| 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 | 38.4 | Very low | 77.1 | Confident | 238 Ų | 238 | 83.6 Ų | 83.6 | 100% | 1.172 | 44% | 0.436 | S | S | * | . | 0 | 122.1 | 0 | -86.4 | -169.6 | -83.5 | 0 | 0 | 106.9 | |||||
| 2 | A | 48.9 | Very low | 78.3 | Confident | 58 Ų | 58 | 76.8 Ų | 76.8 | 48% | 0.479 | 40% | 0.402 | S | S | . | . | trans | -57.8 | 139.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q4 F87 | A2-Q4 PolarHBondContact O-N 3.29Å; A2-F87 HydrophobicContact CB-CD2 4.39Å | ||
| 3 | A | 57.9 | Low | 79.3 | Confident | 32 Ų | 32 | 80.6 Ų | 80.6 | 26% | 0.264 | 42% | 0.416 | S | S | . | . | trans | -58.6 | 122.1 | 177 | 0 | 0 | 0 | 0 | 0 | 108.8 | H5 F8 Q83 | A3-H5 PolarHBondContact O-N 2.89Å; A3-F8 HydrophobicContact CB-CE2 4.07Å; A3-F8 WeakPolarHBondContact O-CD2 3.29Å; A3-Q83 HydrophobicContact CB-CB 3.99Å; A3-Q83 HydrophobicContact CB-CG 4.03Å | ||
| 4 | Q | 65.3 | Low | 80 | Confident | 189 Ų | 189 | 83.4 Ų | 83.4 | 88% | 0.883 | 43% | 0.432 | S | S | * | . | trans | -88.2 | 85.7 | 178.4 | -72.9 | -171 | -6.3 | 0 | 0 | 109 | A2 | A2-Q4 PolarHBondContact O-N 3.29Š| ||
| 5 | H | 87.8 | Confident | 80.8 | Confident | 31 Ų | 31 | 82.7 Ų | 82.7 | 14% | 0.144 | 44% | 0.435 | C | S | . | . | trans | -100.5 | 137.9 | 167.6 | -159.8 | -82.5 | 0 | 0 | 0 | 109.4 | A3 E7 F8 D26 F80 | A3-H5 PolarHBondContact O-N 2.89Å; H5-E7 VanDerWaalsContact C-N 3.28Å; H5-E7 PolarHBondContact ND1-N 3.46Å; H5-E7 PolarHBondContact O-N 3.28Å; H5-F8 HydrophobicContact CB-CB 4.23Å; H5-F8 HydrophobicContact CB-CD1 3.72Å; H5-F8 HydrophobicContact CB-CD2 3.96Å; H5-F8 HydrophobicContact CB-CE1 4.01Å; H5-F8 HydrophobicContact CB-CE2 4.24Å; H5-F8 HydrophobicContact CB-CG 3.69Å; H5-F8 HydrophobicContact CB-CZ 4.27Å; H5-F8 WeakPolarHBondContact O-CB 3.34Å; H5-F8 PolarHBondContact O-N 3.13Å; H5-F8 VanDerWaalsContact O-N 3.1Å; H5-D26 IonicContact CE1-OD1 2.64Å; H5-D26 PolarHBondContact CE1-OD1 3.33Å; H5-D26 IonicContact NE2-OD1 3.87Å; H5-D26 PolarHBondContact NE2-OD1 2.84Å; H5-F80 AromaticContact CD2-CE1 3.83Å | ||
| 6 | A | 89.8 | Confident | 81.5 | Confident | 68 Ų | 68 | 79.7 Ų | 79.7 | 56% | 0.562 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -59.2 | -42 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F8 Q9 | A6-F8 VanDerWaalsContact C-N 3.29Å; A6-F8 PolarHBondContact O-N 3.36Å; A6-Q9 WeakPolarHBondContact O-CB 3.13Å; A6-Q9 PolarHBondContact O-N 3Å |
| 7 | E | 93.2 | Very high | 82.3 | Confident | 22 Ų | 22 | 77.2 Ų | 77.2 | 10% | 0.103 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -66.8 | -25.8 | 177.8 | -65.2 | -56.5 | 119.2 | 0 | 0 | 113.8 | H5 Q9 R10 A11 W20 L27 P29 | H5-E7 VanDerWaalsContact C-N 3.28Å; H5-E7 PolarHBondContact ND1-N 3.46Å; H5-E7 PolarHBondContact O-N 3.28Å; E7-Q9 VanDerWaalsContact C-N 3.27Å; E7-Q9 PolarHBondContact O-N 2.95Å; E7-R10 PolarHBondContact O-N 3.1Å; E7-R10 VanDerWaalsContact O-N 3.09Å; E7-R10 IonicContact OE1-CZ 3.71Å; E7-R10 IonicContact OE1-NH1 3.34Å; E7-R10 PolarHBondContact OE1-NH1 3.26Å; E7-A11 PolarHBondContact O-N 2.79Å; E7-A11 VanDerWaalsContact O-N 3.07Å; E7-W20 PolarHBondContact OE2-NE1 2.84Å; E7-L27 HydrophobicContact CB-CB 4.46Å; E7-L27 HydrophobicContact CG-CB 4.43Å; E7-P29 WeakPolarHBondContact OE2-CG 3.45Å |
| 8 | F | 92.7 | Very high | 83.1 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65.5 | -35.3 | 176.2 | -72.6 | 9 | 0 | 0 | 0 | 111.5 | A3 H5 A6 R10 A11 L27 F80 Q83 M84 F87 | A3-F8 HydrophobicContact CB-CE2 4.07Å; A3-F8 WeakPolarHBondContact O-CD2 3.29Å; H5-F8 HydrophobicContact CB-CB 4.23Å; H5-F8 HydrophobicContact CB-CD1 3.72Å; H5-F8 HydrophobicContact CB-CD2 3.96Å; H5-F8 HydrophobicContact CB-CE1 4.01Å; H5-F8 HydrophobicContact CB-CE2 4.24Å; H5-F8 HydrophobicContact CB-CG 3.69Å; H5-F8 HydrophobicContact CB-CZ 4.27Å; H5-F8 WeakPolarHBondContact O-CB 3.34Å; H5-F8 PolarHBondContact O-N 3.13Å; H5-F8 VanDerWaalsContact O-N 3.1Å; A6-F8 VanDerWaalsContact C-N 3.29Å; A6-F8 PolarHBondContact O-N 3.36Å; F8-R10 PolarHBondContact O-N 3.43Å; F8-R10 VanDerWaalsContact O-N 3.17Å; F8-A11 WeakPolarHBondContact O-CB 3.48Å; F8-A11 PolarHBondContact O-N 3.47Å; F8-A11 VanDerWaalsContact O-N 3.13Å; F8-L27 HydrophobicContact CD1-CD1 4.26Å; F8-L27 HydrophobicContact CE1-CD1 3.67Å; F8-F80 HydrophobicContact CE1-CD1 4.4Å; F8-F80 HydrophobicContact CZ-CD1 4.25Å; F8-Q83 HydrophobicContact CE2-CB 3.66Å; F8-Q83 HydrophobicContact CZ-CB 3.74Å; F8-M84 HydrophobicContact CD1-CB 4.44Å; F8-M84 HydrophobicContact CD1-CE 3.52Å; F8-M84 HydrophobicContact CD1-CG 4.48Å; F8-M84 HydrophobicContact CE1-CB 3.94Å; F8-M84 HydrophobicContact CE1-CE 3.51Å; F8-M84 HydrophobicContact CE1-CG 4.41Å; F8-M84 HydrophobicContact CE2-CB 4.35Å; F8-M84 HydrophobicContact CZ-CB 3.89Å; F8-F87 HydrophobicContact CB-CD1 3.98Å; F8-F87 HydrophobicContact CB-CD2 4.05Å; F8-F87 HydrophobicContact CB-CE1 4.13Å; F8-F87 HydrophobicContact CB-CE2 4.19Å; F8-F87 HydrophobicContact CB-CG 3.95Å; F8-F87 HydrophobicContact CB-CZ 4.23Å; F8-F87 HydrophobicContact CD2-CB 3.85Å; F8-F87 HydrophobicContact CD2-CD2 4.21Å; F8-F87 AromaticContact CD2-CG 4Å; F8-F87 HydrophobicContact CD2-CG 4Å; F8-F87 HydrophobicContact CE2-CB 4.41Å; F8-F87 HydrophobicContact CG-CG 4.36Å; F8-F87 WeakPolarHBondContact O-CE1 3.34Å; F8-F87 WeakPolarHBondContact O-CZ 3.28Å |
| 9 | Q | 90.1 | Very high | 83.8 | Confident | 122 Ų | 122 | 71.6 Ų | 71.6 | 57% | 0.57 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -62.2 | -25.9 | 177.2 | -60.8 | -177 | 5.7 | 0 | 0 | 112.1 | A6 E7 Q13 | A6-Q9 WeakPolarHBondContact O-CB 3.13Å; A6-Q9 PolarHBondContact O-N 3Å; E7-Q9 VanDerWaalsContact C-N 3.27Å; E7-Q9 PolarHBondContact O-N 2.95Å; Q9-Q13 PolarHBondContact O-NE2 3.19Å |
| 10 | R | 90.8 | Very high | 84.5 | Confident | 156 Ų | 156 | 68.2 Ų | 68.2 | 59% | 0.589 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -94.4 | -14.7 | 178.8 | -60.9 | 177.2 | 177 | 164.9 | -6.2 | 113.3 | E7 F8 Q18 | E7-R10 PolarHBondContact O-N 3.1Å; E7-R10 VanDerWaalsContact O-N 3.09Å; E7-R10 IonicContact OE1-CZ 3.71Å; E7-R10 IonicContact OE1-NH1 3.34Å; E7-R10 PolarHBondContact OE1-NH1 3.26Å; F8-R10 PolarHBondContact O-N 3.43Å; F8-R10 VanDerWaalsContact O-N 3.17Å; R10-Q18 PolarHBondContact O-NE2 3.37Å; R10-Q18 VanDerWaalsContact O-NE2 3.12Å |
| 11 | A | 93.6 | Very high | 85.1 | Confident | 4 Ų | 4 | 65 Ų | 65 | 3% | 0.033 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | 130 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111 | E7 F8 Q13 W20 L47 M84 | E7-A11 PolarHBondContact O-N 2.79Å; E7-A11 VanDerWaalsContact O-N 3.07Å; F8-A11 WeakPolarHBondContact O-CB 3.48Å; F8-A11 PolarHBondContact O-N 3.47Å; F8-A11 VanDerWaalsContact O-N 3.13Å; A11-Q13 VanDerWaalsContact C-N 3.29Å; A11-Q13 PolarHBondContact O-N 3.2Å; A11-W20 HydrophobicContact CB-CH2 4.03Å; A11-W20 HydrophobicContact CB-CZ2 4.36Å; A11-L47 HydrophobicContact CB-CD2 3.83Å; A11-M84 HydrophobicContact CB-CE 4.13Å; A11-M84 HydrophobicContact CB-SD 4.15Å |
| 12 | G | 91.4 | Very high | 87.7 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 23.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | T49 L57 Y59 | G12-T49 WeakPolarHBondContact CA-OG1 3.28Å; G12-L57 WeakPolarHBondContact O-CD1 3.3Å; G12-Y59 WeakPolarHBondContact O-CE1 3.44Å; G12-Y59 PolarHBondContact O-OH 3.44Å; G12-Y59 VanDerWaalsContact O-OH 3.07Å |
| 13 | Q | 91.3 | Very high | 89.8 | Confident | 126 Ų | 126 | 52.4 Ų | 52.4 | 59% | 0.589 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -74.8 | -34.8 | 176.5 | -66.9 | -165.5 | -3.6 | 0 | 0 | 113 | Q9 A11 | Q9-Q13 PolarHBondContact O-NE2 3.19Å; A11-Q13 VanDerWaalsContact C-N 3.29Å; A11-Q13 PolarHBondContact O-N 3.2Å |
| 14 | N | 89.5 | Confident | 91.2 | Very high | 119 Ų | 119 | 57.5 Ų | 57.5 | 64% | 0.636 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -131.2 | 153.1 | -177.3 | -64.4 | -61.7 | 0 | 0 | 0 | 110.4 | G16 T49 | N14-G16 PolarHBondContact O-N 3.18Å; N14-T49 WeakPolarHBondContact O-CB 2.99Å |
| 15 | P | 91.2 | Very high | 92.2 | Very high | 74 Ų | 74 | 54.5 Ų | 54.5 | 48% | 0.481 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -60.3 | 136 | 174.3 | -23.3 | 36 | 0 | 0 | 0 | 111.8 | T49 K51 L57 | P15-T49 CarbonylContact C-O 3.57Å; P15-T49 WeakPolarHBondContact CA-O 3.45Å; P15-K51 HydrophobicContact CB-CB 4.42Å; P15-K51 HydrophobicContact CG-CB 3.7Å; P15-K51 HydrophobicContact CG-CD 4.45Å; P15-L57 HydrophobicContact CG-CD2 4.31Å |
| 16 | G | 91.6 | Very high | 92.4 | Very high | 34 Ų | 34 | 56.7 Ų | 56.7 | 35% | 0.351 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 145.8 | 178 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | N14 T49 | N14-G16 PolarHBondContact O-N 3.18Å; G16-T49 PolarHBondContact N-O 3.25Å; G16-T49 PolarHBondContact O-N 3.37Å |
| 17 | L | 95.2 | Very high | 92.6 | Very high | 38 Ų | 38 | 53.7 Ų | 53.7 | 20% | 0.199 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 135.7 | 178.5 | -169.9 | 69.2 | 0 | 0 | 0 | 109.9 | V19 Y35 I46 N48 Y109 F110 | L17-V19 HydrophobicContact CD2-CG2 4.37Å; L17-V19 HydrophobicContact CG-CG2 4.33Å; L17-Y35 HydrophobicContact CB-CE2 4.4Å; L17-Y35 HydrophobicContact CD2-CD2 3.96Å; L17-Y35 HydrophobicContact CD2-CE2 4.39Å; L17-Y35 HydrophobicContact CG-CD2 4.43Å; L17-Y35 HydrophobicContact CG-CE2 4.37Å; L17-Y35 WeakPolarHBondContact O-CE2 3.36Å; L17-I46 HydrophobicContact CD1-CG2 3.58Å; L17-I46 HydrophobicContact CG-CG2 4.34Å; L17-N48 HydrophobicContact CD1-CB 3.85Å; L17-Y109 HydrophobicContact CD1-CD2 3.92Å; L17-Y109 HydrophobicContact CD1-CE2 4.37Å; L17-Y109 HydrophobicContact CD1-CG 4.12Å; L17-F110 HydrophobicContact CD2-CE1 3.77Å; L17-F110 HydrophobicContact CD2-CZ 4Å |
| 18 | Q | 97.1 | Very high | 92.7 | Very high | 45 Ų | 45 | 55 Ų | 55 | 21% | 0.21 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 132.2 | 172.2 | -61.4 | 176.9 | -77.7 | 0 | 0 | 109.2 | R10 W20 I46 L47 | R10-Q18 PolarHBondContact O-NE2 3.37Å; R10-Q18 VanDerWaalsContact O-NE2 3.12Å; Q18-W20 HydrophobicContact CB-CE3 4.35Å; Q18-W20 HydrophobicContact CB-CH2 3.27Å; Q18-W20 HydrophobicContact CB-CZ2 3.85Å; Q18-W20 HydrophobicContact CB-CZ3 3.57Å; Q18-W20 HydrophobicContact CG-CH2 4.09Å; Q18-W20 HydrophobicContact CG-CZ2 4.49Å; Q18-I46 CarbonylContact O-C 3.6Å; Q18-I46 WeakPolarHBondContact O-CA 3.43Å; Q18-L47 PolarHBondContact N-O 2.93Å; Q18-L47 PolarHBondContact O-N 3.42Å |
| 19 | V | 97 | Very high | 92.8 | Very high | 3 Ų | 3 | 58.1 Ų | 58.1 | 2% | 0.018 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 128.3 | -179.6 | -177.9 | 0 | 0 | 0 | 0 | 109.5 | L17 V30 Y35 F38 Y44 I46 | L17-V19 HydrophobicContact CD2-CG2 4.37Å; L17-V19 HydrophobicContact CG-CG2 4.33Å; V19-V30 HydrophobicContact CB-CB 4.17Å; V19-V30 HydrophobicContact CB-CG2 4.43Å; V19-V30 HydrophobicContact CG1-CB 4.02Å; V19-V30 HydrophobicContact CG1-CG2 3.8Å; V19-V30 PolarHBondContact O-N 3.17Å; V19-Y35 HydrophobicContact CB-CD1 3.96Å; V19-Y35 HydrophobicContact CB-CE1 3.56Å; V19-Y35 HydrophobicContact CG2-CD1 3.85Å; V19-Y35 HydrophobicContact CG2-CD2 4.07Å; V19-Y35 HydrophobicContact CG2-CE1 3.76Å; V19-Y35 HydrophobicContact CG2-CE2 3.99Å; V19-Y35 HydrophobicContact CG2-CG 4Å; V19-Y35 PolarHBondContact N-OH 3.42Å; V19-F38 HydrophobicContact CG1-CE1 4.42Å; V19-Y44 HydrophobicContact CG1-CD1 4.17Å; V19-I46 HydrophobicContact CG1-CG1 4.15Å; V19-I46 HydrophobicContact CG2-CG1 4.23Å; V19-I46 HydrophobicContact CG2-CG2 4.14Å |
| 20 | W | 97.3 | Very high | 92.9 | Very high | 3 Ų | 3 | 52.7 Ų | 52.7 | 1% | 0.011 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 141.9 | 171.9 | -59.7 | -95.4 | 0 | 0 | 0 | 110.2 | E7 A11 Q18 L27 V28 Y44 L45 L47 M84 | E7-W20 PolarHBondContact OE2-NE1 2.84Å; A11-W20 HydrophobicContact CB-CH2 4.03Å; A11-W20 HydrophobicContact CB-CZ2 4.36Å; Q18-W20 HydrophobicContact CB-CE3 4.35Å; Q18-W20 HydrophobicContact CB-CH2 3.27Å; Q18-W20 HydrophobicContact CB-CZ2 3.85Å; Q18-W20 HydrophobicContact CB-CZ3 3.57Å; Q18-W20 HydrophobicContact CG-CH2 4.09Å; Q18-W20 HydrophobicContact CG-CZ2 4.49Å; W20-L27 HydrophobicContact CB-CB 4.18Å; W20-L27 HydrophobicContact CB-CD2 4.04Å; W20-L27 HydrophobicContact CG-CB 4.26Å; W20-V28 CarbonylContact C-O 3.5Å; W20-V28 VanDerWaalsContact CA-O 3.31Å; W20-V28 WeakPolarHBondContact CA-O 3.17Å; W20-Y44 CarbonylContact O-C 3.12Å; W20-Y44 VanDerWaalsContact O-CA 3.3Å; W20-Y44 WeakPolarHBondContact O-CA 3.45Å; W20-Y44 WeakPolarHBondContact O-CB 3.4Å; W20-L45 HydrophobicContact CB-CB 4.48Å; W20-L45 PolarHBondContact N-O 3.34Å; W20-L45 PolarHBondContact O-N 2.98Å; W20-L47 HydrophobicContact CH2-CB 4.17Å; W20-L47 HydrophobicContact CH2-CD2 4.38Å; W20-L47 HydrophobicContact CZ3-CB 3.7Å; W20-M84 HydrophobicContact CH2-CE 4.48Å; W20-M84 HydrophobicContact CZ3-CE 4.34Å |
