Very high | 93.5 | Very high | 12 Ų | 12 | 39.5 Ų | 39.5 | 10% | 0.099 | 23% | 0.225 | C | C | . | . | trans | -72.8 | 163.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N209 G210 S211 L213 | A207-N209 WeakPolarHBondContact CB-OD1 2.98Å; A207-N209 PolarHBondContact O-N 2.89Å; A207-G210 WeakPolarHBondContact O-CA 3.22Å; A207-G210 PolarHBondContact O-N 2.74Å; A207-S211 WeakPolarHBondContact CB-OG 3.44Å; A207-S211 PolarHBondContact N-O 3.02Å; A207-L213 HydrophobicContact CB-CD1 3.82Å; A207-L213 HydrophobicContact CB-CD2 3.99Å; A207-L213 HydrophobicContact CB-CG 3.77Å | ||
| 208 | S | 88.8 | Confident | 93.5 | Very high | 84 Ų | 84 | 42.3 Ų | 42.3 | 59% | 0.587 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -22.8 | 179.6 | 52.2 | 0 | 0 | 0 | 0 | 114.1 | G210 R459 | S208-G210 PolarHBondContact O-N 2.68Å; S208-R459 VanDerWaalsContact CA-O 3.28Å; S208-R459 WeakPolarHBondContact CA-O 3.25Å |
| 209 | N | 88.9 | Confident | 93.5 | Very high | 125 Ų | 125 | 42.4 Ų | 42.4 | 67% | 0.668 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | 1.7 | 171.3 | 69 | -6.2 | 0 | 0 | 0 | 113.4 | A207 S211 | A207-N209 WeakPolarHBondContact CB-OD1 2.98Å; A207-N209 PolarHBondContact O-N 2.89Å; N209-S211 VanDerWaalsContact C-N 3.34Å; N209-S211 PolarHBondContact ND2-OG 3.21Å; N209-S211 VanDerWaalsContact OD1-CB 3.3Å; N209-S211 WeakPolarHBondContact OD1-CB 3.35Å; N209-S211 PolarHBondContact OD1-N 3.04Å; N209-S211 PolarHBondContact OD1-OG 3.32Å |
| 210 | G | 86.6 | Confident | 93.5 | Very high | 56 Ų | 56 | 43.3 Ų | 43.3 | 58% | 0.577 | 24% | 0.242 | S | C | * | . | S | Bend | trans | 81.9 | 2.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | A207 S208 | A207-G210 WeakPolarHBondContact O-CA 3.22Å; A207-G210 PolarHBondContact O-N 2.74Å; S208-G210 PolarHBondContact O-N 2.68Å |
| 211 | S | 91.2 | Very high | 93.6 | Very high | 48 Ų | 48 | 43.3 Ų | 43.3 | 34% | 0.336 | 24% | 0.242 | S | C | . | . | trans | -73.6 | 143.7 | 174.5 | 64.3 | 0 | 0 | 0 | 0 | 111.7 | A207 N209 L213 | A207-S211 WeakPolarHBondContact CB-OG 3.44Å; A207-S211 PolarHBondContact N-O 3.02Å; N209-S211 VanDerWaalsContact C-N 3.34Å; N209-S211 PolarHBondContact ND2-OG 3.21Å; N209-S211 VanDerWaalsContact OD1-CB 3.3Å; N209-S211 WeakPolarHBondContact OD1-CB 3.35Å; N209-S211 PolarHBondContact OD1-N 3.04Å; N209-S211 PolarHBondContact OD1-OG 3.32Å; S211-L213 PolarHBondContact O-N 3.22Å | ||
| 212 | L | 91.1 | Very high | 93.5 | Very high | 77 Ų | 77 | 42.4 Ų | 42.4 | 40% | 0.403 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 120.2 | 175.9 | -175.3 | 57 | 0 | 0 | 0 | 109.4 | V204 I206 K214 V215 L301 | V204-L212 HydrophobicContact CG1-CD1 3.95Å; I206-L212 HydrophobicContact CG1-CD1 4.21Å; L212-K214 WeakPolarHBondContact CD1-O 3.4Å; L212-V215 HydrophobicContact CD1-CB 4.27Å; L212-V215 HydrophobicContact CD2-CB 4.07Å; L212-V215 HydrophobicContact CD2-CG1 3.8Å; L212-V215 HydrophobicContact CG-CB 4.49Å; L212-L301 HydrophobicContact CD1-CD1 3.73Å; L212-L301 HydrophobicContact CD2-CD1 4.28Å |
| 213 | L | 92.8 | Very high | 93.5 | Very high | 82 Ų | 82 | 42.5 Ų | 42.5 | 43% | 0.429 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | -37.9 | 177.6 | -64.9 | 179.6 | 0 | 0 | 0 | 112.5 | L205 A207 S211 | L205-L213 HydrophobicContact CB-CB 4.36Å; L205-L213 HydrophobicContact CD2-CB 4.12Å; L205-L213 HydrophobicContact CD2-CD1 3.99Å; L205-L213 HydrophobicContact CG-CB 4.1Å; L205-L213 HydrophobicContact CG-CD1 4.06Å; L205-L213 WeakPolarHBondContact O-CA 3.29Å; L205-L213 WeakPolarHBondContact O-CB 3.32Å; L205-L213 PolarHBondContact O-N 2.89Å; A207-L213 HydrophobicContact CB-CD1 3.82Å; A207-L213 HydrophobicContact CB-CD2 3.99Å; A207-L213 HydrophobicContact CB-CG 3.77Å; S211-L213 PolarHBondContact O-N 3.22Å |
| 214 | K | 92.7 | Very high | 93.3 | Very high | 114 Ų | 114 | 42 Ų | 42 | 50% | 0.496 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 138.7 | 177.9 | -176 | 175.9 | 179.7 | 179.3 | 0 | 109.4 | V204 L205 L212 | V204-K214 WeakPolarHBondContact CA-O 3.43Å; L205-K214 HydrophobicContact CB-CB 4.07Å; L205-K214 PolarHBondContact N-O 3.03Å; L205-K214 PolarHBondContact O-N 3.06Å; L212-K214 WeakPolarHBondContact CD1-O 3.4Å |
| 215 | V | 93.1 | Very high | 93 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 132.4 | 162.3 | 61.2 | 0 | 0 | 0 | 0 | 110.2 | L202 S203 V204 L212 S294 D295 L297 L301 | L202-V215 HydrophobicContact CD1-CG2 3.84Å; S203-V215 CarbonylContact O-C 3.54Å; S203-V215 WeakPolarHBondContact O-CA 3.44Å; V204-V215 HydrophobicContact CG2-CB 4.23Å; V204-V215 HydrophobicContact CG2-CG2 3.65Å; L212-V215 HydrophobicContact CD1-CB 4.27Å; L212-V215 HydrophobicContact CD2-CB 4.07Å; L212-V215 HydrophobicContact CD2-CG1 3.8Å; L212-V215 HydrophobicContact CG-CB 4.49Å; V215-S294 WeakPolarHBondContact O-CA 3.39Å; V215-D295 PolarHBondContact O-N 3.22Å; V215-L297 HydrophobicContact CB-CD1 4.33Å; V215-L297 HydrophobicContact CG1-CD1 4.34Å; V215-L297 HydrophobicContact CG1-CG 4.24Å; V215-L297 HydrophobicContact CG2-CD1 3.33Å; V215-L297 HydrophobicContact CG2-CG 3.79Å; V215-L301 HydrophobicContact CG2-CD2 4.24Å |
| 216 | D | 94.5 | Very high | 92.6 | Very high | 8 Ų | 8 | 40.4 Ų | 40.4 | 4% | 0.043 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 130.2 | 175.9 | -175.2 | 48 | 0 | 0 | 0 | 108.4 | S203 Q218 Q292 L293 S294 | S203-D216 PolarHBondContact N-O 2.99Å; S203-D216 PolarHBondContact O-N 3.17Å; D216-Q218 PolarHBondContact OD2-NE2 2.98Å; D216-Q292 VanDerWaalsContact OD1-CG 3.31Å; D216-Q292 WeakPolarHBondContact OD1-CG 3.47Å; D216-Q292 PolarHBondContact OD1-NE2 2.65Å; D216-Q292 PolarHBondContact OD2-NE2 2.94Å; D216-L293 CarbonylContact C-O 3.47Å; D216-L293 WeakPolarHBondContact CA-O 3.4Å; D216-S294 PolarHBondContact OD1-OG 2.99Å; D216-S294 VanDerWaalsContact OD1-OG 3.07Å |
| 217 | V | 95 | Very high | 92 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 118.9 | 173 | 176.8 | 0 | 0 | 0 | 0 | 108.3 | E200 R201 L202 Q292 L293 L297 C423 | E200-V217 HydrophobicContact CB-CG1 4.02Å; E200-V217 HydrophobicContact CG-CG1 4.1Å; R201-V217 WeakPolarHBondContact O-CA 3.45Å; L202-V217 HydrophobicContact CD1-CG2 3.42Å; L202-V217 VanDerWaalsContact CD1-CG2 3.42Å; V217-Q292 WeakPolarHBondContact O-CA 3.48Å; V217-L293 HydrophobicContact CB-CB 4.24Å; V217-L293 HydrophobicContact CB-CD2 4.37Å; V217-L293 HydrophobicContact CG2-CD2 4.43Å; V217-L293 PolarHBondContact N-O 3.17Å; V217-L293 PolarHBondContact O-N 2.83Å; V217-L297 HydrophobicContact CG2-CD2 3.78Å; V217-C423 HydrophobicContact CG2-CB 4.23Å |
| 218 | Q | 96 | Very high | 91.1 | Very high | 83 Ų | 83 | 42.5 Ų | 42.5 | 39% | 0.388 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 113 | 171.7 | -64.4 | 176.5 | 9.2 | 0 | 0 | 108.6 | E200 R201 D216 Q292 | E200-Q218 CarbonylContact C-O 3.57Å; E200-Q218 WeakPolarHBondContact CA-O 3.46Å; R201-Q218 HydrophobicContact CB-CB 4.35Å; R201-Q218 PolarHBondContact N-O 2.97Å; R201-Q218 PolarHBondContact O-N 2.99Å; D216-Q218 PolarHBondContact OD2-NE2 2.98Å; Q218-Q292 HydrophobicContact CG-CG 4.4Å |
| 219 | G | 95.7 | Very high | 90.2 | Very high | 2 Ų | 2 | 42 Ų | 42 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 144.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V199 R290 Y291 | V199-G219 CarbonylContact O-C 3.57Å; V199-G219 WeakPolarHBondContact O-CA 3.09Å; G219-R290 CarbonylContact O-C 3.56Å; G219-R290 VanDerWaalsContact O-CA 3.3Å; G219-R290 WeakPolarHBondContact O-CA 3.44Å; G219-Y291 VanDerWaalsContact CA-CZ 3.49Å; G219-Y291 PolarHBondContact N-O 3Å; G219-Y291 WeakPolarHBondContact O-CD1 3.33Å; G219-Y291 PolarHBondContact O-N 3.36Å |
| 220 | E | 96.8 | Very high | 89.4 | Confident | 37 Ų | 37 | 38.4 Ų | 38.4 | 17% | 0.173 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 137.1 | 174.3 | -56.6 | -171 | 142.9 | 0 | 0 | 110.1 | V199 R222 T287 M289 R290 | V199-E220 PolarHBondContact N-O 2.87Å; V199-E220 PolarHBondContact O-N 3.03Å; E220-R222 HydrophobicContact CB-CG 4.35Å; E220-R222 IonicContact OE2-CZ 2.97Å; E220-R222 IonicContact OE2-NE 3.2Å; E220-R222 PolarHBondContact OE2-NE 3.2Å; E220-R222 IonicContact OE2-NH2 2.79Å; E220-R222 PolarHBondContact OE2-NH2 2.73Å; E220-T287 HydrophobicContact CB-CG2 4.38Å; E220-M289 WeakPolarHBondContact CA-O 3.2Å; E220-R290 HydrophobicContact CG-CB 4.44Å; E220-R290 HydrophobicContact CG-CG 3.99Å; E220-R290 WeakPolarHBondContact OE1-CD 3.47Å; E220-R290 IonicContact OE1-CZ 2.69Å; E220-R290 IonicContact OE1-NE 3.52Å; E220-R290 PolarHBondContact OE1-NE 3.07Å; E220-R290 IonicContact OE1-NH2 3.86Å |
| 221 | I | 96.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 107.9 | 167.1 | -56 | -176.8 | 0 | 0 | 0 | 107.5 | L196 D197 V198 L237 V288 M289 Y291 L426 | L196-I221 HydrophobicContact CD1-CG2 3.54Å; L196-I221 HydrophobicContact CG-CG2 4.1Å; D197-I221 CarbonylContact O-C 3.48Å; D197-I221 WeakPolarHBondContact O-CA 3.07Å; V198-I221 HydrophobicContact CG2-CG1 4.47Å; I221-L237 HydrophobicContact CD1-CD1 4.4Å; I221-L237 HydrophobicContact CD1-CD2 3.74Å; I221-V288 HydrophobicContact CG2-CB 4.38Å; I221-V288 PolarHBondContact O-N 2.88Å; I221-M289 HydrophobicContact CB-CB 4.32Å; I221-M289 HydrophobicContact CD1-CB 4.3Å; I221-M289 HydrophobicContact CD1-CE 4.14Å; I221-M289 HydrophobicContact CD1-SD 4.11Å; I221-M289 HydrophobicContact CG1-CB 4.4Å; I221-M289 PolarHBondContact N-O 3.18Å; I221-Y291 HydrophobicContact CG1-CE1 4.42Å; I221-L426 HydrophobicContact CD1-CD2 4.16Å; I221-L426 HydrophobicContact CG1-CD2 4.45Å |
| 222 | R | 95.3 | Very high | 89.1 | Confident | 73 Ų | 73 | 35.2 Ų | 35.2 | 28% | 0.275 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 131.6 | 177.9 | -59.5 | -177.2 | -176.9 | -166.2 | -0.8 | 110 | L196 D197 E220 E285 | L196-R222 CarbonylContact C-O 3.53Å; L196-R222 WeakPolarHBondContact CA-O 3.36Å; D197-R222 HydrophobicContact CB-CB 4.36Å; D197-R222 PolarHBondContact N-O 3.48Å; D197-R222 PolarHBondContact O-N 3.11Å; E220-R222 HydrophobicContact CB-CG 4.35Å; E220-R222 IonicContact OE2-CZ 2.97Å; E220-R222 IonicContact OE2-NE 3.2Å; E220-R222 PolarHBondContact OE2-NE 3.2Å; E220-R222 IonicContact OE2-NH2 2.79Å; E220-R222 PolarHBondContact OE2-NH2 2.73Å; R222-E285 IonicContact NH1-OE1 2.79Å |
| 223 | L | 94 | Very high | 89.1 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 133 | 178 | 176.9 | 75.2 | 0 | 0 | 0 | 108.3 | V194 F195 L196 M233 L279 P281 E285 L286 V288 | V194-L223 HydrophobicContact CG1-CD1 3.3Å; V194-L223 HydrophobicContact CG1-CG 4.47Å; F195-L223 CarbonylContact O-C 3.54Å; F195-L223 WeakPolarHBondContact O-CA 3.18Å; L196-L223 HydrophobicContact CD1-CB 4.21Å; L196-L223 HydrophobicContact CD1-CD1 3.92Å; L223-M233 HydrophobicContact CD1-CE 3.69Å; L223-M233 HydrophobicContact CD1-SD 3.96Å; L223-M233 HydrophobicContact CD2-CE 3.35Å; L223-M233 HydrophobicContact CD2-SD 4.34Å; L223-M233 HydrophobicContact CG-CE 4.16Å; L223-L279 HydrophobicContact CD2-CD1 4.26Å; L223-P281 HydrophobicContact CD2-CB 3.26Å; L223-P281 HydrophobicContact CD2-CG 3.93Å; L223-E285 CarbonylContact O-C 3.59Å; L223-E285 WeakPolarHBondContact O-CA 3.41Å; L223-L286 PolarHBondContact N-O 2.88Å; L223-L286 PolarHBondContact O-N 2.75Å; L223-V288 HydrophobicContact CB-CG2 3.62Å; L223-V288 HydrophobicContact CD2-CG2 4.21Å |
| 224 | K | 91.4 | Very high | 89.1 | Confident | 12 Ų | 12 | 31.5 Ų | 31.5 | 5% | 0.052 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 115.6 | 162.2 | -164.6 | 171.2 | -174.2 | 163.4 | 0 | 110.4 | A177 R179 F195 F226 G284 | A177-K224 WeakPolarHBondContact O-CD 3.44Å; A177-K224 VanDerWaalsContact O-CE 3.29Å; A177-K224 WeakPolarHBondContact O-CE 3.22Å; A177-K224 PolarHBondContact O-NZ 2.83Å; R179-K224 PolarHBondContact O-NZ 2.9Å; F195-K224 HydrophobicContact CB-CB 4.36Å; F195-K224 PolarHBondContact N-O 2.79Å; F195-K224 PolarHBondContact O-N 3.06Å; K224-F226 HydrophobicContact CD-CE2 4.04Å; K224-F226 HydrophobicContact CD-CZ 3.88Å; K224-F226 HydrophobicContact CG-CE2 3.96Å; K224-F226 HydrophobicContact CG-CZ 4.18Å; K224-G284 WeakPolarHBondContact CA-O 3.04Å |
| 225 | S | 89.5 | Confident | 89.3 | Confident | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.014 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 125.2 | -177.7 | -175.2 | 0 | 0 | 0 | 0 | 111.1 | L227 G284 | S225-L227 WeakPolarHBondContact OG-CB 3.23Å; S225-L227 PolarHBondContact OG-N 3.46Å; S225-G284 PolarHBondContact N-O 2.85Å; S225-G284 PolarHBondContact O-N 2.89Å |
| 226 | F | 86.4 | Confident | 89.4 | Confident | 15 Ų | 15 | 26 Ų | 26 | 7% | 0.066 | 14% | 0.143 | C | C | . | . | trans | -103.4 | 16.4 | 165.9 | -59.5 | -91.5 | 0 | 0 | 0 | 111.2 | V181 E193 F195 K224 | V181-F226 HydrophobicContact CG2-CE1 4.45Å; E193-F226 HydrophobicContact CB-CD2 4.45Å; E193-F226 WeakPolarHBondContact O-CB 3.32Å; E193-F226 PolarHBondContact O-N 2.79Å; F195-F226 AromaticContact CD2-CD2 3.92Å; F195-F226 HydrophobicContact CD2-CD2 3.92Å; F195-F226 AromaticContact CD2-CE2 3.55Å; F195-F226 HydrophobicContact CD2-CE2 3.55Å; F195-F226 AromaticContact CE2-CD2 3.81Å; F195-F226 HydrophobicContact CE2-CD2 3.81Å; F195-F226 AromaticContact CE2-CE2 3.5Å; F195-F226 HydrophobicContact CE2-CE2 3.5Å; F195-F226 VanDerWaalsContact CE2-CE2 3.5Å; K224-F226 HydrophobicContact CD-CE2 4.04Å; K224-F226 HydrophobicContact CD-CZ 3.88Å; K224-F226 HydrophobicContact CG-CE2 3.96Å; K224-F226 HydrophobicContact CG-CZ 4.18Å | ||
| 227 | L | 82.3 | Confident | 89.4 | Confident | 4 Ų | 4 | 25.6 Ų | 25.6 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -83 | 152.6 | 178.9 | -57.6 | -178.9 | 0 | 0 | 0 | 111.3 | N192 V194 S225 L433 P443 | N192-L227 HydrophobicContact CB-CD2 3.69Å; V194-L227 HydrophobicContact CG2-CD1 3.42Å; V194-L227 VanDerWaalsContact CG2-CD1 3.42Å; V194-L227 HydrophobicContact CG2-CD2 4.06Å; V194-L227 HydrophobicContact CG2-CG 3.54Å; S225-L227 WeakPolarHBondContact OG-CB 3.23Å; S225-L227 PolarHBondContact OG-N 3.46Å; L227-L433 HydrophobicContact CD1-CD1 3.79Å; L227-L433 HydrophobicContact CD1-CD2 3.61Å; L227-L433 HydrophobicContact CD1-CG 4.36Å; L227-P443 HydrophobicContact CD2-CB 3.74Å; L227-P443 HydrophobicContact CD2-CG 4.46Å |
| 228 | P | 75 | Confident | 89.1 | Confident | 66 Ų | 66 | 26.5 Ų | 26.5 | 43% | 0.429 | 15% | 0.147 | S | C | . | . | P | Polyproline II helix | trans | -56.2 | 140.9 | 164.9 | -22 | 33 | 0 | 0 | 0 | 111.5 | S231 | P228-S231 PolarHBondContact O-OG 3.41Å; P228-S231 VanDerWaalsContact O-OG 3.09Å |
| 229 | S | 68.9 | Low | 88.6 | Confident | 75 Ų | 75 | 27.7 Ų | 27.7 | 52% | 0.524 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 144.4 | 178.6 | 58.3 | 0 | 0 | 0 | 0 | 112.2 | E135 | E135-S229 VanDerWaalsContact CD-CB 3.5Å; E135-S229 WeakPolarHBondContact OE1-CB 3.47Å; E135-S229 WeakPolarHBondContact OE2-CB 3.4Å |
| 230 | G | 72.5 | Confident | 87.9 | Confident | 48 Ų | 48 | 31.2 Ų | 31.2 | 50% | 0.495 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.5 | 1.1 | 176 | 0 | 0 | 0 | 0 | 0 | 115.5 | E232 | G230-E232 PolarHBondContact O-N 2.93Š|
| 231 | S | 81.9 | Confident | 87.4 | Confident | 8 Ų | 8 | 29.5 Ų | 29.5 | 6% | 0.056 | 16% | 0.16 | C | C | . | . | trans | -71.6 | 112.2 | 173.6 | -62.5 | 0 | 0 | 0 | 0 | 110.8 | P228 M233 P281 | P228-S231 PolarHBondContact O-OG 3.41Å; P228-S231 VanDerWaalsContact O-OG 3.09Å; S231-M233 PolarHBondContact O-N 2.94Å; S231-P281 VanDerWaalsContact O-CD 3.28Å; S231-P281 WeakPolarHBondContact O-CD 3.45Å | ||
| 232 | E | 88.3 | Confident | 86.7 | Confident | 30 Ų | 30 | 29.6 Ų | 29.6 | 14% | 0.14 | 16% | 0.161 | C | C | . | . | trans | -67.8 | 134.3 | 174.3 | 172.1 | 176.5 | -75.2 | 0 | 0 | 111.7 | G230 R234 R278 Q280 L433 A434 | G230-E232 PolarHBondContact O-N 2.93Å; E232-R234 IonicContact OE2-CZ 3.76Å; E232-R234 IonicContact OE2-NE 3.76Å; E232-R234 IonicContact OE2-NH2 3.5Å; E232-R234 PolarHBondContact OE2-NH2 2.81Å; E232-R278 HydrophobicContact CG-CG 4.33Å; E232-R278 IonicContact OE1-CZ 3.73Å; E232-R278 IonicContact OE1-NE 3.42Å; E232-R278 PolarHBondContact OE1-NE 3.32Å; E232-R278 IonicContact OE1-NH2 3.93Å; E232-R278 PolarHBondContact OE1-NH2 2.89Å; E232-R278 IonicContact OE2-CZ 2.96Å; E232-R278 IonicContact OE2-NE 2.66Å; E232-R278 PolarHBondContact OE2-NE 3.25Å; E232-R278 IonicContact OE2-NH2 3.07Å; E232-Q280 HydrophobicContact CB-CG 4.29Å; E232-L433 WeakPolarHBondContact O-CA 3.12Å; E232-A434 HydrophobicContact CB-CB 3.99Å; E232-A434 HydrophobicContact CG-CB 4.09Å; E232-A434 PolarHBondContact O-N 3.17Å | ||
| 233 | M | 91.2 | Very high | 86.2 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 143.9 | 179.8 | -168.8 | 173.9 | 68.5 | 0 | 0 | 111.1 | V194 L223 S231 I235 R278 L279 P281 L431 R432 L433 | V194-M233 HydrophobicContact CG1-SD 4.22Å; L223-M233 HydrophobicContact CD1-CE 3.69Å; L223-M233 HydrophobicContact CD1-SD 3.96Å; L223-M233 HydrophobicContact CD2-CE 3.35Å; L223-M233 HydrophobicContact CD2-SD 4.34Å; L223-M233 HydrophobicContact CG-CE 4.16Å; S231-M233 PolarHBondContact O-N 2.94Å; M233-I235 HydrophobicContact CE-CD1 3.76Å; M233-I235 HydrophobicContact CE-CG1 3.93Å; M233-R278 WeakPolarHBondContact O-CA 3.49Å; M233-L279 HydrophobicContact CB-CD2 4.46Å; M233-L279 HydrophobicContact CE-CD1 3.93Å; M233-L279 HydrophobicContact CE-CD2 3.64Å; M233-L279 HydrophobicContact CE-CG 3.84Å; M233-L279 PolarHBondContact N-O 3.07Å; M233-L279 PolarHBondContact O-N 2.95Å; M233-P281 HydrophobicContact CB-CG 4.45Å; M233-P281 HydrophobicContact CE-CG 4.2Å; M233-P281 HydrophobicContact SD-CG 4.46Å; M233-L431 HydrophobicContact CE-CD1 4.38Å; M233-L431 HydrophobicContact CG-CD1 3.73Å; M233-L431 HydrophobicContact SD-CD1 3.54Å; M233-L431 VanDerWaalsContact SD-CD1 3.54Å; M233-L431 HydrophobicContact SD-CG 4.38Å; M233-R432 CarbonylContact C-O 3.59Å; M233-R432 WeakPolarHBondContact CA-O 3.41Å; M233-R432 WeakPolarHBondContact CG-O 3.4Å; M233-L433 HydrophobicContact CB-CD2 3.78Å; M233-L433 HydrophobicContact CG-CD2 3.67Å; M233-L433 HydrophobicContact SD-CD2 4.11Å |
| 234 | R | 94.3 | Very high | 85.5 | Confident | 81 Ų | 81 | 29.6 Ų | 29.6 | 31% | 0.306 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 123.6 | 172.9 | -60 | -172.9 | -165.4 | -168.6 | 3.5 | 110.1 | E232 E270 I276 L277 R278 F430 R432 | E232-R234 IonicContact OE2-CZ 3.76Å; E232-R234 IonicContact OE2-NE 3.76Å; E232-R234 IonicContact OE2-NH2 3.5Å; E232-R234 PolarHBondContact OE2-NH2 2.81Å; R234-E270 IonicContact CZ-OE1 3.42Å; R234-E270 IonicContact NE-OE1 2.7Å; R234-E270 IonicContact NH1-OE1 3.27Å; R234-E270 PolarHBondContact NH1-OE1 3.15Å; R234-E270 IonicContact NH1-OE2 3.76Å; R234-E270 PolarHBondContact NH1-OE2 2.83Å; R234-I276 HydrophobicContact CB-CG2 3.95Å; R234-I276 HydrophobicContact CG-CG2 4.37Å; R234-L277 WeakPolarHBondContact CA-O 3.27Å; R234-R278 HydrophobicContact CG-CG 4.44Å; R234-F430 HydrophobicContact CB-CE2 4.48Å; R234-R432 HydrophobicContact CB-CB 4.34Å; R234-R432 PolarHBondContact N-O 2.69Å; R234-R432 PolarHBondContact O-N 2.78Å |
| 235 | I | 95.9 | Very high | 84.3 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 114.2 | 176.1 | -51.8 | 172 | 0 | 0 | 0 | 107.2 | L196 M233 L237 I276 L277 L279 V288 V428 L431 | L196-I235 HydrophobicContact CD1-CD1 3.95Å; L196-I235 HydrophobicContact CD2-CG2 3.98Å; M233-I235 HydrophobicContact CE-CD1 3.76Å; M233-I235 HydrophobicContact CE-CG1 3.93Å; I235-L237 HydrophobicContact CG2-CD2 3.95Å; I235-I276 CarbonylContact O-C 3.54Å; I235-I276 WeakPolarHBondContact O-CA 3.16Å; I235-L277 HydrophobicContact CB-CB 4.27Å; I235-L277 PolarHBondContact N-O 3.24Å; I235-L277 PolarHBondContact O-N 3.39Å; I235-L279 HydrophobicContact CD1-CD2 3.94Å; I235-L279 HydrophobicContact CG1-CD2 4.19Å; I235-V288 HydrophobicContact CD1-CG1 4.14Å; I235-V288 HydrophobicContact CD1-CG2 4.43Å; I235-V428 HydrophobicContact CG2-CG1 3.99Å; I235-L431 HydrophobicContact CG1-CD1 3.73Å |