| 21 | R | 96.3 | Very high | 92.8 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 137.9 | 168.6 | -173.6 | 173.6 | 175.1 | -143.9 | 9.5 | 108.8 | E23 V28 V30 D42 Y44 F125 | R21-E23 HydrophobicContact CB-CG 4.38Å; R21-E23 WeakPolarHBondContact CD-OE1 3.37Å; R21-E23 HydrophobicContact CG-CG 4Å; R21-E23 IonicContact CZ-OE1 2.68Å; R21-E23 IonicContact NE-OE1 3.14Å; R21-E23 IonicContact NH1-OE1 2.71Å; R21-E23 PolarHBondContact NH1-OE1 3.15Å; R21-E23 PolarHBondContact O-N 2.93Å; R21-V28 PolarHBondContact N-O 2.81Å; R21-V28 PolarHBondContact O-N 2.67Å; R21-V30 HydrophobicContact CB-CG2 4.07Å; R21-D42 IonicContact CZ-OD2 3.19Å; R21-D42 IonicContact NE-OD2 2.71Å; R21-D42 PolarHBondContact NE-OD2 3.4Å; R21-D42 IonicContact NH2-OD1 2.91Å; R21-D42 IonicContact NH2-OD2 2.53Å; R21-D42 PolarHBondContact NH2-OD2 3.3Å; R21-Y44 HydrophobicContact CB-CD1 3.88Å; R21-Y44 HydrophobicContact CB-CE1 3.69Å; R21-Y44 HydrophobicContact CG-CD1 4.19Å; R21-Y44 HydrophobicContact CG-CE1 3.74Å; R21-Y44 HydrophobicContact CG-CE2 4.49Å; R21-F125 PolarHBondContact NH1-O 2.89Å; R21-F125 PolarHBondContact NH2-O 3.06Å |
| 22 | V | 94.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 112.6 | 173.9 | -179.4 | 0 | 0 | 0 | 0 | 108 | D26 L27 A43 A76 A77 F80 | V22-D26 WeakPolarHBondContact CA-O 3.45Å; V22-L27 HydrophobicContact CG2-CD2 4.2Å; V22-A43 HydrophobicContact CB-CB 4.5Å; V22-A43 WeakPolarHBondContact CB-O 3.34Å; V22-A43 HydrophobicContact CG2-CB 4.44Å; V22-A43 PolarHBondContact N-O 2.6Å; V22-A76 HydrophobicContact CG1-CB 3.86Å; V22-A77 HydrophobicContact CG2-CB 4.02Å; V22-F80 HydrophobicContact CG1-CE2 4.41Å; V22-F80 HydrophobicContact CG2-CD2 4.42Å |
| 23 | E | 91.6 | Very high | 92 | Very high | 30 Ų | 30 | 57.5 Ų | 57.5 | 14% | 0.14 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 116.5 | 177.8 | -52.2 | -164.1 | 172.4 | 0 | 0 | 109.5 | R21 F25 D26 V28 V121 | R21-E23 HydrophobicContact CB-CG 4.38Å; R21-E23 WeakPolarHBondContact CD-OE1 3.37Å; R21-E23 HydrophobicContact CG-CG 4Å; R21-E23 IonicContact CZ-OE1 2.68Å; R21-E23 IonicContact NE-OE1 3.14Å; R21-E23 IonicContact NH1-OE1 2.71Å; R21-E23 PolarHBondContact NH1-OE1 3.15Å; R21-E23 PolarHBondContact O-N 2.93Å; E23-F25 VanDerWaalsContact C-N 3.3Å; E23-F25 PolarHBondContact O-N 3.35Å; E23-D26 PolarHBondContact N-O 3.08Å; E23-D26 WeakPolarHBondContact O-CB 3.24Å; E23-D26 PolarHBondContact O-N 2.87Å; E23-V28 HydrophobicContact CB-CG2 3.84Å; E23-V28 HydrophobicContact CG-CB 4.1Å; E23-V28 HydrophobicContact CG-CG2 3.8Å; E23-V121 HydrophobicContact CB-CG1 4.48Å; E23-V121 HydrophobicContact CB-CG2 4.05Å; E23-V121 HydrophobicContact CG-CG2 3.68Å |
| 24 | N | 87.5 | Confident | 91.7 | Very high | 139 Ų | 139 | 52.6 Ų | 52.6 | 74% | 0.743 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 44.9 | 176.6 | -56.2 | -59.1 | 0 | 0 | 0 | 114.3 | D26 | N24-D26 VanDerWaalsContact C-N 3.31Å; N24-D26 PolarHBondContact O-N 3.18Å |
| 25 | F | 87.1 | Confident | 91.7 | Very high | 125 Ų | 125 | 49.4 Ų | 49.4 | 55% | 0.548 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 30.2 | -178.1 | -148.1 | -97.4 | 0 | 0 | 0 | 114.2 | E23 A76 I79 F80 | E23-F25 VanDerWaalsContact C-N 3.3Å; E23-F25 PolarHBondContact O-N 3.35Å; F25-A76 HydrophobicContact CD2-CB 3.48Å; F25-A76 VanDerWaalsContact CD2-CB 3.48Å; F25-A76 HydrophobicContact CE2-CB 3.67Å; F25-A76 HydrophobicContact CG-CB 4.44Å; F25-I79 HydrophobicContact CE2-CD1 4.09Å; F25-I79 HydrophobicContact CZ-CD1 3.99Å; F25-I79 HydrophobicContact CZ-CG2 4.49Å; F25-F80 WeakPolarHBondContact O-CZ 3.49Å |
| 26 | D | 92.7 | Very high | 91.4 | Very high | 78 Ų | 78 | 45.9 Ų | 45.9 | 42% | 0.417 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 158.7 | 173 | -164 | 2.4 | 0 | 0 | 0 | 110.3 | H5 V22 E23 N24 | H5-D26 IonicContact CE1-OD1 2.64Å; H5-D26 PolarHBondContact CE1-OD1 3.33Å; H5-D26 IonicContact NE2-OD1 3.87Å; H5-D26 PolarHBondContact NE2-OD1 2.84Å; V22-D26 WeakPolarHBondContact CA-O 3.45Å; E23-D26 PolarHBondContact N-O 3.08Å; E23-D26 WeakPolarHBondContact O-CB 3.24Å; E23-D26 PolarHBondContact O-N 2.87Å; N24-D26 VanDerWaalsContact C-N 3.31Å; N24-D26 PolarHBondContact O-N 3.18Å |
| 27 | L | 93.9 | Very high | 91.3 | Very high | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 111.4 | 175 | -68.1 | 175.1 | 0 | 0 | 0 | 110.6 | E7 F8 W20 V22 L45 F80 M84 | E7-L27 HydrophobicContact CB-CB 4.46Å; E7-L27 HydrophobicContact CG-CB 4.43Å; F8-L27 HydrophobicContact CD1-CD1 4.26Å; F8-L27 HydrophobicContact CE1-CD1 3.67Å; W20-L27 HydrophobicContact CB-CB 4.18Å; W20-L27 HydrophobicContact CB-CD2 4.04Å; W20-L27 HydrophobicContact CG-CB 4.26Å; V22-L27 HydrophobicContact CG2-CD2 4.2Å; L27-L45 HydrophobicContact CD1-CD2 3.99Å; L27-L45 HydrophobicContact CD2-CB 4.07Å; L27-L45 HydrophobicContact CD2-CD2 4.1Å; L27-F80 HydrophobicContact CD1-CB 4.3Å; L27-F80 HydrophobicContact CD1-CD1 3.94Å; L27-F80 HydrophobicContact CD1-CE1 4.38Å; L27-F80 HydrophobicContact CD1-CG 4.04Å; L27-F80 HydrophobicContact CD2-CB 4.23Å; L27-F80 HydrophobicContact CD2-CD2 3.7Å; L27-F80 HydrophobicContact CD2-CE2 4.13Å; L27-F80 HydrophobicContact CD2-CG 3.93Å; L27-F80 HydrophobicContact CG-CD1 4.03Å; L27-F80 HydrophobicContact CG-CD2 3.94Å; L27-F80 HydrophobicContact CG-CE1 4.15Å; L27-F80 HydrophobicContact CG-CE2 4.06Å; L27-F80 HydrophobicContact CG-CG 3.93Å; L27-F80 HydrophobicContact CG-CZ 4.16Å; L27-M84 HydrophobicContact CD1-CE 4.14Å |
| 28 | V | 94.6 | Very high | 91.2 | Very high | 49 Ų | 49 | 42.8 Ų | 42.8 | 30% | 0.297 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 120.7 | 178.9 | -177.4 | 0 | 0 | 0 | 0 | 109.8 | W20 R21 E23 V30 | W20-V28 CarbonylContact C-O 3.5Å; W20-V28 VanDerWaalsContact CA-O 3.31Å; W20-V28 WeakPolarHBondContact CA-O 3.17Å; R21-V28 PolarHBondContact N-O 2.81Å; R21-V28 PolarHBondContact O-N 2.67Å; E23-V28 HydrophobicContact CB-CG2 3.84Å; E23-V28 HydrophobicContact CG-CB 4.1Å; E23-V28 HydrophobicContact CG-CG2 3.8Å; V28-V30 PolarHBondContact O-N 2.8Å |
| 29 | P | 94.4 | Very high | 90.9 | Very high | 67 Ų | 67 | 41.8 Ų | 41.8 | 44% | 0.435 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 133.2 | 178.3 | -24.8 | 34.3 | 0 | 0 | 0 | 112.4 | E7 | E7-P29 WeakPolarHBondContact OE2-CG 3.45Å |
| 30 | V | 93.3 | Very high | 90.5 | Very high | 8 Ų | 8 | 42.3 Ų | 42.3 | 5% | 0.048 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -82.1 | 137.1 | 169.7 | 179.9 | 0 | 0 | 0 | 0 | 108.5 | V19 R21 V28 E32 L34 Y35 Y44 | V19-V30 HydrophobicContact CB-CB 4.17Å; V19-V30 HydrophobicContact CB-CG2 4.43Å; V19-V30 HydrophobicContact CG1-CB 4.02Å; V19-V30 HydrophobicContact CG1-CG2 3.8Å; V19-V30 PolarHBondContact O-N 3.17Å; R21-V30 HydrophobicContact CB-CG2 4.07Å; V28-V30 PolarHBondContact O-N 2.8Å; V30-E32 PolarHBondContact O-N 2.96Å; V30-L34 HydrophobicContact CG1-CB 4.21Å; V30-Y35 HydrophobicContact CB-CD1 4.36Å; V30-Y35 HydrophobicContact CB-CE1 4.04Å; V30-Y35 HydrophobicContact CG1-CD1 4.05Å; V30-Y35 HydrophobicContact CG1-CE1 4.2Å; V30-Y35 VanDerWaalsContact O-CE1 3.25Å; V30-Y35 WeakPolarHBondContact O-CE1 3.47Å; V30-Y44 HydrophobicContact CG2-CD1 4.28Å; V30-Y44 HydrophobicContact CG2-CE1 4.06Å |
| 31 | P | 88.9 | Confident | 90.2 | Very high | 49 Ų | 49 | 42.7 Ų | 42.7 | 32% | 0.318 | 22% | 0.224 | S | C | . | . | P | Polyproline II helix | trans | -59.4 | 135.5 | 172.1 | -25.3 | 35.3 | 0 | 0 | 0 | 112 | N33 L34 Y35 | P31-N33 VanDerWaalsContact C-N 3.27Å; P31-N33 WeakPolarHBondContact CB-OD1 3.48Å; P31-N33 PolarHBondContact O-N 3.11Å; P31-L34 HydrophobicContact CB-CD1 4.27Å; P31-L34 HydrophobicContact CB-CG 4.31Å; P31-L34 HydrophobicContact CG-CD1 4.12Å; P31-L34 WeakPolarHBondContact O-CA 3.48Å; P31-L34 PolarHBondContact O-N 2.82Å; P31-Y35 WeakPolarHBondContact O-CD1 3.48Å |
| 32 | E | 87.3 | Confident | 90.1 | Very high | 154 Ų | 154 | 42.6 Ų | 42.6 | 72% | 0.72 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -56.5 | -36.8 | -175.4 | -69.8 | -179.1 | -169.4 | 0 | 0 | 113.5 | V30 L34 Y35 | V30-E32 PolarHBondContact O-N 2.96Å; E32-L34 PolarHBondContact O-N 3.13Å; E32-Y35 HydrophobicContact CB-CE2 4.46Å; E32-Y35 HydrophobicContact CG-CE2 4.12Å; E32-Y35 WeakPolarHBondContact O-CB 3.25Å; E32-Y35 PolarHBondContact O-N 3.13Å; E32-Y35 VanDerWaalsContact O-N 3.16Å |
| 33 | N | 80 | Confident | 90.2 | Very high | 59 Ų | 59 | 42.6 Ų | 42.6 | 32% | 0.316 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -67.5 | -13.9 | 177.3 | 69.5 | -61.5 | 0 | 0 | 0 | 113.5 | P31 M129 N199 | P31-N33 VanDerWaalsContact C-N 3.27Å; P31-N33 WeakPolarHBondContact CB-OD1 3.48Å; P31-N33 PolarHBondContact O-N 3.11Å; N33-M129 WeakPolarHBondContact ND2-CE 3.37Å; N33-M129 PolarHBondContact ND2-SD 3.27Å; N33-N199 PolarHBondContact ND2-O 2.89Å; N33-N199 WeakPolarHBondContact O-CB 3.45Å |
| 34 | L | 84.3 | Confident | 90.4 | Very high | 23 Ų | 23 | 41.1 Ų | 41.1 | 12% | 0.12 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -103 | 5.4 | 177.8 | -58.9 | -179 | 0 | 0 | 0 | 112.8 | V30 P31 E32 G36 G37 H127 M129 E200 | V30-L34 HydrophobicContact CG1-CB 4.21Å; P31-L34 HydrophobicContact CB-CD1 4.27Å; P31-L34 HydrophobicContact CB-CG 4.31Å; P31-L34 HydrophobicContact CG-CD1 4.12Å; P31-L34 WeakPolarHBondContact O-CA 3.48Å; P31-L34 PolarHBondContact O-N 2.82Å; E32-L34 PolarHBondContact O-N 3.13Å; L34-G36 PolarHBondContact O-N 2.81Å; L34-G37 PolarHBondContact O-N 3.16Å; L34-H127 HydrophobicContact CD1-CB 4.08Å; L34-M129 HydrophobicContact CD2-SD 4.46Å; L34-E200 HydrophobicContact CD2-CG 4.2Å |
| 35 | Y | 90.9 | Very high | 90.9 | Very high | 52 Ų | 52 | 34.5 Ų | 34.5 | 20% | 0.204 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 136.9 | 175.4 | -76.1 | 8.4 | 0 | 0 | 0 | 111 | L17 V19 V30 P31 E32 | L17-Y35 HydrophobicContact CB-CE2 4.4Å; L17-Y35 HydrophobicContact CD2-CD2 3.96Å; L17-Y35 HydrophobicContact CD2-CE2 4.39Å; L17-Y35 HydrophobicContact CG-CD2 4.43Å; L17-Y35 HydrophobicContact CG-CE2 4.37Å; L17-Y35 WeakPolarHBondContact O-CE2 3.36Å; V19-Y35 HydrophobicContact CB-CD1 3.96Å; V19-Y35 HydrophobicContact CB-CE1 3.56Å; V19-Y35 HydrophobicContact CG2-CD1 3.85Å; V19-Y35 HydrophobicContact CG2-CD2 4.07Å; V19-Y35 HydrophobicContact CG2-CE1 3.76Å; V19-Y35 HydrophobicContact CG2-CE2 3.99Å; V19-Y35 HydrophobicContact CG2-CG 4Å; V19-Y35 PolarHBondContact N-OH 3.42Å; V30-Y35 HydrophobicContact CB-CD1 4.36Å; V30-Y35 HydrophobicContact CB-CE1 4.04Å; V30-Y35 HydrophobicContact CG1-CD1 4.05Å; V30-Y35 HydrophobicContact CG1-CE1 4.2Å; V30-Y35 VanDerWaalsContact O-CE1 3.25Å; V30-Y35 WeakPolarHBondContact O-CE1 3.47Å; P31-Y35 WeakPolarHBondContact O-CD1 3.48Å; E32-Y35 HydrophobicContact CB-CE2 4.46Å; E32-Y35 HydrophobicContact CG-CE2 4.12Å; E32-Y35 WeakPolarHBondContact O-CB 3.25Å; E32-Y35 PolarHBondContact O-N 3.13Å; E32-Y35 VanDerWaalsContact O-N 3.16Å |
| 36 | G | 84.6 | Confident | 91.4 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.6 | -7.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L34 F110 I114 K115 | L34-G36 PolarHBondContact O-N 2.81Å; G36-F110 VanDerWaalsContact CA-CD1 3.48Å; G36-F110 VanDerWaalsContact N-CE1 3.35Å; G36-I114 CarbonylContact O-C 3.51Å; G36-I114 WeakPolarHBondContact O-CA 3.29Å; G36-K115 PolarHBondContact O-N 2.99Å |
| 37 | G | 89 | Confident | 91.6 | Very high | 5 Ų | 5 | 24.9 Ų | 24.9 | 5% | 0.052 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 122.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L34 H127 | L34-G37 PolarHBondContact O-N 3.16Å; G37-H127 PolarHBondContact O-NE2 2.81Å |
| 38 | F | 92.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 0% | 0.004 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 127.4 | 179.9 | -59.8 | -79.5 | 0 | 0 | 0 | 110.8 | V19 Y44 I46 W64 F106 F110 I114 K115 Y116 M117 | V19-F38 HydrophobicContact CG1-CE1 4.42Å; F38-Y44 HydrophobicContact CB-CE2 4.21Å; F38-Y44 AromaticContact CD1-CD1 3.93Å; F38-Y44 HydrophobicContact CD1-CD1 3.93Å; F38-Y44 AromaticContact CD1-CD2 3.79Å; F38-Y44 HydrophobicContact CD1-CD2 3.79Å; F38-Y44 HydrophobicContact CD1-CE1 4.07Å; F38-Y44 AromaticContact CD1-CE2 3.97Å; F38-Y44 HydrophobicContact CD1-CE2 3.97Å; F38-Y44 AromaticContact CD1-CG 3.77Å; F38-Y44 HydrophobicContact CD1-CG 3.77Å; F38-Y44 HydrophobicContact CE1-CD1 4.17Å; F38-Y44 HydrophobicContact CE1-CG 4.13Å; F38-I46 HydrophobicContact CE1-CD1 4.4Å; F38-W64 HydrophobicContact CB-CD2 4.42Å; F38-W64 HydrophobicContact CB-CE3 4.19Å; F38-W64 HydrophobicContact CB-CH2 3.67Å; F38-W64 HydrophobicContact CB-CZ2 3.92Å; F38-W64 HydrophobicContact CB-CZ3 3.82Å; F38-W64 HydrophobicContact CD1-CD2 4.32Å; F38-W64 HydrophobicContact CD1-CE3 4.29Å; F38-W64 HydrophobicContact CG-CD2 4.38Å; F38-W64 HydrophobicContact CG-CE3 4.46Å; F38-F106 HydrophobicContact CE1-CZ 4.21Å; F38-F106 HydrophobicContact CE2-CE1 4.27Å; F38-F106 AromaticContact CE2-CZ 3.85Å; F38-F106 HydrophobicContact CE2-CZ 3.85Å; F38-F106 HydrophobicContact CZ-CE1 4.41Å; F38-F106 HydrophobicContact CZ-CE2 4.33Å; F38-F106 AromaticContact CZ-CZ 3.56Å; F38-F106 HydrophobicContact CZ-CZ 3.56Å; F38-F110 HydrophobicContact CE2-CE2 4.15Å; F38-F110 HydrophobicContact CE2-CZ 4.21Å; F38-F110 HydrophobicContact CZ-CE1 4.42Å; F38-F110 AromaticContact CZ-CE2 3.97Å; F38-F110 HydrophobicContact CZ-CE2 3.97Å; F38-F110 AromaticContact CZ-CZ 3.75Å; F38-F110 HydrophobicContact CZ-CZ 3.75Å; F38-I114 HydrophobicContact CE2-CG2 4.25Å; F38-K115 PolarHBondContact N-O 2.81Å; F38-Y116 CarbonylContact O-C 3.48Å; F38-Y116 WeakPolarHBondContact O-CA 3.39Å; F38-M117 PolarHBondContact O-N 3.07Å |
| 39 | Y | 91.5 | Very high | 91.7 | Very high | 25 Ų | 25 | 23 Ų | 23 | 10% | 0.098 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 130.6 | 173.4 | -80.5 | -65.2 | 0 | 0 | 0 | 110.4 | G41 D42 Y44 W64 M117 K118 F125 H127 | Y39-G41 PolarHBondContact O-N 2.82Å; Y39-D42 WeakPolarHBondContact CB-OD2 3.13Å; Y39-D42 PolarHBondContact O-N 3.34Å; Y39-Y44 PolarHBondContact N-OH 2.61Å; Y39-W64 WeakPolarHBondContact O-CZ3 3.42Å; Y39-M117 CarbonylContact C-O 3.57Å; Y39-M117 WeakPolarHBondContact CA-O 3.49Å; Y39-M117 HydrophobicContact CD1-CB 3.46Å; Y39-M117 VanDerWaalsContact CD1-CB 3.46Å; Y39-M117 HydrophobicContact CD1-CE 4.16Å; Y39-M117 HydrophobicContact CD2-CE 3.81Å; Y39-M117 HydrophobicContact CE1-CB 3.54Å; Y39-M117 HydrophobicContact CE1-CE 4.01Å; Y39-M117 HydrophobicContact CE1-CG 4.5Å; Y39-M117 HydrophobicContact CE1-SD 4.28Å; Y39-M117 HydrophobicContact CE2-CE 3.65Å; Y39-M117 HydrophobicContact CG-CB 4.23Å; Y39-M117 HydrophobicContact CG-CE 4.03Å; Y39-K118 WeakPolarHBondContact CD1-O 3.44Å; Y39-K118 WeakPolarHBondContact CE1-O 3.43Å; Y39-F125 HydrophobicContact CD1-CB 4.39Å; Y39-F125 HydrophobicContact CE1-CB 3.84Å; Y39-F125 HydrophobicContact CE1-CD1 4.22Å; Y39-F125 HydrophobicContact CE1-CG 4.22Å; Y39-F125 HydrophobicContact CE2-CB 4.31Å; Y39-H127 AromaticContact CD2-CE1 3.35Å; Y39-H127 WeakPolarHBondContact CD2-CE1 3.14Å; Y39-H127 AromaticContact CD2-ND1 3.71Å; Y39-H127 AromaticContact CE2-CE1 3.31Å; Y39-H127 WeakPolarHBondContact CE2-CE1 3.43Å; Y39-H127 AromaticContact CE2-ND1 3.38Å; Y39-H127 WeakPolarHBondContact CE2-ND1 3.38Å |
| 40 | T | 89.3 | Confident | 91.3 | Very high | 13 Ų | 13 | 20.1 Ų | 20.1 | 8% | 0.08 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -18.5 | -176.3 | 61.3 | 0 | 0 | 0 | 0 | 113.5 | G66 D67 F68 C69 Q99 M117 | T40-G66 CarbonylContact O-C 3.55Å; T40-G66 VanDerWaalsContact O-C 3.22Å; T40-G66 VanDerWaalsContact O-CA 3.3Å; T40-G66 WeakPolarHBondContact O-CA 3.16Å; T40-D67 PolarHBondContact O-N 2.84Å; T40-F68 CarbonylContact O-C 3.54Å; T40-F68 WeakPolarHBondContact O-CA 3.4Å; T40-F68 PolarHBondContact O-N 2.83Å; T40-C69 PolarHBondContact O-N 2.9Å; T40-Q99 VanDerWaalsContact CG2-OE1 3.28Å; T40-M117 PolarHBondContact N-O 3.09Å; T40-M117 PolarHBondContact OG1-O 2.83Å |
| 41 | G | 90.3 | Very high | 90.9 | Very high | 12 Ų | 12 | 26.2 Ų | 26.2 | 12% | 0.124 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 4.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y39 C69 G119 | Y39-G41 PolarHBondContact O-N 2.82Å; G41-C69 WeakPolarHBondContact O-CA 3.19Å; G41-G119 WeakPolarHBondContact CA-O 3.22Å; G41-G119 PolarHBondContact N-O 2.89Å |
| 42 | D | 94.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -128 | 174.3 | -171.6 | -58.8 | -35.1 | 0 | 0 | 0 | 113.9 | R21 Y39 Y44 G66 C69 G120 V121 | R21-D42 IonicContact CZ-OD2 3.19Å; R21-D42 IonicContact NE-OD2 2.71Å; R21-D42 PolarHBondContact NE-OD2 3.4Å; R21-D42 IonicContact NH2-OD1 2.91Å; R21-D42 IonicContact NH2-OD2 2.53Å; R21-D42 PolarHBondContact NH2-OD2 3.3Å; Y39-D42 WeakPolarHBondContact CB-OD2 3.13Å; Y39-D42 PolarHBondContact O-N 3.34Å; D42-Y44 HydrophobicContact CB-CD2 4.48Å; D42-Y44 HydrophobicContact CB-CE2 3.85Å; D42-G66 PolarHBondContact O-N 2.87Å; D42-C69 WeakPolarHBondContact O-CB 3.15Å; D42-G120 VanDerWaalsContact CG-CA 3.45Å; D42-G120 WeakPolarHBondContact OD1-CA 3.47Å; D42-G120 VanDerWaalsContact OD2-CA 3.23Å; D42-G120 WeakPolarHBondContact OD2-CA 3.31Å; D42-V121 PolarHBondContact OD1-N 3.38Å | ||
| 43 | A | 95.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 150.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V22 W64 L65 E73 A77 | V22-A43 HydrophobicContact CB-CB 4.5Å; V22-A43 WeakPolarHBondContact CB-O 3.34Å; V22-A43 HydrophobicContact CG2-CB 4.44Å; V22-A43 PolarHBondContact N-O 2.6Å; A43-W64 CarbonylContact C-O 3.51Å; A43-W64 VanDerWaalsContact CA-O 3.29Å; A43-W64 WeakPolarHBondContact CA-O 3.45Å; A43-L65 HydrophobicContact CB-CD2 3.86Å; A43-E73 HydrophobicContact CB-CB 4.34Å; A43-A77 HydrophobicContact CB-CB 3.73Å |
| 44 | Y | 97.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 154 | -176.3 | -67.7 | -105.3 | 0 | 0 | 0 | 111.2 | V19 W20 R21 V30 F38 Y39 D42 F63 W64 H127 | V19-Y44 HydrophobicContact CG1-CD1 4.17Å; W20-Y44 CarbonylContact O-C 3.12Å; W20-Y44 VanDerWaalsContact O-CA 3.3Å; W20-Y44 WeakPolarHBondContact O-CA 3.45Å; W20-Y44 WeakPolarHBondContact O-CB 3.4Å; R21-Y44 HydrophobicContact CB-CD1 3.88Å; R21-Y44 HydrophobicContact CB-CE1 3.69Å; R21-Y44 HydrophobicContact CG-CD1 4.19Å; R21-Y44 HydrophobicContact CG-CE1 3.74Å; R21-Y44 HydrophobicContact CG-CE2 4.49Å; V30-Y44 HydrophobicContact CG2-CD1 4.28Å; V30-Y44 HydrophobicContact CG2-CE1 4.06Å; F38-Y44 HydrophobicContact CB-CE2 4.21Å; F38-Y44 AromaticContact CD1-CD1 3.93Å; F38-Y44 HydrophobicContact CD1-CD1 3.93Å; F38-Y44 AromaticContact CD1-CD2 3.79Å; F38-Y44 HydrophobicContact CD1-CD2 3.79Å; F38-Y44 HydrophobicContact CD1-CE1 4.07Å; F38-Y44 AromaticContact CD1-CE2 3.97Å; F38-Y44 HydrophobicContact CD1-CE2 3.97Å; F38-Y44 AromaticContact CD1-CG 3.77Å; F38-Y44 HydrophobicContact CD1-CG 3.77Å; F38-Y44 HydrophobicContact CE1-CD1 4.17Å; F38-Y44 HydrophobicContact CE1-CG 4.13Å; Y39-Y44 PolarHBondContact N-OH 2.61Å; D42-Y44 HydrophobicContact CB-CD2 4.48Å; D42-Y44 HydrophobicContact CB-CE2 3.85Å; Y44-F63 CarbonylContact O-C 3.51Å; Y44-F63 WeakPolarHBondContact O-CA 3.43Å; Y44-W64 AromaticContact CD2-CE3 3.71Å; Y44-W64 HydrophobicContact CD2-CE3 3.71Å; Y44-W64 HydrophobicContact CD2-CZ3 4.06Å; Y44-W64 HydrophobicContact CE2-CE3 4.24Å; Y44-W64 HydrophobicContact CE2-CZ3 4.13Å; Y44-W64 PolarHBondContact N-O 3.2Å; Y44-W64 PolarHBondContact O-N 2.93Å; Y44-H127 PolarHBondContact OH-CE1 3.03Å |
| 45 | L | 97.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 130.6 | 169.5 | -158.1 | 74.2 | 0 | 0 | 0 | 108.7 | W20 L27 L61 H62 F63 F80 T81 M84 | W20-L45 HydrophobicContact CB-CB 4.48Å; W20-L45 PolarHBondContact N-O 3.34Å; W20-L45 PolarHBondContact O-N 2.98Å; L27-L45 HydrophobicContact CD1-CD2 3.99Å; L27-L45 HydrophobicContact CD2-CB 4.07Å; L27-L45 HydrophobicContact CD2-CD2 4.1Å; L45-L61 HydrophobicContact CD1-CD1 4.22Å; L45-L61 HydrophobicContact CD2-CD1 4.3Å; L45-L61 HydrophobicContact CG-CD1 4.01Å; L45-H62 WeakPolarHBondContact CA-O 3.29Å; L45-F63 HydrophobicContact CD1-CB 4.02Å; L45-F80 HydrophobicContact CD2-CB 4.09Å; L45-T81 WeakPolarHBondContact CD1-OG1 3.37Å; L45-M84 HydrophobicContact CD2-CE 3.43Å; L45-M84 VanDerWaalsContact CD2-CE 3.43Å; L45-M84 HydrophobicContact CD2-SD 3.9Å |
| 46 | I | 97.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 124.8 | -176.6 | -55.4 | 85.3 | 0 | 0 | 0 | 108.3 | L17 Q18 V19 F38 L61 H62 W64 F106 | L17-I46 HydrophobicContact CD1-CG2 3.58Å; L17-I46 HydrophobicContact CG-CG2 4.34Å; Q18-I46 CarbonylContact O-C 3.6Å; Q18-I46 WeakPolarHBondContact O-CA 3.43Å; V19-I46 HydrophobicContact CG1-CG1 4.15Å; V19-I46 HydrophobicContact CG2-CG1 4.23Å; V19-I46 HydrophobicContact CG2-CG2 4.14Å; F38-I46 HydrophobicContact CE1-CD1 4.4Å; I46-L61 CarbonylContact O-C 3.52Å; I46-L61 WeakPolarHBondContact O-CA 3.18Å; I46-H62 HydrophobicContact CB-CB 4.17Å; I46-H62 HydrophobicContact CD1-CB 4.49Å; I46-H62 PolarHBondContact N-O 3.34Å; I46-H62 PolarHBondContact O-N 3.27Å; I46-W64 HydrophobicContact CD1-CB 3.93Å; I46-F106 HydrophobicContact CB-CE2 4.46Å; I46-F106 HydrophobicContact CD1-CE2 3.76Å; I46-F106 HydrophobicContact CD1-CZ 4.49Å; I46-F106 HydrophobicContact CG1-CE2 3.93Å |
| 47 | L | 97.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 117 | 176.2 | 178.3 | 63.5 | 0 | 0 | 0 | 109.3 | A11 Q18 W20 Y59 D60 L61 M84 L88 | A11-L47 HydrophobicContact CB-CD2 3.83Å; Q18-L47 PolarHBondContact N-O 2.93Å; Q18-L47 PolarHBondContact O-N 3.42Å; W20-L47 HydrophobicContact CH2-CB 4.17Å; W20-L47 HydrophobicContact CH2-CD2 4.38Å; W20-L47 HydrophobicContact CZ3-CB 3.7Å; L47-Y59 HydrophobicContact CD1-CD1 4.1Å; L47-Y59 HydrophobicContact CD1-CG 4.43Å; L47-D60 WeakPolarHBondContact CA-O 3.49Å; L47-L61 HydrophobicContact CB-CD1 4.17Å; L47-L61 HydrophobicContact CD1-CB 4.27Å; L47-L61 HydrophobicContact CD1-CD1 4.18Å; L47-M84 HydrophobicContact CD2-SD 4.22Å; L47-L88 HydrophobicContact CD1-CD1 4.24Å; L47-L88 HydrophobicContact CD2-CD1 4.19Å |
| 48 | N | 95.9 | Very high | 88.1 | Confident | 11 Ų | 11 | 28.4 Ų | 28.4 | 6% | 0.059 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 124.1 | 167.4 | -174.4 | 50.6 | 0 | 0 | 0 | 109.4 | L17 I50 D60 Y109 N361 | L17-N48 HydrophobicContact CD1-CB 3.85Å; N48-I50 WeakPolarHBondContact ND2-CD1 3.31Å; N48-I50 WeakPolarHBondContact ND2-CG1 3.31Å; N48-D60 HydrophobicContact CB-CB 4.29Å; N48-D60 PolarHBondContact N-O 2.97Å; N48-D60 PolarHBondContact O-N 3.1Å; N48-Y109 HydrophobicContact CB-CE1 3.99Å; N48-Y109 HydrophobicContact CB-CE2 4.08Å; N48-Y109 WeakPolarHBondContact ND2-CE1 3.49Å; N48-N361 PolarHBondContact ND2-OD1 2.87Å |
| 49 | T | 93.8 | Very high | 88.2 | Confident | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.012 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 121.6 | -179.9 | -58.8 | 0 | 0 | 0 | 0 | 109.8 | G12 N14 P15 G16 L57 Q58 Y59 | G12-T49 WeakPolarHBondContact CA-OG1 3.28Å; N14-T49 WeakPolarHBondContact O-CB 2.99Å; P15-T49 CarbonylContact C-O 3.57Å; P15-T49 WeakPolarHBondContact CA-O 3.45Å; G16-T49 PolarHBondContact N-O 3.25Å; G16-T49 PolarHBondContact O-N 3.37Å; T49-L57 HydrophobicContact CG2-CB 4.26Å; T49-L57 HydrophobicContact CG2-CD1 4.21Å; T49-L57 HydrophobicContact CG2-CD2 4.12Å; T49-L57 HydrophobicContact CG2-CG 4.43Å; T49-Q58 WeakPolarHBondContact CA-O 2.99Å; T49-Y59 HydrophobicContact CG2-CD1 3.99Å; T49-Y59 HydrophobicContact CG2-CE1 3.63Å |
| 50 | I | 86.9 | Confident | 88.3 | Confident | 7 Ų | 7 | 28.5 Ų | 28.5 | 4% | 0.036 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 130 | -177.3 | -57.2 | 173.7 | 0 | 0 | 0 | 108.8 | N48 Q52 Q58 N361 A364 | N48-I50 WeakPolarHBondContact ND2-CD1 3.31Å; N48-I50 WeakPolarHBondContact ND2-CG1 3.31Å; I50-Q52 PolarHBondContact O-N 2.68Å; I50-Q58 HydrophobicContact CB-CB 4.27Å; I50-Q58 PolarHBondContact N-O 3.26Å; I50-Q58 PolarHBondContact O-N 3.3Å; I50-N361 HydrophobicContact CD1-CB 3.85Å; I50-A364 HydrophobicContact CG2-CB 3.83Å |
| 51 | K | 83.4 | Confident | 88.6 | Confident | 137 Ų | 137 | 27.9 Ų | 27.9 | 60% | 0.596 | 15% | 0.151 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 117.7 | 171.7 | -168.4 | 173.5 | -179.5 | -179.6 | 0 | 109.5 | P15 L57 | P15-K51 HydrophobicContact CB-CB 4.42Å; P15-K51 HydrophobicContact CG-CB 3.7Å; P15-K51 HydrophobicContact CG-CD 4.45Å; K51-L57 HydrophobicContact CB-CD2 4.31Å; K51-L57 HydrophobicContact CG-CD2 4.41Å |
| 52 | Q | 74.6 | Confident | 89 | Confident | 24 Ų | 24 | 27.3 Ų | 27.3 | 11% | 0.112 | 15% | 0.146 | C | C | . | . | trans | -73.9 | 157.8 | 173.2 | -61.9 | -174.8 | -7.2 | 0 | 0 | 111.1 | I50 S54 G55 N56 Q58 A357 I359 | I50-Q52 PolarHBondContact O-N 2.68Å; Q52-S54 WeakPolarHBondContact CB-OG 3.04Å; Q52-S54 PolarHBondContact O-N 2.74Å; Q52-S54 PolarHBondContact OE1-OG 3.4Å; Q52-G55 WeakPolarHBondContact O-CA 3.43Å; Q52-G55 PolarHBondContact O-N 2.88Å; Q52-N56 WeakPolarHBondContact CB-O 3.26Å; Q52-N56 PolarHBondContact N-O 2.83Å; Q52-Q58 HydrophobicContact CG-CB 4.13Å; Q52-A357 PolarHBondContact NE2-O 2.63Å; Q52-I359 HydrophobicContact CB-CD1 4.35Å | ||
| 53 | R | 68.5 | Low | 89 | Confident | 86 Ų | 86 | 27.6 Ų | 27.6 | 33% | 0.325 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -30.4 | 174.9 | -65 | 171.3 | -171.6 | -100.3 | -6 | 112.7 | G55 L354 I359 I366 K368 D621 | R53-G55 PolarHBondContact O-N 2.87Å; R53-L354 WeakPolarHBondContact CB-O 3.36Å; R53-I359 HydrophobicContact CG-CD1 4.01Å; R53-I366 PolarHBondContact NH2-O 3.02Å; R53-K368 VanDerWaalsContact CZ-CE 3.47Å; R53-K368 VanDerWaalsContact NH1-CB 3.27Å; R53-D621 IonicContact NE-OD1 3Å |
| 54 | S | 68.6 | Low | 89.1 | Confident | 73 Ų | 73 | 27.6 Ų | 27.6 | 51% | 0.51 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -13.3 | 171.7 | 60.9 | 0 | 0 | 0 | 0 | 113.8 | Q52 N56 | Q52-S54 WeakPolarHBondContact CB-OG 3.04Å; Q52-S54 PolarHBondContact O-N 2.74Å; Q52-S54 PolarHBondContact OE1-OG 3.4Å; S54-N56 VanDerWaalsContact C-N 3.34Å; S54-N56 PolarHBondContact OG-N 3.22Å |