| 236 | G | 95.3 | Very high | 83.1 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 119.3 | 174 | 0 | 0 | 0 | 0 | 0 | 110.6 | V428 R429 F430 | G236-V428 CarbonylContact O-C 3.58Å; G236-R429 PolarHBondContact O-N 3.5Å; G236-F430 PolarHBondContact N-O 2.87Å |
| 237 | L | 94.3 | Very high | 81.7 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 167.6 | 175.1 | -53.5 | -178.7 | 0 | 0 | 0 | 110.9 | I221 I235 E239 F271 R275 L277 M289 L426 V428 R429 | I221-L237 HydrophobicContact CD1-CD1 4.4Å; I221-L237 HydrophobicContact CD1-CD2 3.74Å; I235-L237 HydrophobicContact CG2-CD2 3.95Å; L237-E239 PolarHBondContact O-N 3.21Å; L237-F271 HydrophobicContact CD1-CE2 4.29Å; L237-R275 HydrophobicContact CB-CB 4.29Å; L237-R275 PolarHBondContact N-O 3.29Å; L237-L277 HydrophobicContact CD1-CD1 4.08Å; L237-L277 HydrophobicContact CD1-CG 4.23Å; L237-M289 HydrophobicContact CD1-CE 4.21Å; L237-M289 HydrophobicContact CD1-SD 3.93Å; L237-L426 HydrophobicContact CB-CD1 4.3Å; L237-V428 HydrophobicContact CD2-CG2 4.46Å; L237-R429 WeakPolarHBondContact O-CD 3.12Å |
| 238 | T | 90 | Very high | 80.6 | Confident | 18 Ų | 18 | 52.4 Ų | 52.4 | 11% | 0.11 | 29% | 0.285 | C | S | . | . | trans | -45.3 | 131.3 | 169.7 | -53.1 | 0 | 0 | 0 | 0 | 111.4 | E240 F241 I255 Q427 | T238-E240 VanDerWaalsContact C-N 3.3Å; T238-E240 WeakPolarHBondContact CG2-OE2 3.29Å; T238-E240 PolarHBondContact O-N 3.48Å; T238-F241 VanDerWaalsContact O-CB 3.22Å; T238-F241 WeakPolarHBondContact O-CB 3.31Å; T238-F241 PolarHBondContact O-N 2.82Å; T238-I255 HydrophobicContact CG2-CD1 3.69Å; T238-Q427 PolarHBondContact N-O 2.84Å; T238-Q427 VanDerWaalsContact N-O 3.12Å; T238-Q427 PolarHBondContact OG1-N 2.91Å; T238-Q427 PolarHBondContact OG1-O 2.8Å | ||
| 239 | E | 84.5 | Confident | 79.6 | Confident | 108 Ų | 108 | 57.8 Ų | 57.8 | 51% | 0.505 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -32.6 | -174 | -65.9 | -171.4 | 162.7 | 0 | 0 | 112.1 | L237 F241 R429 | L237-E239 PolarHBondContact O-N 3.21Å; E239-F241 PolarHBondContact O-N 2.93Å; E239-R429 VanDerWaalsContact CD-NH1 3.29Å; E239-R429 VanDerWaalsContact CG-CZ 3.49Å; E239-R429 IonicContact OE1-CZ 3.14Å; E239-R429 IonicContact OE1-NH1 3.85Å; E239-R429 PolarHBondContact OE1-NH1 3.5Å; E239-R429 IonicContact OE1-NH2 3.03Å; E239-R429 PolarHBondContact OE1-NH2 2.78Å |
| 240 | E | 81.8 | Confident | 79 | Confident | 77 Ų | 77 | 56.7 Ų | 56.7 | 36% | 0.36 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 8.3 | 178.8 | -51.8 | 86.2 | 171.9 | 0 | 0 | 113.2 | T238 C242 G254 I255 | T238-E240 VanDerWaalsContact C-N 3.3Å; T238-E240 WeakPolarHBondContact CG2-OE2 3.29Å; T238-E240 PolarHBondContact O-N 3.48Å; E240-C242 PolarHBondContact O-N 2.86Å; E240-G254 WeakPolarHBondContact O-CA 3.44Å; E240-I255 PolarHBondContact O-N 2.49Å |
| 241 | F | 86.1 | Confident | 78 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 129 | 171.9 | -173 | -90.7 | 0 | 0 | 0 | 110.3 | T238 E239 V243 I255 V257 V260 F271 R275 M289 L426 | T238-F241 VanDerWaalsContact O-CB 3.22Å; T238-F241 WeakPolarHBondContact O-CB 3.31Å; T238-F241 PolarHBondContact O-N 2.82Å; E239-F241 PolarHBondContact O-N 2.93Å; F241-V243 HydrophobicContact CD1-CG2 4.4Å; F241-V243 HydrophobicContact CE1-CG2 3.72Å; F241-I255 CarbonylContact C-O 3.56Å; F241-I255 WeakPolarHBondContact CA-O 3.41Å; F241-I255 HydrophobicContact CD2-CB 4.31Å; F241-I255 HydrophobicContact CD2-CG2 4.03Å; F241-I255 HydrophobicContact CE2-CG2 4.42Å; F241-V257 HydrophobicContact CE1-CG2 3.84Å; F241-V257 HydrophobicContact CE2-CB 4.49Å; F241-V257 HydrophobicContact CE2-CG1 3.7Å; F241-V257 HydrophobicContact CE2-CG2 3.9Å; F241-V257 HydrophobicContact CZ-CB 4.34Å; F241-V257 HydrophobicContact CZ-CG1 4.01Å; F241-V257 HydrophobicContact CZ-CG2 3.37Å; F241-V260 HydrophobicContact CE1-CG2 4.11Å; F241-V260 HydrophobicContact CZ-CG2 3.85Å; F241-F271 HydrophobicContact CD1-CE2 4.32Å; F241-F271 AromaticContact CD1-CZ 3.86Å; F241-F271 HydrophobicContact CD1-CZ 3.86Å; F241-F271 HydrophobicContact CE1-CE2 4.34Å; F241-F271 AromaticContact CE1-CZ 3.72Å; F241-F271 HydrophobicContact CE1-CZ 3.72Å; F241-R275 HydrophobicContact CB-CG 4.34Å; F241-R275 VanDerWaalsContact O-CZ 3.3Å; F241-R275 PolarHBondContact O-NE 2.78Å; F241-R275 PolarHBondContact O-NH2 2.88Å; F241-R275 VanDerWaalsContact O-NH2 3.15Å; F241-M289 HydrophobicContact CE1-CE 4.41Å; F241-M289 HydrophobicContact CE2-CE 3.94Å; F241-M289 HydrophobicContact CZ-CE 3.57Å; F241-L426 HydrophobicContact CD2-CD1 3.73Å; F241-L426 HydrophobicContact CE2-CD1 4.07Å |
| 242 | C | 82.9 | Confident | 76.7 | Confident | 2 Ų | 2 | 67.7 Ų | 67.7 | 1% | 0.014 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 140.8 | -178.3 | -65.2 | 0 | 0 | 0 | 0 | 109.8 | E240 L248 I255 R256 V257 | E240-C242 PolarHBondContact O-N 2.86Å; C242-L248 HydrophobicContact CB-CD2 4.31Å; C242-I255 PolarHBondContact N-O 2.79Å; C242-R256 CarbonylContact O-C 3.4Å; C242-R256 WeakPolarHBondContact O-CA 3.29Å; C242-V257 WeakPolarHBondContact O-CG2 3.41Å; C242-V257 PolarHBondContact O-N 2.8Å |
| 243 | V | 84.3 | Confident | 75.2 | Confident | 53 Ų | 53 | 72 Ų | 72 | 32% | 0.321 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 131.2 | 177.8 | -172 | 0 | 0 | 0 | 0 | 109.8 | F241 S246 V257 V260 F271 | F241-V243 HydrophobicContact CD1-CG2 4.4Å; F241-V243 HydrophobicContact CE1-CG2 3.72Å; V243-S246 WeakPolarHBondContact O-CB 2.91Å; V243-V257 CarbonylContact C-O 3.6Å; V243-V257 WeakPolarHBondContact CA-O 3.49Å; V243-V257 HydrophobicContact CB-CG2 4.4Å; V243-V257 HydrophobicContact CG1-CG2 4.49Å; V243-V257 HydrophobicContact CG2-CG2 3.97Å; V243-V260 HydrophobicContact CG1-CG2 4.09Å; V243-V260 HydrophobicContact CG2-CB 4.38Å; V243-V260 HydrophobicContact CG2-CG2 3.68Å; V243-F271 HydrophobicContact CG2-CE1 4.45Å; V243-F271 HydrophobicContact CG2-CZ 4.48Å |
| 244 | G | 79.3 | Confident | 74.1 | Confident | 22 Ų | 22 | 72.6 Ų | 72.6 | 23% | 0.227 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | -142.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S246 R256 V257 | G244-S246 PolarHBondContact O-N 2.93Å; G244-R256 WeakPolarHBondContact O-CG 3.37Å; G244-R256 PolarHBondContact O-NH1 2.83Å; G244-V257 PolarHBondContact N-O 2.84Å |
| 245 | K | 66 | Low | 73.5 | Confident | 210 Ų | 210 | 69.1 Ų | 69.1 | 91% | 0.913 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | 14.9 | -178.3 | -64.1 | -177.2 | -179.4 | 177.4 | 0 | 114.2 | E247 | K245-E247 PolarHBondContact O-N 2.77Š|
| 246 | S | 63.3 | Low | 73 | Confident | 55 Ų | 55 | 72.3 Ų | 72.3 | 39% | 0.385 | 37% | 0.37 | S | S | . | . | trans | -55.7 | 141.6 | 175.4 | -172.9 | 0 | 0 | 0 | 0 | 110.4 | V243 G244 L248 R256 | V243-S246 WeakPolarHBondContact O-CB 2.91Å; G244-S246 PolarHBondContact O-N 2.93Å; S246-L248 PolarHBondContact O-N 3.36Å; S246-R256 PolarHBondContact O-NH1 2.89Å | ||
| 247 | E | 58.4 | Low | 72.7 | Confident | 173 Ų | 173 | 72.3 Ų | 72.3 | 81% | 0.808 | 37% | 0.37 | S | S | * | . | trans | -57.7 | 131.3 | 176.2 | -66.2 | -173.9 | 171.7 | 0 | 0 | 109.3 | K245 R249 | K245-E247 PolarHBondContact O-N 2.77Å; E247-R249 PolarHBondContact O-N 3.01Å; E247-R249 VanDerWaalsContact O-N 3.14Å | ||
| 248 | L | 58 | Low | 72.5 | Confident | 75 Ų | 75 | 75.6 Ų | 75.6 | 39% | 0.393 | 39% | 0.388 | S | S | . | . | trans | -65.3 | 114 | 175.6 | -72 | 163.4 | 0 | 0 | 0 | 107.8 | C242 S246 G250 | C242-L248 HydrophobicContact CB-CD2 4.31Å; S246-L248 PolarHBondContact O-N 3.36Å; L248-G250 PolarHBondContact O-N 2.66Å | ||
| 249 | R | 55 | Low | 72.5 | Confident | 178 Ų | 178 | 81 Ų | 81 | 67% | 0.672 | 41% | 0.412 | S | S | * | . | trans | -78.6 | 99.6 | 167.8 | -73.5 | -173.6 | 177.2 | 178.5 | 2 | 108.2 | E247 | E247-R249 PolarHBondContact O-N 3.01Å; E247-R249 VanDerWaalsContact O-N 3.14Å | ||
| 250 | G | 54.9 | Low | 73 | Confident | 52 Ų | 52 | 77.5 Ų | 77.5 | 54% | 0.536 | 40% | 0.398 | S | S | . | . | S | Bend | trans | 137.1 | 169.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L248 | L248-G250 PolarHBondContact O-N 2.66Š|
| 251 | Y | 52.3 | Low | 73.6 | Confident | 255 Ų | 255 | 76.7 Ų | 76.7 | 100% | 1 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -95.3 | 14.4 | -180 | -72.6 | -86.9 | 0 | 0 | 0 | 113.4 | ||
| 252 | G | 54.2 | Low | 74 | Confident | 32 Ų | 32 | 79.5 Ų | 79.5 | 33% | 0.33 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -112.8 | 166.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | G254 | G252-G254 VanDerWaalsContact C-N 3.31Å; G252-G254 PolarHBondContact O-N 3.28Å |
| 253 | P | 57.6 | Low | 74.5 | Confident | 120 Ų | 120 | 82 Ų | 82 | 78% | 0.779 | 42% | 0.424 | S | S | * | . | trans | -67.9 | 92.1 | 169.8 | 29.3 | -31.5 | 0 | 0 | 0 | 108.2 | ||||
| 254 | G | 68.1 | Low | 74.7 | Confident | 13 Ų | 13 | 84.9 Ų | 84.9 | 13% | 0.134 | 45% | 0.447 | C | S | . | . | trans | -72.1 | 154.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E240 G252 R256 | E240-G254 WeakPolarHBondContact O-CA 3.44Å; G252-G254 VanDerWaalsContact C-N 3.31Å; G252-G254 PolarHBondContact O-N 3.28Å; G254-R256 PolarHBondContact O-N 2.63Å | ||
| 255 | I | 81.8 | Confident | 75.2 | Confident | 8 Ų | 8 | 85.7 Ų | 85.7 | 4% | 0.041 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 102.4 | 177 | -54.5 | 166.5 | 0 | 0 | 0 | 106.4 | T238 E240 F241 C242 V257 S424 G425 L426 | T238-I255 HydrophobicContact CG2-CD1 3.69Å; E240-I255 PolarHBondContact O-N 2.49Å; F241-I255 CarbonylContact C-O 3.56Å; F241-I255 WeakPolarHBondContact CA-O 3.41Å; F241-I255 HydrophobicContact CD2-CB 4.31Å; F241-I255 HydrophobicContact CD2-CG2 4.03Å; F241-I255 HydrophobicContact CE2-CG2 4.42Å; C242-I255 PolarHBondContact N-O 2.79Å; I255-V257 HydrophobicContact CG2-CG1 4.2Å; I255-S424 WeakPolarHBondContact CG1-O 3.44Å; I255-S424 WeakPolarHBondContact CG2-O 3.39Å; I255-G425 VanDerWaalsContact CD1-C 3.43Å; I255-G425 WeakPolarHBondContact CD1-O 3.33Å; I255-L426 VanDerWaalsContact CD1-CA 3.5Å; I255-L426 HydrophobicContact CD1-CB 4.29Å; I255-L426 HydrophobicContact CD1-CD1 4.37Å |
| 256 | R | 84.9 | Confident | 76.5 | Confident | 67 Ų | 67 | 76.4 Ų | 76.4 | 25% | 0.253 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 111.9 | 176.2 | -178.1 | -176.9 | -59.3 | -76.9 | 2.3 | 109 | C242 G244 S246 G254 L293 | C242-R256 CarbonylContact O-C 3.4Å; C242-R256 WeakPolarHBondContact O-CA 3.29Å; G244-R256 WeakPolarHBondContact O-CG 3.37Å; G244-R256 PolarHBondContact O-NH1 2.83Å; S246-R256 PolarHBondContact O-NH1 2.89Å; G254-R256 PolarHBondContact O-N 2.63Å; R256-L293 WeakPolarHBondContact O-CD1 3.39Å |
| 257 | V | 89.3 | Confident | 78 | Confident | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 147.1 | 172 | -63.8 | 0 | 0 | 0 | 0 | 109.8 | F241 C242 V243 G244 I255 V260 Y291 Q292 | F241-V257 HydrophobicContact CE1-CG2 3.84Å; F241-V257 HydrophobicContact CE2-CB 4.49Å; F241-V257 HydrophobicContact CE2-CG1 3.7Å; F241-V257 HydrophobicContact CE2-CG2 3.9Å; F241-V257 HydrophobicContact CZ-CB 4.34Å; F241-V257 HydrophobicContact CZ-CG1 4.01Å; F241-V257 HydrophobicContact CZ-CG2 3.37Å; C242-V257 WeakPolarHBondContact O-CG2 3.41Å; C242-V257 PolarHBondContact O-N 2.8Å; V243-V257 CarbonylContact C-O 3.6Å; V243-V257 WeakPolarHBondContact CA-O 3.49Å; V243-V257 HydrophobicContact CB-CG2 4.4Å; V243-V257 HydrophobicContact CG1-CG2 4.49Å; V243-V257 HydrophobicContact CG2-CG2 3.97Å; G244-V257 PolarHBondContact N-O 2.84Å; I255-V257 HydrophobicContact CG2-CG1 4.2Å; V257-V260 HydrophobicContact CB-CG2 4.38Å; V257-V260 HydrophobicContact CG2-CG2 3.37Å; V257-Y291 HydrophobicContact CG1-CD2 3.85Å; V257-Y291 HydrophobicContact CG1-CG 4.39Å; V257-Q292 CarbonylContact C-O 3.57Å; V257-Q292 WeakPolarHBondContact CB-O 3.5Å |
| 258 | D | 89.8 | Confident | 79.7 | Confident | 70 Ų | 70 | 71.5 Ų | 71.5 | 37% | 0.374 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -77.5 | -46.2 | -179.8 | -62.9 | -54.1 | 0 | 0 | 0 | 111.2 | Q292 S294 | D258-Q292 PolarHBondContact N-O 3.42Å; D258-S294 WeakPolarHBondContact OD2-CB 3.39Å; D258-S294 PolarHBondContact OD2-N 2.87Å |
| 259 | E | 90.9 | Very high | 81.4 | Confident | 132 Ų | 132 | 74 Ų | 74 | 62% | 0.617 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 143.6 | -175.1 | -61.9 | -173 | -178.5 | 0 | 0 | 110.8 | Y291 Q292 | E259-Y291 CarbonylContact O-C 3.55Å; E259-Y291 VanDerWaalsContact O-CA 3.26Å; E259-Y291 WeakPolarHBondContact O-CA 3.17Å; E259-Q292 HydrophobicContact CB-CB 4.48Å; E259-Q292 PolarHBondContact N-O 3.13Å; E259-Q292 PolarHBondContact O-N 3.38Å |
| 260 | V | 93.7 | Very high | 83.2 | Confident | 33 Ų | 33 | 67.3 Ų | 67.3 | 20% | 0.2 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 135.7 | 173.2 | -176.7 | 0 | 0 | 0 | 0 | 109.1 | F241 V243 V257 F262 M289 R290 | F241-V260 HydrophobicContact CE1-CG2 4.11Å; F241-V260 HydrophobicContact CZ-CG2 3.85Å; V243-V260 HydrophobicContact CG1-CG2 4.09Å; V243-V260 HydrophobicContact CG2-CB 4.38Å; V243-V260 HydrophobicContact CG2-CG2 3.68Å; V257-V260 HydrophobicContact CB-CG2 4.38Å; V257-V260 HydrophobicContact CG2-CG2 3.37Å; V260-F262 HydrophobicContact CB-CE2 4.3Å; V260-F262 HydrophobicContact CB-CZ 4.32Å; V260-F262 HydrophobicContact CG1-CD1 4.29Å; V260-F262 HydrophobicContact CG1-CD2 4.18Å; V260-F262 HydrophobicContact CG1-CE1 3.7Å; V260-F262 HydrophobicContact CG1-CE2 3.59Å; V260-F262 HydrophobicContact CG1-CZ 3.33Å; V260-M289 HydrophobicContact CG1-CE 4.33Å; V260-M289 HydrophobicContact CG1-CG 3.69Å; V260-M289 HydrophobicContact CG1-SD 4.01Å; V260-R290 CarbonylContact C-O 3.57Å; V260-R290 VanDerWaalsContact CA-O 3.31Å; V260-R290 WeakPolarHBondContact CA-O 3.42Å; V260-R290 WeakPolarHBondContact CG1-O 3.34Å |
| 261 | S | 94.7 | Very high | 84.9 | Confident | 60 Ų | 60 | 65.4 Ų | 65.4 | 42% | 0.42 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 140.3 | 167.6 | 61.1 | 0 | 0 | 0 | 0 | 109.8 | M289 R290 | S261-M289 CarbonylContact O-C 3.56Å; S261-M289 WeakPolarHBondContact O-CA 3.46Å; S261-R290 PolarHBondContact N-O 3.43Å; S261-R290 PolarHBondContact O-N 3.49Å; S261-R290 WeakPolarHBondContact OG-CB 3.46Å |
| 262 | F | 95.2 | Very high | 86.5 | Confident | 59 Ų | 59 | 58.1 Ų | 58.1 | 26% | 0.259 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 148.8 | 178.7 | -59.9 | -79.4 | 0 | 0 | 0 | 109.9 | V260 V266 L268 F271 L277 M289 | V260-F262 HydrophobicContact CB-CE2 4.3Å; V260-F262 HydrophobicContact CB-CZ 4.32Å; V260-F262 HydrophobicContact CG1-CD1 4.29Å; V260-F262 HydrophobicContact CG1-CD2 4.18Å; V260-F262 HydrophobicContact CG1-CE1 3.7Å; V260-F262 HydrophobicContact CG1-CE2 3.59Å; V260-F262 HydrophobicContact CG1-CZ 3.33Å; F262-V266 HydrophobicContact CB-CB 4.34Å; F262-V266 HydrophobicContact CD1-CG1 4.46Å; F262-L268 HydrophobicContact CB-CD2 4.41Å; F262-L268 HydrophobicContact CD1-CD2 3.82Å; F262-L268 HydrophobicContact CD2-CD1 3.73Å; F262-L268 HydrophobicContact CD2-CD2 3.79Å; F262-L268 HydrophobicContact CD2-CG 4.41Å; F262-L268 HydrophobicContact CE1-CD2 3.93Å; F262-L268 HydrophobicContact CE2-CD1 4.06Å; F262-L268 HydrophobicContact CE2-CD2 3.89Å; F262-L268 HydrophobicContact CG-CD1 4.3Å; F262-L268 HydrophobicContact CG-CD2 3.73Å; F262-L268 HydrophobicContact CZ-CD2 3.95Å; F262-F271 HydrophobicContact CE1-CD2 4.5Å; F262-F271 HydrophobicContact CE1-CE2 4.18Å; F262-F271 HydrophobicContact CE1-CZ 4.33Å; F262-F271 HydrophobicContact CE2-CE1 4.47Å; F262-F271 HydrophobicContact CZ-CD1 4.23Å; F262-F271 HydrophobicContact CZ-CD2 4.36Å; F262-F271 AromaticContact CZ-CE1 3.82Å; F262-F271 HydrophobicContact CZ-CE1 3.82Å; F262-F271 AromaticContact CZ-CE2 3.95Å; F262-F271 HydrophobicContact CZ-CE2 3.95Å; F262-F271 HydrophobicContact CZ-CG 4.48Å; F262-F271 AromaticContact CZ-CZ 3.67Å; F262-F271 HydrophobicContact CZ-CZ 3.67Å; F262-L277 HydrophobicContact CD1-CD2 3.98Å; F262-L277 HydrophobicContact CE1-CD2 3.52Å; F262-L277 HydrophobicContact CZ-CD2 4.43Å; F262-M289 HydrophobicContact CD1-CB 4.12Å; F262-M289 HydrophobicContact CD1-CG 3.91Å; F262-M289 HydrophobicContact CD1-SD 4.26Å; F262-M289 HydrophobicContact CE1-CB 4.38Å; F262-M289 HydrophobicContact CE1-CG 3.78Å; F262-M289 HydrophobicContact CE1-SD 3.58Å; F262-M289 VanDerWaalsContact CE1-SD 3.58Å; F262-M289 HydrophobicContact CZ-SD 4.39Å |
| 263 | H | 93.1 | Very high | 88.1 | Confident | 54 Ų | 54 | 60.3 Ų | 60.3 | 25% | 0.25 | 34% | 0.337 | C | S | . | . | trans | -65.2 | 148.3 | 167.4 | -172 | -102 | 0 | 0 | 0 | 110.8 | S265 V266 L286 T287 V288 | H263-S265 WeakPolarHBondContact ND1-CB 3.42Å; H263-S265 PolarHBondContact ND1-N 3.45Å; H263-S265 VanDerWaalsContact ND1-N 3.14Å; H263-S265 PolarHBondContact ND1-OG 3.42Å; H263-S265 PolarHBondContact O-N 3.06Å; H263-S265 VanDerWaalsContact O-N 3.09Å; H263-V266 HydrophobicContact CB-CG2 4.17Å; H263-V266 WeakPolarHBondContact O-CB 3.28Å; H263-V266 WeakPolarHBondContact O-CG2 3.42Å; H263-V266 PolarHBondContact O-N 3.47Å; H263-L286 VanDerWaalsContact CE1-CD1 3.46Å; H263-L286 WeakPolarHBondContact CE1-CD1 3.29Å; H263-L286 WeakPolarHBondContact NE2-CD1 3.49Å; H263-T287 WeakPolarHBondContact CB-O 3.38Å; H263-V288 PolarHBondContact N-O 3.24Å | ||
| 264 | S | 89.3 | Confident | 89.6 | Confident | 114 Ų | 114 | 59.7 Ų | 59.7 | 80% | 0.797 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -22.2 | -178.3 | 55.8 | 0 | 0 | 0 | 0 | 114.2 | V266 | S264-V266 VanDerWaalsContact C-N 3.26Å; S264-V266 PolarHBondContact O-N 3.07Å |
| 265 | S | 88.9 | Confident | 90.8 | Very high | 39 Ų | 39 | 59.8 Ų | 59.8 | 27% | 0.273 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -2.8 | 176.5 | 72.9 | 0 | 0 | 0 | 0 | 114.2 | H263 L279 | H263-S265 WeakPolarHBondContact ND1-CB 3.42Å; H263-S265 PolarHBondContact ND1-N 3.45Å; H263-S265 VanDerWaalsContact ND1-N 3.14Å; H263-S265 PolarHBondContact ND1-OG 3.42Å; H263-S265 PolarHBondContact O-N 3.06Å; H263-S265 VanDerWaalsContact O-N 3.09Å; S265-L279 WeakPolarHBondContact O-CB 3.14Å |
| 266 | V | 93.9 | Very high | 91.4 | Very high | 15 Ų | 15 | 60.3 Ų | 60.3 | 9% | 0.091 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 120.3 | -178 | -175.5 | 0 | 0 | 0 | 0 | 109.6 | F262 H263 S264 L268 L277 R278 L279 V288 | F262-V266 HydrophobicContact CB-CB 4.34Å; F262-V266 HydrophobicContact CD1-CG1 4.46Å; H263-V266 HydrophobicContact CB-CG2 4.17Å; H263-V266 WeakPolarHBondContact O-CB 3.28Å; H263-V266 WeakPolarHBondContact O-CG2 3.42Å; H263-V266 PolarHBondContact O-N 3.47Å; S264-V266 VanDerWaalsContact C-N 3.26Å; S264-V266 PolarHBondContact O-N 3.07Å; V266-L268 HydrophobicContact CG1-CD2 3.81Å; V266-L277 HydrophobicContact CG1-CB 4.01Å; V266-L277 HydrophobicContact CG1-CD2 4.06Å; V266-R278 CarbonylContact C-O 3.57Å; V266-L279 HydrophobicContact CG2-CB 4.38Å; V266-L279 HydrophobicContact CG2-CD1 4.43Å; V266-V288 HydrophobicContact CG2-CG1 3.78Å |
| 267 | N | 93.8 | Very high | 91.9 | Very high | 54 Ų | 54 | 57.1 Ų | 57.1 | 29% | 0.289 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 128 | 167.4 | 176.4 | -47.3 | 0 | 0 | 0 | 109.1 | D269 R278 | N267-D269 PolarHBondContact ND2-OD2 2.87Å; N267-D269 WeakPolarHBondContact OD1-CB 3.3Å; N267-D269 PolarHBondContact OD1-N 3.25Å; N267-D269 PolarHBondContact OD1-OD2 2.8Å; N267-D269 VanDerWaalsContact OD1-OD2 3.07Å; N267-R278 HydrophobicContact CB-CB 4.32Å; N267-R278 PolarHBondContact N-O 2.87Å; N267-R278 PolarHBondContact O-N 3.37Å |