| 55 | G | 75.9 | Confident | 88.9 | Confident | 43 Ų | 43 | 28.4 Ų | 28.4 | 44% | 0.443 | 15% | 0.151 | S | C | . | . | S | Bend | trans | 90.8 | -11.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114 | Q52 R53 | Q52-G55 WeakPolarHBondContact O-CA 3.43Å; Q52-G55 PolarHBondContact O-N 2.88Å; R53-G55 PolarHBondContact O-N 2.87Å |
| 56 | N | 82.4 | Confident | 88.7 | Confident | 103 Ų | 103 | 28.6 Ų | 28.6 | 55% | 0.551 | 15% | 0.153 | S | C | * | . | trans | -70 | 158.1 | 175.5 | -69.3 | -27.8 | 0 | 0 | 0 | 111.9 | Q52 S54 | Q52-N56 WeakPolarHBondContact CB-O 3.26Å; Q52-N56 PolarHBondContact N-O 2.83Å; S54-N56 VanDerWaalsContact C-N 3.34Å; S54-N56 PolarHBondContact OG-N 3.22Å | ||
| 57 | L | 88.1 | Confident | 88.2 | Confident | 49 Ų | 49 | 33.3 Ų | 33.3 | 26% | 0.257 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 134.3 | 172.3 | -61.8 | -179.8 | 0 | 0 | 0 | 110.3 | G12 P15 T49 K51 Y59 | G12-L57 WeakPolarHBondContact O-CD1 3.3Å; P15-L57 HydrophobicContact CG-CD2 4.31Å; T49-L57 HydrophobicContact CG2-CB 4.26Å; T49-L57 HydrophobicContact CG2-CD1 4.21Å; T49-L57 HydrophobicContact CG2-CD2 4.12Å; T49-L57 HydrophobicContact CG2-CG 4.43Å; K51-L57 HydrophobicContact CB-CD2 4.31Å; K51-L57 HydrophobicContact CG-CD2 4.41Å; L57-Y59 HydrophobicContact CB-CE1 4.06Å; L57-Y59 HydrophobicContact CB-CE2 4.2Å; L57-Y59 WeakPolarHBondContact CB-OH 3.45Å; L57-Y59 WeakPolarHBondContact CD1-OH 3.22Å |
| 58 | Q | 88.6 | Confident | 87.8 | Confident | 10 Ų | 10 | 40.9 Ų | 40.9 | 5% | 0.047 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 146.6 | 170 | 174.7 | -177.3 | -50.4 | 0 | 0 | 109.4 | T49 I50 Q52 Y358 I359 | T49-Q58 WeakPolarHBondContact CA-O 2.99Å; I50-Q58 HydrophobicContact CB-CB 4.27Å; I50-Q58 PolarHBondContact N-O 3.26Å; I50-Q58 PolarHBondContact O-N 3.3Å; Q52-Q58 HydrophobicContact CG-CB 4.13Å; Q58-Y358 HydrophobicContact CG-CD2 4.19Å; Q58-Y358 VanDerWaalsContact OE1-CA 3.23Å; Q58-I359 PolarHBondContact NE2-O 2.88Å |
| 59 | Y | 93.9 | Very high | 87.4 | Confident | 28 Ų | 28 | 41.7 Ų | 41.7 | 11% | 0.11 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 119.4 | -175.8 | -57 | -65.8 | 0 | 0 | 0 | 110.4 | G12 L47 T49 L57 L88 K91 P92 I93 | G12-Y59 WeakPolarHBondContact O-CE1 3.44Å; G12-Y59 PolarHBondContact O-OH 3.44Å; G12-Y59 VanDerWaalsContact O-OH 3.07Å; L47-Y59 HydrophobicContact CD1-CD1 4.1Å; L47-Y59 HydrophobicContact CD1-CG 4.43Å; T49-Y59 HydrophobicContact CG2-CD1 3.99Å; T49-Y59 HydrophobicContact CG2-CE1 3.63Å; L57-Y59 HydrophobicContact CB-CE1 4.06Å; L57-Y59 HydrophobicContact CB-CE2 4.2Å; L57-Y59 WeakPolarHBondContact CB-OH 3.45Å; L57-Y59 WeakPolarHBondContact CD1-OH 3.22Å; Y59-L88 HydrophobicContact CD1-CD1 4.23Å; Y59-L88 HydrophobicContact CD2-CB 4.4Å; Y59-L88 HydrophobicContact CD2-CD1 4.36Å; Y59-L88 HydrophobicContact CE1-CD2 4.43Å; Y59-L88 HydrophobicContact CE2-CD2 4.35Å; Y59-L88 HydrophobicContact CG-CD1 4.08Å; Y59-K91 HydrophobicContact CD2-CB 4.41Å; Y59-P92 HydrophobicContact CD2-CG 4.39Å; Y59-P92 HydrophobicContact CG-CG 4.37Å; Y59-P92 WeakPolarHBondContact O-CA 3.29Å; Y59-I93 PolarHBondContact O-N 3.11Å |
| 60 | D | 93.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 113.5 | 165.9 | -69.5 | -53.2 | 0 | 0 | 0 | 107.8 | L47 N48 Y95 Y109 | L47-D60 WeakPolarHBondContact CA-O 3.49Å; N48-D60 HydrophobicContact CB-CB 4.29Å; N48-D60 PolarHBondContact N-O 2.97Å; N48-D60 PolarHBondContact O-N 3.1Å; D60-Y95 HydrophobicContact CB-CE2 3.73Å; D60-Y95 WeakPolarHBondContact OD1-CE2 3.47Å; D60-Y95 PolarHBondContact OD1-OH 2.76Å; D60-Y109 WeakPolarHBondContact CB-OH 3.17Å |
| 61 | L | 96.7 | Very high | 87 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 108 | -173.7 | -178.4 | 63.1 | 0 | 0 | 0 | 110.4 | L45 I46 L47 T81 M84 P92 I93 Q94 Y95 | L45-L61 HydrophobicContact CD1-CD1 4.22Å; L45-L61 HydrophobicContact CD2-CD1 4.3Å; L45-L61 HydrophobicContact CG-CD1 4.01Å; I46-L61 CarbonylContact O-C 3.52Å; I46-L61 WeakPolarHBondContact O-CA 3.18Å; L47-L61 HydrophobicContact CB-CD1 4.17Å; L47-L61 HydrophobicContact CD1-CB 4.27Å; L47-L61 HydrophobicContact CD1-CD1 4.18Å; L61-T81 HydrophobicContact CD2-CG2 3.85Å; L61-T81 WeakPolarHBondContact CD2-O 3.21Å; L61-T81 HydrophobicContact CG-CG2 4.08Å; L61-M84 HydrophobicContact CD1-CG 4.47Å; L61-M84 HydrophobicContact CD1-SD 3.58Å; L61-M84 VanDerWaalsContact CD1-SD 3.58Å; L61-M84 HydrophobicContact CD2-CB 3.98Å; L61-M84 HydrophobicContact CD2-CG 4.17Å; L61-M84 HydrophobicContact CD2-SD 4.33Å; L61-P92 HydrophobicContact CB-CB 3.94Å; L61-P92 HydrophobicContact CD2-CB 4.38Å; L61-I93 PolarHBondContact N-O 3.21Å; L61-Q94 CarbonylContact O-C 3.46Å; L61-Q94 WeakPolarHBondContact O-CA 3.39Å; L61-Y95 PolarHBondContact O-N 3.38Å |
| 62 | H | 97.1 | Very high | 87 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 148 | -179.5 | -50.2 | -110.9 | 0 | 0 | 0 | 109.8 | L45 I46 Y95 E97 F106 Y109 | L45-H62 WeakPolarHBondContact CA-O 3.29Å; I46-H62 HydrophobicContact CB-CB 4.17Å; I46-H62 HydrophobicContact CD1-CB 4.49Å; I46-H62 PolarHBondContact N-O 3.34Å; I46-H62 PolarHBondContact O-N 3.27Å; H62-Y95 WeakPolarHBondContact CA-O 3.38Å; H62-Y95 AromaticContact CD2-CD2 3.91Å; H62-Y95 AromaticContact CE1-CD1 3.84Å; H62-Y95 AromaticContact CE1-CD2 3.25Å; H62-Y95 WeakPolarHBondContact CE1-CD2 3.42Å; H62-Y95 AromaticContact CE1-CE2 3.69Å; H62-Y95 AromaticContact CE1-CG 3.34Å; H62-Y95 AromaticContact CG-CD2 3.95Å; H62-Y95 VanDerWaalsContact ND1-CB 3.25Å; H62-Y95 WeakPolarHBondContact ND1-CB 3.15Å; H62-Y95 AromaticContact ND1-CD2 3.59Å; H62-Y95 AromaticContact ND1-CG 3.41Å; H62-Y95 AromaticContact NE2-CD2 3.45Å; H62-Y95 WeakPolarHBondContact NE2-CD2 3.43Å; H62-Y95 AromaticContact NE2-CE2 3.69Å; H62-E97 HydrophobicContact CB-CG 3.91Å; H62-E97 IonicContact CE1-OE1 3.08Å; H62-E97 IonicContact CG-OE1 2.78Å; H62-E97 IonicContact ND1-OE1 2.88Å; H62-E97 PolarHBondContact ND1-OE1 3.05Å; H62-F106 HydrophobicContact CB-CD2 4.12Å; H62-F106 AromaticContact CG-CD2 4Å; H62-F106 AromaticContact ND1-CD2 3.9Å; H62-Y109 AromaticContact CD2-CE2 3.81Å; H62-Y109 AromaticContact CE1-CE2 3.9Å; H62-Y109 AromaticContact NE2-CE2 3.36Å; H62-Y109 WeakPolarHBondContact NE2-CE2 3.43Å; H62-Y109 AromaticContact NE2-CZ 3.62Å; H62-Y109 PolarHBondContact NE2-OH 3.08Å |
| 63 | F | 95.7 | Very high | 87.6 | Confident | 6 Ų | 6 | 51.7 Ų | 51.7 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 128.4 | 157.2 | 66.4 | -75.2 | 0 | 0 | 0 | 109.2 | Y44 L45 L65 A77 T81 Y95 R96 E97 L308 | Y44-F63 CarbonylContact O-C 3.51Å; Y44-F63 WeakPolarHBondContact O-CA 3.43Å; L45-F63 HydrophobicContact CD1-CB 4.02Å; F63-L65 HydrophobicContact CD2-CD1 4.43Å; F63-L65 HydrophobicContact CD2-CD2 4.01Å; F63-L65 HydrophobicContact CD2-CG 4.1Å; F63-L65 HydrophobicContact CE2-CD1 4.06Å; F63-L65 HydrophobicContact CE2-CD2 4.41Å; F63-L65 HydrophobicContact CE2-CG 4.23Å; F63-A77 HydrophobicContact CB-CB 4.24Å; F63-A77 HydrophobicContact CD2-CB 4.38Å; F63-T81 WeakPolarHBondContact CB-OG1 3.13Å; F63-T81 HydrophobicContact CD1-CG2 4.1Å; F63-T81 WeakPolarHBondContact CD1-OG1 3.39Å; F63-Y95 WeakPolarHBondContact CD1-O 3.48Å; F63-Y95 WeakPolarHBondContact CE1-O 3.45Å; F63-Y95 PolarHBondContact N-O 2.82Å; F63-R96 HydrophobicContact CE1-CB 3.69Å; F63-R96 HydrophobicContact CE1-CG 4.15Å; F63-R96 HydrophobicContact CE2-CB 4.25Å; F63-R96 HydrophobicContact CE2-CG 3.77Å; F63-R96 HydrophobicContact CZ-CB 3.46Å; F63-R96 VanDerWaalsContact CZ-CB 3.46Å; F63-R96 HydrophobicContact CZ-CG 3.41Å; F63-R96 VanDerWaalsContact CZ-CG 3.41Å; F63-E97 PolarHBondContact O-N 2.76Å; F63-L308 HydrophobicContact CE1-CD1 4.22Å; F63-L308 HydrophobicContact CE1-CD2 3.55Å; F63-L308 HydrophobicContact CZ-CD2 3.72Å |
| 64 | W | 96.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 134.8 | -177.1 | -177.7 | 98.8 | 0 | 0 | 0 | 110.1 | F38 Y39 A43 Y44 I46 G66 E97 Q99 E102 F106 Y116 | F38-W64 HydrophobicContact CB-CD2 4.42Å; F38-W64 HydrophobicContact CB-CE3 4.19Å; F38-W64 HydrophobicContact CB-CH2 3.67Å; F38-W64 HydrophobicContact CB-CZ2 3.92Å; F38-W64 HydrophobicContact CB-CZ3 3.82Å; F38-W64 HydrophobicContact CD1-CD2 4.32Å; F38-W64 HydrophobicContact CD1-CE3 4.29Å; F38-W64 HydrophobicContact CG-CD2 4.38Å; F38-W64 HydrophobicContact CG-CE3 4.46Å; Y39-W64 WeakPolarHBondContact O-CZ3 3.42Å; A43-W64 CarbonylContact C-O 3.51Å; A43-W64 VanDerWaalsContact CA-O 3.29Å; A43-W64 WeakPolarHBondContact CA-O 3.45Å; Y44-W64 AromaticContact CD2-CE3 3.71Å; Y44-W64 HydrophobicContact CD2-CE3 3.71Å; Y44-W64 HydrophobicContact CD2-CZ3 4.06Å; Y44-W64 HydrophobicContact CE2-CE3 4.24Å; Y44-W64 HydrophobicContact CE2-CZ3 4.13Å; Y44-W64 PolarHBondContact N-O 3.2Å; Y44-W64 PolarHBondContact O-N 2.93Å; I46-W64 HydrophobicContact CD1-CB 3.93Å; W64-G66 VanDerWaalsContact CH2-CA 3.43Å; W64-E97 CarbonylContact C-O 3.51Å; W64-E97 WeakPolarHBondContact CA-O 3.4Å; W64-E97 HydrophobicContact CB-CB 4.1Å; W64-E97 HydrophobicContact CG-CB 4.29Å; W64-Q99 HydrophobicContact CH2-CB 4.12Å; W64-Q99 HydrophobicContact CH2-CG 4.28Å; W64-Q99 HydrophobicContact CZ2-CB 3.55Å; W64-Q99 HydrophobicContact CZ2-CG 3.76Å; W64-E102 PolarHBondContact NE1-OE1 2.98Å; W64-F106 HydrophobicContact CB-CE2 4.43Å; W64-F106 HydrophobicContact CB-CZ 4.35Å; W64-F106 AromaticContact CD1-CE1 3.95Å; W64-F106 AromaticContact CD1-CZ 3.73Å; W64-F106 HydrophobicContact CG-CZ 4.22Å; W64-Y116 HydrophobicContact CZ2-CD1 4.01Å; W64-Y116 AromaticContact CZ2-CE1 3.83Å; W64-Y116 HydrophobicContact CZ2-CE1 3.83Å |
| 65 | L | 94.5 | Very high | 89.4 | Confident | 18 Ų | 18 | 47 Ų | 47 | 9% | 0.094 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 119 | -177 | -58.6 | -177.8 | 0 | 0 | 0 | 110.7 | A43 F63 A77 E97 Q99 | A43-L65 HydrophobicContact CB-CD2 3.86Å; F63-L65 HydrophobicContact CD2-CD1 4.43Å; F63-L65 HydrophobicContact CD2-CD2 4.01Å; F63-L65 HydrophobicContact CD2-CG 4.1Å; F63-L65 HydrophobicContact CE2-CD1 4.06Å; F63-L65 HydrophobicContact CE2-CD2 4.41Å; F63-L65 HydrophobicContact CE2-CG 4.23Å; L65-A77 HydrophobicContact CD2-CB 4.45Å; L65-E97 PolarHBondContact N-O 3.26Å; L65-Q99 PolarHBondContact O-N 2.81Å |
| 66 | G | 91.1 | Very high | 90.1 | Very high | 4 Ų | 4 | 45 Ų | 45 | 4% | 0.041 | 24% | 0.241 | C | C | . | . | trans | -72.1 | 152 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | T40 D42 W64 F68 C69 | T40-G66 CarbonylContact O-C 3.55Å; T40-G66 VanDerWaalsContact O-C 3.22Å; T40-G66 VanDerWaalsContact O-CA 3.3Å; T40-G66 WeakPolarHBondContact O-CA 3.16Å; D42-G66 PolarHBondContact O-N 2.87Å; W64-G66 VanDerWaalsContact CH2-CA 3.43Å; G66-F68 PolarHBondContact O-N 3.08Å; G66-F68 VanDerWaalsContact O-N 3.14Å; G66-C69 WeakPolarHBondContact O-CB 3.44Å; G66-C69 PolarHBondContact O-N 2.86Å; G66-C69 VanDerWaalsContact O-N 3.08Å; G66-C69 PolarHBondContact O-SG 2.82Å | ||
| 67 | D | 88.4 | Confident | 90.6 | Very high | 98 Ų | 98 | 40.1 Ų | 40.1 | 52% | 0.524 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -26.5 | -177.7 | -78 | -26.9 | 0 | 0 | 0 | 113.7 | T40 Q99 | T40-D67 PolarHBondContact O-N 2.84Å; D67-Q99 VanDerWaalsContact N-OE1 3.15Å; D67-Q99 PolarHBondContact OD2-NE2 3.39Å |
| 68 | F | 87.8 | Confident | 90.6 | Very high | 160 Ų | 160 | 39.1 Ų | 39.1 | 70% | 0.702 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.5 | 11.7 | -179.8 | -55.6 | -75.1 | 0 | 0 | 0 | 112.8 | T40 G66 | T40-F68 CarbonylContact O-C 3.54Å; T40-F68 WeakPolarHBondContact O-CA 3.4Å; T40-F68 PolarHBondContact O-N 2.83Å; G66-F68 PolarHBondContact O-N 3.08Å; G66-F68 VanDerWaalsContact O-N 3.14Å |
| 69 | C | 88.8 | Confident | 90.6 | Very high | 28 Ų | 28 | 42 Ų | 42 | 19% | 0.189 | 23% | 0.229 | C | C | . | . | trans | -64.3 | 144.6 | 177.6 | 76.1 | 0 | 0 | 0 | 0 | 111.7 | T40 G41 D42 G66 | T40-C69 PolarHBondContact O-N 2.9Å; G41-C69 WeakPolarHBondContact O-CA 3.19Å; D42-C69 WeakPolarHBondContact O-CB 3.15Å; G66-C69 WeakPolarHBondContact O-CB 3.44Å; G66-C69 PolarHBondContact O-N 2.86Å; G66-C69 VanDerWaalsContact O-N 3.08Å; G66-C69 PolarHBondContact O-SG 2.82Å | ||
| 70 | S | 86.8 | Confident | 90.6 | Very high | 48 Ų | 48 | 40.9 Ų | 40.9 | 34% | 0.336 | 22% | 0.224 | S | C | . | . | trans | -72 | 157.9 | 178.9 | 68.4 | 0 | 0 | 0 | 0 | 111.7 | D72 E73 S74 | S70-D72 PolarHBondContact O-N 3.09Å; S70-E73 WeakPolarHBondContact CB-OE2 3.48Å; S70-E73 PolarHBondContact N-OE2 2.93Å; S70-E73 VanDerWaalsContact N-OE2 3.15Å; S70-E73 PolarHBondContact O-N 2.96Å; S70-E73 WeakPolarHBondContact OG-CB 3.42Å; S70-E73 VanDerWaalsContact OG-CG 3.24Å; S70-E73 WeakPolarHBondContact OG-CG 3.27Å; S70-E73 PolarHBondContact OG-N 3.4Å; S70-E73 VanDerWaalsContact OG-N 3.13Å; S70-E73 PolarHBondContact OG-OE2 3.31Å; S70-S74 WeakPolarHBondContact O-CB 3.43Å; S70-S74 PolarHBondContact O-N 2.81Å; S70-S74 PolarHBondContact O-OG 3.31Å | ||
| 71 | Q | 84.6 | Confident | 90.6 | Very high | 171 Ų | 171 | 40.9 Ų | 40.9 | 80% | 0.799 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -62.4 | -32.5 | 175 | -171.4 | 174.5 | -3.6 | 0 | 0 | 111.8 | S74 G75 | Q71-S74 WeakPolarHBondContact CA-OG 3.38Å; Q71-S74 PolarHBondContact O-OG 2.95Å; Q71-S74 VanDerWaalsContact O-OG 3.05Å; Q71-G75 PolarHBondContact O-N 3.11Å |
| 72 | D | 84.8 | Confident | 90.3 | Very high | 139 Ų | 139 | 42.2 Ų | 42.2 | 74% | 0.743 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -72.1 | -42.9 | 178.8 | -66.6 | -26.1 | 0 | 0 | 0 | 111.4 | S70 G75 A76 | S70-D72 PolarHBondContact O-N 3.09Å; D72-G75 PolarHBondContact O-N 3.38Å; D72-A76 VanDerWaalsContact O-CB 3.3Å; D72-A76 WeakPolarHBondContact O-CB 3.35Å; D72-A76 PolarHBondContact O-N 2.94Å |
| 73 | E | 86.9 | Confident | 90 | Very high | 22 Ų | 22 | 45.2 Ų | 45.2 | 10% | 0.103 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.4 | -42.6 | 176.9 | -73.7 | 159.6 | 153 | 0 | 0 | 112.2 | A43 S70 G75 A76 A77 | A43-E73 HydrophobicContact CB-CB 4.34Å; S70-E73 WeakPolarHBondContact CB-OE2 3.48Å; S70-E73 PolarHBondContact N-OE2 2.93Å; S70-E73 VanDerWaalsContact N-OE2 3.15Å; S70-E73 PolarHBondContact O-N 2.96Å; S70-E73 WeakPolarHBondContact OG-CB 3.42Å; S70-E73 VanDerWaalsContact OG-CG 3.24Å; S70-E73 WeakPolarHBondContact OG-CG 3.27Å; S70-E73 PolarHBondContact OG-N 3.4Å; S70-E73 VanDerWaalsContact OG-N 3.13Å; S70-E73 PolarHBondContact OG-OE2 3.31Å; E73-G75 VanDerWaalsContact C-N 3.35Å; E73-A76 PolarHBondContact O-N 3.05Å; E73-A77 PolarHBondContact O-N 3.33Å |
| 74 | S | 87.3 | Confident | 89.9 | Confident | 28 Ų | 28 | 45 Ų | 45 | 20% | 0.196 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.5 | -39.4 | 175.1 | 55 | 0 | 0 | 0 | 0 | 112.2 | S70 Q71 A77 A78 | S70-S74 WeakPolarHBondContact O-CB 3.43Å; S70-S74 PolarHBondContact O-N 2.81Å; S70-S74 PolarHBondContact O-OG 3.31Å; Q71-S74 WeakPolarHBondContact CA-OG 3.38Å; Q71-S74 PolarHBondContact O-OG 2.95Å; Q71-S74 VanDerWaalsContact O-OG 3.05Å; S74-A77 PolarHBondContact O-N 2.88Å; S74-A78 PolarHBondContact O-N 3.15Å |
| 75 | G | 87.3 | Confident | 89.6 | Confident | 32 Ų | 32 | 45.2 Ų | 45.2 | 33% | 0.33 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.2 | -42.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q71 D72 E73 A78 I79 | Q71-G75 PolarHBondContact O-N 3.11Å; D72-G75 PolarHBondContact O-N 3.38Å; E73-G75 VanDerWaalsContact C-N 3.35Å; G75-A78 PolarHBondContact O-N 3.15Å; G75-I79 VanDerWaalsContact O-CG1 3.27Å; G75-I79 WeakPolarHBondContact O-CG1 3.43Å; G75-I79 PolarHBondContact O-N 2.99Å |
| 76 | A | 90.3 | Very high | 89.4 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 2% | 0.017 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V22 F25 D72 E73 A78 I79 F80 | V22-A76 HydrophobicContact CG1-CB 3.86Å; F25-A76 HydrophobicContact CD2-CB 3.48Å; F25-A76 VanDerWaalsContact CD2-CB 3.48Å; F25-A76 HydrophobicContact CE2-CB 3.67Å; F25-A76 HydrophobicContact CG-CB 4.44Å; D72-A76 VanDerWaalsContact O-CB 3.3Å; D72-A76 WeakPolarHBondContact O-CB 3.35Å; D72-A76 PolarHBondContact O-N 2.94Å; E73-A76 PolarHBondContact O-N 3.05Å; A76-A78 PolarHBondContact O-N 3.22Å; A76-I79 WeakPolarHBondContact O-CB 3.49Å; A76-I79 PolarHBondContact O-N 2.86Å; A76-F80 WeakPolarHBondContact O-CD2 3.09Å; A76-F80 PolarHBondContact O-N 2.93Å |
| 77 | A | 92.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58 | -47.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | V22 A43 F63 L65 E73 S74 I79 F80 T81 | V22-A77 HydrophobicContact CG2-CB 4.02Å; A43-A77 HydrophobicContact CB-CB 3.73Å; F63-A77 HydrophobicContact CB-CB 4.24Å; F63-A77 HydrophobicContact CD2-CB 4.38Å; L65-A77 HydrophobicContact CD2-CB 4.45Å; E73-A77 PolarHBondContact O-N 3.33Å; S74-A77 PolarHBondContact O-N 2.88Å; A77-I79 VanDerWaalsContact C-N 3.33Å; A77-I79 PolarHBondContact O-N 3.28Å; A77-F80 PolarHBondContact O-N 2.78Å; A77-T81 PolarHBondContact O-N 2.8Å; A77-T81 PolarHBondContact O-OG1 3.11Å |
| 78 | A | 88.3 | Confident | 89.5 | Confident | 28 Ų | 28 | 46.9 Ų | 46.9 | 23% | 0.231 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.2 | -39.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S74 G75 A76 T81 V82 L308 | S74-A78 PolarHBondContact O-N 3.15Å; G75-A78 PolarHBondContact O-N 3.15Å; A76-A78 PolarHBondContact O-N 3.22Å; A78-T81 PolarHBondContact O-N 2.98Å; A78-V82 WeakPolarHBondContact O-CG2 3.27Å; A78-V82 PolarHBondContact O-N 3.23Å; A78-V82 VanDerWaalsContact O-N 3.15Å; A78-L308 HydrophobicContact CB-CD1 4.31Å |
| 79 | I | 89.6 | Confident | 89.4 | Confident | 70 Ų | 70 | 42 Ų | 42 | 36% | 0.359 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.6 | -47.8 | 174.8 | -71.2 | 165 | 0 | 0 | 0 | 110.5 | F25 G75 A76 A77 T81 V82 Q83 | F25-I79 HydrophobicContact CE2-CD1 4.09Å; F25-I79 HydrophobicContact CZ-CD1 3.99Å; F25-I79 HydrophobicContact CZ-CG2 4.49Å; G75-I79 VanDerWaalsContact O-CG1 3.27Å; G75-I79 WeakPolarHBondContact O-CG1 3.43Å; G75-I79 PolarHBondContact O-N 2.99Å; A76-I79 WeakPolarHBondContact O-CB 3.49Å; A76-I79 PolarHBondContact O-N 2.86Å; A77-I79 VanDerWaalsContact C-N 3.33Å; A77-I79 PolarHBondContact O-N 3.28Å; I79-T81 VanDerWaalsContact C-N 3.32Å; I79-T81 PolarHBondContact O-N 2.86Å; I79-V82 PolarHBondContact O-N 2.84Å; I79-Q83 HydrophobicContact CG2-CG 4.26Å; I79-Q83 VanDerWaalsContact CG2-NE2 3.33Å; I79-Q83 WeakPolarHBondContact O-CB 3.29Å; I79-Q83 VanDerWaalsContact O-CG 3.29Å; I79-Q83 WeakPolarHBondContact O-CG 3.37Å; I79-Q83 PolarHBondContact O-N 3.02Å |
| 80 | F | 94.3 | Very high | 89.2 | Confident | 5 Ų | 5 | 40.9 Ų | 40.9 | 2% | 0.022 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.7 | -37.1 | 178.7 | -74.9 | -54.9 | 0 | 0 | 0 | 112.5 | H5 F8 V22 F25 L27 L45 A76 A77 Q83 M84 | H5-F80 AromaticContact CD2-CE1 3.83Å; F8-F80 HydrophobicContact CE1-CD1 4.4Å; F8-F80 HydrophobicContact CZ-CD1 4.25Å; V22-F80 HydrophobicContact CG1-CE2 4.41Å; V22-F80 HydrophobicContact CG2-CD2 4.42Å; F25-F80 WeakPolarHBondContact O-CZ 3.49Å; L27-F80 HydrophobicContact CD1-CB 4.3Å; L27-F80 HydrophobicContact CD1-CD1 3.94Å; L27-F80 HydrophobicContact CD1-CE1 4.38Å; L27-F80 HydrophobicContact CD1-CG 4.04Å; L27-F80 HydrophobicContact CD2-CB 4.23Å; L27-F80 HydrophobicContact CD2-CD2 3.7Å; L27-F80 HydrophobicContact CD2-CE2 4.13Å; L27-F80 HydrophobicContact CD2-CG 3.93Å; L27-F80 HydrophobicContact CG-CD1 4.03Å; L27-F80 HydrophobicContact CG-CD2 3.94Å; L27-F80 HydrophobicContact CG-CE1 4.15Å; L27-F80 HydrophobicContact CG-CE2 4.06Å; L27-F80 HydrophobicContact CG-CG 3.93Å; L27-F80 HydrophobicContact CG-CZ 4.16Å; L45-F80 HydrophobicContact CD2-CB 4.09Å; A76-F80 WeakPolarHBondContact O-CD2 3.09Å; A76-F80 PolarHBondContact O-N 2.93Å; A77-F80 PolarHBondContact O-N 2.78Å; F80-Q83 PolarHBondContact O-N 3.45Å; F80-M84 VanDerWaalsContact O-CB 3.24Å; F80-M84 WeakPolarHBondContact O-CB 3.33Å; F80-M84 PolarHBondContact O-N 2.8Å |
| 81 | T | 93.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.7 | -50 | 173.3 | -53 | 0 | 0 | 0 | 0 | 111.6 | L45 L61 F63 A77 A78 I79 Q83 M84 D85 Q94 | L45-T81 WeakPolarHBondContact CD1-OG1 3.37Å; L61-T81 HydrophobicContact CD2-CG2 3.85Å; L61-T81 WeakPolarHBondContact CD2-O 3.21Å; L61-T81 HydrophobicContact CG-CG2 4.08Å; F63-T81 WeakPolarHBondContact CB-OG1 3.13Å; F63-T81 HydrophobicContact CD1-CG2 4.1Å; F63-T81 WeakPolarHBondContact CD1-OG1 3.39Å; A77-T81 PolarHBondContact O-N 2.8Å; A77-T81 PolarHBondContact O-OG1 3.11Å; A78-T81 PolarHBondContact O-N 2.98Å; I79-T81 VanDerWaalsContact C-N 3.32Å; I79-T81 PolarHBondContact O-N 2.86Å; T81-Q83 PolarHBondContact O-N 3.39Å; T81-M84 PolarHBondContact O-N 3.32Å; T81-D85 WeakPolarHBondContact O-CB 3.39Å; T81-D85 PolarHBondContact O-N 2.69Å; T81-Q94 HydrophobicContact CG2-CB 4.14Å; T81-Q94 HydrophobicContact CG2-CG 4.01Å |
| 82 | V | 90.3 | Very high | 89.6 | Confident | 28 Ų | 28 | 37.1 Ų | 37.1 | 17% | 0.17 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65 | -41.6 | 179.6 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | A78 I79 D85 D86 K305 L308 | A78-V82 WeakPolarHBondContact O-CG2 3.27Å; A78-V82 PolarHBondContact O-N 3.23Å; A78-V82 VanDerWaalsContact O-N 3.15Å; I79-V82 PolarHBondContact O-N 2.84Å; V82-D85 PolarHBondContact O-N 3.09Å; V82-D86 PolarHBondContact O-N 2.96Å; V82-K305 HydrophobicContact CG1-CB 4.41Å; V82-K305 HydrophobicContact CG1-CG 4.1Å; V82-L308 HydrophobicContact CG2-CD1 3.89Å |
| 83 | Q | 91.3 | Very high | 89.9 | Confident | 63 Ų | 63 | 30.7 Ų | 30.7 | 29% | 0.294 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -68.9 | -36.9 | 180 | -70.2 | -179.7 | 2.2 | 0 | 0 | 112.6 | A3 F8 I79 F80 T81 F87 | A3-Q83 HydrophobicContact CB-CB 3.99Å; A3-Q83 HydrophobicContact CB-CG 4.03Å; F8-Q83 HydrophobicContact CE2-CB 3.66Å; F8-Q83 HydrophobicContact CZ-CB 3.74Å; I79-Q83 HydrophobicContact CG2-CG 4.26Å; I79-Q83 VanDerWaalsContact CG2-NE2 3.33Å; I79-Q83 WeakPolarHBondContact O-CB 3.29Å; I79-Q83 VanDerWaalsContact O-CG 3.29Å; I79-Q83 WeakPolarHBondContact O-CG 3.37Å; I79-Q83 PolarHBondContact O-N 3.02Å; F80-Q83 PolarHBondContact O-N 3.45Å; T81-Q83 PolarHBondContact O-N 3.39Å; Q83-F87 WeakPolarHBondContact O-CB 3.18Å; Q83-F87 PolarHBondContact O-N 3.5Å |
| 84 | M | 93.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -72.3 | -36.3 | 176 | -172.1 | 175.7 | -69.1 | 0 | 0 | 111.4 | F8 A11 W20 L27 L45 L47 L61 F80 T81 F87 L88 | F8-M84 HydrophobicContact CD1-CB 4.44Å; F8-M84 HydrophobicContact CD1-CE 3.52Å; F8-M84 HydrophobicContact CD1-CG 4.48Å; F8-M84 HydrophobicContact CE1-CB 3.94Å; F8-M84 HydrophobicContact CE1-CE 3.51Å; F8-M84 HydrophobicContact CE1-CG 4.41Å; F8-M84 HydrophobicContact CE2-CB 4.35Å; F8-M84 HydrophobicContact CZ-CB 3.89Å; A11-M84 HydrophobicContact CB-CE 4.13Å; A11-M84 HydrophobicContact CB-SD 4.15Å; W20-M84 HydrophobicContact CH2-CE 4.48Å; W20-M84 HydrophobicContact CZ3-CE 4.34Å; L27-M84 HydrophobicContact CD1-CE 4.14Å; L45-M84 HydrophobicContact CD2-CE 3.43Å; L45-M84 VanDerWaalsContact CD2-CE 3.43Å; L45-M84 HydrophobicContact CD2-SD 3.9Å; L47-M84 HydrophobicContact CD2-SD 4.22Å; L61-M84 HydrophobicContact CD1-CG 4.47Å; L61-M84 HydrophobicContact CD1-SD 3.58Å; L61-M84 VanDerWaalsContact CD1-SD 3.58Å; L61-M84 HydrophobicContact CD2-CB 3.98Å; L61-M84 HydrophobicContact CD2-CG 4.17Å; L61-M84 HydrophobicContact CD2-SD 4.33Å; F80-M84 VanDerWaalsContact O-CB 3.24Å; F80-M84 WeakPolarHBondContact O-CB 3.33Å; F80-M84 PolarHBondContact O-N 2.8Å; T81-M84 PolarHBondContact O-N 3.32Å; M84-F87 PolarHBondContact O-N 3.13Å; M84-L88 HydrophobicContact CG-CD1 4.02Å; M84-L88 HydrophobicContact CG-CG 4.46Å; M84-L88 WeakPolarHBondContact O-CB 3.19Å; M84-L88 WeakPolarHBondContact O-CG 3.18Å; M84-L88 PolarHBondContact O-N 3.24Å |
| 85 | D | 90.8 | Very high | 90.5 | Very high | 5 Ų | 5 | 28.7 Ų | 28.7 | 3% | 0.027 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56 | -52.4 | 168.5 | -177.4 | 54.4 | 0 | 0 | 0 | 111.1 | T81 V82 F87 L88 G89 G90 P92 Q94 K295 | T81-D85 WeakPolarHBondContact O-CB 3.39Å; T81-D85 PolarHBondContact O-N 2.69Å; V82-D85 PolarHBondContact O-N 3.09Å; D85-F87 VanDerWaalsContact C-N 3.29Å; D85-F87 PolarHBondContact O-N 2.73Å; D85-L88 CarbonylContact O-C 3.58Å; D85-L88 PolarHBondContact O-N 2.92Å; D85-G89 PolarHBondContact O-N 2.86Å; D85-G90 WeakPolarHBondContact O-CA 3.42Å; D85-G90 PolarHBondContact O-N 2.8Å; D85-G90 WeakPolarHBondContact OD1-CA 3.5Å; D85-P92 VanDerWaalsContact OD1-CD 3.24Å; D85-P92 WeakPolarHBondContact OD1-CD 3.26Å; D85-Q94 VanDerWaalsContact CB-NE2 3.31Å; D85-Q94 PolarHBondContact OD1-NE2 3.15Å; D85-Q94 PolarHBondContact OD2-NE2 3.03Å; D85-K295 IonicContact OD1-NZ 3.65Å; D85-K295 IonicContact OD2-NZ 2.6Å; D85-K295 PolarHBondContact OD2-NZ 3.27Å |
| 86 | D | 89.3 | Confident | 90.8 | Very high | 60 Ų | 60 | 28.9 Ų | 28.9 | 32% | 0.321 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -56.7 | -42.7 | 175.7 | -86.3 | -0.6 | 0 | 0 | 0 | 111.6 | V82 G89 K305 | V82-D86 PolarHBondContact O-N 2.96Å; D86-G89 PolarHBondContact O-N 2.98Å; D86-K305 WeakPolarHBondContact OD2-CE 3.37Å; D86-K305 IonicContact OD2-NZ 2.8Å; D86-K305 PolarHBondContact OD2-NZ 3.24Å |