| 268 | L | 93.9 | Very high | 92.2 | Very high | 71 Ų | 71 | 61 Ų | 61 | 37% | 0.372 | 33% | 0.326 | S | S | . | . | trans | -102.4 | 6 | -173.9 | -58.9 | 175.7 | 0 | 0 | 0 | 113.8 | F262 V266 E270 F271 L277 | F262-L268 HydrophobicContact CB-CD2 4.41Å; F262-L268 HydrophobicContact CD1-CD2 3.82Å; F262-L268 HydrophobicContact CD2-CD1 3.73Å; F262-L268 HydrophobicContact CD2-CD2 3.79Å; F262-L268 HydrophobicContact CD2-CG 4.41Å; F262-L268 HydrophobicContact CE1-CD2 3.93Å; F262-L268 HydrophobicContact CE2-CD1 4.06Å; F262-L268 HydrophobicContact CE2-CD2 3.89Å; F262-L268 HydrophobicContact CG-CD1 4.3Å; F262-L268 HydrophobicContact CG-CD2 3.73Å; F262-L268 HydrophobicContact CZ-CD2 3.95Å; V266-L268 HydrophobicContact CG1-CD2 3.81Å; L268-E270 VanDerWaalsContact C-N 3.25Å; L268-E270 PolarHBondContact O-N 2.92Å; L268-F271 HydrophobicContact CB-CB 4.18Å; L268-F271 HydrophobicContact CD2-CB 4.15Å; L268-F271 HydrophobicContact CD2-CG 4.32Å; L268-F271 VanDerWaalsContact O-CB 3.29Å; L268-F271 WeakPolarHBondContact O-CB 3.28Å; L268-F271 PolarHBondContact O-N 3.17Å; L268-L277 HydrophobicContact CD2-CD2 4.21Å | ||
| 269 | D | 93.9 | Very high | 92.3 | Very high | 128 Ų | 128 | 58 Ų | 58 | 68% | 0.684 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -37.3 | -176.2 | -61.4 | -23.6 | 0 | 0 | 0 | 112 | N267 | N267-D269 PolarHBondContact ND2-OD2 2.87Å; N267-D269 WeakPolarHBondContact OD1-CB 3.3Å; N267-D269 PolarHBondContact OD1-N 3.25Å; N267-D269 PolarHBondContact OD1-OD2 2.8Å; N267-D269 VanDerWaalsContact OD1-OD2 3.07Å |
| 270 | E | 92.8 | Very high | 92.3 | Very high | 37 Ų | 37 | 57.1 Ų | 57.1 | 17% | 0.173 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -7 | 177.5 | -62.6 | -179.2 | -143 | 0 | 0 | 113 | R234 L268 H274 R275 I276 | R234-E270 IonicContact CZ-OE1 3.42Å; R234-E270 IonicContact NE-OE1 2.7Å; R234-E270 IonicContact NH1-OE1 3.27Å; R234-E270 PolarHBondContact NH1-OE1 3.15Å; R234-E270 IonicContact NH1-OE2 3.76Å; R234-E270 PolarHBondContact NH1-OE2 2.83Å; L268-E270 VanDerWaalsContact C-N 3.25Å; L268-E270 PolarHBondContact O-N 2.92Å; E270-H274 WeakPolarHBondContact O-CB 3.43Å; E270-H274 PolarHBondContact O-N 2.83Å; E270-R275 PolarHBondContact O-N 3.35Å; E270-I276 CarbonylContact C-O 3.53Å; E270-I276 HydrophobicContact CB-CB 3.9Å; E270-I276 HydrophobicContact CB-CG2 4.29Å; E270-I276 PolarHBondContact O-N 3Å |
| 271 | F | 91.4 | Very high | 91.9 | Very high | 13 Ų | 13 | 55.9 Ų | 55.9 | 6% | 0.057 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -70.7 | -42.2 | -174.4 | -179.6 | -103.7 | 0 | 0 | 0 | 111.7 | L237 F241 V243 F262 L268 S273 R275 I276 L277 | L237-F271 HydrophobicContact CD1-CE2 4.29Å; F241-F271 HydrophobicContact CD1-CE2 4.32Å; F241-F271 AromaticContact CD1-CZ 3.86Å; F241-F271 HydrophobicContact CD1-CZ 3.86Å; F241-F271 HydrophobicContact CE1-CE2 4.34Å; F241-F271 AromaticContact CE1-CZ 3.72Å; F241-F271 HydrophobicContact CE1-CZ 3.72Å; V243-F271 HydrophobicContact CG2-CE1 4.45Å; V243-F271 HydrophobicContact CG2-CZ 4.48Å; F262-F271 HydrophobicContact CE1-CD2 4.5Å; F262-F271 HydrophobicContact CE1-CE2 4.18Å; F262-F271 HydrophobicContact CE1-CZ 4.33Å; F262-F271 HydrophobicContact CE2-CE1 4.47Å; F262-F271 HydrophobicContact CZ-CD1 4.23Å; F262-F271 HydrophobicContact CZ-CD2 4.36Å; F262-F271 AromaticContact CZ-CE1 3.82Å; F262-F271 HydrophobicContact CZ-CE1 3.82Å; F262-F271 AromaticContact CZ-CE2 3.95Å; F262-F271 HydrophobicContact CZ-CE2 3.95Å; F262-F271 HydrophobicContact CZ-CG 4.48Å; F262-F271 AromaticContact CZ-CZ 3.67Å; F262-F271 HydrophobicContact CZ-CZ 3.67Å; L268-F271 HydrophobicContact CB-CB 4.18Å; L268-F271 HydrophobicContact CD2-CB 4.15Å; L268-F271 HydrophobicContact CD2-CG 4.32Å; L268-F271 VanDerWaalsContact O-CB 3.29Å; L268-F271 WeakPolarHBondContact O-CB 3.28Å; L268-F271 PolarHBondContact O-N 3.17Å; F271-S273 PolarHBondContact O-N 3.2Å; F271-R275 VanDerWaalsContact O-CA 3.26Å; F271-R275 WeakPolarHBondContact O-CA 3.33Å; F271-R275 WeakPolarHBondContact O-CD 3.47Å; F271-R275 PolarHBondContact O-N 3.04Å; F271-R275 PolarHBondContact O-NH1 3.24Å; F271-I276 WeakPolarHBondContact CA-O 3.42Å; F271-I276 PolarHBondContact N-O 3.39Å; F271-L277 HydrophobicContact CD2-CD2 3.4Å; F271-L277 VanDerWaalsContact CD2-CD2 3.4Å; F271-L277 HydrophobicContact CD2-CG 4.46Å; F271-L277 HydrophobicContact CE2-CD2 3.87Å; F271-L277 HydrophobicContact CG-CD2 4.23Å |
| 272 | E | 86 | Confident | 91.4 | Very high | 102 Ų | 102 | 54.8 Ų | 54.8 | 48% | 0.477 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -68.8 | -35.6 | -175.1 | -165.4 | 51.7 | -118.3 | 0 | 0 | 112.9 | R275 | E272-R275 VanDerWaalsContact C-NH1 3.32Å; E272-R275 VanDerWaalsContact CA-NH1 3.28Å; E272-R275 PolarHBondContact O-NH1 3.33Å; E272-R275 IonicContact OE1-CZ 3.99Å; E272-R275 IonicContact OE1-NH1 3.9Å; E272-R275 PolarHBondContact OE1-NH1 3.29Å; E272-R275 VanDerWaalsContact OE1-NH1 3.12Å; E272-R275 IonicContact OE1-NH2 3.21Å; E272-R275 IonicContact OE2-NH1 3.63Å |
| 273 | S | 87.4 | Confident | 90.9 | Very high | 78 Ų | 78 | 52.4 Ų | 52.4 | 55% | 0.545 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -91.6 | -35 | -176.7 | -63.3 | 0 | 0 | 0 | 0 | 113.6 | F271 | F271-S273 PolarHBondContact O-N 3.2Å |
| 274 | H | 89.1 | Confident | 90.7 | Very high | 106 Ų | 106 | 49.9 Ų | 49.9 | 49% | 0.491 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -126.8 | -3 | -168.4 | -57.9 | -58.9 | 0 | 0 | 0 | 114.2 | E270 I276 | E270-H274 WeakPolarHBondContact O-CB 3.43Å; E270-H274 PolarHBondContact O-N 2.83Å; H274-I276 HydrophobicContact CB-CB 4.39Å; H274-I276 HydrophobicContact CB-CD1 3.53Å; H274-I276 HydrophobicContact CB-CG1 3.69Å; H274-I276 PolarHBondContact O-N 3.11Å |
| 275 | R | 92.5 | Very high | 90.7 | Very high | 15 Ų | 15 | 47.3 Ų | 47.3 | 6% | 0.057 | 24% | 0.243 | C | C | . | . | trans | 53.6 | 39.9 | -172.2 | -55.4 | -61.9 | 179.6 | -122.2 | 5.4 | 112.1 | L237 F241 E270 F271 E272 | L237-R275 HydrophobicContact CB-CB 4.29Å; L237-R275 PolarHBondContact N-O 3.29Å; F241-R275 HydrophobicContact CB-CG 4.34Å; F241-R275 VanDerWaalsContact O-CZ 3.3Å; F241-R275 PolarHBondContact O-NE 2.78Å; F241-R275 PolarHBondContact O-NH2 2.88Å; F241-R275 VanDerWaalsContact O-NH2 3.15Å; E270-R275 PolarHBondContact O-N 3.35Å; F271-R275 VanDerWaalsContact O-CA 3.26Å; F271-R275 WeakPolarHBondContact O-CA 3.33Å; F271-R275 WeakPolarHBondContact O-CD 3.47Å; F271-R275 PolarHBondContact O-N 3.04Å; F271-R275 PolarHBondContact O-NH1 3.24Å; E272-R275 VanDerWaalsContact C-NH1 3.32Å; E272-R275 VanDerWaalsContact CA-NH1 3.28Å; E272-R275 PolarHBondContact O-NH1 3.33Å; E272-R275 IonicContact OE1-CZ 3.99Å; E272-R275 IonicContact OE1-NH1 3.9Å; E272-R275 PolarHBondContact OE1-NH1 3.29Å; E272-R275 VanDerWaalsContact OE1-NH1 3.12Å; E272-R275 IonicContact OE1-NH2 3.21Å; E272-R275 IonicContact OE2-NH1 3.63Å | ||
| 276 | I | 94.9 | Very high | 90.8 | Very high | 20 Ų | 20 | 45.6 Ų | 45.6 | 10% | 0.103 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 124.6 | 177.7 | -62.5 | 172.9 | 0 | 0 | 0 | 109 | R234 I235 E270 F271 H274 F430 | R234-I276 HydrophobicContact CB-CG2 3.95Å; R234-I276 HydrophobicContact CG-CG2 4.37Å; I235-I276 CarbonylContact O-C 3.54Å; I235-I276 WeakPolarHBondContact O-CA 3.16Å; E270-I276 CarbonylContact C-O 3.53Å; E270-I276 HydrophobicContact CB-CB 3.9Å; E270-I276 HydrophobicContact CB-CG2 4.29Å; E270-I276 PolarHBondContact O-N 3Å; F271-I276 WeakPolarHBondContact CA-O 3.42Å; F271-I276 PolarHBondContact N-O 3.39Å; H274-I276 HydrophobicContact CB-CB 4.39Å; H274-I276 HydrophobicContact CB-CD1 3.53Å; H274-I276 HydrophobicContact CB-CG1 3.69Å; H274-I276 PolarHBondContact O-N 3.11Å; I276-F430 HydrophobicContact CD1-CZ 3.89Å; I276-F430 HydrophobicContact CG1-CZ 3.97Å |
| 277 | L | 95.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 118.2 | 168.7 | -52.7 | 179 | 0 | 0 | 0 | 108.7 | R234 I235 L237 F262 V266 L268 F271 V288 M289 | R234-L277 WeakPolarHBondContact CA-O 3.27Å; I235-L277 HydrophobicContact CB-CB 4.27Å; I235-L277 PolarHBondContact N-O 3.24Å; I235-L277 PolarHBondContact O-N 3.39Å; L237-L277 HydrophobicContact CD1-CD1 4.08Å; L237-L277 HydrophobicContact CD1-CG 4.23Å; F262-L277 HydrophobicContact CD1-CD2 3.98Å; F262-L277 HydrophobicContact CE1-CD2 3.52Å; F262-L277 HydrophobicContact CZ-CD2 4.43Å; V266-L277 HydrophobicContact CG1-CB 4.01Å; V266-L277 HydrophobicContact CG1-CD2 4.06Å; L268-L277 HydrophobicContact CD2-CD2 4.21Å; F271-L277 HydrophobicContact CD2-CD2 3.4Å; F271-L277 VanDerWaalsContact CD2-CD2 3.4Å; F271-L277 HydrophobicContact CD2-CG 4.46Å; F271-L277 HydrophobicContact CE2-CD2 3.87Å; F271-L277 HydrophobicContact CG-CD2 4.23Å; L277-V288 HydrophobicContact CD1-CG1 3.94Å; L277-M289 HydrophobicContact CD1-CB 4.28Å; L277-M289 HydrophobicContact CD1-SD 4.03Å |
| 278 | R | 94.9 | Very high | 91 | Very high | 82 Ų | 82 | 43.8 Ų | 43.8 | 31% | 0.309 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 128.8 | 175.9 | -178.6 | 179.3 | 173.9 | -171.4 | -2.8 | 108.9 | E232 M233 R234 V266 N267 | E232-R278 HydrophobicContact CG-CG 4.33Å; E232-R278 IonicContact OE1-CZ 3.73Å; E232-R278 IonicContact OE1-NE 3.42Å; E232-R278 PolarHBondContact OE1-NE 3.32Å; E232-R278 IonicContact OE1-NH2 3.93Å; E232-R278 PolarHBondContact OE1-NH2 2.89Å; E232-R278 IonicContact OE2-CZ 2.96Å; E232-R278 IonicContact OE2-NE 2.66Å; E232-R278 PolarHBondContact OE2-NE 3.25Å; E232-R278 IonicContact OE2-NH2 3.07Å; M233-R278 WeakPolarHBondContact O-CA 3.49Å; R234-R278 HydrophobicContact CG-CG 4.44Å; V266-R278 CarbonylContact C-O 3.57Å; N267-R278 HydrophobicContact CB-CB 4.32Å; N267-R278 PolarHBondContact N-O 2.87Å; N267-R278 PolarHBondContact O-N 3.37Å |
| 279 | L | 93.8 | Very high | 91.1 | Very high | 5 Ų | 5 | 40.4 Ų | 40.4 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 156.3 | 179.7 | 63 | 164.7 | 0 | 0 | 0 | 111.7 | L223 M233 I235 S265 V266 P281 L286 V288 | L223-L279 HydrophobicContact CD2-CD1 4.26Å; M233-L279 HydrophobicContact CB-CD2 4.46Å; M233-L279 HydrophobicContact CE-CD1 3.93Å; M233-L279 HydrophobicContact CE-CD2 3.64Å; M233-L279 HydrophobicContact CE-CG 3.84Å; M233-L279 PolarHBondContact N-O 3.07Å; M233-L279 PolarHBondContact O-N 2.95Å; I235-L279 HydrophobicContact CD1-CD2 3.94Å; I235-L279 HydrophobicContact CG1-CD2 4.19Å; S265-L279 WeakPolarHBondContact O-CB 3.14Å; V266-L279 HydrophobicContact CG2-CB 4.38Å; V266-L279 HydrophobicContact CG2-CD1 4.43Å; L279-P281 HydrophobicContact CD1-CB 4.3Å; L279-L286 HydrophobicContact CD1-CD2 4.04Å; L279-V288 HydrophobicContact CD1-CG1 4.07Å; L279-V288 HydrophobicContact CD1-CG2 3.9Å |
| 280 | Q | 90.2 | Very high | 91.2 | Very high | 115 Ų | 115 | 40 Ų | 40 | 54% | 0.537 | 19% | 0.193 | S | C | . | . | trans | -104.9 | 98.7 | 162.6 | -70.9 | 176.1 | -13.1 | 0 | 0 | 106.5 | E232 | E232-Q280 HydrophobicContact CB-CG 4.29Š| ||
| 281 | P | 84.9 | Confident | 91.3 | Very high | 6 Ų | 6 | 38.6 Ų | 38.6 | 4% | 0.039 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -73.4 | 139.6 | -175.4 | 31.4 | -33.2 | 0 | 0 | 0 | 110.3 | L223 S231 M233 L279 | L223-P281 HydrophobicContact CD2-CB 3.26Å; L223-P281 HydrophobicContact CD2-CG 3.93Å; S231-P281 VanDerWaalsContact O-CD 3.28Å; S231-P281 WeakPolarHBondContact O-CD 3.45Å; M233-P281 HydrophobicContact CB-CG 4.45Å; M233-P281 HydrophobicContact CE-CG 4.2Å; M233-P281 HydrophobicContact SD-CG 4.46Å; L279-P281 HydrophobicContact CD1-CB 4.3Å |
| 282 | P | 84.4 | Confident | 91.4 | Very high | 37 Ų | 37 | 40.9 Ų | 40.9 | 24% | 0.24 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -66.6 | 161.8 | 167.3 | 31.6 | -33 | 0 | 0 | 0 | 110 | E135 G284 L286 | E135-P282 WeakPolarHBondContact OE1-CA 3.33Å; P282-G284 PolarHBondContact O-N 2.8Å; P282-L286 HydrophobicContact CG-CD1 4.34Å |
| 283 | Q | 85.3 | Confident | 91.7 | Very high | 9 Ų | 9 | 36.3 Ų | 36.3 | 4% | 0.042 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -63.4 | 130.9 | 168.1 | -140.9 | -169.9 | -14.3 | 0 | 0 | 110.2 | E135 R138 V181 | E135-Q283 HydrophobicContact CG-CB 4.08Å; E135-Q283 PolarHBondContact OE1-N 3.22Å; R138-Q283 VanDerWaalsContact NH1-OE1 3.1Å; V181-Q283 HydrophobicContact CG1-CB 3.97Å; V181-Q283 VanDerWaalsContact CG1-CD 3.41Å; V181-Q283 HydrophobicContact CG1-CG 3.33Å; V181-Q283 PolarHBondContact O-NE2 3.44Å |
| 284 | G | 87.7 | Confident | 91.8 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 104.6 | -160.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | D99 V181 K224 S225 P282 | D99-G284 WeakPolarHBondContact OD1-CA 3.37Å; V181-G284 VanDerWaalsContact CG2-CA 3.44Å; K224-G284 WeakPolarHBondContact CA-O 3.04Å; S225-G284 PolarHBondContact N-O 2.85Å; S225-G284 PolarHBondContact O-N 2.89Å; P282-G284 PolarHBondContact O-N 2.8Å |
| 285 | E | 90.1 | Very high | 91.3 | Very high | 60 Ų | 60 | 35 Ų | 35 | 28% | 0.28 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 131.6 | -175 | -173.2 | 171.6 | 171.1 | 0 | 0 | 112.2 | T95 D99 R222 L223 | T95-E285 HydrophobicContact CG2-CB 3.92Å; T95-E285 HydrophobicContact CG2-CG 4.43Å; D99-E285 PolarHBondContact OD1-N 2.82Å; D99-E285 PolarHBondContact OD2-N 2.82Å; R222-E285 IonicContact NH1-OE1 2.79Å; L223-E285 CarbonylContact O-C 3.59Å; L223-E285 WeakPolarHBondContact O-CA 3.41Å |
| 286 | L | 91.9 | Very high | 90.4 | Very high | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 124.7 | 179.5 | -177.1 | 74.4 | 0 | 0 | 0 | 110.1 | L223 H263 L279 P282 V288 | L223-L286 PolarHBondContact N-O 2.88Å; L223-L286 PolarHBondContact O-N 2.75Å; H263-L286 VanDerWaalsContact CE1-CD1 3.46Å; H263-L286 WeakPolarHBondContact CE1-CD1 3.29Å; H263-L286 WeakPolarHBondContact NE2-CD1 3.49Å; L279-L286 HydrophobicContact CD1-CD2 4.04Å; P282-L286 HydrophobicContact CG-CD1 4.34Å; L286-V288 HydrophobicContact CD2-CG2 4.2Å; L286-V288 PolarHBondContact O-N 3.43Å |
| 287 | T | 94.8 | Very high | 89.6 | Confident | 31 Ų | 31 | 40 Ų | 40 | 19% | 0.19 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 106.7 | 165.3 | -57.3 | 0 | 0 | 0 | 0 | 108.5 | E220 H263 R290 | E220-T287 HydrophobicContact CB-CG2 4.38Å; H263-T287 WeakPolarHBondContact CB-O 3.38Å; T287-R290 HydrophobicContact CG2-CG 3.75Å |
| 288 | V | 96.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | -43.1 | -174.4 | 177.4 | 0 | 0 | 0 | 0 | 111.4 | I221 L223 I235 H263 V266 L277 L279 L286 | I221-V288 HydrophobicContact CG2-CB 4.38Å; I221-V288 PolarHBondContact O-N 2.88Å; L223-V288 HydrophobicContact CB-CG2 3.62Å; L223-V288 HydrophobicContact CD2-CG2 4.21Å; I235-V288 HydrophobicContact CD1-CG1 4.14Å; I235-V288 HydrophobicContact CD1-CG2 4.43Å; H263-V288 PolarHBondContact N-O 3.24Å; V266-V288 HydrophobicContact CG2-CG1 3.78Å; L277-V288 HydrophobicContact CD1-CG1 3.94Å; L279-V288 HydrophobicContact CD1-CG1 4.07Å; L279-V288 HydrophobicContact CD1-CG2 3.9Å; L286-V288 HydrophobicContact CD2-CG2 4.2Å; L286-V288 PolarHBondContact O-N 3.43Å |
| 289 | M | 95.6 | Very high | 87.9 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 141.5 | -173.8 | 178.1 | -179.9 | 123 | 0 | 0 | 109.1 | E220 I221 L237 F241 V260 S261 F262 L277 Y291 L426 | E220-M289 WeakPolarHBondContact CA-O 3.2Å; I221-M289 HydrophobicContact CB-CB 4.32Å; I221-M289 HydrophobicContact CD1-CB 4.3Å; I221-M289 HydrophobicContact CD1-CE 4.14Å; I221-M289 HydrophobicContact CD1-SD 4.11Å; I221-M289 HydrophobicContact CG1-CB 4.4Å; I221-M289 PolarHBondContact N-O 3.18Å; L237-M289 HydrophobicContact CD1-CE 4.21Å; L237-M289 HydrophobicContact CD1-SD 3.93Å; F241-M289 HydrophobicContact CE1-CE 4.41Å; F241-M289 HydrophobicContact CE2-CE 3.94Å; F241-M289 HydrophobicContact CZ-CE 3.57Å; V260-M289 HydrophobicContact CG1-CE 4.33Å; V260-M289 HydrophobicContact CG1-CG 3.69Å; V260-M289 HydrophobicContact CG1-SD 4.01Å; S261-M289 CarbonylContact O-C 3.56Å; S261-M289 WeakPolarHBondContact O-CA 3.46Å; F262-M289 HydrophobicContact CD1-CB 4.12Å; F262-M289 HydrophobicContact CD1-CG 3.91Å; F262-M289 HydrophobicContact CD1-SD 4.26Å; F262-M289 HydrophobicContact CE1-CB 4.38Å; F262-M289 HydrophobicContact CE1-CG 3.78Å; F262-M289 HydrophobicContact CE1-SD 3.58Å; F262-M289 VanDerWaalsContact CE1-SD 3.58Å; F262-M289 HydrophobicContact CZ-SD 4.39Å; L277-M289 HydrophobicContact CD1-CB 4.28Å; L277-M289 HydrophobicContact CD1-SD 4.03Å; M289-Y291 HydrophobicContact CE-CD1 3.41Å; M289-Y291 VanDerWaalsContact CE-CD1 3.41Å; M289-Y291 HydrophobicContact CE-CE1 4.13Å; M289-Y291 HydrophobicContact CE-CG 3.94Å; M289-L426 HydrophobicContact CE-CD2 4.31Å |
| 290 | R | 96.9 | Very high | 87.5 | Confident | 120 Ų | 120 | 46.3 Ų | 46.3 | 45% | 0.453 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 143.5 | 164.2 | -50.3 | -173.9 | 165.9 | 103.4 | 0.3 | 109 | G219 E220 V260 S261 T287 | G219-R290 CarbonylContact O-C 3.56Å; G219-R290 VanDerWaalsContact O-CA 3.3Å; G219-R290 WeakPolarHBondContact O-CA 3.44Å; E220-R290 HydrophobicContact CG-CB 4.44Å; E220-R290 HydrophobicContact CG-CG 3.99Å; E220-R290 WeakPolarHBondContact OE1-CD 3.47Å; E220-R290 IonicContact OE1-CZ 2.69Å; E220-R290 IonicContact OE1-NE 3.52Å; E220-R290 PolarHBondContact OE1-NE 3.07Å; E220-R290 IonicContact OE1-NH2 3.86Å; V260-R290 CarbonylContact C-O 3.57Å; V260-R290 VanDerWaalsContact CA-O 3.31Å; V260-R290 WeakPolarHBondContact CA-O 3.42Å; V260-R290 WeakPolarHBondContact CG1-O 3.34Å; S261-R290 PolarHBondContact N-O 3.43Å; S261-R290 PolarHBondContact O-N 3.49Å; S261-R290 WeakPolarHBondContact OG-CB 3.46Å; T287-R290 HydrophobicContact CG2-CG 3.75Å |
| 291 | Y | 94.8 | Very high | 87.5 | Confident | 7 Ų | 7 | 42 Ų | 42 | 3% | 0.027 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 152 | 178.6 | 59.5 | -84 | 0 | 0 | 0 | 110.7 | E200 G219 I221 V257 E259 M289 L426 | E200-Y291 VanDerWaalsContact CG-OH 3.3Å; E200-Y291 WeakPolarHBondContact CG-OH 3.39Å; E200-Y291 PolarHBondContact OE1-OH 3.19Å; G219-Y291 VanDerWaalsContact CA-CZ 3.49Å; G219-Y291 PolarHBondContact N-O 3Å; G219-Y291 WeakPolarHBondContact O-CD1 3.33Å; G219-Y291 PolarHBondContact O-N 3.36Å; I221-Y291 HydrophobicContact CG1-CE1 4.42Å; V257-Y291 HydrophobicContact CG1-CD2 3.85Å; V257-Y291 HydrophobicContact CG1-CG 4.39Å; E259-Y291 CarbonylContact O-C 3.55Å; E259-Y291 VanDerWaalsContact O-CA 3.26Å; E259-Y291 WeakPolarHBondContact O-CA 3.17Å; M289-Y291 HydrophobicContact CE-CD1 3.41Å; M289-Y291 VanDerWaalsContact CE-CD1 3.41Å; M289-Y291 HydrophobicContact CE-CE1 4.13Å; M289-Y291 HydrophobicContact CE-CG 3.94Å; Y291-L426 HydrophobicContact CD1-CD2 4.18Å; Y291-L426 HydrophobicContact CE1-CD2 3.38Å; Y291-L426 HydrophobicContact CE2-CD2 4.28Å; Y291-L426 VanDerWaalsContact CZ-CD2 3.43Å; Y291-L426 WeakPolarHBondContact OH-CD2 3.39Å |
| 292 | Q | 93.8 | Very high | 87.9 | Confident | 61 Ų | 61 | 41.8 Ų | 41.8 | 29% | 0.285 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 141.1 | 177.6 | -171.6 | 172.5 | -8.6 | 0 | 0 | 110.5 | D216 V217 Q218 V257 D258 E259 | D216-Q292 VanDerWaalsContact OD1-CG 3.31Å; D216-Q292 WeakPolarHBondContact OD1-CG 3.47Å; D216-Q292 PolarHBondContact OD1-NE2 2.65Å; D216-Q292 PolarHBondContact OD2-NE2 2.94Å; V217-Q292 WeakPolarHBondContact O-CA 3.48Å; Q218-Q292 HydrophobicContact CG-CG 4.4Å; V257-Q292 CarbonylContact C-O 3.57Å; V257-Q292 WeakPolarHBondContact CB-O 3.5Å; D258-Q292 PolarHBondContact N-O 3.42Å; E259-Q292 HydrophobicContact CB-CB 4.48Å; E259-Q292 PolarHBondContact N-O 3.13Å; E259-Q292 PolarHBondContact O-N 3.38Å |
| 293 | L | 91.4 | Very high | 88.4 | Confident | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 122.1 | 177.1 | 170.4 | 82.6 | 0 | 0 | 0 | 108.4 | D216 V217 R256 D296 L297 | D216-L293 CarbonylContact C-O 3.47Å; D216-L293 WeakPolarHBondContact CA-O 3.4Å; V217-L293 HydrophobicContact CB-CB 4.24Å; V217-L293 HydrophobicContact CB-CD2 4.37Å; V217-L293 HydrophobicContact CG2-CD2 4.43Å; V217-L293 PolarHBondContact N-O 3.17Å; V217-L293 PolarHBondContact O-N 2.83Å; R256-L293 WeakPolarHBondContact O-CD1 3.39Å; L293-D296 WeakPolarHBondContact CD1-O 3.4Å; L293-L297 HydrophobicContact CD2-CD2 3.53Å; L293-L297 HydrophobicContact CD2-CG 4.28Å |
| 294 | S | 89.5 | Confident | 88.8 | Confident | 38 Ų | 38 | 44.3 Ų | 44.3 | 27% | 0.266 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 144 | 175 | -72 | 0 | 0 | 0 | 0 | 111.1 | V215 D216 D258 D296 | V215-S294 WeakPolarHBondContact O-CA 3.39Å; D216-S294 PolarHBondContact OD1-OG 2.99Å; D216-S294 VanDerWaalsContact OD1-OG 3.07Å; D258-S294 WeakPolarHBondContact OD2-CB 3.39Å; D258-S294 PolarHBondContact OD2-N 2.87Å; S294-D296 PolarHBondContact O-N 2.88Å |
| 295 | D | 77.9 | Confident | 89.2 | Confident | 118 Ų | 118 | 45 Ų | 45 | 63% | 0.631 | 23% | 0.23 | S | C | * | . | S | Bend | trans | 63.6 | -39.2 | 170.9 | -60.3 | -34 | 0 | 0 | 0 | 118.2 | V215 | V215-D295 PolarHBondContact O-N 3.22Š|
| 296 | D | 74.6 | Confident | 89.4 | Confident | 113 Ų | 113 | 46.9 Ų | 46.9 | 60% | 0.604 | 24% | 0.237 | S | C | * | . | trans | -105.9 | 76.2 | -173.6 | -165.1 | 18.5 | 0 | 0 | 0 | 112.6 | L293 S294 | L293-D296 WeakPolarHBondContact CD1-O 3.4Å; S294-D296 PolarHBondContact O-N 2.88Å | ||
| 297 | L | 78.1 | Confident | 89.5 | Confident | 29 Ų | 29 | 48.8 Ų | 48.8 | 15% | 0.152 | 25% | 0.249 | C | C | . | . | trans | -73.6 | 126.9 | 174.6 | -87.7 | 177.5 | 0 | 0 | 0 | 111.6 | L202 V215 V217 L293 S299 L301 C423 | L202-L297 HydrophobicContact CD1-CD1 4.48Å; V215-L297 HydrophobicContact CB-CD1 4.33Å; V215-L297 HydrophobicContact CG1-CD1 4.34Å; V215-L297 HydrophobicContact CG1-CG 4.24Å; V215-L297 HydrophobicContact CG2-CD1 3.33Å; V215-L297 HydrophobicContact CG2-CG 3.79Å; V217-L297 HydrophobicContact CG2-CD2 3.78Å; L293-L297 HydrophobicContact CD2-CD2 3.53Å; L293-L297 HydrophobicContact CD2-CG 4.28Å; L297-S299 WeakPolarHBondContact CB-O 3.34Å; L297-S299 PolarHBondContact O-N 2.87Å; L297-L301 HydrophobicContact CD1-CD2 3.5Å; L297-L301 HydrophobicContact CD1-CG 4.37Å; L297-C423 HydrophobicContact CD2-CB 4.28Å | ||
| 298 | P | 75.6 | Confident | 89.4 | Confident | 61 Ų | 61 | 49.9 Ų | 49.9 | 40% | 0.396 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -71 | -14.7 | 174.4 | 27.9 | -32.4 | 0 | 0 | 0 | 112.7 | S424 | P298-S424 WeakPolarHBondContact CG-O 3.19Š|
| 299 | S | 78.5 | Confident | 89.1 | Confident | 38 Ų | 38 | 51.9 Ų | 51.9 | 27% | 0.266 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -120.7 | 153.6 | -179.2 | 72 | 0 | 0 | 0 | 0 | 112.4 | L297 C423 | L297-S299 WeakPolarHBondContact CB-O 3.34Å; L297-S299 PolarHBondContact O-N 2.87Å; S299-C423 PolarHBondContact OG-O 2.62Å |
| 300 | L | 84.6 | Confident | 88.8 | Confident | 119 Ų | 119 | 57.2 Ų | 57.2 | 62% | 0.623 | 30% | 0.295 | S | S | * | . | trans | -63.8 | 145.8 | 173.3 | -66.5 | 173.9 | 0 | 0 | 0 | 110.4 | ||||
| 301 | L | 91.3 | Very high | 88.2 | Confident | 24 Ų | 24 | 54.9 Ų | 54.9 | 13% | 0.126 | 29% | 0.287 | C | S | . | . | trans | -56.9 | 142.9 | 172.5 | -69 | 174.6 | 0 | 0 | 0 | 111.2 | L202 V204 I206 L212 V215 L297 F303 | L202-L301 HydrophobicContact CD2-CD2 4.34Å; V204-L301 HydrophobicContact CG1-CD1 3.94Å; V204-L301 HydrophobicContact CG1-CD2 4.35Å; V204-L301 HydrophobicContact CG2-CD2 3.63Å; I206-L301 HydrophobicContact CD1-CD1 4.11Å; I206-L301 HydrophobicContact CG1-CD1 4.46Å; L212-L301 HydrophobicContact CD1-CD1 3.73Å; L212-L301 HydrophobicContact CD2-CD1 4.28Å; V215-L301 HydrophobicContact CG2-CD2 4.24Å; L297-L301 HydrophobicContact CD1-CD2 3.5Å; L297-L301 HydrophobicContact CD1-CG 4.37Å; L301-F303 PolarHBondContact O-N 3.12Å | ||
| 302 | P | 93 | Very high | 87.7 | Confident | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.013 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -65 | -27 | -171.9 | 24.7 | -35 | 0 | 0 | 0 | 113.3 | L202 C326 D327 L328 F416 L418 Y456 | L202-P302 HydrophobicContact CD2-CG 4Å; P302-C326 CarbonylContact O-C 3.54Å; P302-C326 WeakPolarHBondContact O-CA 3.47Å; P302-D327 PolarHBondContact O-N 2.75Å; P302-L328 HydrophobicContact CB-CD2 3.89Å; P302-L328 HydrophobicContact CB-CG 4.18Å; P302-F416 HydrophobicContact CG-CE1 4.44Å; P302-F416 HydrophobicContact CG-CE2 3.97Å; P302-F416 HydrophobicContact CG-CZ 3.63Å; P302-L418 HydrophobicContact CB-CD1 3.76Å; P302-L418 HydrophobicContact CG-CD1 4.08Å; P302-Y456 HydrophobicContact CG-CE2 4.34Å |
| 303 | F | 95.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 151.5 | -176.2 | -67.2 | -74.1 | 0 | 0 | 0 | 112.6 | L301 L324 R325 C326 A334 V337 V375 L414 F416 L418 Y456 | L301-F303 PolarHBondContact O-N 3.12Å; F303-L324 HydrophobicContact CB-CD1 4.1Å; F303-L324 HydrophobicContact CD1-CD1 4.09Å; F303-L324 HydrophobicContact CD1-CD2 3.95Å; F303-L324 HydrophobicContact CD1-CG 3.94Å; F303-L324 HydrophobicContact CE1-CD2 4.12Å; F303-L324 HydrophobicContact CG-CD1 4.37Å; F303-R325 CarbonylContact C-O 3.58Å; F303-R325 VanDerWaalsContact CA-O 3.3Å; F303-R325 WeakPolarHBondContact CA-O 3.3Å; F303-C326 HydrophobicContact CD1-CB 4.16Å; F303-C326 HydrophobicContact CE1-CB 3.87Å; F303-A334 HydrophobicContact CE1-CB 4.45Å; F303-A334 HydrophobicContact CE2-CB 4.17Å; F303-A334 HydrophobicContact CZ-CB 3.48Å; F303-A334 VanDerWaalsContact CZ-CB 3.48Å; F303-V337 HydrophobicContact CE1-CG1 4.48Å; F303-V337 HydrophobicContact CE1-CG2 4.47Å; F303-V337 HydrophobicContact CE2-CG2 4.38Å; F303-V337 HydrophobicContact CZ-CG1 4.18Å; F303-V337 HydrophobicContact CZ-CG2 3.71Å; F303-V375 HydrophobicContact CE1-CB 4.43Å; F303-V375 HydrophobicContact CE1-CG1 4.31Å; F303-L414 HydrophobicContact CB-CD2 3.75Å; F303-L414 HydrophobicContact CD1-CD2 4.4Å; F303-L414 HydrophobicContact CD2-CD2 3.46Å; F303-L414 VanDerWaalsContact CD2-CD2 3.46Å; F303-L414 HydrophobicContact CE2-CD2 4.14Å; F303-L414 HydrophobicContact CG-CD2 3.61Å; F303-F416 AromaticContact CD2-CD1 3.81Å; F303-F416 HydrophobicContact CD2-CD1 3.81Å; F303-F416 AromaticContact CD2-CE1 3.82Å; F303-F416 HydrophobicContact CD2-CE1 3.82Å; F303-F416 HydrophobicContact CD2-CG 4.22Å; F303-F416 HydrophobicContact CD2-CZ 4.24Å; F303-F416 HydrophobicContact CE2-CB 4.03Å; F303-F416 AromaticContact CE2-CD1 3.69Å; F303-F416 HydrophobicContact CE2-CD1 3.69Å; F303-F416 HydrophobicContact CE2-CD2 4.02Å; F303-F416 HydrophobicContact CE2-CE1 4.09Å; F303-F416 HydrophobicContact CE2-CE2 4.41Å; F303-F416 AromaticContact CE2-CG 3.64Å; F303-F416 HydrophobicContact CE2-CG 3.64Å; F303-F416 HydrophobicContact CE2-CZ 4.43Å; F303-L418 HydrophobicContact CE2-CD2 4.4Å; F303-Y456 PolarHBondContact O-OH 2.81Å |
| 304 | R | 93.8 | Very high | 85.6 | Confident | 99 Ų | 99 | 69.7 Ų | 69.7 | 37% | 0.374 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 135.5 | 162.5 | -63.2 | -174.4 | -145.8 | -178.8 | 4.4 | 109.1 | F306 R325 D327 | R304-F306 HydrophobicContact CB-CE2 3.95Å; R304-F306 HydrophobicContact CB-CZ 4.15Å; R304-R325 PolarHBondContact N-O 3.13Å; R304-R325 PolarHBondContact O-N 3.49Å; R304-D327 IonicContact CZ-OD2 2.7Å; R304-D327 IonicContact NE-OD2 2.86Å; R304-D327 PolarHBondContact NE-OD2 2.7Å; R304-D327 IonicContact NH2-OD2 3.2Å; R304-D327 PolarHBondContact NH2-OD2 3.27Å |
| 305 | L | 95.3 | Very high | 85.1 | Confident | 17 Ų | 17 | 70.6 Ų | 70.6 | 9% | 0.089 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 131.7 | 175.9 | -177.1 | 68.6 | 0 | 0 | 0 | 109.2 | P307 L322 L324 L339 A412 I458 I460 | L305-P307 WeakPolarHBondContact O-CD 3.45Å; L305-L322 HydrophobicContact CD1-CB 4.17Å; L305-L322 HydrophobicContact CD1-CD2 4.42Å; L305-L324 HydrophobicContact CB-CD1 4.43Å; L305-L324 HydrophobicContact CD1-CD1 4.26Å; L305-L339 HydrophobicContact CD1-CD1 3.76Å; L305-L339 HydrophobicContact CD2-CD1 3.92Å; L305-L339 HydrophobicContact CG-CD1 4.49Å; L305-A412 HydrophobicContact CD2-CB 3.83Å; L305-I458 HydrophobicContact CB-CD1 3.57Å; L305-I458 HydrophobicContact CB-CG2 4.29Å; L305-I458 HydrophobicContact CD2-CB 4.42Å; L305-I458 HydrophobicContact CD2-CD1 4.07Å; L305-I458 HydrophobicContact CD2-CG2 4.23Å; L305-I458 HydrophobicContact CG-CD1 4.48Å; L305-I460 HydrophobicContact CD2-CD1 4.29Å |
| 306 | F | 94.8 | Very high | 85.1 | Confident | 99 Ų | 99 | 65.7 Ų | 65.7 | 43% | 0.434 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 91.7 | 172.6 | -57 | -87.9 | 0 | 0 | 0 | 107.8 | R304 K323 R325 | R304-F306 HydrophobicContact CB-CE2 3.95Å; R304-F306 HydrophobicContact CB-CZ 4.15Å; F306-K323 HydrophobicContact CB-CB 4.24Å; F306-K323 PolarHBondContact N-O 2.79Å; F306-K323 PolarHBondContact O-N 2.79Å; F306-K323 VanDerWaalsContact O-N 3.1Å; F306-R325 HydrophobicContact CE2-CB 3.93Å |
| 307 | P | 93.5 | Very high | 85.7 | Confident | 43 Ų | 43 | 67.6 Ų | 67.6 | 28% | 0.279 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 145.9 | 177.9 | 34.4 | -33.6 | 0 | 0 | 0 | 111 | L305 Y321 L322 I460 | L305-P307 WeakPolarHBondContact O-CD 3.45Å; P307-Y321 CarbonylContact C-O 3.58Å; P307-Y321 WeakPolarHBondContact CA-O 3.22Å; P307-L322 HydrophobicContact CB-CD2 3.86Å; P307-I460 HydrophobicContact CB-CD1 4Å; P307-I460 HydrophobicContact CB-CG1 4.22Å; P307-I460 HydrophobicContact CB-CG2 3.8Å; P307-I460 HydrophobicContact CG-CB 4.42Å; P307-I460 HydrophobicContact CG-CD1 4.46Å; P307-I460 HydrophobicContact CG-CG1 4.15Å; P307-I460 HydrophobicContact CG-CG2 3.96Å |
| 308 | S | 92.6 | Very high | 86.3 | Confident | 53 Ų | 53 | 66.3 Ų | 66.3 | 37% | 0.371 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 121.3 | 167.5 | 176.7 | 0 | 0 | 0 | 0 | 108.2 | Y321 | S308-Y321 PolarHBondContact N-O 3.14Å; S308-Y321 PolarHBondContact O-N 2.9Å |
| 309 | V | 90.8 | Very high | 87 | Confident | 43 Ų | 43 | 66.6 Ų | 66.6 | 26% | 0.261 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 124.6 | -175.2 | -177.7 | 0 | 0 | 0 | 0 | 108.9 | L318 V320 L407 L409 I460 | V309-L318 HydrophobicContact CG1-CD1 3.76Å; V309-V320 HydrophobicContact CG2-CG1 4.47Å; V309-L407 HydrophobicContact CG1-CD1 3.89Å; V309-L409 HydrophobicContact CB-CD1 4.35Å; V309-L409 HydrophobicContact CG1-CD1 3.58Å; V309-L409 HydrophobicContact CG2-CD1 3.9Å; V309-I460 HydrophobicContact CG2-CG2 3.83Å |
| 310 | Q | 89.1 | Confident | 87.8 | Confident | 112 Ų | 112 | 64.8 Ų | 64.8 | 52% | 0.523 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 131.9 | 175 | -63.8 | 178.2 | 1.4 | 0 | 0 | 108.6 | Q319 | Q310-Q319 HydrophobicContact CB-CB 4.32Å; Q310-Q319 PolarHBondContact N-O 3.26Å; Q310-Q319 PolarHBondContact O-N 3.2Å |
| 311 | W | 84.6 | Confident | 88.3 | Confident | 72 Ų | 72 | 63.1 Ų | 63.1 | 27% | 0.273 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 118 | 177.5 | -179.4 | -74.7 | 0 | 0 | 0 | 109.4 | L318 P344 V389 L407 | W311-L318 HydrophobicContact CE3-CB 3.57Å; W311-L318 HydrophobicContact CE3-CD1 3.7Å; W311-L318 HydrophobicContact CE3-CD2 4.34Å; W311-L318 HydrophobicContact CE3-CG 4.02Å; W311-L318 HydrophobicContact CZ3-CB 3.63Å; W311-L318 HydrophobicContact CZ3-CD1 4.29Å; W311-L318 HydrophobicContact CZ3-CD2 4.1Å; W311-L318 HydrophobicContact CZ3-CG 4.18Å; W311-P344 HydrophobicContact CZ3-CG 4.39Å; W311-V389 HydrophobicContact CH2-CB 3.36Å; W311-V389 HydrophobicContact CH2-CG1 3.64Å; W311-V389 HydrophobicContact CH2-CG2 3.49Å; W311-V389 VanDerWaalsContact CH2-CG2 3.49Å; W311-V389 HydrophobicContact CZ2-CB 4.08Å; W311-V389 HydrophobicContact CZ2-CG1 4.43Å; W311-V389 HydrophobicContact CZ3-CB 4.1Å; W311-V389 HydrophobicContact CZ3-CG2 3.68Å; W311-L407 HydrophobicContact CB-CD2 3.59Å; W311-L407 HydrophobicContact CD2-CD2 3.98Å; W311-L407 HydrophobicContact CE3-CD2 3.97Å; W311-L407 HydrophobicContact CG-CD2 3.81Å |
| 312 | D | 82.5 | Confident | 88.5 | Confident | 86 Ų | 86 | 62 Ų | 62 | 46% | 0.46 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 104.2 | 170.9 | -179.6 | 11.4 | 0 | 0 | 0 | 110 | G314 S315 G316 R317 | D312-G314 PolarHBondContact O-N 3.2Å; D312-G314 PolarHBondContact OD1-N 3.42Å; D312-S315 WeakPolarHBondContact CB-OG 3.45Å; D312-S315 PolarHBondContact O-N 3.07Å; D312-S315 VanDerWaalsContact OD2-CB 3.26Å; D312-S315 WeakPolarHBondContact OD2-CB 3.46Å; D312-S315 PolarHBondContact OD2-N 2.88Å; D312-S315 PolarHBondContact OD2-OG 2.86Å; D312-G316 WeakPolarHBondContact O-CA 3.3Å; D312-G316 PolarHBondContact O-N 3.41Å; D312-R317 PolarHBondContact N-O 2.93Å; D312-R317 PolarHBondContact O-N 2.86Å |
| 313 | R | 70.6 | Confident | 88.7 | Confident | 221 Ų | 221 | 65 Ų | 65 | 83% | 0.834 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -24.7 | 179.1 | -64.1 | -173.7 | 177.7 | -177.5 | -0.9 | 112.7 | ||
| 314 | G | 72.4 | Confident | 88.8 | Confident | 76 Ų | 76 | 65.1 Ų | 65.1 | 78% | 0.784 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -40 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D312 | D312-G314 PolarHBondContact O-N 3.2Å; D312-G314 PolarHBondContact OD1-N 3.42Å |
| 315 | S | 77.4 | Confident | 88.9 | Confident | 58 Ų | 58 | 64.8 Ų | 64.8 | 41% | 0.406 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -10 | 179.4 | 64.6 | 0 | 0 | 0 | 0 | 114.4 | D312 R317 | D312-S315 WeakPolarHBondContact CB-OG 3.45Å; D312-S315 PolarHBondContact O-N 3.07Å; D312-S315 VanDerWaalsContact OD2-CB 3.26Å; D312-S315 WeakPolarHBondContact OD2-CB 3.46Å; D312-S315 PolarHBondContact OD2-N 2.88Å; D312-S315 PolarHBondContact OD2-OG 2.86Å; S315-R317 PolarHBondContact O-N 2.79Å; S315-R317 WeakPolarHBondContact OG-CB 3.48Å; S315-R317 WeakPolarHBondContact OG-CG 3.44Å; S315-R317 PolarHBondContact OG-N 2.78Å |
| 316 | G | 79.4 | Confident | 88.9 | Confident | 15 Ų | 15 | 64 Ų | 64 | 16% | 0.155 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.5 | 18.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113 | D312 V389 | D312-G316 WeakPolarHBondContact O-CA 3.3Å; D312-G316 PolarHBondContact O-N 3.41Å; G316-V389 PolarHBondContact O-N 2.82Å |
| 317 | R | 86.8 | Confident | 88.9 | Confident | 153 Ų | 153 | 60.6 Ų | 60.6 | 58% | 0.577 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 124.5 | -178 | -68.2 | -178 | 176.3 | -166.7 | 1.6 | 111.1 | D312 S315 M387 D388 | D312-R317 PolarHBondContact N-O 2.93Å; D312-R317 PolarHBondContact O-N 2.86Å; S315-R317 PolarHBondContact O-N 2.79Å; S315-R317 WeakPolarHBondContact OG-CB 3.48Å; S315-R317 WeakPolarHBondContact OG-CG 3.44Å; S315-R317 PolarHBondContact OG-N 2.78Å; R317-M387 WeakPolarHBondContact CA-O 3.36Å; R317-D388 IonicContact NE-OD1 3.85Å |
| 318 | L | 89.2 | Confident | 88.9 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 122.7 | 169.6 | 170.6 | 61.3 | 0 | 0 | 0 | 108.8 | V309 W311 V320 P344 Q386 M387 V389 L409 | V309-L318 HydrophobicContact CG1-CD1 3.76Å; W311-L318 HydrophobicContact CE3-CB 3.57Å; W311-L318 HydrophobicContact CE3-CD1 3.7Å; W311-L318 HydrophobicContact CE3-CD2 4.34Å; W311-L318 HydrophobicContact CE3-CG 4.02Å; W311-L318 HydrophobicContact CZ3-CB 3.63Å; W311-L318 HydrophobicContact CZ3-CD1 4.29Å; W311-L318 HydrophobicContact CZ3-CD2 4.1Å; W311-L318 HydrophobicContact CZ3-CG 4.18Å; L318-V320 HydrophobicContact CD1-CG2 3.81Å; L318-V320 HydrophobicContact CD2-CG2 4.14Å; L318-V320 HydrophobicContact CG-CG2 3.86Å; L318-P344 HydrophobicContact CD2-CG 4.23Å; L318-Q386 WeakPolarHBondContact O-CA 3.41Å; L318-M387 HydrophobicContact CB-CB 4.25Å; L318-M387 HydrophobicContact CD2-SD 3.88Å; L318-M387 HydrophobicContact CG-SD 4.45Å; L318-M387 PolarHBondContact N-O 2.97Å; L318-M387 PolarHBondContact O-N 2.93Å; L318-V389 HydrophobicContact CB-CG2 4.26Å; L318-L409 HydrophobicContact CD2-CD2 4.5Å |
| 319 | Q | 92.1 | Very high | 88.8 | Confident | 67 Ų | 67 | 60 Ų | 60 | 31% | 0.313 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 115.4 | 174.9 | -176.2 | 173.2 | -23.8 | 0 | 0 | 109.1 | Q310 L384 F385 Q386 | Q310-Q319 HydrophobicContact CB-CB 4.32Å; Q310-Q319 PolarHBondContact N-O 3.26Å; Q310-Q319 PolarHBondContact O-N 3.2Å; Q319-L384 HydrophobicContact CG-CD1 3.57Å; Q319-F385 WeakPolarHBondContact CA-O 3.41Å; Q319-Q386 HydrophobicContact CG-CG 4.3Å |
| 320 | V | 93.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 113.5 | 177.4 | -176 | 0 | 0 | 0 | 0 | 108.2 | V309 L318 L322 L341 F385 M387 | V309-V320 HydrophobicContact CG2-CG1 4.47Å; L318-V320 HydrophobicContact CD1-CG2 3.81Å; L318-V320 HydrophobicContact CD2-CG2 4.14Å; L318-V320 HydrophobicContact CG-CG2 3.86Å; V320-L322 HydrophobicContact CG1-CD1 4.44Å; V320-L322 HydrophobicContact CG1-CD2 3.66Å; V320-L322 HydrophobicContact CG1-CG 3.84Å; V320-L341 HydrophobicContact CG1-CD2 3.94Å; V320-F385 HydrophobicContact CB-CB 4.42Å; V320-F385 PolarHBondContact N-O 3.34Å; V320-F385 WeakPolarHBondContact O-CD2 3.44Å; V320-F385 PolarHBondContact O-N 3.02Å; V320-M387 HydrophobicContact CB-CE 4.02Å; V320-M387 HydrophobicContact CG2-CE 3.75Å |
| 321 | Y | 95.8 | Very high | 89 | Confident | 85 Ų | 85 | 66.2 Ų | 66.2 | 33% | 0.333 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 120.9 | 169.6 | 177.8 | -101.5 | 0 | 0 | 0 | 109.2 | P307 S308 K323 S382 L384 | P307-Y321 CarbonylContact C-O 3.58Å; P307-Y321 WeakPolarHBondContact CA-O 3.22Å; S308-Y321 PolarHBondContact N-O 3.14Å; S308-Y321 PolarHBondContact O-N 2.9Å; Y321-K323 HydrophobicContact CE1-CB 3.88Å; Y321-S382 VanDerWaalsContact OH-CB 3.25Å; Y321-S382 WeakPolarHBondContact OH-CB 3.45Å; Y321-S382 PolarHBondContact OH-OG 2.81Å; Y321-L384 HydrophobicContact CD2-CB 4.23Å; Y321-L384 HydrophobicContact CD2-CD1 4.22Å |
| 322 | L | 96.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 126.4 | 177.4 | -59.4 | -177.4 | 0 | 0 | 0 | 109.3 | L305 P307 V320 L339 L341 L368 W370 S382 G383 F385 I460 | L305-L322 HydrophobicContact CD1-CB 4.17Å; L305-L322 HydrophobicContact CD1-CD2 4.42Å; P307-L322 HydrophobicContact CB-CD2 3.86Å; V320-L322 HydrophobicContact CG1-CD1 4.44Å; V320-L322 HydrophobicContact CG1-CD2 3.66Å; V320-L322 HydrophobicContact CG1-CG 3.84Å; L322-L339 HydrophobicContact CD1-CD1 4.17Å; L322-L339 HydrophobicContact CD1-CD2 3.65Å; L322-L341 HydrophobicContact CD1-CD2 4.23Å; L322-L368 HydrophobicContact CD1-CD2 4.24Å; L322-W370 HydrophobicContact CB-CE3 4.36Å; L322-W370 HydrophobicContact CB-CZ3 3.91Å; L322-W370 HydrophobicContact CD1-CE3 4.36Å; L322-S382 CarbonylContact O-C 3.48Å; L322-S382 WeakPolarHBondContact O-CA 3.33Å; L322-S382 WeakPolarHBondContact O-CB 3.45Å; L322-G383 PolarHBondContact N-O 3.12Å; L322-G383 PolarHBondContact O-N 2.81Å; L322-F385 HydrophobicContact CB-CE2 4.15Å; L322-F385 HydrophobicContact CD1-CD2 4.27Å; L322-F385 HydrophobicContact CD1-CE2 3.88Å; L322-F385 HydrophobicContact CG-CD2 4.26Å; L322-F385 HydrophobicContact CG-CE2 4.05Å; L322-I460 HydrophobicContact CD2-CD1 4.35Å |
| 323 | K | 96.7 | Very high | 89.9 | Confident | 66 Ų | 66 | 61.6 Ų | 61.6 | 29% | 0.287 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 112.9 | 171.5 | 177.7 | 178.2 | -179.4 | 176.5 | 0 | 109.9 | F306 Y321 L381 | F306-K323 HydrophobicContact CB-CB 4.24Å; F306-K323 PolarHBondContact N-O 2.79Å; F306-K323 PolarHBondContact O-N 2.79Å; F306-K323 VanDerWaalsContact O-N 3.1Å; Y321-K323 HydrophobicContact CE1-CB 3.88Å; K323-L381 CarbonylContact C-O 3.53Å; K323-L381 WeakPolarHBondContact CA-O 3.43Å |