| 87 | F | 91.1 | Very high | 91 | Very high | 77 Ų | 77 | 28.8 Ų | 28.8 | 34% | 0.338 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -64.4 | -40.4 | 178.9 | -179.7 | -93.1 | 0 | 0 | 0 | 112.6 | A2 F8 Q83 M84 D85 G89 | A2-F87 HydrophobicContact CB-CD2 4.39Å; F8-F87 HydrophobicContact CB-CD1 3.98Å; F8-F87 HydrophobicContact CB-CD2 4.05Å; F8-F87 HydrophobicContact CB-CE1 4.13Å; F8-F87 HydrophobicContact CB-CE2 4.19Å; F8-F87 HydrophobicContact CB-CG 3.95Å; F8-F87 HydrophobicContact CB-CZ 4.23Å; F8-F87 HydrophobicContact CD2-CB 3.85Å; F8-F87 HydrophobicContact CD2-CD2 4.21Å; F8-F87 AromaticContact CD2-CG 4Å; F8-F87 HydrophobicContact CD2-CG 4Å; F8-F87 HydrophobicContact CE2-CB 4.41Å; F8-F87 HydrophobicContact CG-CG 4.36Å; F8-F87 WeakPolarHBondContact O-CE1 3.34Å; F8-F87 WeakPolarHBondContact O-CZ 3.28Å; Q83-F87 WeakPolarHBondContact O-CB 3.18Å; Q83-F87 PolarHBondContact O-N 3.5Å; M84-F87 PolarHBondContact O-N 3.13Å; D85-F87 VanDerWaalsContact C-N 3.29Å; D85-F87 PolarHBondContact O-N 2.73Å; F87-G89 PolarHBondContact O-N 2.79Å |
| 88 | L | 90.5 | Very high | 90.9 | Very high | 19 Ų | 19 | 29.8 Ų | 29.8 | 10% | 0.099 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 12.2 | 177.1 | -63.8 | 173.4 | 0 | 0 | 0 | 112.8 | L47 Y59 M84 D85 P92 | L47-L88 HydrophobicContact CD1-CD1 4.24Å; L47-L88 HydrophobicContact CD2-CD1 4.19Å; Y59-L88 HydrophobicContact CD1-CD1 4.23Å; Y59-L88 HydrophobicContact CD2-CB 4.4Å; Y59-L88 HydrophobicContact CD2-CD1 4.36Å; Y59-L88 HydrophobicContact CE1-CD2 4.43Å; Y59-L88 HydrophobicContact CE2-CD2 4.35Å; Y59-L88 HydrophobicContact CG-CD1 4.08Å; M84-L88 HydrophobicContact CG-CD1 4.02Å; M84-L88 HydrophobicContact CG-CG 4.46Å; M84-L88 WeakPolarHBondContact O-CB 3.19Å; M84-L88 WeakPolarHBondContact O-CG 3.18Å; M84-L88 PolarHBondContact O-N 3.24Å; D85-L88 CarbonylContact O-C 3.58Å; D85-L88 PolarHBondContact O-N 2.92Å; L88-P92 HydrophobicContact CB-CG 3.64Å; L88-P92 HydrophobicContact CD1-CG 3.6Å; L88-P92 HydrophobicContact CG-CG 4.25Å |
| 89 | G | 87.4 | Confident | 91 | Very high | 56 Ų | 56 | 29.2 Ų | 29.2 | 58% | 0.577 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.2 | 23.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | D85 D86 F87 K91 | D85-G89 PolarHBondContact O-N 2.86Å; D86-G89 PolarHBondContact O-N 2.98Å; F87-G89 PolarHBondContact O-N 2.79Å; G89-K91 PolarHBondContact O-N 2.92Å |
| 90 | G | 84.4 | Confident | 90.5 | Very high | 6 Ų | 6 | 27.1 Ų | 27.1 | 6% | 0.062 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 16.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.2 | D85 P330 | D85-G90 WeakPolarHBondContact O-CA 3.42Å; D85-G90 PolarHBondContact O-N 2.8Å; D85-G90 WeakPolarHBondContact OD1-CA 3.5Å; G90-P330 WeakPolarHBondContact O-CB 3.36Å |
| 91 | K | 86.6 | Confident | 90 | Very high | 139 Ų | 139 | 31 Ų | 31 | 60% | 0.604 | 17% | 0.169 | S | C | * | . | trans | -82 | -31.6 | 179.6 | -62.3 | 179.7 | -179.9 | 179.8 | 0 | 114.4 | Y59 G89 | Y59-K91 HydrophobicContact CD2-CB 4.41Å; G89-K91 PolarHBondContact O-N 2.92Å | ||
| 92 | P | 92.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | P | Polyproline II helix | trans | -57.3 | 140.5 | -179.5 | -29.1 | 34.7 | 0 | 0 | 0 | 114.7 | Y59 L61 D85 L88 | Y59-P92 HydrophobicContact CD2-CG 4.39Å; Y59-P92 HydrophobicContact CG-CG 4.37Å; Y59-P92 WeakPolarHBondContact O-CA 3.29Å; L61-P92 HydrophobicContact CB-CB 3.94Å; L61-P92 HydrophobicContact CD2-CB 4.38Å; D85-P92 VanDerWaalsContact OD1-CD 3.24Å; D85-P92 WeakPolarHBondContact OD1-CD 3.26Å; L88-P92 HydrophobicContact CB-CG 3.64Å; L88-P92 HydrophobicContact CD1-CG 3.6Å; L88-P92 HydrophobicContact CG-CG 4.25Å |
| 93 | I | 91.1 | Very high | 89.4 | Confident | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 127.2 | 161.6 | -62.1 | 160.9 | 0 | 0 | 0 | 106.9 | Y59 L61 Y95 Q327 I328 L329 G333 T335 Y358 | Y59-I93 PolarHBondContact O-N 3.11Å; L61-I93 PolarHBondContact N-O 3.21Å; I93-Y95 HydrophobicContact CB-CE2 3.96Å; I93-Y95 HydrophobicContact CG2-CD2 4.23Å; I93-Y95 HydrophobicContact CG2-CE1 4.28Å; I93-Y95 HydrophobicContact CG2-CE2 3.45Å; I93-Y95 VanDerWaalsContact CG2-CE2 3.45Å; I93-Y95 VanDerWaalsContact CG2-CZ 3.47Å; I93-Y95 WeakPolarHBondContact CG2-OH 3.44Å; I93-Q327 HydrophobicContact CG2-CG 3.9Å; I93-I328 WeakPolarHBondContact CA-O 3.44Å; I93-L329 HydrophobicContact CB-CD2 4.35Å; I93-L329 HydrophobicContact CD1-CD2 4.28Å; I93-L329 HydrophobicContact CG1-CD2 3.95Å; I93-L329 HydrophobicContact CG2-CD2 3.54Å; I93-G333 WeakPolarHBondContact CD1-O 3.49Å; I93-T335 HydrophobicContact CD1-CG2 3.68Å; I93-Y358 HydrophobicContact CD1-CD2 3.23Å; I93-Y358 HydrophobicContact CD1-CE2 3.28Å; I93-Y358 HydrophobicContact CD1-CG 4.37Å |
| 94 | Q | 94.1 | Very high | 89 | Confident | 5 Ų | 5 | 29.8 Ų | 29.8 | 2% | 0.023 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 141.9 | -176.3 | -50.5 | 167.7 | 25.3 | 0 | 0 | 111.1 | L61 T81 D85 K295 Q327 I328 | L61-Q94 CarbonylContact O-C 3.46Å; L61-Q94 WeakPolarHBondContact O-CA 3.39Å; T81-Q94 HydrophobicContact CG2-CB 4.14Å; T81-Q94 HydrophobicContact CG2-CG 4.01Å; D85-Q94 VanDerWaalsContact CB-NE2 3.31Å; D85-Q94 PolarHBondContact OD1-NE2 3.15Å; D85-Q94 PolarHBondContact OD2-NE2 3.03Å; Q94-K295 VanDerWaalsContact NE2-NZ 3.14Å; Q94-Q327 CarbonylContact O-C 3.58Å; Q94-Q327 WeakPolarHBondContact O-CA 3.44Å; Q94-I328 HydrophobicContact CB-CB 4.09Å; Q94-I328 PolarHBondContact N-O 2.85Å; Q94-I328 PolarHBondContact O-N 3.29Å |
| 95 | Y | 92.9 | Very high | 88.6 | Confident | 4 Ų | 4 | 31.2 Ų | 31.2 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 132.9 | 179.2 | -56.1 | -101.8 | 0 | 0 | 0 | 110.4 | D60 L61 H62 F63 I93 E97 T105 V326 Q327 | D60-Y95 HydrophobicContact CB-CE2 3.73Å; D60-Y95 WeakPolarHBondContact OD1-CE2 3.47Å; D60-Y95 PolarHBondContact OD1-OH 2.76Å; L61-Y95 PolarHBondContact O-N 3.38Å; H62-Y95 WeakPolarHBondContact CA-O 3.38Å; H62-Y95 AromaticContact CD2-CD2 3.91Å; H62-Y95 AromaticContact CE1-CD1 3.84Å; H62-Y95 AromaticContact CE1-CD2 3.25Å; H62-Y95 WeakPolarHBondContact CE1-CD2 3.42Å; H62-Y95 AromaticContact CE1-CE2 3.69Å; H62-Y95 AromaticContact CE1-CG 3.34Å; H62-Y95 AromaticContact CG-CD2 3.95Å; H62-Y95 VanDerWaalsContact ND1-CB 3.25Å; H62-Y95 WeakPolarHBondContact ND1-CB 3.15Å; H62-Y95 AromaticContact ND1-CD2 3.59Å; H62-Y95 AromaticContact ND1-CG 3.41Å; H62-Y95 AromaticContact NE2-CD2 3.45Å; H62-Y95 WeakPolarHBondContact NE2-CD2 3.43Å; H62-Y95 AromaticContact NE2-CE2 3.69Å; F63-Y95 WeakPolarHBondContact CD1-O 3.48Å; F63-Y95 WeakPolarHBondContact CE1-O 3.45Å; F63-Y95 PolarHBondContact N-O 2.82Å; I93-Y95 HydrophobicContact CB-CE2 3.96Å; I93-Y95 HydrophobicContact CG2-CD2 4.23Å; I93-Y95 HydrophobicContact CG2-CE1 4.28Å; I93-Y95 HydrophobicContact CG2-CE2 3.45Å; I93-Y95 VanDerWaalsContact CG2-CE2 3.45Å; I93-Y95 VanDerWaalsContact CG2-CZ 3.47Å; I93-Y95 WeakPolarHBondContact CG2-OH 3.44Å; Y95-E97 VanDerWaalsContact CB-OE1 3.29Å; Y95-E97 WeakPolarHBondContact CB-OE1 3.5Å; Y95-T105 HydrophobicContact CE1-CG2 4.34Å; Y95-V326 WeakPolarHBondContact CA-O 3.36Å; Y95-Q327 HydrophobicContact CD1-CB 4.42Å; Y95-Q327 HydrophobicContact CD1-CG 3.99Å; Y95-Q327 VanDerWaalsContact CE1-CD 3.49Å; Y95-Q327 HydrophobicContact CE1-CG 3.74Å; Y95-Q327 VanDerWaalsContact CZ-NE2 3.35Å; Y95-Q327 PolarHBondContact OH-NE2 2.94Å; Y95-Q327 VanDerWaalsContact OH-NE2 3.07Å |
| 96 | R | 94.1 | Very high | 88.6 | Confident | 35 Ų | 35 | 31 Ų | 31 | 13% | 0.132 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 113.7 | 167.7 | 179.5 | 175 | 176.7 | -83 | -4.7 | 108.8 | F63 V98 D312 K322 V326 | F63-R96 HydrophobicContact CE1-CB 3.69Å; F63-R96 HydrophobicContact CE1-CG 4.15Å; F63-R96 HydrophobicContact CE2-CB 4.25Å; F63-R96 HydrophobicContact CE2-CG 3.77Å; F63-R96 HydrophobicContact CZ-CB 3.46Å; F63-R96 VanDerWaalsContact CZ-CB 3.46Å; F63-R96 HydrophobicContact CZ-CG 3.41Å; F63-R96 VanDerWaalsContact CZ-CG 3.41Å; R96-V98 VanDerWaalsContact NH1-CG2 3.33Å; R96-D312 IonicContact NE-OD1 3.79Å; R96-K322 PolarHBondContact NH1-O 3.21Å; R96-K322 PolarHBondContact NH2-O 3.29Å; R96-V326 HydrophobicContact CB-CB 3.91Å; R96-V326 HydrophobicContact CB-CG2 4.47Å; R96-V326 PolarHBondContact N-O 2.69Å |
| 97 | E | 93.3 | Very high | 88.4 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 132.8 | 180 | -49.1 | -64.5 | 179.3 | 0 | 0 | 109.7 | H62 F63 W64 L65 Y95 E102 S103 F106 | H62-E97 HydrophobicContact CB-CG 3.91Å; H62-E97 IonicContact CE1-OE1 3.08Å; H62-E97 IonicContact CG-OE1 2.78Å; H62-E97 IonicContact ND1-OE1 2.88Å; H62-E97 PolarHBondContact ND1-OE1 3.05Å; F63-E97 PolarHBondContact O-N 2.76Å; W64-E97 CarbonylContact C-O 3.51Å; W64-E97 WeakPolarHBondContact CA-O 3.4Å; W64-E97 HydrophobicContact CB-CB 4.1Å; W64-E97 HydrophobicContact CG-CB 4.29Å; L65-E97 PolarHBondContact N-O 3.26Å; Y95-E97 VanDerWaalsContact CB-OE1 3.29Å; Y95-E97 WeakPolarHBondContact CB-OE1 3.5Å; E97-E102 HydrophobicContact CB-CG 4.43Å; E97-E102 WeakPolarHBondContact OE2-CA 3.45Å; E97-S103 WeakPolarHBondContact OE1-CB 3.33Å; E97-S103 PolarHBondContact OE1-OG 3.18Å; E97-S103 WeakPolarHBondContact OE2-CB 3.25Å; E97-S103 PolarHBondContact OE2-N 3.1Å; E97-S103 PolarHBondContact OE2-OG 3.39Å; E97-F106 HydrophobicContact CG-CB 4.2Å; E97-F106 HydrophobicContact CG-CD2 3.91Å; E97-F106 HydrophobicContact CG-CE2 4.47Å; E97-F106 HydrophobicContact CG-CG 4.08Å; E97-F106 WeakPolarHBondContact OE1-CB 3.28Å |
| 98 | V | 90.9 | Very high | 88 | Confident | 21 Ų | 21 | 25.3 Ų | 25.3 | 13% | 0.127 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 138.2 | 176.9 | -178.3 | 0 | 0 | 0 | 0 | 108.3 | R96 G100 H101 E102 | R96-V98 VanDerWaalsContact NH1-CG2 3.33Å; V98-G100 PolarHBondContact O-N 3.26Å; V98-H101 CarbonylContact O-C 3.46Å; V98-H101 PolarHBondContact O-N 2.94Å; V98-E102 PolarHBondContact O-N 3.38Å |
| 99 | Q | 89.6 | Confident | 87.9 | Confident | 16 Ų | 16 | 25.9 Ų | 25.9 | 8% | 0.075 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -44.4 | 125.3 | 178.6 | -177.3 | 175.8 | -47.1 | 0 | 0 | 112.2 | T40 W64 L65 D67 H101 E102 Y116 | T40-Q99 VanDerWaalsContact CG2-OE1 3.28Å; W64-Q99 HydrophobicContact CH2-CB 4.12Å; W64-Q99 HydrophobicContact CH2-CG 4.28Å; W64-Q99 HydrophobicContact CZ2-CB 3.55Å; W64-Q99 HydrophobicContact CZ2-CG 3.76Å; L65-Q99 PolarHBondContact O-N 2.81Å; D67-Q99 VanDerWaalsContact N-OE1 3.15Å; D67-Q99 PolarHBondContact OD2-NE2 3.39Å; Q99-H101 PolarHBondContact O-N 3.4Å; Q99-E102 WeakPolarHBondContact CA-OE1 3.32Å; Q99-Y116 HydrophobicContact CG-CD1 4.14Å; Q99-Y116 HydrophobicContact CG-CD2 4.1Å; Q99-Y116 HydrophobicContact CG-CE1 3.93Å; Q99-Y116 HydrophobicContact CG-CE2 3.87Å; Q99-Y116 HydrophobicContact CG-CG 4.25Å |
| 100 | G | 79.3 | Confident | 87.9 | Confident | 26 Ų | 26 | 23.8 Ų | 23.8 | 27% | 0.268 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | -12.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | V98 E102 Y116 R148 | V98-G100 PolarHBondContact O-N 3.26Å; G100-E102 WeakPolarHBondContact CA-OE2 3.48Å; G100-E102 VanDerWaalsContact N-CD 3.34Å; G100-E102 PolarHBondContact N-OE1 3.41Å; G100-E102 PolarHBondContact N-OE2 3.25Å; G100-Y116 WeakPolarHBondContact CA-OH 3.13Å; G100-Y116 PolarHBondContact N-OH 2.77Å; G100-R148 PolarHBondContact O-NH2 2.94Å; G100-R148 VanDerWaalsContact O-NH2 3.14Å |
| 101 | H | 83.4 | Confident | 87.3 | Confident | 86 Ų | 86 | 27.4 Ų | 27.4 | 40% | 0.398 | 13% | 0.134 | S | C | . | . | trans | -129.3 | 33.2 | -178.4 | -62.5 | -89.6 | 0 | 0 | 0 | 111.4 | V98 Q99 H323 | V98-H101 CarbonylContact O-C 3.46Å; V98-H101 PolarHBondContact O-N 2.94Å; Q99-H101 PolarHBondContact O-N 3.4Å; H101-H323 HydrophobicContact CB-CB 3.83Å; H101-H323 AromaticContact CD2-CG 3.71Å; H101-H323 AromaticContact CE1-CD2 3.62Å; H101-H323 AromaticContact CE1-CE1 3.72Å; H101-H323 AromaticContact CE1-CG 3.66Å; H101-H323 AromaticContact CE1-ND1 3.72Å; H101-H323 AromaticContact CE1-NE2 3.71Å; H101-H323 AromaticContact CG-CD2 3.86Å; H101-H323 AromaticContact CG-CG 3.7Å; H101-H323 AromaticContact ND1-CD2 3.44Å; H101-H323 PolarHBondContact ND1-CD2 3Å; H101-H323 AromaticContact ND1-CG 3.67Å; H101-H323 AromaticContact ND1-NE2 3.92Å; H101-H323 AromaticContact NE2-CE1 3.98Å; H101-H323 AromaticContact NE2-CG 3.67Å; H101-H323 AromaticContact NE2-ND1 3.59Å | ||
| 102 | E | 87.6 | Confident | 86.4 | Confident | 5 Ų | 5 | 23.8 Ų | 23.8 | 2% | 0.023 | 13% | 0.126 | C | C | . | . | trans | -68.3 | 146.6 | 179.2 | -55.9 | 83.9 | 178.4 | 0 | 0 | 112 | W64 E97 V98 Q99 G100 F106 L107 Y116 R148 | W64-E102 PolarHBondContact NE1-OE1 2.98Å; E97-E102 HydrophobicContact CB-CG 4.43Å; E97-E102 WeakPolarHBondContact OE2-CA 3.45Å; V98-E102 PolarHBondContact O-N 3.38Å; Q99-E102 WeakPolarHBondContact CA-OE1 3.32Å; G100-E102 WeakPolarHBondContact CA-OE2 3.48Å; G100-E102 VanDerWaalsContact N-CD 3.34Å; G100-E102 PolarHBondContact N-OE1 3.41Å; G100-E102 PolarHBondContact N-OE2 3.25Å; E102-F106 HydrophobicContact CB-CB 4.48Å; E102-F106 HydrophobicContact CB-CD1 3.63Å; E102-F106 HydrophobicContact CB-CE1 4.23Å; E102-F106 HydrophobicContact CB-CG 4.35Å; E102-F106 HydrophobicContact CG-CD1 3.73Å; E102-F106 HydrophobicContact CG-CE1 3.81Å; E102-L107 HydrophobicContact CB-CD1 4.3Å; E102-L107 HydrophobicContact CB-CD2 3.89Å; E102-L107 HydrophobicContact CB-CG 3.88Å; E102-L107 HydrophobicContact CG-CD2 4.43Å; E102-L107 VanDerWaalsContact O-CD1 3.32Å; E102-L107 WeakPolarHBondContact O-CD1 3.37Å; E102-Y116 VanDerWaalsContact CD-OH 3.32Å; E102-Y116 PolarHBondContact OE1-OH 3.3Å; E102-Y116 PolarHBondContact OE2-OH 2.82Å; E102-R148 IonicContact OE2-CZ 2.7Å; E102-R148 IonicContact OE2-NE 3.89Å; E102-R148 PolarHBondContact OE2-NE 2.82Å; E102-R148 IonicContact OE2-NH2 3.6Å; E102-R148 PolarHBondContact OE2-NH2 2.81Å | ||