| 324 | L | 96.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 119.9 | 177.9 | -170.8 | 71.4 | 0 | 0 | 0 | 109.7 | F303 L305 V337 W370 L372 Q380 L381 L414 | F303-L324 HydrophobicContact CB-CD1 4.1Å; F303-L324 HydrophobicContact CD1-CD1 4.09Å; F303-L324 HydrophobicContact CD1-CD2 3.95Å; F303-L324 HydrophobicContact CD1-CG 3.94Å; F303-L324 HydrophobicContact CE1-CD2 4.12Å; F303-L324 HydrophobicContact CG-CD1 4.37Å; L305-L324 HydrophobicContact CB-CD1 4.43Å; L305-L324 HydrophobicContact CD1-CD1 4.26Å; L324-V337 HydrophobicContact CD2-CG1 4.01Å; L324-W370 HydrophobicContact CB-CH2 4.2Å; L324-W370 HydrophobicContact CB-CZ3 4.09Å; L324-L372 HydrophobicContact CD2-CD1 3.45Å; L324-L372 VanDerWaalsContact CD2-CD1 3.45Å; L324-Q380 WeakPolarHBondContact O-CA 3.24Å; L324-L381 PolarHBondContact N-O 2.82Å; L324-L381 PolarHBondContact O-N 2.97Å; L324-L414 HydrophobicContact CD1-CD1 4.46Å; L324-L414 HydrophobicContact CD1-CD2 4.35Å; L324-L414 HydrophobicContact CD2-CD1 4.32Å |
| 325 | R | 95.9 | Very high | 92.2 | Very high | 92 Ų | 92 | 49.6 Ų | 49.6 | 35% | 0.347 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 131 | 174.1 | 176.5 | 176.5 | 172.1 | 167.7 | -4.3 | 109.6 | F303 R304 F306 D327 Q380 | F303-R325 CarbonylContact C-O 3.58Å; F303-R325 VanDerWaalsContact CA-O 3.3Å; F303-R325 WeakPolarHBondContact CA-O 3.3Å; R304-R325 PolarHBondContact N-O 3.13Å; R304-R325 PolarHBondContact O-N 3.49Å; F306-R325 HydrophobicContact CE2-CB 3.93Å; R325-D327 IonicContact CZ-OD1 3.04Å; R325-D327 IonicContact NE-OD1 2.69Å; R325-D327 PolarHBondContact NE-OD1 2.97Å; R325-D327 IonicContact NH2-OD1 3.25Å; R325-D327 PolarHBondContact NH2-OD1 3.08Å; R325-Q380 HydrophobicContact CB-CG 3.95Å; R325-Q380 HydrophobicContact CG-CG 3.86Å |
| 326 | C | 95.8 | Very high | 93 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 113.6 | 173.4 | -174.5 | 0 | 0 | 0 | 0 | 109.5 | P302 F303 L328 V375 Q376 G378 S379 | P302-C326 CarbonylContact O-C 3.54Å; P302-C326 WeakPolarHBondContact O-CA 3.47Å; F303-C326 HydrophobicContact CD1-CB 4.16Å; F303-C326 HydrophobicContact CE1-CB 3.87Å; C326-L328 VanDerWaalsContact C-N 3.33Å; C326-V375 HydrophobicContact CB-CG1 3.64Å; C326-Q376 WeakPolarHBondContact CB-O 3.08Å; C326-G378 VanDerWaalsContact O-CA 3.24Å; C326-G378 WeakPolarHBondContact O-CA 3.19Å; C326-G378 PolarHBondContact O-N 2.99Å; C326-S379 PolarHBondContact N-O 2.79Å |
| 327 | D | 94.1 | Very high | 93.8 | Very high | 28 Ų | 28 | 50.2 Ų | 50.2 | 15% | 0.15 | 24% | 0.242 | C | C | . | . | trans | -94.5 | 11.9 | -178.5 | -78.6 | -26.4 | 0 | 0 | 0 | 113.1 | P302 R304 R325 | P302-D327 PolarHBondContact O-N 2.75Å; R304-D327 IonicContact CZ-OD2 2.7Å; R304-D327 IonicContact NE-OD2 2.86Å; R304-D327 PolarHBondContact NE-OD2 2.7Å; R304-D327 IonicContact NH2-OD2 3.2Å; R304-D327 PolarHBondContact NH2-OD2 3.27Å; R325-D327 IonicContact CZ-OD1 3.04Å; R325-D327 IonicContact NE-OD1 2.69Å; R325-D327 PolarHBondContact NE-OD1 2.97Å; R325-D327 IonicContact NH2-OD1 3.25Å; R325-D327 PolarHBondContact NH2-OD1 3.08Å | ||
| 328 | L | 93.6 | Very high | 94.3 | Very high | 9 Ų | 9 | 49.7 Ų | 49.7 | 5% | 0.047 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -64 | 155.1 | 170 | -63.9 | 174.4 | 0 | 0 | 0 | 111.5 | P302 C326 A334 G377 G378 L418 | P302-L328 HydrophobicContact CB-CD2 3.89Å; P302-L328 HydrophobicContact CB-CG 4.18Å; C326-L328 VanDerWaalsContact C-N 3.33Å; L328-A334 HydrophobicContact CD1-CB 4.13Å; L328-G377 CarbonylContact O-C 3.57Å; L328-G377 WeakPolarHBondContact O-CA 3.37Å; L328-G378 PolarHBondContact O-N 2.89Å; L328-G378 VanDerWaalsContact O-N 3.15Å; L328-L418 HydrophobicContact CD1-CD2 3.69Å; L328-L418 HydrophobicContact CD2-CD1 4.24Å |
| 329 | P | 92.1 | Very high | 94.6 | Very high | 75 Ų | 75 | 49.7 Ų | 49.7 | 49% | 0.487 | 24% | 0.24 | S | C | . | . | trans | -54.1 | 145.2 | 171.6 | -24.8 | 33.9 | 0 | 0 | 0 | 111.7 | K331 S332 | P329-K331 PolarHBondContact O-N 3.43Å; P329-S332 WeakPolarHBondContact O-CA 3.18Å; P329-S332 WeakPolarHBondContact O-CB 3.16Å; P329-S332 PolarHBondContact O-N 2.77Å | ||
| 330 | S | 91.6 | Very high | 94.8 | Very high | 92 Ų | 92 | 49.8 Ų | 49.8 | 64% | 0.643 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -14 | -176.1 | 59.1 | 0 | 0 | 0 | 0 | 115.4 | Q376 G377 | S330-Q376 PolarHBondContact O-NE2 3.36Å; S330-G377 WeakPolarHBondContact CA-O 3.41Å |
| 331 | K | 91.3 | Very high | 94.8 | Very high | 194 Ų | 194 | 49.8 Ų | 49.8 | 84% | 0.843 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -12.9 | 173.5 | -64.3 | 179.7 | -179.8 | 177.1 | 0 | 113.2 | P329 | P329-K331 PolarHBondContact O-N 3.43Š|
| 332 | S | 92.7 | Very high | 94.7 | Very high | 24 Ų | 24 | 47.7 Ų | 47.7 | 17% | 0.168 | 24% | 0.237 | C | C | . | . | trans | -96.5 | 159.2 | -179.2 | -60.9 | 0 | 0 | 0 | 0 | 110.5 | P329 Q376 G377 | P329-S332 WeakPolarHBondContact O-CA 3.18Å; P329-S332 WeakPolarHBondContact O-CB 3.16Å; P329-S332 PolarHBondContact O-N 2.77Å; S332-Q376 PolarHBondContact O-NE2 2.89Å; S332-G377 PolarHBondContact O-N 3.19Å | ||
| 333 | Q | 93.6 | Very high | 94.4 | Very high | 37 Ų | 37 | 48.4 Ų | 48.4 | 17% | 0.173 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 144.6 | 176.4 | 63.9 | -173.5 | -14.4 | 0 | 0 | 108.5 | L335 R374 V375 | Q333-L335 HydrophobicContact CG-CD2 4.29Å; Q333-R374 VanDerWaalsContact OE1-CZ 3.25Å; Q333-V375 WeakPolarHBondContact CA-O 3.36Å |
| 334 | A | 95.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 144.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | F303 L328 V337 R374 V375 L418 | F303-A334 HydrophobicContact CE1-CB 4.45Å; F303-A334 HydrophobicContact CE2-CB 4.17Å; F303-A334 HydrophobicContact CZ-CB 3.48Å; F303-A334 VanDerWaalsContact CZ-CB 3.48Å; L328-A334 HydrophobicContact CD1-CB 4.13Å; A334-V337 HydrophobicContact CB-CG2 3.65Å; A334-R374 WeakPolarHBondContact O-CA 3.4Å; A334-V375 PolarHBondContact N-O 2.87Å; A334-V375 PolarHBondContact O-N 3.36Å; A334-L418 HydrophobicContact CB-CD2 3.54Å |
| 335 | L | 95.4 | Very high | 93.1 | Very high | 45 Ų | 45 | 57.5 Ų | 57.5 | 24% | 0.236 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 155.7 | 179.5 | -57.9 | -179.8 | 0 | 0 | 0 | 110.1 | Q333 V337 R374 E417 P419 | Q333-L335 HydrophobicContact CG-CD2 4.29Å; L335-V337 PolarHBondContact O-N 2.67Å; L335-V337 VanDerWaalsContact O-N 3.12Å; L335-R374 HydrophobicContact CD2-CB 4.48Å; L335-R374 HydrophobicContact CD2-CG 4.31Å; L335-E417 PolarHBondContact N-O 2.8Å; L335-E417 PolarHBondContact O-N 3.1Å; L335-P419 HydrophobicContact CD1-CG 3.92Å; L335-P419 HydrophobicContact CG-CG 4.22Å |
| 336 | N | 94.5 | Very high | 92.2 | Very high | 86 Ų | 86 | 55.3 Ų | 55.3 | 46% | 0.46 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 51.5 | 39.4 | 173.1 | -58.2 | -38.2 | 0 | 0 | 0 | 112.3 | R338 P373 E417 | N336-R338 PolarHBondContact O-N 3.06Å; N336-P373 PolarHBondContact N-O 3.03Å; N336-E417 PolarHBondContact ND2-OE2 2.92Å |
| 337 | V | 96.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 125.8 | -179.5 | -178 | 0 | 0 | 0 | 0 | 107.6 | F303 L324 A334 L335 L372 V375 L414 S415 F416 | F303-V337 HydrophobicContact CE1-CG1 4.48Å; F303-V337 HydrophobicContact CE1-CG2 4.47Å; F303-V337 HydrophobicContact CE2-CG2 4.38Å; F303-V337 HydrophobicContact CZ-CG1 4.18Å; F303-V337 HydrophobicContact CZ-CG2 3.71Å; L324-V337 HydrophobicContact CD2-CG1 4.01Å; A334-V337 HydrophobicContact CB-CG2 3.65Å; L335-V337 PolarHBondContact O-N 2.67Å; L335-V337 VanDerWaalsContact O-N 3.12Å; V337-L372 HydrophobicContact CB-CB 3.89Å; V337-L372 WeakPolarHBondContact CB-O 3.43Å; V337-L372 HydrophobicContact CG1-CB 4.29Å; V337-L372 HydrophobicContact CG1-CD1 4.11Å; V337-L372 PolarHBondContact N-O 3.45Å; V337-L372 CarbonylContact O-C 3.59Å; V337-L372 WeakPolarHBondContact O-CA 3.43Å; V337-L372 WeakPolarHBondContact O-CB 3.37Å; V337-L372 PolarHBondContact O-N 2.95Å; V337-V375 HydrophobicContact CB-CG2 4.15Å; V337-V375 HydrophobicContact CG2-CG2 3.89Å; V337-L414 HydrophobicContact CG1-CD1 3.84Å; V337-L414 HydrophobicContact CG1-CG 4.3Å; V337-S415 CarbonylContact C-O 3.53Å; V337-S415 VanDerWaalsContact CA-O 3.26Å; V337-S415 WeakPolarHBondContact CA-O 3.49Å; V337-F416 HydrophobicContact CB-CB 4.34Å; V337-F416 HydrophobicContact CG1-CB 4.42Å; V337-F416 HydrophobicContact CG2-CB 3.83Å |
| 338 | R | 96.3 | Very high | 91.2 | Very high | 141 Ų | 141 | 59.7 Ų | 59.7 | 53% | 0.532 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 127.6 | 178.7 | -50.6 | 179.4 | -76.1 | -176.8 | -5.6 | 109.6 | N336 W370 D371 L414 S415 | N336-R338 PolarHBondContact O-N 3.06Å; R338-W370 WeakPolarHBondContact CA-O 3.4Å; R338-D371 WeakPolarHBondContact CD-OD1 3.41Å; R338-D371 WeakPolarHBondContact CG-OD1 3.48Å; R338-L414 CarbonylContact O-C 3.51Å; R338-L414 WeakPolarHBondContact O-CA 3.45Å; R338-S415 WeakPolarHBondContact CB-OG 3.39Å; R338-S415 PolarHBondContact N-O 3.4Å; R338-S415 PolarHBondContact NE-OG 3.49Å; R338-S415 VanDerWaalsContact NE-OG 3.13Å; R338-S415 PolarHBondContact O-N 3.11Å |
| 339 | L | 96.6 | Very high | 90.9 | Very high | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 127.1 | 174.8 | -177.1 | 152.2 | 0 | 0 | 0 | 109.1 | L305 L322 L341 R369 W370 A412 S413 L414 | L305-L339 HydrophobicContact CD1-CD1 3.76Å; L305-L339 HydrophobicContact CD2-CD1 3.92Å; L305-L339 HydrophobicContact CG-CD1 4.49Å; L322-L339 HydrophobicContact CD1-CD1 4.17Å; L322-L339 HydrophobicContact CD1-CD2 3.65Å; L339-L341 HydrophobicContact CD2-CB 3.91Å; L339-R369 CarbonylContact O-C 3.57Å; L339-R369 WeakPolarHBondContact O-CA 3.48Å; L339-W370 HydrophobicContact CB-CB 4.32Å; L339-W370 HydrophobicContact CB-CE3 4.3Å; L339-W370 HydrophobicContact CD1-CE3 4.21Å; L339-W370 PolarHBondContact N-O 2.99Å; L339-W370 PolarHBondContact O-N 2.87Å; L339-A412 HydrophobicContact CD2-CB 4.43Å; L339-A412 HydrophobicContact CG-CB 4.41Å; L339-S413 CarbonylContact C-O 3.52Å; L339-S413 WeakPolarHBondContact CA-O 3.49Å; L339-L414 HydrophobicContact CB-CD1 3.86Å; L339-L414 HydrophobicContact CD1-CD1 4.41Å; L339-L414 HydrophobicContact CG-CD1 4.43Å |
| 340 | H | 95.5 | Very high | 90.8 | Very high | 68 Ų | 68 | 59.7 Ų | 59.7 | 32% | 0.315 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 117.1 | 175.7 | 177.1 | -88.9 | 0 | 0 | 0 | 109.1 | A367 L368 A412 S413 | H340-A367 WeakPolarHBondContact NE2-CB 3.28Å; H340-L368 WeakPolarHBondContact CA-O 3.42Å; H340-A412 CarbonylContact O-C 3.5Å; H340-A412 WeakPolarHBondContact O-CA 3.49Å; H340-S413 PolarHBondContact N-O 3.03Å; H340-S413 PolarHBondContact O-N 3.2Å |
| 341 | L | 94.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 109.2 | 178.3 | 173.8 | 58.5 | 0 | 0 | 0 | 109.7 | V320 L322 L339 L343 A367 L368 G410 A412 I460 | V320-L341 HydrophobicContact CG1-CD2 3.94Å; L322-L341 HydrophobicContact CD1-CD2 4.23Å; L339-L341 HydrophobicContact CD2-CB 3.91Å; L341-L343 HydrophobicContact CD2-CD2 4.4Å; L341-L343 HydrophobicContact CG-CD2 4.28Å; L341-L343 PolarHBondContact O-N 3.39Å; L341-A367 CarbonylContact O-C 3.53Å; L341-A367 WeakPolarHBondContact O-CA 3.49Å; L341-A367 WeakPolarHBondContact O-CB 3.26Å; L341-L368 HydrophobicContact CB-CB 4.28Å; L341-L368 HydrophobicContact CD2-CD2 4.49Å; L341-L368 PolarHBondContact N-O 2.84Å; L341-L368 PolarHBondContact O-N 2.93Å; L341-G410 WeakPolarHBondContact CD1-O 3.44Å; L341-A412 HydrophobicContact CD1-CB 4.33Å; L341-I460 HydrophobicContact CD1-CD1 3.6Å; L341-I460 HydrophobicContact CD2-CD1 4.12Å; L341-I460 HydrophobicContact CG-CD1 4.49Å |
| 342 | P | 92.7 | Very high | 91 | Very high | 41 Ų | 41 | 52.9 Ų | 52.9 | 27% | 0.266 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 129.3 | 173 | -19.9 | 31.6 | 0 | 0 | 0 | 110.9 | G410 P411 | P342-G410 PolarHBondContact O-N 2.67Å; P342-G410 VanDerWaalsContact O-N 3.14Å; P342-P411 WeakPolarHBondContact CD-O 3.41Å |
| 343 | L | 89.9 | Confident | 91.1 | Very high | 15 Ų | 15 | 57.4 Ų | 57.4 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -102.9 | 162.9 | -176.5 | -62 | 173.6 | 0 | 0 | 0 | 111.8 | L341 V347 L363 G366 L368 M387 L409 | L341-L343 HydrophobicContact CD2-CD2 4.4Å; L341-L343 HydrophobicContact CG-CD2 4.28Å; L341-L343 PolarHBondContact O-N 3.39Å; L343-V347 HydrophobicContact CB-CG2 4.04Å; L343-V347 HydrophobicContact CD1-CG1 4.28Å; L343-V347 HydrophobicContact CD1-CG2 4.33Å; L343-L363 HydrophobicContact CD1-CD1 3.46Å; L343-L363 VanDerWaalsContact CD1-CD1 3.46Å; L343-G366 WeakPolarHBondContact CB-O 3.36Å; L343-G366 PolarHBondContact N-O 2.96Å; L343-L368 HydrophobicContact CD1-CB 4.01Å; L343-L368 HydrophobicContact CD2-CB 4.23Å; L343-L368 HydrophobicContact CG-CB 4.22Å; L343-M387 HydrophobicContact CD1-CE 4.35Å; L343-M387 HydrophobicContact CD1-SD 3.51Å; L343-M387 VanDerWaalsContact CD1-SD 3.51Å; L343-M387 HydrophobicContact CD2-CE 3.83Å; L343-M387 HydrophobicContact CD2-SD 3.61Å; L343-M387 HydrophobicContact CG-SD 4.16Å; L343-L409 HydrophobicContact CD2-CD2 3.86Å |
| 344 | P | 85.1 | Confident | 91.3 | Very high | 16 Ų | 16 | 58 Ų | 58 | 10% | 0.104 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 150.1 | 174.1 | -19.3 | 34.5 | 0 | 0 | 0 | 110.8 | W311 L318 G346 V347 L407 L409 | W311-P344 HydrophobicContact CZ3-CG 4.39Å; L318-P344 HydrophobicContact CD2-CG 4.23Å; P344-G346 PolarHBondContact O-N 2.9Å; P344-V347 WeakPolarHBondContact O-CG2 3.32Å; P344-L407 WeakPolarHBondContact CG-O 3.43Å; P344-L409 HydrophobicContact CG-CD2 4.27Å; P344-L409 HydrophobicContact CG-CG 4.26Å |
| 345 | R | 80.7 | Confident | 91.2 | Very high | 243 Ų | 243 | 61 Ų | 61 | 92% | 0.917 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 137.6 | 175.5 | -65.4 | -175.7 | 179.5 | -174.6 | -0.1 | 109.9 | ||
| 346 | G | 78.6 | Confident | 91 | Very high | 45 Ų | 45 | 60.5 Ų | 60.5 | 46% | 0.464 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.4 | 4.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | P344 V348 P390 | P344-G346 PolarHBondContact O-N 2.9Å; G346-V348 PolarHBondContact O-N 2.89Å; G346-P390 WeakPolarHBondContact O-CD 3.43Å |
| 347 | V | 84.8 | Confident | 90.7 | Very high | 23 Ų | 23 | 62.5 Ų | 62.5 | 14% | 0.139 | 34% | 0.336 | C | S | . | . | trans | -60.8 | 124.5 | 167.2 | 174 | 0 | 0 | 0 | 0 | 109.6 | L343 P344 L363 M387 V389 | L343-V347 HydrophobicContact CB-CG2 4.04Å; L343-V347 HydrophobicContact CD1-CG1 4.28Å; L343-V347 HydrophobicContact CD1-CG2 4.33Å; P344-V347 WeakPolarHBondContact O-CG2 3.32Å; V347-L363 HydrophobicContact CG1-CD1 4.09Å; V347-L363 HydrophobicContact CG1-CD2 3.89Å; V347-M387 HydrophobicContact CG1-CB 3.96Å; V347-M387 HydrophobicContact CG1-CG 4.15Å; V347-M387 HydrophobicContact CG1-SD 4.26Å; V347-M387 HydrophobicContact CG2-SD 4.43Å; V347-V389 HydrophobicContact CG2-CG2 3.65Å | ||
| 348 | V | 82.9 | Confident | 90.4 | Very high | 97 Ų | 97 | 68.2 Ų | 68.2 | 59% | 0.588 | 36% | 0.363 | S | S | * | . | trans | -111.3 | -25.7 | -177.1 | -66.5 | 0 | 0 | 0 | 0 | 114 | G346 D388 P390 | G346-V348 PolarHBondContact O-N 2.89Å; V348-D388 HydrophobicContact CG2-CB 4.13Å; V348-D388 WeakPolarHBondContact CG2-O 3.13Å; V348-D388 PolarHBondContact N-O 2.81Å; V348-D388 VanDerWaalsContact N-O 3.1Å; V348-P390 HydrophobicContact CG1-CG 3.75Å; V348-P390 HydrophobicContact CG2-CG 3.98Å | ||
| 349 | S | 87.6 | Confident | 90.2 | Very high | 37 Ų | 37 | 62 Ų | 62 | 26% | 0.259 | 34% | 0.34 | S | S | . | . | trans | -135.9 | 152.5 | -174.6 | 66.5 | 0 | 0 | 0 | 0 | 111 | M387 D388 | S349-M387 WeakPolarHBondContact O-CA 3.3Å; S349-D388 VanDerWaalsContact OG-CB 3.28Å; S349-D388 WeakPolarHBondContact OG-CB 3.12Å; S349-D388 VanDerWaalsContact OG-CG 3.26Å; S349-D388 PolarHBondContact OG-N 2.85Å; S349-D388 PolarHBondContact OG-OD2 2.8Å | ||
| 350 | L | 91.3 | Very high | 90.1 | Very high | 48 Ų | 48 | 68.8 Ų | 68.8 | 25% | 0.251 | 37% | 0.369 | S | S | . | . | trans | -133.5 | 116 | 172.8 | 177.5 | 67.5 | 0 | 0 | 0 | 108.7 | L363 L368 F385 M387 | L350-L363 HydrophobicContact CB-CB 4.23Å; L350-L363 HydrophobicContact CD2-CB 4.24Å; L350-L368 HydrophobicContact CD1-CD1 3.99Å; L350-L368 HydrophobicContact CD2-CD1 3.71Å; L350-F385 HydrophobicContact CD1-CB 3.94Å; L350-F385 HydrophobicContact CD1-CD1 4.11Å; L350-F385 HydrophobicContact CD1-CG 4.46Å; L350-M387 HydrophobicContact CD1-CE 4.26Å; L350-M387 HydrophobicContact CD1-CG 3.87Å | ||
| 351 | S | 92.6 | Very high | 90.1 | Very high | 61 Ų | 61 | 66.2 Ų | 66.2 | 43% | 0.427 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 142.2 | 163.4 | 172.7 | 0 | 0 | 0 | 0 | 108.6 | F385 Q386 | S351-F385 CarbonylContact O-C 3.47Å; S351-F385 WeakPolarHBondContact O-CA 3.46Å; S351-Q386 PolarHBondContact N-O 2.82Å; S351-Q386 PolarHBondContact O-N 3.24Å |
| 352 | Q | 93.9 | Very high | 90.1 | Very high | 82 Ų | 82 | 70.8 Ų | 70.8 | 38% | 0.383 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 139.8 | -174.4 | 65.1 | -175.8 | -21.5 | 0 | 0 | 112.5 | L354 A361 L384 F385 | Q352-L354 HydrophobicContact CB-CD2 4.46Å; Q352-L354 HydrophobicContact CB-CG 4.47Å; Q352-L354 HydrophobicContact CG-CG 4.41Å; Q352-A361 PolarHBondContact OE1-O 3.12Å; Q352-L384 CarbonylContact C-O 3.54Å; Q352-L384 VanDerWaalsContact CA-O 3.29Å; Q352-L384 WeakPolarHBondContact CA-O 3.48Å; Q352-F385 HydrophobicContact CB-CD1 4.04Å; Q352-F385 HydrophobicContact CB-CE1 4.25Å |
| 353 | E | 95.4 | Very high | 90 | Very high | 119 Ų | 119 | 71.8 Ų | 71.8 | 56% | 0.556 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 112.7 | 166 | -53.5 | 177.2 | 175.4 | 0 | 0 | 108.3 | G383 L384 | E353-G383 CarbonylContact O-C 3.58Å; E353-G383 WeakPolarHBondContact O-CA 3.37Å; E353-L384 HydrophobicContact CB-CB 4.15Å; E353-L384 PolarHBondContact N-O 2.91Å; E353-L384 PolarHBondContact O-N 3.1Å |
| 354 | L | 95.8 | Very high | 89.9 | Confident | 50 Ų | 50 | 72 Ų | 72 | 26% | 0.262 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 144.2 | -172.3 | -58.3 | 177.1 | 0 | 0 | 0 | 110.7 | Q352 S356 Q359 F385 | Q352-L354 HydrophobicContact CB-CD2 4.46Å; Q352-L354 HydrophobicContact CB-CG 4.47Å; Q352-L354 HydrophobicContact CG-CG 4.41Å; L354-S356 VanDerWaalsContact C-N 3.27Å; L354-S356 PolarHBondContact O-N 2.84Å; L354-Q359 HydrophobicContact CB-CB 4.25Å; L354-Q359 HydrophobicContact CD1-CB 3.79Å; L354-Q359 WeakPolarHBondContact CD1-O 3.48Å; L354-Q359 HydrophobicContact CG-CB 4.43Å; L354-F385 HydrophobicContact CD2-CE1 3.87Å; L354-F385 HydrophobicContact CD2-CZ 4.06Å |
| 355 | S | 93.9 | Very high | 89.9 | Confident | 63 Ų | 63 | 79.6 Ų | 79.6 | 44% | 0.441 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -76.6 | -10.2 | -178.5 | 73.9 | 0 | 0 | 0 | 0 | 114.5 | Q359 L381 S382 | S355-Q359 PolarHBondContact OG-NE2 2.77Å; S355-L381 WeakPolarHBondContact OG-CA 3.49Å; S355-S382 VanDerWaalsContact CB-O 3.29Å; S355-S382 WeakPolarHBondContact CB-O 3.18Å; S355-S382 PolarHBondContact N-O 3.16Å; S355-S382 PolarHBondContact OG-N 3.47Å; S355-S382 PolarHBondContact OG-O 3.31Å |
| 356 | S | 92.3 | Very high | 90.1 | Very high | 34 Ų | 34 | 70.3 Ų | 70.3 | 24% | 0.238 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -148.8 | 144.3 | 177.7 | 167.3 | 0 | 0 | 0 | 0 | 110.7 | L354 E358 Q359 | L354-S356 VanDerWaalsContact C-N 3.27Å; L354-S356 PolarHBondContact O-N 2.84Å; S356-E358 VanDerWaalsContact C-N 3.27Å; S356-E358 PolarHBondContact O-N 2.86Å; S356-E358 PolarHBondContact OG-N 2.82Å; S356-Q359 WeakPolarHBondContact O-CB 3.45Å; S356-Q359 WeakPolarHBondContact O-CG 3.16Å; S356-Q359 PolarHBondContact O-N 2.94Å |
| 357 | P | 88.2 | Confident | 90.7 | Very high | 128 Ų | 128 | 68.3 Ų | 68.3 | 83% | 0.831 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -17.3 | -178.5 | 29.7 | -37.5 | 0 | 0 | 0 | 114.4 | Q359 | P357-Q359 PolarHBondContact O-N 3.46Š|
| 358 | E | 89.6 | Confident | 91.2 | Very high | 120 Ų | 120 | 67.2 Ų | 67.2 | 56% | 0.561 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -15.9 | 177.2 | -65 | -177.4 | 179.1 | 0 | 0 | 112.7 | S356 P373 | S356-E358 VanDerWaalsContact C-N 3.27Å; S356-E358 PolarHBondContact O-N 2.86Å; S356-E358 PolarHBondContact OG-N 2.82Å; E358-P373 VanDerWaalsContact O-CD 3.3Å; E358-P373 WeakPolarHBondContact O-CD 3.45Å; E358-P373 WeakPolarHBondContact O-CG 3.4Å |
| 359 | Q | 93.4 | Very high | 91.8 | Very high | 9 Ų | 9 | 65.9 Ų | 65.9 | 4% | 0.042 | 36% | 0.359 | C | S | . | . | trans | -76.8 | 145.9 | 179.4 | -51.5 | 179.7 | 17.9 | 0 | 0 | 110.1 | L354 S355 S356 P357 W370 D371 L372 | L354-Q359 HydrophobicContact CB-CB 4.25Å; L354-Q359 HydrophobicContact CD1-CB 3.79Å; L354-Q359 WeakPolarHBondContact CD1-O 3.48Å; L354-Q359 HydrophobicContact CG-CB 4.43Å; S355-Q359 PolarHBondContact OG-NE2 2.77Å; S356-Q359 WeakPolarHBondContact O-CB 3.45Å; S356-Q359 WeakPolarHBondContact O-CG 3.16Å; S356-Q359 PolarHBondContact O-N 2.94Å; P357-Q359 PolarHBondContact O-N 3.46Å; Q359-W370 VanDerWaalsContact OE1-CZ2 3.27Å; Q359-W370 VanDerWaalsContact OE1-NE1 3.1Å; Q359-D371 WeakPolarHBondContact CA-O 3.42Å; Q359-L372 HydrophobicContact CB-CD2 4.05Å; Q359-L372 HydrophobicContact CG-CD2 3.49Å; Q359-L372 VanDerWaalsContact CG-CD2 3.49Å | ||
| 360 | K | 94.4 | Very high | 92.2 | Very high | 146 Ų | 146 | 64.1 Ų | 64.1 | 64% | 0.635 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 139 | 172.4 | -63.4 | -178.7 | -178.8 | 179.6 | 0 | 108.5 | W370 D371 | K360-W370 CarbonylContact O-C 3.6Å; K360-D371 HydrophobicContact CB-CB 4.47Å; K360-D371 PolarHBondContact N-O 3.46Å; K360-D371 PolarHBondContact O-N 3.25Å |
| 361 | A | 95 | Very high | 92.5 | Very high | 14 Ų | 14 | 64.2 Ų | 64.2 | 12% | 0.116 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 145.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q352 L368 R369 W370 F385 | Q352-A361 PolarHBondContact OE1-O 3.12Å; A361-L368 HydrophobicContact CB-CD1 4Å; A361-R369 CarbonylContact C-O 3.46Å; A361-R369 WeakPolarHBondContact CA-O 3.14Å; A361-R369 WeakPolarHBondContact CB-O 3.32Å; A361-W370 HydrophobicContact CB-CB 4.27Å; A361-W370 HydrophobicContact CB-CG 4.49Å; A361-F385 HydrophobicContact CB-CD1 4.3Å; A361-F385 HydrophobicContact CB-CE1 3.49Å; A361-F385 VanDerWaalsContact CB-CE1 3.49Å; A361-F385 HydrophobicContact CB-CZ 4.24Å |
| 362 | E | 94.1 | Very high | 92.6 | Very high | 96 Ų | 96 | 61.5 Ų | 61.5 | 45% | 0.449 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 152.4 | 179.1 | 63.5 | 175.5 | -159.8 | 0 | 0 | 110.5 | R369 | E362-R369 HydrophobicContact CG-CB 3.94Å; E362-R369 PolarHBondContact N-O 2.93Å; E362-R369 PolarHBondContact O-N 2.88Å; E362-R369 IonicContact OE1-NH1 2.74Å |
| 363 | L | 91.6 | Very high | 92.6 | Very high | 61 Ų | 61 | 60.7 Ų | 60.7 | 32% | 0.319 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 113.6 | 168.3 | -179.3 | 68.5 | 0 | 0 | 0 | 107.7 | L343 V347 L350 | L343-L363 HydrophobicContact CD1-CD1 3.46Å; L343-L363 VanDerWaalsContact CD1-CD1 3.46Å; V347-L363 HydrophobicContact CG1-CD1 4.09Å; V347-L363 HydrophobicContact CG1-CD2 3.89Å; L350-L363 HydrophobicContact CB-CB 4.23Å; L350-L363 HydrophobicContact CD2-CB 4.24Å |
| 364 | A | 87.3 | Confident | 92.6 | Very high | 20 Ų | 20 | 61.5 Ų | 61.5 | 17% | 0.165 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 132.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | G366 A367 R369 | A364-G366 PolarHBondContact O-N 2.84Å; A364-G366 VanDerWaalsContact O-N 3.11Å; A364-A367 PolarHBondContact N-O 3.04Å; A364-A367 PolarHBondContact O-N 2.98Å; A364-A367 VanDerWaalsContact O-O 3.12Å; A364-R369 VanDerWaalsContact CB-CZ 3.47Å |
| 365 | E | 84 | Confident | 92.6 | Very high | 175 Ų | 175 | 59.2 Ų | 59.2 | 82% | 0.818 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 31.2 | 175.5 | -63.6 | 164 | -156.7 | 0 | 0 | 114.4 | A367 R369 | E365-A367 VanDerWaalsContact C-N 3.33Å; E365-R369 IonicContact OE1-NH2 3.33Å; E365-R369 PolarHBondContact OE1-NH2 3.02Å; E365-R369 IonicContact OE2-NH2 3.67Å; E365-R369 PolarHBondContact OE2-NH2 2.83Å |
| 366 | G | 86.1 | Confident | 92.7 | Very high | 48 Ų | 48 | 60 Ų | 60 | 50% | 0.495 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 18.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L343 A364 | L343-G366 WeakPolarHBondContact CB-O 3.36Å; L343-G366 PolarHBondContact N-O 2.96Å; A364-G366 PolarHBondContact O-N 2.84Å; A364-G366 VanDerWaalsContact O-N 3.11Å |
| 367 | A | 91.4 | Very high | 92.8 | Very high | 3 Ų | 3 | 58.7 Ų | 58.7 | 3% | 0.025 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 150.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | H340 L341 A364 E365 | H340-A367 WeakPolarHBondContact NE2-CB 3.28Å; L341-A367 CarbonylContact O-C 3.53Å; L341-A367 WeakPolarHBondContact O-CA 3.49Å; L341-A367 WeakPolarHBondContact O-CB 3.26Å; A364-A367 PolarHBondContact N-O 3.04Å; A364-A367 PolarHBondContact O-N 2.98Å; A364-A367 VanDerWaalsContact O-O 3.12Å; E365-A367 VanDerWaalsContact C-N 3.33Å |
| 368 | L | 94.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 120.6 | 167.1 | 173.9 | 66.2 | 0 | 0 | 0 | 108.5 | L322 H340 L341 L343 L350 A361 F385 M387 | L322-L368 HydrophobicContact CD1-CD2 4.24Å; H340-L368 WeakPolarHBondContact CA-O 3.42Å; L341-L368 HydrophobicContact CB-CB 4.28Å; L341-L368 HydrophobicContact CD2-CD2 4.49Å; L341-L368 PolarHBondContact N-O 2.84Å; L341-L368 PolarHBondContact O-N 2.93Å; L343-L368 HydrophobicContact CD1-CB 4.01Å; L343-L368 HydrophobicContact CD2-CB 4.23Å; L343-L368 HydrophobicContact CG-CB 4.22Å; L350-L368 HydrophobicContact CD1-CD1 3.99Å; L350-L368 HydrophobicContact CD2-CD1 3.71Å; A361-L368 HydrophobicContact CB-CD1 4Å; L368-F385 HydrophobicContact CD1-CD1 3.85Å; L368-F385 HydrophobicContact CD1-CE1 4.07Å; L368-F385 HydrophobicContact CD1-CG 4.23Å; L368-F385 HydrophobicContact CD2-CB 4.15Å; L368-F385 HydrophobicContact CD2-CD1 3.99Å; L368-F385 HydrophobicContact CD2-CD2 3.48Å; L368-F385 VanDerWaalsContact CD2-CD2 3.48Å; L368-F385 HydrophobicContact CD2-CE1 4.26Å; L368-F385 HydrophobicContact CD2-CE2 3.79Å; L368-F385 HydrophobicContact CD2-CG 3.58Å; L368-F385 HydrophobicContact CD2-CZ 4.16Å; L368-M387 HydrophobicContact CD2-CE 4.29Å |
| 369 | R | 95.6 | Very high | 93.4 | Very high | 69 Ų | 69 | 51.1 Ų | 51.1 | 26% | 0.26 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 118.3 | 170.3 | -63.4 | -178.2 | -176.1 | 163 | -0.4 | 108.5 | L339 A361 E362 A364 E365 | L339-R369 CarbonylContact O-C 3.57Å; L339-R369 WeakPolarHBondContact O-CA 3.48Å; A361-R369 CarbonylContact C-O 3.46Å; A361-R369 WeakPolarHBondContact CA-O 3.14Å; A361-R369 WeakPolarHBondContact CB-O 3.32Å; E362-R369 HydrophobicContact CG-CB 3.94Å; E362-R369 PolarHBondContact N-O 2.93Å; E362-R369 PolarHBondContact O-N 2.88Å; E362-R369 IonicContact OE1-NH1 2.74Å; A364-R369 VanDerWaalsContact CB-CZ 3.47Å; E365-R369 IonicContact OE1-NH2 3.33Å; E365-R369 PolarHBondContact OE1-NH2 3.02Å; E365-R369 IonicContact OE2-NH2 3.67Å; E365-R369 PolarHBondContact OE2-NH2 2.83Å |
| 370 | W | 96.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 107.8 | 177.8 | -179.7 | 32.6 | 0 | 0 | 0 | 109.9 | L322 L324 R338 L339 Q359 K360 A361 L372 L381 F385 | L322-W370 HydrophobicContact CB-CE3 4.36Å; L322-W370 HydrophobicContact CB-CZ3 3.91Å; L322-W370 HydrophobicContact CD1-CE3 4.36Å; L324-W370 HydrophobicContact CB-CH2 4.2Å; L324-W370 HydrophobicContact CB-CZ3 4.09Å; R338-W370 WeakPolarHBondContact CA-O 3.4Å; L339-W370 HydrophobicContact CB-CB 4.32Å; L339-W370 HydrophobicContact CB-CE3 4.3Å; L339-W370 HydrophobicContact CD1-CE3 4.21Å; L339-W370 PolarHBondContact N-O 2.99Å; L339-W370 PolarHBondContact O-N 2.87Å; Q359-W370 VanDerWaalsContact OE1-CZ2 3.27Å; Q359-W370 VanDerWaalsContact OE1-NE1 3.1Å; K360-W370 CarbonylContact O-C 3.6Å; A361-W370 HydrophobicContact CB-CB 4.27Å; A361-W370 HydrophobicContact CB-CG 4.49Å; W370-L372 HydrophobicContact CD2-CD1 4.29Å; W370-L372 HydrophobicContact CD2-CD2 4.34Å; W370-L372 HydrophobicContact CD2-CG 4.32Å; W370-L372 HydrophobicContact CE3-CD1 4.39Å; W370-L372 HydrophobicContact CH2-CD1 4.35Å; W370-L372 HydrophobicContact CZ2-CD1 4.26Å; W370-L372 HydrophobicContact CZ2-CD2 3.77Å; W370-L372 HydrophobicContact CZ2-CG 4.44Å; W370-L372 HydrophobicContact CZ3-CD1 4.42Å; W370-L381 HydrophobicContact CH2-CB 4.5Å; W370-L381 HydrophobicContact CZ2-CB 4.4Å; W370-F385 HydrophobicContact CB-CZ 4.27Å; W370-F385 AromaticContact CD2-CZ 3.98Å; W370-F385 HydrophobicContact CD2-CZ 3.98Å; W370-F385 HydrophobicContact CE3-CZ 4.45Å; W370-F385 AromaticContact CG-CZ 3.9Å; W370-F385 HydrophobicContact CG-CZ 3.9Å |
| 371 | D | 96.5 | Very high | 93.6 | Very high | 51 Ų | 51 | 49 Ų | 49 | 27% | 0.273 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 129.1 | -177.7 | -68.2 | -26.8 | 0 | 0 | 0 | 111.2 | R338 Q359 K360 | R338-D371 WeakPolarHBondContact CD-OD1 3.41Å; R338-D371 WeakPolarHBondContact CG-OD1 3.48Å; Q359-D371 WeakPolarHBondContact CA-O 3.42Å; K360-D371 HydrophobicContact CB-CB 4.47Å; K360-D371 PolarHBondContact N-O 3.46Å; K360-D371 PolarHBondContact O-N 3.25Å |
| 372 | L | 95.8 | Very high | 93.7 | Very high | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 87.1 | -176.7 | -63.6 | 172.5 | 0 | 0 | 0 | 107.5 | L324 V337 Q359 W370 R374 V375 L381 | L324-L372 HydrophobicContact CD2-CD1 3.45Å; L324-L372 VanDerWaalsContact CD2-CD1 3.45Å; V337-L372 HydrophobicContact CB-CB 3.89Å; V337-L372 WeakPolarHBondContact CB-O 3.43Å; V337-L372 HydrophobicContact CG1-CB 4.29Å; V337-L372 HydrophobicContact CG1-CD1 4.11Å; V337-L372 PolarHBondContact N-O 3.45Å; V337-L372 CarbonylContact O-C 3.59Å; V337-L372 WeakPolarHBondContact O-CA 3.43Å; V337-L372 WeakPolarHBondContact O-CB 3.37Å; V337-L372 PolarHBondContact O-N 2.95Å; Q359-L372 HydrophobicContact CB-CD2 4.05Å; Q359-L372 HydrophobicContact CG-CD2 3.49Å; Q359-L372 VanDerWaalsContact CG-CD2 3.49Å; W370-L372 HydrophobicContact CD2-CD1 4.29Å; W370-L372 HydrophobicContact CD2-CD2 4.34Å; W370-L372 HydrophobicContact CD2-CG 4.32Å; W370-L372 HydrophobicContact CE3-CD1 4.39Å; W370-L372 HydrophobicContact CH2-CD1 4.35Å; W370-L372 HydrophobicContact CZ2-CD1 4.26Å; W370-L372 HydrophobicContact CZ2-CD2 3.77Å; W370-L372 HydrophobicContact CZ2-CG 4.44Å; W370-L372 HydrophobicContact CZ3-CD1 4.42Å; L372-R374 PolarHBondContact O-N 3.2Å; L372-R374 VanDerWaalsContact O-N 3.11Å; L372-V375 HydrophobicContact CB-CG2 3.89Å; L372-V375 HydrophobicContact CD1-CG2 4.32Å; L372-L381 HydrophobicContact CD2-CD1 3.76Å |
| 373 | P | 93.9 | Very high | 93.8 | Very high | 65 Ų | 65 | 45.1 Ų | 45.1 | 42% | 0.422 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | -35.1 | -172.2 | -27.6 | 35.1 | 0 | 0 | 0 | 113.7 | N336 E358 | N336-P373 PolarHBondContact N-O 3.03Å; E358-P373 VanDerWaalsContact O-CD 3.3Å; E358-P373 WeakPolarHBondContact O-CD 3.45Å; E358-P373 WeakPolarHBondContact O-CG 3.4Å |
| 374 | R | 94.2 | Very high | 94 | Very high | 137 Ų | 137 | 43.3 Ų | 43.3 | 52% | 0.517 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 137.1 | 177.6 | -179 | 178.5 | -75.2 | -176.1 | -5.3 | 110.7 | Q333 A334 L335 L372 | Q333-R374 VanDerWaalsContact OE1-CZ 3.25Å; A334-R374 WeakPolarHBondContact O-CA 3.4Å; L335-R374 HydrophobicContact CD2-CB 4.48Å; L335-R374 HydrophobicContact CD2-CG 4.31Å; L372-R374 PolarHBondContact O-N 3.2Å; L372-R374 VanDerWaalsContact O-N 3.11Å |
| 375 | V | 95.7 | Very high | 94.4 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.012 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 119.7 | 172.9 | -169.2 | 0 | 0 | 0 | 0 | 109.5 | F303 C326 Q333 A334 V337 L372 L381 | F303-V375 HydrophobicContact CE1-CB 4.43Å; F303-V375 HydrophobicContact CE1-CG1 4.31Å; C326-V375 HydrophobicContact CB-CG1 3.64Å; Q333-V375 WeakPolarHBondContact CA-O 3.36Å; A334-V375 PolarHBondContact N-O 2.87Å; A334-V375 PolarHBondContact O-N 3.36Å; V337-V375 HydrophobicContact CB-CG2 4.15Å; V337-V375 HydrophobicContact CG2-CG2 3.89Å; L372-V375 HydrophobicContact CB-CG2 3.89Å; L372-V375 HydrophobicContact CD1-CG2 4.32Å; V375-L381 HydrophobicContact CG1-CD1 4.15Å; V375-L381 HydrophobicContact CG2-CD1 3.92Å |
| 376 | Q | 95.7 | Very high | 94.8 | Very high | 80 Ų | 80 | 37.4 Ų | 37.4 | 37% | 0.374 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 143.6 | 179.6 | -169.7 | 64.2 | 23.7 | 0 | 0 | 110.8 | C326 S330 S332 S379 | C326-Q376 WeakPolarHBondContact CB-O 3.08Å; S330-Q376 PolarHBondContact O-NE2 3.36Å; S332-Q376 PolarHBondContact O-NE2 2.89Å; Q376-S379 PolarHBondContact N-OG 3.15Å; Q376-S379 VanDerWaalsContact O-CB 3.3Å; Q376-S379 WeakPolarHBondContact O-CB 3.24Å; Q376-S379 PolarHBondContact O-N 3.25Å; Q376-S379 VanDerWaalsContact O-N 3.15Å; Q376-S379 PolarHBondContact O-OG 2.83Å |
| 377 | G | 95.2 | Very high | 95.1 | Very high | 5 Ų | 5 | 35.1 Ų | 35.1 | 5% | 0.052 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 137.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L328 S330 S332 S379 | L328-G377 CarbonylContact O-C 3.57Å; L328-G377 WeakPolarHBondContact O-CA 3.37Å; S330-G377 WeakPolarHBondContact CA-O 3.41Å; S332-G377 PolarHBondContact O-N 3.19Å; G377-S379 PolarHBondContact O-N 2.69Å |
| 378 | G | 94.2 | Very high | 94.9 | Very high | 56 Ų | 56 | 38.1 Ų | 38.1 | 58% | 0.577 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | -5.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | C326 L328 | C326-G378 VanDerWaalsContact O-CA 3.24Å; C326-G378 WeakPolarHBondContact O-CA 3.19Å; C326-G378 PolarHBondContact O-N 2.99Å; L328-G378 PolarHBondContact O-N 2.89Å; L328-G378 VanDerWaalsContact O-N 3.15Å |
| 379 | S | 95.7 | Very high | 94.4 | Very high | 34 Ų | 34 | 38.4 Ų | 38.4 | 24% | 0.238 | 21% | 0.205 | C | C | . | . | trans | -84.3 | 164.5 | 177.4 | 75.8 | 0 | 0 | 0 | 0 | 112.7 | C326 Q376 G377 | C326-S379 PolarHBondContact N-O 2.79Å; Q376-S379 PolarHBondContact N-OG 3.15Å; Q376-S379 VanDerWaalsContact O-CB 3.3Å; Q376-S379 WeakPolarHBondContact O-CB 3.24Å; Q376-S379 PolarHBondContact O-N 3.25Å; Q376-S379 VanDerWaalsContact O-N 3.15Å; Q376-S379 PolarHBondContact O-OG 2.83Å; G377-S379 PolarHBondContact O-N 2.69Å | ||
| 380 | Q | 95.6 | Very high | 93.3 | Very high | 84 Ų | 84 | 39.2 Ų | 39.2 | 39% | 0.393 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 132.5 | 175.2 | -63.2 | 177.2 | 2.3 | 0 | 0 | 108.9 | L324 R325 | L324-Q380 WeakPolarHBondContact O-CA 3.24Å; R325-Q380 HydrophobicContact CB-CG 3.95Å; R325-Q380 HydrophobicContact CG-CG 3.86Å |
| 381 | L | 96.8 | Very high | 91.7 | Very high | 26 Ų | 26 | 42 Ų | 42 | 14% | 0.136 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 146 | 174.8 | -60.8 | -179.8 | 0 | 0 | 0 | 108.7 | K323 L324 S355 W370 L372 V375 | K323-L381 CarbonylContact C-O 3.53Å; K323-L381 WeakPolarHBondContact CA-O 3.43Å; L324-L381 PolarHBondContact N-O 2.82Å; L324-L381 PolarHBondContact O-N 2.97Å; S355-L381 WeakPolarHBondContact OG-CA 3.49Å; W370-L381 HydrophobicContact CH2-CB 4.5Å; W370-L381 HydrophobicContact CZ2-CB 4.4Å; L372-L381 HydrophobicContact CD2-CD1 3.76Å; V375-L381 HydrophobicContact CG1-CD1 4.15Å; V375-L381 HydrophobicContact CG2-CD1 3.92Å |
| 382 | S | 97 | Very high | 89.5 | Confident | 28 Ų | 28 | 44.6 Ų | 44.6 | 20% | 0.196 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 147.5 | 178.4 | 61 | 0 | 0 | 0 | 0 | 112.1 | Y321 L322 S355 | Y321-S382 VanDerWaalsContact OH-CB 3.25Å; Y321-S382 WeakPolarHBondContact OH-CB 3.45Å; Y321-S382 PolarHBondContact OH-OG 2.81Å; L322-S382 CarbonylContact O-C 3.48Å; L322-S382 WeakPolarHBondContact O-CA 3.33Å; L322-S382 WeakPolarHBondContact O-CB 3.45Å; S355-S382 VanDerWaalsContact CB-O 3.29Å; S355-S382 WeakPolarHBondContact CB-O 3.18Å; S355-S382 PolarHBondContact N-O 3.16Å; S355-S382 PolarHBondContact OG-N 3.47Å; S355-S382 PolarHBondContact OG-O 3.31Å |
| 383 | G | 96.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 133.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | L322 E353 F385 | L322-G383 PolarHBondContact N-O 3.12Å; L322-G383 PolarHBondContact O-N 2.81Å; E353-G383 CarbonylContact O-C 3.58Å; E353-G383 WeakPolarHBondContact O-CA 3.37Å; G383-F385 WeakPolarHBondContact O-CE2 3.36Å |
| 384 | L | 96.5 | Very high | 84.8 | Confident | 24 Ų | 24 | 49.5 Ų | 49.5 | 13% | 0.126 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 123.7 | 165.9 | -179.9 | 64.4 | 0 | 0 | 0 | 108.5 | Q319 Y321 Q352 E353 | Q319-L384 HydrophobicContact CG-CD1 3.57Å; Y321-L384 HydrophobicContact CD2-CB 4.23Å; Y321-L384 HydrophobicContact CD2-CD1 4.22Å; Q352-L384 CarbonylContact C-O 3.54Å; Q352-L384 VanDerWaalsContact CA-O 3.29Å; Q352-L384 WeakPolarHBondContact CA-O 3.48Å; E353-L384 HydrophobicContact CB-CB 4.15Å; E353-L384 PolarHBondContact N-O 2.91Å; E353-L384 PolarHBondContact O-N 3.1Å |
| 385 | F | 94.9 | Very high | 82.3 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 116.5 | -178.2 | -52.5 | -74.6 | 0 | 0 | 0 | 109.2 | Q319 V320 L322 L350 S351 Q352 L354 A361 L368 W370 G383 M387 | Q319-F385 WeakPolarHBondContact CA-O 3.41Å; V320-F385 HydrophobicContact CB-CB 4.42Å; V320-F385 PolarHBondContact N-O 3.34Å; V320-F385 WeakPolarHBondContact O-CD2 3.44Å; V320-F385 PolarHBondContact O-N 3.02Å; L322-F385 HydrophobicContact CB-CE2 4.15Å; L322-F385 HydrophobicContact CD1-CD2 4.27Å; L322-F385 HydrophobicContact CD1-CE2 3.88Å; L322-F385 HydrophobicContact CG-CD2 4.26Å; L322-F385 HydrophobicContact CG-CE2 4.05Å; L350-F385 HydrophobicContact CD1-CB 3.94Å; L350-F385 HydrophobicContact CD1-CD1 4.11Å; L350-F385 HydrophobicContact CD1-CG 4.46Å; S351-F385 CarbonylContact O-C 3.47Å; S351-F385 WeakPolarHBondContact O-CA 3.46Å; Q352-F385 HydrophobicContact CB-CD1 4.04Å; Q352-F385 HydrophobicContact CB-CE1 4.25Å; L354-F385 HydrophobicContact CD2-CE1 3.87Å; L354-F385 HydrophobicContact CD2-CZ 4.06Å; A361-F385 HydrophobicContact CB-CD1 4.3Å; A361-F385 HydrophobicContact CB-CE1 3.49Å; A361-F385 VanDerWaalsContact CB-CE1 3.49Å; A361-F385 HydrophobicContact CB-CZ 4.24Å; L368-F385 HydrophobicContact CD1-CD1 3.85Å; L368-F385 HydrophobicContact CD1-CE1 4.07Å; L368-F385 HydrophobicContact CD1-CG 4.23Å; L368-F385 HydrophobicContact CD2-CB 4.15Å; L368-F385 HydrophobicContact CD2-CD1 3.99Å; L368-F385 HydrophobicContact CD2-CD2 3.48Å; L368-F385 VanDerWaalsContact CD2-CD2 3.48Å; L368-F385 HydrophobicContact CD2-CE1 4.26Å; L368-F385 HydrophobicContact CD2-CE2 3.79Å; L368-F385 HydrophobicContact CD2-CG 3.58Å; L368-F385 HydrophobicContact CD2-CZ 4.16Å; W370-F385 HydrophobicContact CB-CZ 4.27Å; W370-F385 AromaticContact CD2-CZ 3.98Å; W370-F385 HydrophobicContact CD2-CZ 3.98Å; W370-F385 HydrophobicContact CE3-CZ 4.45Å; W370-F385 AromaticContact CG-CZ 3.9Å; W370-F385 HydrophobicContact CG-CZ 3.9Å; G383-F385 WeakPolarHBondContact O-CE2 3.36Å; F385-M387 HydrophobicContact CB-CE 3.55Å |
| 386 | Q | 93.1 | Very high | 79.7 | Confident | 70 Ų | 70 | 54.2 Ų | 54.2 | 33% | 0.327 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 127.1 | 176.6 | -68.6 | 175.8 | -17.9 | 0 | 0 | 108.6 | L318 Q319 S351 | L318-Q386 WeakPolarHBondContact O-CA 3.41Å; Q319-Q386 HydrophobicContact CG-CG 4.3Å; S351-Q386 PolarHBondContact N-O 2.82Å; S351-Q386 PolarHBondContact O-N 3.24Å |