| 103 | S | 84.4 | Confident | 85.4 | Confident | 3 Ų | 3 | 24.3 Ų | 24.3 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | trans | -61.4 | 149.9 | 176.1 | 77.6 | 0 | 0 | 0 | 0 | 111.7 | E97 T105 F106 L107 | E97-S103 WeakPolarHBondContact OE1-CB 3.33Å; E97-S103 PolarHBondContact OE1-OG 3.18Å; E97-S103 WeakPolarHBondContact OE2-CB 3.25Å; E97-S103 PolarHBondContact OE2-N 3.1Å; E97-S103 PolarHBondContact OE2-OG 3.39Å; S103-T105 PolarHBondContact O-N 3.31Å; S103-F106 PolarHBondContact O-N 3.41Å; S103-F106 VanDerWaalsContact O-N 3.09Å; S103-F106 PolarHBondContact OG-N 3.45Å; S103-L107 WeakPolarHBondContact O-CG 3.33Å; S103-L107 PolarHBondContact O-N 2.83Å | ||
| 104 | K | 82.2 | Confident | 85 | Confident | 57 Ų | 57 | 24.3 Ų | 24.3 | 25% | 0.248 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.5 | -30.1 | 175.9 | -61.8 | -66.5 | 179.8 | 166.5 | 0 | 112.3 | L107 G108 E640 E641 P643 | K104-L107 HydrophobicContact CD-CD1 4.5Å; K104-G108 PolarHBondContact O-N 3.03Å; K104-E640 IonicContact NZ-OE1 3.96Å; K104-E640 PolarHBondContact NZ-OE1 2.88Å; K104-E640 VanDerWaalsContact NZ-OE1 3.08Å; K104-E641 PolarHBondContact NZ-O 2.94Å; K104-P643 HydrophobicContact CB-CB 4.07Å; K104-P643 HydrophobicContact CD-CB 4.09Å; K104-P643 HydrophobicContact CD-CG 4.24Å; K104-P643 VanDerWaalsContact O-CB 3.23Å; K104-P643 WeakPolarHBondContact O-CB 3.49Å |
| 105 | T | 84.4 | Confident | 84.5 | Confident | 30 Ų | 30 | 25.2 Ų | 25.2 | 18% | 0.184 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.1 | -51.4 | 172.8 | -61.2 | 0 | 0 | 0 | 0 | 111.2 | Y95 S103 G108 Y109 | Y95-T105 HydrophobicContact CE1-CG2 4.34Å; S103-T105 PolarHBondContact O-N 3.31Å; T105-G108 PolarHBondContact O-N 3.07Å; T105-Y109 HydrophobicContact CG2-CE1 4.33Å; T105-Y109 VanDerWaalsContact CG2-OH 3.25Å; T105-Y109 WeakPolarHBondContact CG2-OH 3.24Å; T105-Y109 WeakPolarHBondContact O-CE1 3.41Å |
| 106 | F | 91.7 | Very high | 84.1 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.9 | -47.1 | 179.5 | 177.1 | -91.8 | 0 | 0 | 0 | 112.2 | F38 I46 H62 W64 E97 E102 S103 G108 Y109 F110 | F38-F106 HydrophobicContact CE1-CZ 4.21Å; F38-F106 HydrophobicContact CE2-CE1 4.27Å; F38-F106 AromaticContact CE2-CZ 3.85Å; F38-F106 HydrophobicContact CE2-CZ 3.85Å; F38-F106 HydrophobicContact CZ-CE1 4.41Å; F38-F106 HydrophobicContact CZ-CE2 4.33Å; F38-F106 AromaticContact CZ-CZ 3.56Å; F38-F106 HydrophobicContact CZ-CZ 3.56Å; I46-F106 HydrophobicContact CB-CE2 4.46Å; I46-F106 HydrophobicContact CD1-CE2 3.76Å; I46-F106 HydrophobicContact CD1-CZ 4.49Å; I46-F106 HydrophobicContact CG1-CE2 3.93Å; H62-F106 HydrophobicContact CB-CD2 4.12Å; H62-F106 AromaticContact CG-CD2 4Å; H62-F106 AromaticContact ND1-CD2 3.9Å; W64-F106 HydrophobicContact CB-CE2 4.43Å; W64-F106 HydrophobicContact CB-CZ 4.35Å; W64-F106 AromaticContact CD1-CE1 3.95Å; W64-F106 AromaticContact CD1-CZ 3.73Å; W64-F106 HydrophobicContact CG-CZ 4.22Å; E97-F106 HydrophobicContact CG-CB 4.2Å; E97-F106 HydrophobicContact CG-CD2 3.91Å; E97-F106 HydrophobicContact CG-CE2 4.47Å; E97-F106 HydrophobicContact CG-CG 4.08Å; E97-F106 WeakPolarHBondContact OE1-CB 3.28Å; E102-F106 HydrophobicContact CB-CB 4.48Å; E102-F106 HydrophobicContact CB-CD1 3.63Å; E102-F106 HydrophobicContact CB-CE1 4.23Å; E102-F106 HydrophobicContact CB-CG 4.35Å; E102-F106 HydrophobicContact CG-CD1 3.73Å; E102-F106 HydrophobicContact CG-CE1 3.81Å; S103-F106 PolarHBondContact O-N 3.41Å; S103-F106 VanDerWaalsContact O-N 3.09Å; S103-F106 PolarHBondContact OG-N 3.45Å; F106-G108 PolarHBondContact O-N 2.89Å; F106-Y109 WeakPolarHBondContact O-CB 3.45Å; F106-Y109 WeakPolarHBondContact O-CD2 3.34Å; F106-Y109 PolarHBondContact O-N 3.11Å; F106-Y109 VanDerWaalsContact O-N 3.11Å; F106-F110 HydrophobicContact CD1-CD2 4.48Å; F106-F110 HydrophobicContact CD1-CE2 4.24Å; F106-F110 HydrophobicContact CD2-CE2 4.34Å; F106-F110 HydrophobicContact CE1-CD2 4.19Å; F106-F110 AromaticContact CE1-CE2 3.8Å; F106-F110 HydrophobicContact CE1-CE2 3.8Å; F106-F110 AromaticContact CE2-CE2 3.92Å; F106-F110 HydrophobicContact CE2-CE2 3.92Å; F106-F110 HydrophobicContact CZ-CD2 4.46Å; F106-F110 AromaticContact CZ-CE2 3.65Å; F106-F110 HydrophobicContact CZ-CE2 3.65Å; F106-F110 HydrophobicContact CZ-CZ 4.43Å; F106-F110 WeakPolarHBondContact O-CD2 3.26Å |
| 107 | L | 85.6 | Confident | 83.6 | Confident | 9 Ų | 9 | 24.5 Ų | 24.5 | 5% | 0.047 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.9 | -31.6 | -179.7 | -65.3 | 168.2 | 0 | 0 | 0 | 112.2 | E102 S103 K104 Y109 F110 I114 V146 P643 | E102-L107 HydrophobicContact CB-CD1 4.3Å; E102-L107 HydrophobicContact CB-CD2 3.89Å; E102-L107 HydrophobicContact CB-CG 3.88Å; E102-L107 HydrophobicContact CG-CD2 4.43Å; E102-L107 VanDerWaalsContact O-CD1 3.32Å; E102-L107 WeakPolarHBondContact O-CD1 3.37Å; S103-L107 WeakPolarHBondContact O-CG 3.33Å; S103-L107 PolarHBondContact O-N 2.83Å; K104-L107 HydrophobicContact CD-CD1 4.5Å; L107-Y109 PolarHBondContact O-N 3.23Å; L107-F110 PolarHBondContact O-N 2.79Å; L107-F110 VanDerWaalsContact O-N 3.14Å; L107-I114 HydrophobicContact CD2-CD1 3.64Å; L107-I114 HydrophobicContact CD2-CG1 4.47Å; L107-V146 HydrophobicContact CB-CG1 4.29Å; L107-V146 HydrophobicContact CD1-CB 4.31Å; L107-V146 HydrophobicContact CD1-CG1 3.59Å; L107-V146 HydrophobicContact CD1-CG2 3.9Å; L107-V146 HydrophobicContact CD2-CG1 3.58Å; L107-V146 HydrophobicContact CG-CG1 4Å; L107-P643 HydrophobicContact CB-CB 4.24Å; L107-P643 HydrophobicContact CB-CG 4.09Å |
| 108 | G | 81.8 | Confident | 83 | Confident | 9 Ų | 9 | 28.8 Ų | 28.8 | 9% | 0.093 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -17.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | K104 T105 F106 | K104-G108 PolarHBondContact O-N 3.03Å; T105-G108 PolarHBondContact O-N 3.07Å; F106-G108 PolarHBondContact O-N 2.89Å |
| 109 | Y | 89.4 | Confident | 82.7 | Confident | 31 Ų | 31 | 28.7 Ų | 28.7 | 12% | 0.122 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -24.3 | 176 | -53.1 | -32 | 0 | 0 | 0 | 113 | L17 N48 D60 H62 T105 F106 L107 N361 | L17-Y109 HydrophobicContact CD1-CD2 3.92Å; L17-Y109 HydrophobicContact CD1-CE2 4.37Å; L17-Y109 HydrophobicContact CD1-CG 4.12Å; N48-Y109 HydrophobicContact CB-CE1 3.99Å; N48-Y109 HydrophobicContact CB-CE2 4.08Å; N48-Y109 WeakPolarHBondContact ND2-CE1 3.49Å; D60-Y109 WeakPolarHBondContact CB-OH 3.17Å; H62-Y109 AromaticContact CD2-CE2 3.81Å; H62-Y109 AromaticContact CE1-CE2 3.9Å; H62-Y109 AromaticContact NE2-CE2 3.36Å; H62-Y109 WeakPolarHBondContact NE2-CE2 3.43Å; H62-Y109 AromaticContact NE2-CZ 3.62Å; H62-Y109 PolarHBondContact NE2-OH 3.08Å; T105-Y109 HydrophobicContact CG2-CE1 4.33Å; T105-Y109 VanDerWaalsContact CG2-OH 3.25Å; T105-Y109 WeakPolarHBondContact CG2-OH 3.24Å; T105-Y109 WeakPolarHBondContact O-CE1 3.41Å; F106-Y109 WeakPolarHBondContact O-CB 3.45Å; F106-Y109 WeakPolarHBondContact O-CD2 3.34Å; F106-Y109 PolarHBondContact O-N 3.11Å; F106-Y109 VanDerWaalsContact O-N 3.11Å; L107-Y109 PolarHBondContact O-N 3.23Å; Y109-N361 HydrophobicContact CE1-CB 4.23Å |
| 110 | F | 86.6 | Confident | 82.5 | Confident | 13 Ų | 13 | 28 Ų | 28 | 6% | 0.057 | 15% | 0.153 | C | C | . | . | trans | -119.4 | 68.9 | -171.3 | -50.1 | -73 | 0 | 0 | 0 | 111.1 | L17 G36 F38 F106 L107 S112 G113 I114 | L17-F110 HydrophobicContact CD2-CE1 3.77Å; L17-F110 HydrophobicContact CD2-CZ 4Å; G36-F110 VanDerWaalsContact CA-CD1 3.48Å; G36-F110 VanDerWaalsContact N-CE1 3.35Å; F38-F110 HydrophobicContact CE2-CE2 4.15Å; F38-F110 HydrophobicContact CE2-CZ 4.21Å; F38-F110 HydrophobicContact CZ-CE1 4.42Å; F38-F110 AromaticContact CZ-CE2 3.97Å; F38-F110 HydrophobicContact CZ-CE2 3.97Å; F38-F110 AromaticContact CZ-CZ 3.75Å; F38-F110 HydrophobicContact CZ-CZ 3.75Å; F106-F110 HydrophobicContact CD1-CD2 4.48Å; F106-F110 HydrophobicContact CD1-CE2 4.24Å; F106-F110 HydrophobicContact CD2-CE2 4.34Å; F106-F110 HydrophobicContact CE1-CD2 4.19Å; F106-F110 AromaticContact CE1-CE2 3.8Å; F106-F110 HydrophobicContact CE1-CE2 3.8Å; F106-F110 AromaticContact CE2-CE2 3.92Å; F106-F110 HydrophobicContact CE2-CE2 3.92Å; F106-F110 HydrophobicContact CZ-CD2 4.46Å; F106-F110 AromaticContact CZ-CE2 3.65Å; F106-F110 HydrophobicContact CZ-CE2 3.65Å; F106-F110 HydrophobicContact CZ-CZ 4.43Å; F106-F110 WeakPolarHBondContact O-CD2 3.26Å; L107-F110 PolarHBondContact O-N 2.79Å; L107-F110 VanDerWaalsContact O-N 3.14Å; F110-S112 PolarHBondContact O-N 2.96Å; F110-S112 VanDerWaalsContact O-N 3.16Å; F110-G113 WeakPolarHBondContact O-CA 3.46Å; F110-G113 PolarHBondContact O-N 2.95Å; F110-I114 HydrophobicContact CB-CG2 3.81Å; F110-I114 HydrophobicContact CD2-CG2 3.76Å; F110-I114 HydrophobicContact CG-CG2 3.97Å | ||
| 111 | K | 71.6 | Confident | 82.7 | Confident | 82 Ų | 82 | 27.8 Ų | 27.8 | 36% | 0.357 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -26.4 | -177.5 | -76.8 | -64.8 | -160.8 | 171.1 | 0 | 114.7 | G113 P643 E645 D650 | K111-G113 PolarHBondContact O-N 2.88Å; K111-P643 PolarHBondContact NZ-O 3.12Å; K111-E645 WeakPolarHBondContact CE-O 3.27Å; K111-E645 PolarHBondContact NZ-O 2.97Å; K111-D650 IonicContact NZ-OD2 2.77Å |
| 112 | S | 68.9 | Low | 82.4 | Confident | 62 Ų | 62 | 28.3 Ų | 28.3 | 43% | 0.434 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -2 | 172.8 | 56.5 | 0 | 0 | 0 | 0 | 114 | F110 | F110-S112 PolarHBondContact O-N 2.96Å; F110-S112 VanDerWaalsContact O-N 3.16Å |
| 113 | G | 70.1 | Confident | 81.8 | Confident | 12 Ų | 12 | 31.3 Ų | 31.3 | 12% | 0.124 | 19% | 0.188 | C | C | . | . | trans | 90.1 | 166.2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F110 K111 V147 | F110-G113 WeakPolarHBondContact O-CA 3.46Å; F110-G113 PolarHBondContact O-N 2.95Å; K111-G113 PolarHBondContact O-N 2.88Å; G113-V147 VanDerWaalsContact CA-O 3.29Å; G113-V147 WeakPolarHBondContact CA-O 3.47Å | ||
| 114 | I | 82.9 | Confident | 81.4 | Confident | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.015 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 145.1 | 175 | 58.1 | 179.3 | 0 | 0 | 0 | 110.6 | G36 F38 L107 F110 Y116 V147 R148 A149 | G36-I114 CarbonylContact O-C 3.51Å; G36-I114 WeakPolarHBondContact O-CA 3.29Å; F38-I114 HydrophobicContact CE2-CG2 4.25Å; L107-I114 HydrophobicContact CD2-CD1 3.64Å; L107-I114 HydrophobicContact CD2-CG1 4.47Å; F110-I114 HydrophobicContact CB-CG2 3.81Å; F110-I114 HydrophobicContact CD2-CG2 3.76Å; F110-I114 HydrophobicContact CG-CG2 3.97Å; I114-Y116 HydrophobicContact CD1-CE1 3.7Å; I114-Y116 WeakPolarHBondContact CD1-OH 3.43Å; I114-Y116 HydrophobicContact CG1-CE1 4.15Å; I114-V147 PolarHBondContact N-O 2.98Å; I114-R148 HydrophobicContact CD1-CG 4.11Å; I114-R148 HydrophobicContact CG1-CB 4.48Å; I114-R148 HydrophobicContact CG1-CG 3.92Å; I114-A149 PolarHBondContact O-N 3.29Å |
| 115 | K | 83.8 | Confident | 80.9 | Confident | 24 Ų | 24 | 36.3 Ų | 36.3 | 10% | 0.104 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 120.3 | -178.9 | -63.8 | 178.6 | -67.4 | -172.8 | 0 | 110.2 | G36 F38 A149 E200 | G36-K115 PolarHBondContact O-N 2.99Å; F38-K115 PolarHBondContact N-O 2.81Å; K115-A149 CarbonylContact C-O 3.59Å; K115-A149 VanDerWaalsContact CA-O 3.28Å; K115-A149 WeakPolarHBondContact CA-O 3.42Å; K115-A149 HydrophobicContact CG-CB 4.14Å; K115-E200 IonicContact NZ-OE1 2.79Å; K115-E200 PolarHBondContact NZ-OE1 3.38Å |
| 116 | Y | 84.7 | Confident | 80.2 | Confident | 8 Ų | 8 | 41.2 Ų | 41.2 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 111.3 | 172.1 | -56.8 | -33.8 | 0 | 0 | 0 | 110.1 | F38 W64 Q99 G100 E102 I114 R148 A149 T150 E151 | F38-Y116 CarbonylContact O-C 3.48Å; F38-Y116 WeakPolarHBondContact O-CA 3.39Å; W64-Y116 HydrophobicContact CZ2-CD1 4.01Å; W64-Y116 AromaticContact CZ2-CE1 3.83Å; W64-Y116 HydrophobicContact CZ2-CE1 3.83Å; Q99-Y116 HydrophobicContact CG-CD1 4.14Å; Q99-Y116 HydrophobicContact CG-CD2 4.1Å; Q99-Y116 HydrophobicContact CG-CE1 3.93Å; Q99-Y116 HydrophobicContact CG-CE2 3.87Å; Q99-Y116 HydrophobicContact CG-CG 4.25Å; G100-Y116 WeakPolarHBondContact CA-OH 3.13Å; G100-Y116 PolarHBondContact N-OH 2.77Å; E102-Y116 VanDerWaalsContact CD-OH 3.32Å; E102-Y116 PolarHBondContact OE1-OH 3.3Å; E102-Y116 PolarHBondContact OE2-OH 2.82Å; I114-Y116 HydrophobicContact CD1-CE1 3.7Å; I114-Y116 WeakPolarHBondContact CD1-OH 3.43Å; I114-Y116 HydrophobicContact CG1-CE1 4.15Å; Y116-R148 HydrophobicContact CE2-CB 4.4Å; Y116-R148 WeakPolarHBondContact OH-CD 3.34Å; Y116-R148 PolarHBondContact OH-NE 3.49Å; Y116-A149 PolarHBondContact N-O 3.47Å; Y116-T150 HydrophobicContact CD2-CG2 4.34Å; Y116-E151 WeakPolarHBondContact O-CB 3.47Å; Y116-E151 PolarHBondContact O-N 2.81Å |