| 387 | M | 91.6 | Very high | 77.3 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 137.3 | -173.5 | -61.2 | 165.4 | -134.1 | 0 | 0 | 109.2 | R317 L318 V320 L343 V347 S349 L350 L368 F385 | R317-M387 WeakPolarHBondContact CA-O 3.36Å; L318-M387 HydrophobicContact CB-CB 4.25Å; L318-M387 HydrophobicContact CD2-SD 3.88Å; L318-M387 HydrophobicContact CG-SD 4.45Å; L318-M387 PolarHBondContact N-O 2.97Å; L318-M387 PolarHBondContact O-N 2.93Å; V320-M387 HydrophobicContact CB-CE 4.02Å; V320-M387 HydrophobicContact CG2-CE 3.75Å; L343-M387 HydrophobicContact CD1-CE 4.35Å; L343-M387 HydrophobicContact CD1-SD 3.51Å; L343-M387 VanDerWaalsContact CD1-SD 3.51Å; L343-M387 HydrophobicContact CD2-CE 3.83Å; L343-M387 HydrophobicContact CD2-SD 3.61Å; L343-M387 HydrophobicContact CG-SD 4.16Å; V347-M387 HydrophobicContact CG1-CB 3.96Å; V347-M387 HydrophobicContact CG1-CG 4.15Å; V347-M387 HydrophobicContact CG1-SD 4.26Å; V347-M387 HydrophobicContact CG2-SD 4.43Å; S349-M387 WeakPolarHBondContact O-CA 3.3Å; L350-M387 HydrophobicContact CD1-CE 4.26Å; L350-M387 HydrophobicContact CD1-CG 3.87Å; L368-M387 HydrophobicContact CD2-CE 4.29Å; F385-M387 HydrophobicContact CB-CE 3.55Å |
| 388 | D | 87.8 | Confident | 74.6 | Confident | 66 Ų | 66 | 64 Ų | 64 | 35% | 0.353 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 131.4 | 170.6 | -56.7 | -54.8 | 0 | 0 | 0 | 109.6 | R317 V348 S349 | R317-D388 IonicContact NE-OD1 3.85Å; V348-D388 HydrophobicContact CG2-CB 4.13Å; V348-D388 WeakPolarHBondContact CG2-O 3.13Å; V348-D388 PolarHBondContact N-O 2.81Å; V348-D388 VanDerWaalsContact N-O 3.1Å; S349-D388 VanDerWaalsContact OG-CB 3.28Å; S349-D388 WeakPolarHBondContact OG-CB 3.12Å; S349-D388 VanDerWaalsContact OG-CG 3.26Å; S349-D388 PolarHBondContact OG-N 2.85Å; S349-D388 PolarHBondContact OG-OD2 2.8Å |
| 389 | V | 84.1 | Confident | 71.7 | Confident | 6 Ų | 6 | 64.2 Ų | 64.2 | 4% | 0.036 | 42% | 0.417 | C | S | . | . | trans | -122.8 | 90.8 | 176 | -168.7 | 0 | 0 | 0 | 0 | 109.3 | W311 G316 L318 V347 G391 | W311-V389 HydrophobicContact CH2-CB 3.36Å; W311-V389 HydrophobicContact CH2-CG1 3.64Å; W311-V389 HydrophobicContact CH2-CG2 3.49Å; W311-V389 VanDerWaalsContact CH2-CG2 3.49Å; W311-V389 HydrophobicContact CZ2-CB 4.08Å; W311-V389 HydrophobicContact CZ2-CG1 4.43Å; W311-V389 HydrophobicContact CZ3-CB 4.1Å; W311-V389 HydrophobicContact CZ3-CG2 3.68Å; G316-V389 PolarHBondContact O-N 2.82Å; L318-V389 HydrophobicContact CB-CG2 4.26Å; V347-V389 HydrophobicContact CG2-CG2 3.65Å; V389-G391 PolarHBondContact O-N 3.03Å; V389-G391 VanDerWaalsContact O-N 3.16Å | ||
| 390 | P | 71.8 | Confident | 69 | Low | 86 Ų | 86 | 71.8 Ų | 71.8 | 56% | 0.558 | 45% | 0.454 | S | S | * | . | trans | -66.9 | 111.1 | 176.5 | 23.8 | -33.6 | 0 | 0 | 0 | 111.5 | G346 V348 | G346-P390 WeakPolarHBondContact O-CD 3.43Å; V348-P390 HydrophobicContact CG1-CG 3.75Å; V348-P390 HydrophobicContact CG2-CG 3.98Å | ||
| 391 | G | 62.4 | Low | 66.1 | Low | 59 Ų | 59 | 73 Ų | 73 | 61% | 0.608 | 47% | 0.472 | S | S | * | . | trans | 92.7 | 132.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | V389 | V389-G391 PolarHBondContact O-N 3.03Å; V389-G391 VanDerWaalsContact O-N 3.16Å | ||
| 392 | S | 50.8 | Low | 63.5 | Low | 105 Ų | 105 | 78.5 Ų | 78.5 | 73% | 0.734 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -84.6 | 134.1 | 167.8 | 65.6 | 0 | 0 | 0 | 0 | 110.3 | G394 | S392-G394 PolarHBondContact O-N 2.74Š|
| 393 | P | 48 | Very low | 60.8 | Low | 124 Ų | 124 | 82.8 Ų | 82.8 | 81% | 0.805 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -71.3 | 116.3 | 138.8 | 19.8 | -6.5 | 0 | 0 | 0 | 105.9 | ||
| 394 | G | 43.7 | Very low | 58.1 | Low | 47 Ų | 47 | 87.1 Ų | 87.1 | 49% | 0.485 | 57% | 0.573 | S | S | . | * | P | Polyproline II helix | trans | -55.6 | 169 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S392 | S392-G394 PolarHBondContact O-N 2.74Š|
| 395 | P | 42 | Very low | 55.9 | Low | 117 Ų | 117 | 89.1 Ų | 89.1 | 76% | 0.76 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 141 | 171.8 | 28.8 | -32.1 | 0 | 0 | 0 | 108.2 | S397 | P395-S397 PolarHBondContact O-N 2.99Š|
| 396 | P | 39.8 | Very low | 53.8 | Low | 121 Ų | 121 | 95.2 Ų | 95.2 | 79% | 0.786 | 63% | 0.627 | S | S | * | * | trans | -63.8 | 97.7 | 159.1 | 26.6 | -28.7 | 0 | 0 | 0 | 106.5 | H398 | P396-H398 PolarHBondContact O-N 3.02Š| ||
| 397 | S | 46.2 | Very low | 52.4 | Low | 101 Ų | 101 | 95 Ų | 95 | 71% | 0.706 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -58.3 | 122.6 | 157 | 51.9 | 0 | 0 | 0 | 0 | 107.1 | P395 | P395-S397 PolarHBondContact O-N 2.99Š|
| 398 | H | 38.3 | Very low | 51.2 | Low | 188 Ų | 188 | 97.1 Ų | 97.1 | 87% | 0.87 | 65% | 0.649 | S | S | * | * | S | Bend | trans | 80.3 | 97.4 | 179.5 | -65.4 | -84.8 | 0 | 0 | 0 | 116.9 | P396 | P396-H398 PolarHBondContact O-N 3.02Š|
| 399 | G | 32.4 | Very low | 50.8 | Low | 62 Ų | 62 | 94.6 Ų | 94.6 | 64% | 0.639 | 64% | 0.636 | S | S | * | * | trans | 160 | 106.2 | 160 | 0 | 0 | 0 | 0 | 0 | 110.4 | S401 | G399-S401 PolarHBondContact O-N 2.82Š| ||
| 400 | L | 40.7 | Very low | 50.8 | Low | 192 Ų | 192 | 95.1 Ų | 95.1 | 100% | 1.005 | 64% | 0.642 | S | S | * | * | trans | -61.1 | 104 | 171.9 | -76.2 | 95 | 0 | 0 | 0 | 109.6 | ||||
| 401 | S | 34 | Very low | 51.8 | Low | 110 Ų | 110 | 93.8 Ų | 93.8 | 77% | 0.769 | 63% | 0.634 | S | S | * | * | trans | -147.2 | 101.1 | 159.9 | 59.1 | 0 | 0 | 0 | 0 | 109.6 | G399 S403 | G399-S401 PolarHBondContact O-N 2.82Å; S401-S403 PolarHBondContact O-N 2.82Å | ||
| 402 | T | 42.1 | Very low | 53.3 | Low | 141 Ų | 141 | 91 Ų | 91 | 87% | 0.865 | 61% | 0.605 | S | S | * | * | trans | -61.1 | 119.7 | 169.1 | 40.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 403 | S | 40.7 | Very low | 55.5 | Low | 119 Ų | 119 | 88.1 Ų | 88.1 | 83% | 0.832 | 59% | 0.585 | S | S | * | * | trans | 151 | 12.7 | 141.8 | 76 | 0 | 0 | 0 | 0 | 117 | S401 | S401-S403 PolarHBondContact O-N 2.82Š| ||
| 404 | A | 40.1 | Very low | 57.8 | Low | 91 Ų | 91 | 82.6 Ų | 82.6 | 75% | 0.752 | 55% | 0.548 | S | S | * | . | trans | -86.7 | 132.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 405 | P | 48.7 | Very low | 60.3 | Low | 66 Ų | 66 | 82 Ų | 82 | 43% | 0.429 | 54% | 0.537 | S | S | . | . | trans | -62.3 | 142 | 175.2 | 23.1 | -29.6 | 0 | 0 | 0 | 110.5 | L407 G408 L409 | P405-L407 PolarHBondContact O-N 2.91Å; P405-G408 PolarHBondContact O-N 2.89Å; P405-L409 WeakPolarHBondContact CG-O 3.46Å | ||
| 406 | P | 52.3 | Low | 62.9 | Low | 128 Ų | 128 | 76.7 Ų | 76.7 | 83% | 0.831 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -7.8 | -166.1 | 22.7 | -33.1 | 0 | 0 | 0 | 115.7 | ||
| 407 | L | 62.4 | Low | 65.6 | Low | 66 Ų | 66 | 75 Ų | 75 | 35% | 0.346 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.7 | -4.4 | 179.6 | -74.7 | 152.8 | 0 | 0 | 0 | 113.4 | V309 W311 P344 P405 L409 | V309-L407 HydrophobicContact CG1-CD1 3.89Å; W311-L407 HydrophobicContact CB-CD2 3.59Å; W311-L407 HydrophobicContact CD2-CD2 3.98Å; W311-L407 HydrophobicContact CE3-CD2 3.97Å; W311-L407 HydrophobicContact CG-CD2 3.81Å; P344-L407 WeakPolarHBondContact CG-O 3.43Å; P405-L407 PolarHBondContact O-N 2.91Å; L407-L409 HydrophobicContact CB-CD1 4.3Å; L407-L409 HydrophobicContact CB-CG 4.4Å; L407-L409 PolarHBondContact O-N 3.11Å |
| 408 | G | 66.1 | Low | 67.9 | Low | 45 Ų | 45 | 70.3 Ų | 70.3 | 46% | 0.464 | 45% | 0.45 | S | S | . | . | trans | 70.9 | 9.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115 | P405 | P405-G408 PolarHBondContact O-N 2.89Š| ||
| 409 | L | 80.2 | Confident | 70.5 | Confident | 13 Ų | 13 | 62.8 Ų | 62.8 | 7% | 0.068 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 129.5 | 170.3 | -73.8 | 166.2 | 0 | 0 | 0 | 110 | V309 L318 L343 P344 P405 L407 | V309-L409 HydrophobicContact CB-CD1 4.35Å; V309-L409 HydrophobicContact CG1-CD1 3.58Å; V309-L409 HydrophobicContact CG2-CD1 3.9Å; L318-L409 HydrophobicContact CD2-CD2 4.5Å; L343-L409 HydrophobicContact CD2-CD2 3.86Å; P344-L409 HydrophobicContact CG-CD2 4.27Å; P344-L409 HydrophobicContact CG-CG 4.26Å; P405-L409 WeakPolarHBondContact CG-O 3.46Å; L407-L409 HydrophobicContact CB-CD1 4.3Å; L407-L409 HydrophobicContact CB-CG 4.4Å; L407-L409 PolarHBondContact O-N 3.11Å |
| 410 | G | 84.6 | Confident | 73.3 | Confident | 17 Ų | 17 | 68.2 Ų | 68.2 | 18% | 0.175 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 171.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L341 P342 | L341-G410 WeakPolarHBondContact CD1-O 3.44Å; P342-G410 PolarHBondContact O-N 2.67Å; P342-G410 VanDerWaalsContact O-N 3.14Å |
| 411 | P | 92.4 | Very high | 75.7 | Confident | 58 Ų | 58 | 60.6 Ų | 60.6 | 38% | 0.377 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 147.4 | 170.5 | 31.4 | -35.5 | 0 | 0 | 0 | 110.5 | P342 V457 I458 R459 | P342-P411 WeakPolarHBondContact CD-O 3.41Å; P411-V457 HydrophobicContact CB-CG1 3.61Å; P411-V457 HydrophobicContact CG-CG1 3.94Å; P411-I458 CarbonylContact C-O 3.33Å; P411-I458 WeakPolarHBondContact CA-O 3.15Å; P411-I458 WeakPolarHBondContact CB-O 3.3Å; P411-R459 HydrophobicContact CB-CG 4.41Å |
| 412 | A | 94.8 | Very high | 78.5 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.008 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 136.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | L305 L339 H340 L341 V457 I458 I460 | L305-A412 HydrophobicContact CD2-CB 3.83Å; L339-A412 HydrophobicContact CD2-CB 4.43Å; L339-A412 HydrophobicContact CG-CB 4.41Å; H340-A412 CarbonylContact O-C 3.5Å; H340-A412 WeakPolarHBondContact O-CA 3.49Å; L341-A412 HydrophobicContact CD1-CB 4.33Å; A412-V457 CarbonylContact O-C 3.58Å; A412-V457 WeakPolarHBondContact O-CA 3.32Å; A412-I458 PolarHBondContact N-O 3.04Å; A412-I458 PolarHBondContact O-N 3.48Å; A412-I460 HydrophobicContact CB-CD1 3.82Å; A412-I460 HydrophobicContact CB-CG1 4.26Å |
| 413 | S | 95.9 | Very high | 80.8 | Confident | 44 Ų | 44 | 49.3 Ų | 49.3 | 31% | 0.308 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 136 | 172.9 | -52.4 | 0 | 0 | 0 | 0 | 109.6 | L339 H340 Y456 | L339-S413 CarbonylContact C-O 3.52Å; L339-S413 WeakPolarHBondContact CA-O 3.49Å; H340-S413 PolarHBondContact N-O 3.03Å; H340-S413 PolarHBondContact O-N 3.2Å; S413-Y456 CarbonylContact C-O 3.54Å; S413-Y456 WeakPolarHBondContact CA-O 3.46Å |
| 414 | L | 96.6 | Very high | 83.1 | Confident | 8 Ų | 8 | 43.6 Ų | 43.6 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 129.9 | 179.1 | -162.6 | 73.4 | 0 | 0 | 0 | 109.8 | F303 L324 V337 R338 L339 F416 Y456 | F303-L414 HydrophobicContact CB-CD2 3.75Å; F303-L414 HydrophobicContact CD1-CD2 4.4Å; F303-L414 HydrophobicContact CD2-CD2 3.46Å; F303-L414 VanDerWaalsContact CD2-CD2 3.46Å; F303-L414 HydrophobicContact CE2-CD2 4.14Å; F303-L414 HydrophobicContact CG-CD2 3.61Å; L324-L414 HydrophobicContact CD1-CD1 4.46Å; L324-L414 HydrophobicContact CD1-CD2 4.35Å; L324-L414 HydrophobicContact CD2-CD1 4.32Å; V337-L414 HydrophobicContact CG1-CD1 3.84Å; V337-L414 HydrophobicContact CG1-CG 4.3Å; R338-L414 CarbonylContact O-C 3.51Å; R338-L414 WeakPolarHBondContact O-CA 3.45Å; L339-L414 HydrophobicContact CB-CD1 3.86Å; L339-L414 HydrophobicContact CD1-CD1 4.41Å; L339-L414 HydrophobicContact CG-CD1 4.43Å; L414-F416 HydrophobicContact CB-CD1 4.45Å; L414-F416 HydrophobicContact CD2-CD1 3.67Å; L414-F416 HydrophobicContact CD2-CE1 3.89Å; L414-F416 HydrophobicContact CG-CD1 3.86Å; L414-F416 HydrophobicContact CG-CE1 4.36Å; L414-Y456 HydrophobicContact CB-CD1 3.74Å; L414-Y456 HydrophobicContact CB-CG 4.25Å; L414-Y456 HydrophobicContact CD2-CD1 4.11Å; L414-Y456 HydrophobicContact CD2-CE1 4.29Å; L414-Y456 PolarHBondContact N-O 3.21Å; L414-Y456 WeakPolarHBondContact O-CB 3.29Å |
| 415 | S | 96.8 | Very high | 85.4 | Confident | 35 Ų | 35 | 40.7 Ų | 40.7 | 25% | 0.245 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 136.5 | 168.5 | 75.6 | 0 | 0 | 0 | 0 | 110.2 | V337 R338 S453 | V337-S415 CarbonylContact C-O 3.53Å; V337-S415 VanDerWaalsContact CA-O 3.26Å; V337-S415 WeakPolarHBondContact CA-O 3.49Å; R338-S415 WeakPolarHBondContact CB-OG 3.39Å; R338-S415 PolarHBondContact N-O 3.4Å; R338-S415 PolarHBondContact NE-OG 3.49Å; R338-S415 VanDerWaalsContact NE-OG 3.13Å; R338-S415 PolarHBondContact O-N 3.11Å; S415-S453 WeakPolarHBondContact CA-OG 3.39Å |
| 416 | F | 96.4 | Very high | 87.4 | Confident | 5 Ų | 5 | 37.5 Ų | 37.5 | 2% | 0.022 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 163.2 | -179 | 57.4 | -98.7 | 0 | 0 | 0 | 113.3 | L202 P302 F303 V337 L414 L418 H452 S453 Y456 | L202-F416 HydrophobicContact CD2-CZ 4.15Å; P302-F416 HydrophobicContact CG-CE1 4.44Å; P302-F416 HydrophobicContact CG-CE2 3.97Å; P302-F416 HydrophobicContact CG-CZ 3.63Å; F303-F416 AromaticContact CD2-CD1 3.81Å; F303-F416 HydrophobicContact CD2-CD1 3.81Å; F303-F416 AromaticContact CD2-CE1 3.82Å; F303-F416 HydrophobicContact CD2-CE1 3.82Å; F303-F416 HydrophobicContact CD2-CG 4.22Å; F303-F416 HydrophobicContact CD2-CZ 4.24Å; F303-F416 HydrophobicContact CE2-CB 4.03Å; F303-F416 AromaticContact CE2-CD1 3.69Å; F303-F416 HydrophobicContact CE2-CD1 3.69Å; F303-F416 HydrophobicContact CE2-CD2 4.02Å; F303-F416 HydrophobicContact CE2-CE1 4.09Å; F303-F416 HydrophobicContact CE2-CE2 4.41Å; F303-F416 AromaticContact CE2-CG 3.64Å; F303-F416 HydrophobicContact CE2-CG 3.64Å; F303-F416 HydrophobicContact CE2-CZ 4.43Å; V337-F416 HydrophobicContact CB-CB 4.34Å; V337-F416 HydrophobicContact CG1-CB 4.42Å; V337-F416 HydrophobicContact CG2-CB 3.83Å; L414-F416 HydrophobicContact CB-CD1 4.45Å; L414-F416 HydrophobicContact CD2-CD1 3.67Å; L414-F416 HydrophobicContact CD2-CE1 3.89Å; L414-F416 HydrophobicContact CG-CD1 3.86Å; L414-F416 HydrophobicContact CG-CE1 4.36Å; F416-L418 HydrophobicContact CD2-CD1 4.13Å; F416-L418 HydrophobicContact CD2-CD2 3.65Å; F416-L418 HydrophobicContact CD2-CG 3.63Å; F416-L418 HydrophobicContact CE2-CD1 3.71Å; F416-L418 HydrophobicContact CE2-CD2 4.09Å; F416-L418 HydrophobicContact CE2-CG 3.73Å; F416-H452 WeakPolarHBondContact O-CA 3.3Å; F416-S453 PolarHBondContact N-OG 3.32Å; F416-S453 PolarHBondContact O-N 3.45Å; F416-S453 PolarHBondContact O-OG 3.36Å; F416-Y456 AromaticContact CE1-CD2 3.71Å; F416-Y456 HydrophobicContact CE1-CD2 3.71Å; F416-Y456 HydrophobicContact CE1-CE2 4.29Å; F416-Y456 AromaticContact CE1-CG 3.85Å; F416-Y456 HydrophobicContact CE1-CG 3.85Å; F416-Y456 AromaticContact CZ-CD2 3.89Å; F416-Y456 HydrophobicContact CZ-CD2 3.89Å; F416-Y456 HydrophobicContact CZ-CE2 4.33Å; F416-Y456 HydrophobicContact CZ-CG 4.47Å |
| 417 | E | 95.8 | Very high | 89.3 | Confident | 86 Ų | 86 | 37.1 Ų | 37.1 | 40% | 0.402 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 130.9 | 173.4 | -65.1 | 175.2 | 169.6 | 0 | 0 | 111 | L335 N336 P419 | L335-E417 PolarHBondContact N-O 2.8Å; L335-E417 PolarHBondContact O-N 3.1Å; N336-E417 PolarHBondContact ND2-OE2 2.92Å; E417-P419 VanDerWaalsContact O-CD 3.32Å; E417-P419 WeakPolarHBondContact O-CD 3.49Å |
| 418 | L | 95.1 | Very high | 90.8 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 87.7 | -179.2 | -50.4 | -174.9 | 0 | 0 | 0 | 109.9 | P302 F303 L328 A334 F416 H421 S451 | P302-L418 HydrophobicContact CB-CD1 3.76Å; P302-L418 HydrophobicContact CG-CD1 4.08Å; F303-L418 HydrophobicContact CE2-CD2 4.4Å; L328-L418 HydrophobicContact CD1-CD2 3.69Å; L328-L418 HydrophobicContact CD2-CD1 4.24Å; A334-L418 HydrophobicContact CB-CD2 3.54Å; F416-L418 HydrophobicContact CD2-CD1 4.13Å; F416-L418 HydrophobicContact CD2-CD2 3.65Å; F416-L418 HydrophobicContact CD2-CG 3.63Å; F416-L418 HydrophobicContact CE2-CD1 3.71Å; F416-L418 HydrophobicContact CE2-CD2 4.09Å; F416-L418 HydrophobicContact CE2-CG 3.73Å; L418-H421 HydrophobicContact CB-CB 4.03Å; L418-S451 WeakPolarHBondContact CA-O 3.41Å; L418-S451 WeakPolarHBondContact CB-O 3.46Å; L418-S451 PolarHBondContact N-O 2.84Å; L418-S451 PolarHBondContact O-N 3.39Å; L418-S451 VanDerWaalsContact O-N 3.12Å |
| 419 | P | 93.3 | Very high | 92.1 | Very high | 30 Ų | 30 | 38.6 Ų | 38.6 | 20% | 0.195 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 142.6 | 177.4 | 29.5 | -35.6 | 0 | 0 | 0 | 111.4 | L335 E417 H421 | L335-P419 HydrophobicContact CD1-CG 3.92Å; L335-P419 HydrophobicContact CG-CG 4.22Å; E417-P419 VanDerWaalsContact O-CD 3.32Å; E417-P419 WeakPolarHBondContact O-CD 3.49Å; P419-H421 PolarHBondContact O-N 3.22Å |
| 420 | R | 90.8 | Very high | 92.7 | Very high | 176 Ų | 176 | 40.1 Ų | 40.1 | 66% | 0.664 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 32 | 179.8 | -53 | -178.1 | -64 | -90.6 | -0.4 | 113.4 | H449 | R420-H449 WeakPolarHBondContact CA-O 3.49Å; R420-H449 PolarHBondContact N-O 2.8Å |
| 421 | H | 91 | Very high | 93.1 | Very high | 32 Ų | 32 | 40.1 Ų | 40.1 | 15% | 0.148 | 20% | 0.201 | C | C | . | . | trans | -134.9 | 148 | 178.3 | -169.3 | 65.5 | 0 | 0 | 0 | 109.8 | L418 P419 S451 | L418-H421 HydrophobicContact CB-CB 4.03Å; P419-H421 PolarHBondContact O-N 3.22Å; H421-S451 PolarHBondContact O-N 2.86Å; H421-S451 PolarHBondContact O-OG 2.9Å; H421-S451 VanDerWaalsContact O-OG 3.07Å | ||
| 422 | T | 92 | Very high | 93 | Very high | 13 Ų | 13 | 44.8 Ų | 44.8 | 8% | 0.08 | 21% | 0.211 | C | C | . | . | trans | -130.5 | 130.3 | 167.2 | 47 | 0 | 0 | 0 | 0 | 107.7 | V198 E200 G425 L426 H449 S451 | V198-T422 HydrophobicContact CG1-CG2 3.91Å; E200-T422 VanDerWaalsContact OE2-CA 3.29Å; E200-T422 WeakPolarHBondContact OE2-CA 2.78Å; E200-T422 WeakPolarHBondContact OE2-CB 3.49Å; T422-G425 PolarHBondContact O-N 3.46Å; T422-L426 WeakPolarHBondContact CG2-O 3.46Å; T422-L426 PolarHBondContact OG1-O 2.71Å; T422-H449 HydrophobicContact CG2-CB 4.04Å; T422-S451 WeakPolarHBondContact CA-OG 3.29Å | ||
| 423 | C | 89.9 | Confident | 92.6 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.007 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -73.3 | -31.7 | 176.1 | -64.4 | 0 | 0 | 0 | 0 | 111.5 | E200 V217 L297 S299 G425 | E200-C423 PolarHBondContact OE2-N 3.42Å; V217-C423 HydrophobicContact CG2-CB 4.23Å; L297-C423 HydrophobicContact CD2-CB 4.28Å; S299-C423 PolarHBondContact OG-O 2.62Å; C423-G425 PolarHBondContact O-N 3.15Å |
| 424 | S | 90 | Very high | 91.5 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -72.8 | -16.1 | 173.9 | 72.9 | 0 | 0 | 0 | 0 | 113.5 | E200 I255 P298 L426 | E200-S424 WeakPolarHBondContact OE1-CB 3.42Å; E200-S424 PolarHBondContact OE1-OG 3.23Å; E200-S424 PolarHBondContact OE2-N 3.12Å; I255-S424 WeakPolarHBondContact CG1-O 3.44Å; I255-S424 WeakPolarHBondContact CG2-O 3.39Å; P298-S424 WeakPolarHBondContact CG-O 3.19Å; S424-L426 PolarHBondContact O-N 3.3Å; S424-L426 VanDerWaalsContact OG-CB 3.27Å; S424-L426 WeakPolarHBondContact OG-CB 3.28Å; S424-L426 PolarHBondContact OG-N 2.77Å |
| 425 | G | 88.6 | Confident | 90 | Very high | 29 Ų | 29 | 52.8 Ų | 52.8 | 30% | 0.299 | 25% | 0.254 | S | S | . | . | trans | 78.3 | 2.1 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | I255 T422 C423 Q427 | I255-G425 VanDerWaalsContact CD1-C 3.43Å; I255-G425 WeakPolarHBondContact CD1-O 3.33Å; T422-G425 PolarHBondContact O-N 3.46Å; C423-G425 PolarHBondContact O-N 3.15Å; G425-Q427 PolarHBondContact O-N 3.4Å | ||
| 426 | L | 90.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -59.3 | 130.7 | 175.9 | -175.4 | 66.9 | 0 | 0 | 0 | 111 | V198 I221 L237 F241 I255 M289 Y291 T422 S424 | V198-L426 HydrophobicContact CG1-CD2 4.23Å; I221-L426 HydrophobicContact CD1-CD2 4.16Å; I221-L426 HydrophobicContact CG1-CD2 4.45Å; L237-L426 HydrophobicContact CB-CD1 4.3Å; F241-L426 HydrophobicContact CD2-CD1 3.73Å; F241-L426 HydrophobicContact CE2-CD1 4.07Å; I255-L426 VanDerWaalsContact CD1-CA 3.5Å; I255-L426 HydrophobicContact CD1-CB 4.29Å; I255-L426 HydrophobicContact CD1-CD1 4.37Å; M289-L426 HydrophobicContact CE-CD2 4.31Å; Y291-L426 HydrophobicContact CD1-CD2 4.18Å; Y291-L426 HydrophobicContact CE1-CD2 3.38Å; Y291-L426 HydrophobicContact CE2-CD2 4.28Å; Y291-L426 VanDerWaalsContact CZ-CD2 3.43Å; Y291-L426 WeakPolarHBondContact OH-CD2 3.39Å; T422-L426 WeakPolarHBondContact CG2-O 3.46Å; T422-L426 PolarHBondContact OG1-O 2.71Å; S424-L426 PolarHBondContact O-N 3.3Å; S424-L426 VanDerWaalsContact OG-CB 3.27Å; S424-L426 WeakPolarHBondContact OG-CB 3.28Å; S424-L426 PolarHBondContact OG-N 2.77Å | ||
| 427 | Q | 91.9 | Very high | 86 | Confident | 119 Ų | 119 | 59.9 Ų | 59.9 | 56% | 0.556 | 28% | 0.277 | S | S | * | . | trans | -133 | 143.7 | 176.8 | -66.4 | -178.6 | 9.3 | 0 | 0 | 110.3 | T238 G425 | T238-Q427 PolarHBondContact N-O 2.84Å; T238-Q427 VanDerWaalsContact N-O 3.12Å; T238-Q427 PolarHBondContact OG1-N 2.91Å; T238-Q427 PolarHBondContact OG1-O 2.8Å; G425-Q427 PolarHBondContact O-N 3.4Å | ||
| 428 | V | 94.2 | Very high | 83.6 | Confident | 20 Ų | 20 | 62.3 Ų | 62.3 | 12% | 0.121 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 109.9 | 168.6 | -179.9 | 0 | 0 | 0 | 0 | 108.3 | L196 V198 I235 G236 L237 V447 | L196-V428 HydrophobicContact CD2-CB 4.31Å; L196-V428 HydrophobicContact CD2-CG1 3.81Å; L196-V428 HydrophobicContact CD2-CG2 3.73Å; V198-V428 HydrophobicContact CG2-CG2 3.75Å; I235-V428 HydrophobicContact CG2-CG1 3.99Å; G236-V428 CarbonylContact O-C 3.58Å; L237-V428 HydrophobicContact CD2-CG2 4.46Å; V428-V447 HydrophobicContact CB-CG1 4.03Å; V428-V447 HydrophobicContact CG2-CG1 4.2Å |
| 429 | R | 93.2 | Very high | 81.6 | Confident | 123 Ų | 123 | 64.8 Ų | 64.8 | 46% | 0.464 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | -41.4 | 179.5 | -65 | 169.5 | 65.6 | -160.4 | 9.5 | 111.8 | G236 L237 E239 | G236-R429 PolarHBondContact O-N 3.5Å; L237-R429 WeakPolarHBondContact O-CD 3.12Å; E239-R429 VanDerWaalsContact CD-NH1 3.29Å; E239-R429 VanDerWaalsContact CG-CZ 3.49Å; E239-R429 IonicContact OE1-CZ 3.14Å; E239-R429 IonicContact OE1-NH1 3.85Å; E239-R429 PolarHBondContact OE1-NH1 3.5Å; E239-R429 IonicContact OE1-NH2 3.03Å; E239-R429 PolarHBondContact OE1-NH2 2.78Å |
| 430 | F | 93.3 | Very high | 79.4 | Confident | 45 Ų | 45 | 71.6 Ų | 71.6 | 20% | 0.197 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 153.9 | 177.8 | 62.2 | -99.1 | 0 | 0 | 0 | 112.5 | R234 G236 I276 R432 | R234-F430 HydrophobicContact CB-CE2 4.48Å; G236-F430 PolarHBondContact N-O 2.87Å; I276-F430 HydrophobicContact CD1-CZ 3.89Å; I276-F430 HydrophobicContact CG1-CZ 3.97Å; F430-R432 HydrophobicContact CD2-CB 4.26Å; F430-R432 HydrophobicContact CD2-CG 3.67Å; F430-R432 HydrophobicContact CE2-CG 4.19Å; F430-R432 HydrophobicContact CG-CG 4.47Å |
| 431 | L | 92.4 | Very high | 78 | Confident | 16 Ų | 16 | 66.4 Ų | 66.4 | 8% | 0.084 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 111.6 | 167.2 | -174 | 62.4 | 0 | 0 | 0 | 108.8 | V194 L196 M233 I235 K445 | V194-L431 HydrophobicContact CB-CD2 4.4Å; V194-L431 HydrophobicContact CG1-CD2 3.96Å; L196-L431 HydrophobicContact CD2-CD1 4.49Å; M233-L431 HydrophobicContact CE-CD1 4.38Å; M233-L431 HydrophobicContact CG-CD1 3.73Å; M233-L431 HydrophobicContact SD-CD1 3.54Å; M233-L431 VanDerWaalsContact SD-CD1 3.54Å; M233-L431 HydrophobicContact SD-CG 4.38Å; I235-L431 HydrophobicContact CG1-CD1 3.73Å; L431-K445 HydrophobicContact CB-CD 4.28Å; L431-K445 HydrophobicContact CD2-CB 4.09Å; L431-K445 HydrophobicContact CD2-CD 4.36Å; L431-K445 HydrophobicContact CD2-CG 4.1Å; L431-K445 HydrophobicContact CG-CD 4.3Å; L431-K445 WeakPolarHBondContact O-CD 3.42Å; L431-K445 WeakPolarHBondContact O-CE 3.26Å; L431-K445 PolarHBondContact O-NZ 2.57Å |
| 432 | R | 90.3 | Very high | 76.9 | Confident | 156 Ų | 156 | 70.3 Ų | 70.3 | 59% | 0.589 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 141.2 | -179.5 | -73.5 | 177.3 | -176.4 | -179.7 | 2.2 | 110.2 | M233 R234 F430 | M233-R432 CarbonylContact C-O 3.59Å; M233-R432 WeakPolarHBondContact CA-O 3.41Å; M233-R432 WeakPolarHBondContact CG-O 3.4Å; R234-R432 HydrophobicContact CB-CB 4.34Å; R234-R432 PolarHBondContact N-O 2.69Å; R234-R432 PolarHBondContact O-N 2.78Å; F430-R432 HydrophobicContact CD2-CB 4.26Å; F430-R432 HydrophobicContact CD2-CG 3.67Å; F430-R432 HydrophobicContact CE2-CG 4.19Å; F430-R432 HydrophobicContact CG-CG 4.47Å |
| 433 | L | 86.7 | Confident | 76.2 | Confident | 30 Ų | 30 | 70.4 Ų | 70.4 | 16% | 0.157 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 123.1 | 173.8 | -68.3 | 163.2 | 0 | 0 | 0 | 105.5 | V194 L227 E232 M233 F435 P443 | V194-L433 HydrophobicContact CG2-CD1 4.38Å; L227-L433 HydrophobicContact CD1-CD1 3.79Å; L227-L433 HydrophobicContact CD1-CD2 3.61Å; L227-L433 HydrophobicContact CD1-CG 4.36Å; E232-L433 WeakPolarHBondContact O-CA 3.12Å; M233-L433 HydrophobicContact CB-CD2 3.78Å; M233-L433 HydrophobicContact CG-CD2 3.67Å; M233-L433 HydrophobicContact SD-CD2 4.11Å; L433-F435 VanDerWaalsContact C-N 3.34Å; L433-P443 HydrophobicContact CD1-CB 3.99Å; L433-P443 HydrophobicContact CD1-CG 3.23Å |
| 434 | A | 71.8 | Confident | 76 | Confident | 67 Ų | 67 | 75.5 Ų | 75.5 | 55% | 0.554 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -73.8 | -31.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | E232 | E232-A434 HydrophobicContact CB-CB 3.99Å; E232-A434 HydrophobicContact CG-CB 4.09Å; E232-A434 PolarHBondContact O-N 3.17Å |
| 435 | F | 65.3 | Low | 76 | Confident | 124 Ų | 124 | 79.8 Ų | 79.8 | 54% | 0.544 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -101.1 | 133.1 | -178.8 | -163.2 | -105.7 | 0 | 0 | 0 | 111.5 | L433 | L433-F435 VanDerWaalsContact C-N 3.34Š|
| 436 | R | 57.3 | Low | 76.1 | Confident | 175 Ų | 175 | 80.9 Ų | 80.9 | 66% | 0.66 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -86.3 | 117.5 | 162.1 | -66 | -173.3 | -168.2 | -169.4 | 4 | 106.5 | ||
| 437 | P | 52.5 | Low | 76.2 | Confident | 15 Ų | 15 | 83.9 Ų | 83.9 | 10% | 0.097 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -50.9 | 148.6 | 171.6 | -21.4 | 31.5 | 0 | 0 | 0 | 109.7 | G439 | P437-G439 PolarHBondContact O-N 3.19Š|
| 438 | C | 45.6 | Very low | 76.3 | Confident | 137 Ų | 137 | 83.7 Ų | 83.7 | 93% | 0.926 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -52.3 | 102 | 173.5 | -84.9 | 0 | 0 | 0 | 0 | 110.1 | ||
| 439 | G | 53.1 | Low | 76.2 | Confident | 53 Ų | 53 | 84.5 Ų | 84.5 | 55% | 0.546 | 43% | 0.433 | S | S | . | . | S | Bend | trans | 142.8 | 133.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | P437 A441 | P437-G439 PolarHBondContact O-N 3.19Å; G439-A441 PolarHBondContact O-N 2.96Å |
| 440 | N | 46.9 | Very low | 76.3 | Confident | 172 Ų | 172 | 80.6 Ų | 80.6 | 92% | 0.92 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -67.4 | 6.1 | -172.1 | -99.9 | -9.3 | 0 | 0 | 0 | 116 | ||
| 441 | A | 61 | Low | 76.4 | Confident | 68 Ų | 68 | 78.5 Ų | 78.5 | 56% | 0.562 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -100.5 | 123 | -175 | 0 | 0 | 0 | 0 | 0 | 111.6 | G439 | G439-A441 PolarHBondContact O-N 2.96Š|
| 442 | N | 68.7 | Low | 76.5 | Confident | 114 Ų | 114 | 79.1 Ų | 79.1 | 61% | 0.61 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 132.9 | 169.1 | -76.1 | -36 | 0 | 0 | 0 | 109.3 | ||
| 443 | P | 77.6 | Confident | 76.7 | Confident | 15 Ų | 15 | 72.5 Ų | 72.5 | 10% | 0.097 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 142.3 | 175.4 | 24.7 | -34.7 | 0 | 0 | 0 | 111.4 | N192 L227 L433 | N192-P443 HydrophobicContact CB-CB 3.84Å; N192-P443 CarbonylContact O-C 3.53Å; N192-P443 WeakPolarHBondContact O-CA 3.43Å; N192-P443 VanDerWaalsContact O-CB 3.24Å; N192-P443 WeakPolarHBondContact O-CB 3.33Å; L227-P443 HydrophobicContact CD2-CB 3.74Å; L227-P443 HydrophobicContact CD2-CG 4.46Å; L433-P443 HydrophobicContact CD1-CB 3.99Å; L433-P443 HydrophobicContact CD1-CG 3.23Å |
| 444 | H | 85.4 | Confident | 77 | Confident | 107 Ų | 107 | 75.4 Ų | 75.4 | 50% | 0.495 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 139.3 | 174.4 | -66.6 | -78.5 | 0 | 0 | 0 | 110.4 | N192 E193 V194 W446 | N192-H444 PolarHBondContact O-N 3.32Å; E193-H444 CarbonylContact C-O 3.6Å; E193-H444 WeakPolarHBondContact CA-O 3.35Å; E193-H444 HydrophobicContact CG-CB 4.11Å; V194-H444 PolarHBondContact N-O 3.09Å; H444-W446 HydrophobicContact CB-CZ2 4.49Å |
| 445 | K | 89.1 | Confident | 78 | Confident | 91 Ų | 91 | 74.4 Ų | 74.4 | 40% | 0.396 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 125.7 | -175.1 | -64.1 | 172.2 | -170.8 | 175.3 | 0 | 108.8 | L431 | L431-K445 HydrophobicContact CB-CD 4.28Å; L431-K445 HydrophobicContact CD2-CB 4.09Å; L431-K445 HydrophobicContact CD2-CD 4.36Å; L431-K445 HydrophobicContact CD2-CG 4.1Å; L431-K445 HydrophobicContact CG-CD 4.3Å; L431-K445 WeakPolarHBondContact O-CD 3.42Å; L431-K445 WeakPolarHBondContact O-CE 3.26Å; L431-K445 PolarHBondContact O-NZ 2.57Å |
| 446 | W | 91.1 | Very high | 79.5 | Confident | 52 Ų | 52 | 68.6 Ų | 68.6 | 20% | 0.197 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 128.8 | -179.1 | -55.1 | 100.8 | 0 | 0 | 0 | 108.6 | A172 V194 F195 L196 H444 | A172-W446 HydrophobicContact CB-CD2 3.66Å; A172-W446 HydrophobicContact CB-CE3 3.8Å; A172-W446 HydrophobicContact CB-CG 4.27Å; A172-W446 HydrophobicContact CB-CH2 3.95Å; A172-W446 HydrophobicContact CB-CZ2 3.8Å; A172-W446 HydrophobicContact CB-CZ3 3.95Å; A172-W446 VanDerWaalsContact N-CH2 3.35Å; V194-W446 PolarHBondContact O-N 2.86Å; F195-W446 HydrophobicContact CD1-CB 3.55Å; F195-W446 AromaticContact CD1-CD1 3.62Å; F195-W446 AromaticContact CD1-CG 3.74Å; F195-W446 HydrophobicContact CD1-CG 3.74Å; F195-W446 HydrophobicContact CE1-CB 3.91Å; F195-W446 AromaticContact CE1-CD1 3.2Å; F195-W446 HydrophobicContact CE1-CD2 4.34Å; F195-W446 AromaticContact CE1-CG 3.55Å; F195-W446 HydrophobicContact CE1-CG 3.55Å; F195-W446 AromaticContact CE1-NE1 3.8Å; F195-W446 HydrophobicContact CG-CB 4.28Å; F195-W446 AromaticContact CZ-CD1 3.47Å; F195-W446 VanDerWaalsContact CZ-CD1 3.47Å; F195-W446 HydrophobicContact CZ-CG 4.26Å; F195-W446 AromaticContact CZ-NE1 3.8Å; L196-W446 PolarHBondContact N-O 2.82Å; H444-W446 HydrophobicContact CB-CZ2 4.49Å |
| 447 | V | 92.9 | Very high | 81.3 | Confident | 63 Ų | 63 | 61.9 Ų | 61.9 | 38% | 0.382 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 127.5 | 173.7 | -175.6 | 0 | 0 | 0 | 0 | 108.1 | L196 V428 | L196-V447 HydrophobicContact CB-CG2 4.35Å; L196-V447 HydrophobicContact CD2-CG2 4.43Å; L196-V447 CarbonylContact O-C 3.59Å; L196-V447 VanDerWaalsContact O-CA 3.28Å; L196-V447 WeakPolarHBondContact O-CA 3.44Å; V428-V447 HydrophobicContact CB-CG1 4.03Å; V428-V447 HydrophobicContact CG2-CG1 4.2Å |
| 448 | R | 93.1 | Very high | 83.4 | Confident | 114 Ų | 114 | 61.4 Ų | 61.4 | 43% | 0.43 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 138.7 | 176.8 | 169.8 | 175.4 | 67.4 | 163.1 | 3.5 | 109.1 | L196 D197 V198 | L196-R448 PolarHBondContact O-N 2.79Å; D197-R448 CarbonylContact C-O 3.59Å; D197-R448 WeakPolarHBondContact CA-O 3.35Å; D197-R448 VanDerWaalsContact CG-NH2 3.26Å; D197-R448 WeakPolarHBondContact OD1-CB 3.37Å; D197-R448 IonicContact OD1-CZ 3.12Å; D197-R448 IonicContact OD1-NE 3.42Å; D197-R448 PolarHBondContact OD1-NE 3.5Å; D197-R448 IonicContact OD1-NH2 3.28Å; D197-R448 PolarHBondContact OD1-NH2 3.32Å; D197-R448 IonicContact OD2-CZ 3.62Å; D197-R448 IonicContact OD2-NE 3.52Å; D197-R448 IonicContact OD2-NH2 3.88Å; D197-R448 PolarHBondContact OD2-NH2 2.81Å; V198-R448 PolarHBondContact N-O 3.23Å |
| 449 | H | 94.1 | Very high | 85.6 | Confident | 38 Ų | 38 | 60.9 Ų | 60.9 | 18% | 0.176 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 132 | 172.7 | -59.2 | 83.6 | 0 | 0 | 0 | 107.6 | V198 R420 T422 | V198-H449 WeakPolarHBondContact O-CA 3.5Å; R420-H449 WeakPolarHBondContact CA-O 3.49Å; R420-H449 PolarHBondContact N-O 2.8Å; T422-H449 HydrophobicContact CG2-CB 4.04Å |
| 450 | L | 94.5 | Very high | 87.2 | Confident | 40 Ų | 40 | 61.6 Ų | 61.6 | 21% | 0.209 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 125.4 | -178.7 | 177.8 | 65.9 | 0 | 0 | 0 | 109.1 | V198 V199 E200 | V198-L450 PolarHBondContact O-N 2.85Å; V199-L450 CarbonylContact C-O 3.57Å; V199-L450 VanDerWaalsContact CA-O 3.28Å; V199-L450 WeakPolarHBondContact CA-O 3.39Å; E200-L450 PolarHBondContact N-O 3.03Å |
| 451 | S | 95.1 | Very high | 89.2 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.007 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 139.4 | 165.2 | -51.1 | 0 | 0 | 0 | 0 | 109.6 | E200 L418 H421 T422 | E200-S451 CarbonylContact O-C 3.56Å; E200-S451 VanDerWaalsContact O-CA 3.3Å; E200-S451 WeakPolarHBondContact O-CA 3.49Å; E200-S451 PolarHBondContact OE2-OG 2.94Å; L418-S451 WeakPolarHBondContact CA-O 3.41Å; L418-S451 WeakPolarHBondContact CB-O 3.46Å; L418-S451 PolarHBondContact N-O 2.84Å; L418-S451 PolarHBondContact O-N 3.39Å; L418-S451 VanDerWaalsContact O-N 3.12Å; H421-S451 PolarHBondContact O-N 2.86Å; H421-S451 PolarHBondContact O-OG 2.9Å; H421-S451 VanDerWaalsContact O-OG 3.07Å; T422-S451 WeakPolarHBondContact CA-OG 3.29Å |
| 452 | H | 94.8 | Very high | 90.7 | Very high | 30 Ų | 30 | 55.4 Ų | 55.4 | 14% | 0.139 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 155.1 | 171.2 | 60.5 | -91 | 0 | 0 | 0 | 110.5 | E200 R201 L202 F416 | E200-H452 PolarHBondContact O-N 3.33Å; E200-H452 PolarHBondContact O-ND1 2.9Å; R201-H452 WeakPolarHBondContact CA-O 3.48Å; R201-H452 WeakPolarHBondContact CD-NE2 3.36Å; R201-H452 VanDerWaalsContact CG-NE2 3.31Å; R201-H452 WeakPolarHBondContact CG-NE2 3.48Å; R201-H452 PolarHBondContact NE-NE2 3.41Å; R201-H452 PolarHBondContact NH1-NE2 2.95Å; R201-H452 VanDerWaalsContact NH1-NE2 3.17Å; L202-H452 PolarHBondContact N-O 2.86Å; F416-H452 WeakPolarHBondContact O-CA 3.3Å |
| 453 | S | 94.8 | Very high | 91.9 | Very high | 17 Ų | 17 | 52.2 Ų | 52.2 | 12% | 0.119 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 133.8 | 170.6 | 56 | 0 | 0 | 0 | 0 | 110.6 | S415 F416 | S415-S453 WeakPolarHBondContact CA-OG 3.39Å; F416-S453 PolarHBondContact N-OG 3.32Å; F416-S453 PolarHBondContact O-N 3.45Å; F416-S453 PolarHBondContact O-OG 3.36Å |
| 454 | D | 92.3 | Very high | 92.7 | Very high | 90 Ų | 90 | 54.4 Ų | 54.4 | 48% | 0.481 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | -60.7 | 166.3 | -157.3 | 46.3 | 0 | 0 | 0 | 109.3 | R201 L202 | R201-D454 HydrophobicContact CB-CB 4.14Å; R201-D454 IonicContact NH1-OD1 2.67Å; L202-D454 PolarHBondContact O-N 3.35Å |
| 455 | A | 93.3 | Very high | 93.2 | Very high | 47 Ų | 47 | 51.1 Ų | 51.1 | 39% | 0.388 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 94.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | L202 S203 V204 | L202-A455 PolarHBondContact O-N 3.36Å; S203-A455 CarbonylContact C-O 3.58Å; S203-A455 WeakPolarHBondContact CA-O 3.38Å; V204-A455 PolarHBondContact N-O 3Å; V204-A455 VanDerWaalsContact O-O 3.09Å |
| 456 | Y | 96.1 | Very high | 93.4 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 96.8 | 177.1 | -162.1 | -77.4 | 0 | 0 | 0 | 110.1 | L202 V204 I206 P302 F303 S413 L414 F416 I458 | L202-Y456 HydrophobicContact CD2-CD2 3.99Å; L202-Y456 HydrophobicContact CD2-CE2 3.96Å; L202-Y456 HydrophobicContact CG-CD2 4.49Å; V204-Y456 HydrophobicContact CB-CD2 3.65Å; V204-Y456 HydrophobicContact CB-CE2 3.75Å; V204-Y456 HydrophobicContact CB-CG 4.27Å; V204-Y456 HydrophobicContact CG1-CD2 4.08Å; V204-Y456 HydrophobicContact CG1-CE2 3.74Å; V204-Y456 HydrophobicContact CG2-CD2 4.01Å; V204-Y456 HydrophobicContact CG2-CE2 3.9Å; I206-Y456 HydrophobicContact CD1-CE1 3.99Å; I206-Y456 WeakPolarHBondContact CD1-OH 3.44Å; P302-Y456 HydrophobicContact CG-CE2 4.34Å; F303-Y456 PolarHBondContact O-OH 2.81Å; S413-Y456 CarbonylContact C-O 3.54Å; S413-Y456 WeakPolarHBondContact CA-O 3.46Å; L414-Y456 HydrophobicContact CB-CD1 3.74Å; L414-Y456 HydrophobicContact CB-CG 4.25Å; L414-Y456 HydrophobicContact CD2-CD1 4.11Å; L414-Y456 HydrophobicContact CD2-CE1 4.29Å; L414-Y456 PolarHBondContact N-O 3.21Å; L414-Y456 WeakPolarHBondContact O-CB 3.29Å; F416-Y456 AromaticContact CE1-CD2 3.71Å; F416-Y456 HydrophobicContact CE1-CD2 3.71Å; F416-Y456 HydrophobicContact CE1-CE2 4.29Å; F416-Y456 AromaticContact CE1-CG 3.85Å; F416-Y456 HydrophobicContact CE1-CG 3.85Å; F416-Y456 AromaticContact CZ-CD2 3.89Å; F416-Y456 HydrophobicContact CZ-CD2 3.89Å; F416-Y456 HydrophobicContact CZ-CE2 4.33Å; F416-Y456 HydrophobicContact CZ-CG 4.47Å; Y456-I458 HydrophobicContact CD1-CD1 4.11Å; Y456-I458 HydrophobicContact CD1-CG1 4.38Å; Y456-I458 HydrophobicContact CE1-CD1 3.74Å; Y456-I458 HydrophobicContact CE1-CG1 4.04Å |
| 457 | V | 96.2 | Very high | 93.6 | Very high | 33 Ų | 33 | 48.1 Ų | 48.1 | 20% | 0.2 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 128.1 | -169 | -176.3 | 0 | 0 | 0 | 0 | 110.9 | V204 L205 I206 P411 A412 | V204-V457 PolarHBondContact O-N 3.37Å; L205-V457 CarbonylContact C-O 3.56Å; L205-V457 WeakPolarHBondContact CA-O 3.4Å; L205-V457 HydrophobicContact CD1-CB 3.97Å; L205-V457 HydrophobicContact CD1-CG1 3.93Å; I206-V457 PolarHBondContact N-O 3.35Å; P411-V457 HydrophobicContact CB-CG1 3.61Å; P411-V457 HydrophobicContact CG-CG1 3.94Å; A412-V457 CarbonylContact O-C 3.58Å; A412-V457 WeakPolarHBondContact O-CA 3.32Å |
| 458 | I | 95.1 | Very high | 93.7 | Very high | 6 Ų | 6 | 47 Ų | 47 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 117.8 | 177.2 | -61.1 | 146.6 | 0 | 0 | 0 | 108.2 | I206 L305 P411 A412 Y456 | I206-I458 HydrophobicContact CB-CB 4.48Å; I206-I458 HydrophobicContact CB-CG1 4.09Å; I206-I458 HydrophobicContact CB-CG2 4.43Å; I206-I458 HydrophobicContact CD1-CG1 3.86Å; I206-I458 HydrophobicContact CG1-CG1 4.45Å; I206-I458 HydrophobicContact CG2-CG2 4.39Å; L305-I458 HydrophobicContact CB-CD1 3.57Å; L305-I458 HydrophobicContact CB-CG2 4.29Å; L305-I458 HydrophobicContact CD2-CB 4.42Å; L305-I458 HydrophobicContact CD2-CD1 4.07Å; L305-I458 HydrophobicContact CD2-CG2 4.23Å; L305-I458 HydrophobicContact CG-CD1 4.48Å; P411-I458 CarbonylContact C-O 3.33Å; P411-I458 WeakPolarHBondContact CA-O 3.15Å; P411-I458 WeakPolarHBondContact CB-O 3.3Å; A412-I458 PolarHBondContact N-O 3.04Å; A412-I458 PolarHBondContact O-N 3.48Å; Y456-I458 HydrophobicContact CD1-CD1 4.11Å; Y456-I458 HydrophobicContact CD1-CG1 4.38Å; Y456-I458 HydrophobicContact CE1-CD1 3.74Å; Y456-I458 HydrophobicContact CE1-CG1 4.04Å |
| 459 | R | 92.3 | Very high | 93.7 | Very high | 126 Ų | 126 | 41.4 Ų | 41.4 | 48% | 0.475 | 22% | 0.215 | S | C | . | . | trans | -69.5 | 136 | 172.1 | -65.4 | 179.9 | 177.5 | 170.3 | -0.1 | 109 | I206 S208 P411 | I206-R459 PolarHBondContact O-N 3.45Å; S208-R459 VanDerWaalsContact CA-O 3.28Å; S208-R459 WeakPolarHBondContact CA-O 3.25Å; P411-R459 HydrophobicContact CB-CG 4.41Å | ||
| 460 | I | 86 | Confident | 93.7 | Very high | 67 Ų | 67 | 41.7 Ų | 41.7 | 34% | 0.344 | 22% | 0.218 | S | C | . | . | trans | -105.7 | 0 | 178.6 | -60.5 | -166.8 | 0 | 0 | 0 | 109.7 | L305 P307 V309 L322 L341 A412 | L305-I460 HydrophobicContact CD2-CD1 4.29Å; P307-I460 HydrophobicContact CB-CD1 4Å; P307-I460 HydrophobicContact CB-CG1 4.22Å; P307-I460 HydrophobicContact CB-CG2 3.8Å; P307-I460 HydrophobicContact CG-CB 4.42Å; P307-I460 HydrophobicContact CG-CD1 4.46Å; P307-I460 HydrophobicContact CG-CG1 4.15Å; P307-I460 HydrophobicContact CG-CG2 3.96Å; V309-I460 HydrophobicContact CG2-CG2 3.83Å; L322-I460 HydrophobicContact CD2-CD1 4.35Å; L341-I460 HydrophobicContact CD1-CD1 3.6Å; L341-I460 HydrophobicContact CD2-CD1 4.12Å; L341-I460 HydrophobicContact CG-CD1 4.49Å; A412-I460 HydrophobicContact CB-CD1 3.82Å; A412-I460 HydrophobicContact CB-CG1 4.26Å |
Retrieved 460 of 460 residues in 1091.8 ms
(Link to these results)