| 117 | M | 83.6 | Confident | 78.7 | Confident | 17 Ų | 17 | 42.5 Ų | 42.5 | 8% | 0.084 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 138 | -177 | -57.8 | -175.6 | -66.7 | 0 | 0 | 110 | F38 Y39 T40 H127 | F38-M117 PolarHBondContact O-N 3.07Å; Y39-M117 CarbonylContact C-O 3.57Å; Y39-M117 WeakPolarHBondContact CA-O 3.49Å; Y39-M117 HydrophobicContact CD1-CB 3.46Å; Y39-M117 VanDerWaalsContact CD1-CB 3.46Å; Y39-M117 HydrophobicContact CD1-CE 4.16Å; Y39-M117 HydrophobicContact CD2-CE 3.81Å; Y39-M117 HydrophobicContact CE1-CB 3.54Å; Y39-M117 HydrophobicContact CE1-CE 4.01Å; Y39-M117 HydrophobicContact CE1-CG 4.5Å; Y39-M117 HydrophobicContact CE1-SD 4.28Å; Y39-M117 HydrophobicContact CE2-CE 3.65Å; Y39-M117 HydrophobicContact CG-CB 4.23Å; Y39-M117 HydrophobicContact CG-CE 4.03Å; T40-M117 PolarHBondContact N-O 3.09Å; T40-M117 PolarHBondContact OG1-O 2.83Å; M117-H127 WeakPolarHBondContact CE-NE2 3.43Å |
| 118 | K | 80.9 | Confident | 77.2 | Confident | 90 Ų | 90 | 46.3 Ų | 46.3 | 39% | 0.391 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -71.4 | 146.9 | 175.8 | -79.6 | -174.2 | 176.5 | 179.4 | 0 | 111.1 | Y39 E151 | Y39-K118 WeakPolarHBondContact CD1-O 3.44Å; Y39-K118 WeakPolarHBondContact CE1-O 3.43Å; K118-E151 HydrophobicContact CB-CG 4.47Å; K118-E151 HydrophobicContact CD-CG 4.43Å; K118-E151 VanDerWaalsContact CE-O 3.24Å; K118-E151 WeakPolarHBondContact CE-O 3.46Å; K118-E151 HydrophobicContact CG-CB 4.22Å; K118-E151 HydrophobicContact CG-CG 4.23Å; K118-E151 PolarHBondContact N-OE2 2.85Å |
| 119 | G | 83.3 | Confident | 75.7 | Confident | 20 Ų | 20 | 50.1 Ų | 50.1 | 21% | 0.206 | 29% | 0.291 | C | S | . | . | trans | 96.1 | -161.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G41 S123 | G41-G119 WeakPolarHBondContact CA-O 3.22Å; G41-G119 PolarHBondContact N-O 2.89Å; G119-S123 VanDerWaalsContact CA-OG 3.24Å; G119-S123 WeakPolarHBondContact CA-OG 3.42Å | ||
| 120 | G | 85.6 | Confident | 73.7 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | trans | 166.8 | -171.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D42 A122 S123 G124 F125 | D42-G120 VanDerWaalsContact CG-CA 3.45Å; D42-G120 WeakPolarHBondContact OD1-CA 3.47Å; D42-G120 VanDerWaalsContact OD2-CA 3.23Å; D42-G120 WeakPolarHBondContact OD2-CA 3.31Å; G120-A122 VanDerWaalsContact C-N 3.32Å; G120-A122 PolarHBondContact O-N 2.97Å; G120-S123 PolarHBondContact N-OG 2.84Å; G120-S123 CarbonylContact O-C 3.52Å; G120-S123 PolarHBondContact O-N 3.37Å; G120-S123 VanDerWaalsContact O-N 3.12Å; G120-S123 PolarHBondContact O-OG 3.39Å; G120-G124 PolarHBondContact O-N 3.22Å; G120-G124 VanDerWaalsContact O-N 3.16Å; G120-F125 PolarHBondContact O-N 3.08Å | ||
| 121 | V | 83.9 | Confident | 71.8 | Confident | 22 Ų | 22 | 58.3 Ų | 58.3 | 13% | 0.133 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -59.4 | -45.2 | -178.6 | 177.7 | 0 | 0 | 0 | 0 | 110.2 | E23 D42 S123 G124 | E23-V121 HydrophobicContact CB-CG1 4.48Å; E23-V121 HydrophobicContact CB-CG2 4.05Å; E23-V121 HydrophobicContact CG-CG2 3.68Å; D42-V121 PolarHBondContact OD1-N 3.38Å; V121-S123 PolarHBondContact O-N 2.83Å; V121-G124 PolarHBondContact O-N 3.16Å |
| 122 | A | 77.3 | Confident | 70.9 | Confident | 97 Ų | 97 | 63.2 Ų | 63.2 | 80% | 0.802 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -60.9 | -26.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | G120 | G120-A122 VanDerWaalsContact C-N 3.32Å; G120-A122 PolarHBondContact O-N 2.97Å |
| 123 | S | 75.7 | Confident | 70.2 | Confident | 68 Ų | 68 | 64 Ų | 64 | 48% | 0.476 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -98.9 | 4.2 | 176.8 | 49.6 | 0 | 0 | 0 | 0 | 113.4 | G119 G120 V121 F125 | G119-S123 VanDerWaalsContact CA-OG 3.24Å; G119-S123 WeakPolarHBondContact CA-OG 3.42Å; G120-S123 PolarHBondContact N-OG 2.84Å; G120-S123 CarbonylContact O-C 3.52Å; G120-S123 PolarHBondContact O-N 3.37Å; G120-S123 VanDerWaalsContact O-N 3.12Å; G120-S123 PolarHBondContact O-OG 3.39Å; V121-S123 PolarHBondContact O-N 2.83Å; S123-F125 WeakPolarHBondContact OG-CD2 3.4Å |
| 124 | G | 75.5 | Confident | 69.9 | Low | 60 Ų | 60 | 70.4 Ų | 70.4 | 62% | 0.619 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.7 | 7.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | G120 V121 | G120-G124 PolarHBondContact O-N 3.22Å; G120-G124 VanDerWaalsContact O-N 3.16Å; V121-G124 PolarHBondContact O-N 3.16Å |
| 125 | F | 72 | Confident | 69.5 | Low | 104 Ų | 104 | 71.5 Ų | 71.5 | 46% | 0.456 | 41% | 0.41 | S | S | . | . | trans | -77.3 | 138.1 | 178.5 | -73.6 | -94.3 | 0 | 0 | 0 | 111.2 | R21 Y39 G120 S123 | R21-F125 PolarHBondContact NH1-O 2.89Å; R21-F125 PolarHBondContact NH2-O 3.06Å; Y39-F125 HydrophobicContact CD1-CB 4.39Å; Y39-F125 HydrophobicContact CE1-CB 3.84Å; Y39-F125 HydrophobicContact CE1-CD1 4.22Å; Y39-F125 HydrophobicContact CE1-CG 4.22Å; Y39-F125 HydrophobicContact CE2-CB 4.31Å; G120-F125 PolarHBondContact O-N 3.08Å; S123-F125 WeakPolarHBondContact OG-CD2 3.4Å | ||
| 126 | K | 69.1 | Low | 69.6 | Low | 134 Ų | 134 | 76 Ų | 76 | 58% | 0.583 | 43% | 0.432 | S | S | * | . | trans | -130.4 | 152.3 | 178 | -63 | -171.8 | 176.2 | -171.3 | 0 | 111.2 | V128 | K126-V128 HydrophobicContact CB-CG2 3.66Å; K126-V128 HydrophobicContact CD-CG2 4.26Å; K126-V128 PolarHBondContact O-N 3.03Å | ||
| 127 | H | 59.8 | Low | 69.7 | Low | 26 Ų | 26 | 77 Ų | 77 | 12% | 0.12 | 44% | 0.435 | C | S | . | . | trans | -73.7 | 74.7 | 164.2 | -74.8 | 63.4 | 0 | 0 | 0 | 109.2 | L34 G37 Y39 Y44 M117 | L34-H127 HydrophobicContact CD1-CB 4.08Å; G37-H127 PolarHBondContact O-NE2 2.81Å; Y39-H127 AromaticContact CD2-CE1 3.35Å; Y39-H127 WeakPolarHBondContact CD2-CE1 3.14Å; Y39-H127 AromaticContact CD2-ND1 3.71Å; Y39-H127 AromaticContact CE2-CE1 3.31Å; Y39-H127 WeakPolarHBondContact CE2-CE1 3.43Å; Y39-H127 AromaticContact CE2-ND1 3.38Å; Y39-H127 WeakPolarHBondContact CE2-ND1 3.38Å; Y44-H127 PolarHBondContact OH-CE1 3.03Å; M117-H127 WeakPolarHBondContact CE-NE2 3.43Å | ||
| 128 | V | 55 | Low | 70 | Confident | 90 Ų | 90 | 76.1 Ų | 76.1 | 55% | 0.545 | 43% | 0.431 | S | S | . | . | trans | -122.8 | 120 | 176.4 | -176.3 | 0 | 0 | 0 | 0 | 109.8 | K126 T130 | K126-V128 HydrophobicContact CB-CG2 3.66Å; K126-V128 HydrophobicContact CD-CG2 4.26Å; K126-V128 PolarHBondContact O-N 3.03Å; V128-T130 HydrophobicContact CG1-CG2 4.1Å; V128-T130 PolarHBondContact O-N 3.05Å; V128-T130 VanDerWaalsContact O-N 3.13Å | ||
| 129 | M | 49.6 | Very low | 69.9 | Low | 88 Ų | 88 | 72 Ų | 72 | 43% | 0.433 | 41% | 0.413 | S | S | . | . | trans | -71.1 | 99.7 | 167.6 | -65.8 | -101.2 | -78.2 | 0 | 0 | 108.1 | N33 L34 | N33-M129 WeakPolarHBondContact ND2-CE 3.37Å; N33-M129 PolarHBondContact ND2-SD 3.27Å; L34-M129 HydrophobicContact CD2-SD 4.46Å | ||
| 130 | T | 47.3 | Very low | 70 | Confident | 85 Ų | 85 | 73 Ų | 73 | 52% | 0.521 | 41% | 0.412 | S | S | . | . | trans | -100.2 | 130.2 | 165 | 37.3 | 0 | 0 | 0 | 0 | 108.2 | V128 E132 V133 | V128-T130 HydrophobicContact CG1-CG2 4.1Å; V128-T130 PolarHBondContact O-N 3.05Å; V128-T130 VanDerWaalsContact O-N 3.13Å; T130-E132 PolarHBondContact O-N 2.98Å; T130-E132 VanDerWaalsContact O-N 3.08Å; T130-V133 WeakPolarHBondContact OG1-CG2 3.04Å | ||
| 131 | N | 48.1 | Very low | 69.5 | Low | 131 Ų | 131 | 73 Ų | 73 | 70% | 0.701 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -66.2 | -10.1 | -173.6 | -79 | -29.3 | 0 | 0 | 0 | 114.1 | ||
| 132 | E | 52 | Low | 68.9 | Low | 186 Ų | 186 | 74.2 Ų | 74.2 | 87% | 0.869 | 42% | 0.416 | S | S | * | . | trans | -137.4 | 85.5 | 178 | -69.3 | -177.5 | 169.7 | 0 | 0 | 108.6 | T130 | T130-E132 PolarHBondContact O-N 2.98Å; T130-E132 VanDerWaalsContact O-N 3.08Å | ||
| 133 | V | 54.6 | Low | 68 | Low | 78 Ų | 78 | 70.5 Ų | 70.5 | 47% | 0.473 | 39% | 0.387 | S | S | . | . | trans | -111 | 123 | 164.2 | -173.5 | 0 | 0 | 0 | 0 | 107.2 | T130 V135 | T130-V133 WeakPolarHBondContact OG1-CG2 3.04Å; V133-V135 HydrophobicContact CB-CG2 3.77Å; V133-V135 HydrophobicContact CG1-CG2 3.67Å; V133-V135 PolarHBondContact O-N 2.88Å | ||
| 134 | T | 64.1 | Low | 67.2 | Low | 146 Ų | 146 | 69.1 Ų | 69.1 | 90% | 0.896 | 37% | 0.372 | S | S | * | . | trans | -66.1 | 90.8 | 160.8 | -47.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 135 | V | 74.1 | Confident | 66.5 | Low | 27 Ų | 27 | 67.2 Ų | 67.2 | 16% | 0.164 | 35% | 0.346 | C | S | . | . | trans | -87.9 | 130 | 178.6 | -177.8 | 0 | 0 | 0 | 0 | 108.2 | V133 R137 D168 L169 | V133-V135 HydrophobicContact CB-CG2 3.77Å; V133-V135 HydrophobicContact CG1-CG2 3.67Å; V133-V135 PolarHBondContact O-N 2.88Å; V135-R137 HydrophobicContact CG1-CG 4.02Å; V135-D168 HydrophobicContact CG1-CB 4.5Å; V135-L169 CarbonylContact O-C 3.56Å; V135-L169 VanDerWaalsContact O-C 3.28Å; V135-L169 VanDerWaalsContact O-CA 3.23Å; V135-L169 WeakPolarHBondContact O-CA 3.29Å | ||
| 136 | Q | 86.6 | Confident | 65.9 | Low | 118 Ų | 118 | 62.9 Ų | 62.9 | 55% | 0.551 | 33% | 0.328 | S | S | * | . | trans | -143.9 | 100.2 | 169.7 | -178.4 | 178.6 | -31.5 | 0 | 0 | 108.1 | V154 D168 L169 V222 | Q136-V154 HydrophobicContact CG-CG1 4.36Å; Q136-V154 HydrophobicContact CG-CG2 4.48Å; Q136-D168 WeakPolarHBondContact CA-O 3.43Å; Q136-L169 HydrophobicContact CB-CD2 4.47Å; Q136-L169 HydrophobicContact CG-CD2 4.03Å; Q136-V222 HydrophobicContact CG-CG1 4.44Å | ||
| 137 | R | 86 | Confident | 65.7 | Low | 28 Ų | 28 | 57 Ų | 57 | 11% | 0.106 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 157.9 | 179.8 | 64.1 | -177.8 | 176 | 179.7 | 0.3 | 111.4 | V135 E151 D168 E200 | V135-R137 HydrophobicContact CG1-CG 4.02Å; R137-E151 HydrophobicContact CB-CG 4.36Å; R137-D168 HydrophobicContact CG-CB 3.87Å; R137-D168 IonicContact CZ-OD2 3.32Å; R137-D168 VanDerWaalsContact CZ-OD2 3.29Å; R137-D168 PolarHBondContact N-O 3.42Å; R137-D168 VanDerWaalsContact N-O 3.14Å; R137-D168 IonicContact NE-OD2 3.74Å; R137-D168 PolarHBondContact NE-OD2 3.34Å; R137-D168 IonicContact NH2-OD2 3.71Å; R137-D168 PolarHBondContact NH2-OD2 3.35Å; R137-D168 PolarHBondContact O-N 3.19Å; R137-E200 IonicContact CZ-OE2 2.71Å; R137-E200 IonicContact NH1-OE2 2.77Å; R137-E200 IonicContact NH2-OE1 2.69Å; R137-E200 PolarHBondContact NH2-OE1 2.66Å; R137-E200 IonicContact NH2-OE2 2.99Å; R137-E200 PolarHBondContact NH2-OE2 2.92Å |
| 138 | V | 89.1 | Confident | 66.1 | Low | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 132.1 | 171.3 | 176.3 | 0 | 0 | 0 | 0 | 108.5 | E151 V152 V154 F159 F165 I166 L167 L223 | V138-E151 WeakPolarHBondContact O-CA 3.17Å; V138-V152 HydrophobicContact CB-CG2 3.9Å; V138-V152 HydrophobicContact CG1-CG2 3.52Å; V138-V152 PolarHBondContact O-N 2.69Å; V138-V154 HydrophobicContact CG2-CB 4.22Å; V138-V154 HydrophobicContact CG2-CG1 4.03Å; V138-V154 HydrophobicContact CG2-CG2 4.12Å; V138-F159 HydrophobicContact CG1-CE2 3.96Å; V138-F159 HydrophobicContact CG1-CZ 4.01Å; V138-F159 HydrophobicContact CG2-CE2 4.43Å; V138-F165 HydrophobicContact CG1-CB 4.47Å; V138-F165 HydrophobicContact CG1-CD1 4.08Å; V138-I166 CarbonylContact C-O 3.58Å; V138-I166 WeakPolarHBondContact CA-O 3.3Å; V138-L167 HydrophobicContact CG2-CB 4.42Å; V138-L167 HydrophobicContact CG2-CD1 3.58Å; V138-L223 HydrophobicContact CG2-CD2 4.42Å |
| 139 | L | 80.1 | Confident | 67 | Low | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 122.9 | 171.7 | -58.6 | 169.3 | 0 | 0 | 0 | 108.8 | A149 T150 E151 F165 I166 I196 | L139-A149 HydrophobicContact CB-CB 4.38Å; L139-T150 CarbonylContact C-O 3.51Å; L139-T150 WeakPolarHBondContact CA-O 3.37Å; L139-E151 HydrophobicContact CD2-CB 3.91Å; L139-E151 HydrophobicContact CD2-CG 4.46Å; L139-F165 CarbonylContact O-C 3.54Å; L139-F165 VanDerWaalsContact O-CA 3.25Å; L139-F165 WeakPolarHBondContact O-CA 3.43Å; L139-I166 HydrophobicContact CB-CB 4.27Å; L139-I166 PolarHBondContact N-O 2.92Å; L139-I166 PolarHBondContact O-N 2.79Å; L139-I196 HydrophobicContact CD1-CD1 3.54Å |
| 140 | Q | 84.3 | Confident | 68.1 | Low | 41 Ų | 41 | 52.3 Ų | 52.3 | 19% | 0.192 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 118.1 | 166.4 | -179.3 | 177.7 | 19.2 | 0 | 0 | 108.6 | A149 T150 V152 N160 D163 F165 | Q140-A149 CarbonylContact O-C 3.51Å; Q140-A149 VanDerWaalsContact O-CA 3.32Å; Q140-A149 WeakPolarHBondContact O-CA 3.33Å; Q140-T150 PolarHBondContact N-O 3.07Å; Q140-T150 PolarHBondContact O-N 2.67Å; Q140-V152 HydrophobicContact CB-CG1 3.86Å; Q140-V152 HydrophobicContact CB-CG2 4.23Å; Q140-N160 PolarHBondContact NE2-ND2 2.92Å; Q140-D163 PolarHBondContact NE2-OD2 2.93Å; Q140-F165 HydrophobicContact CB-CD1 3.89Å; Q140-F165 HydrophobicContact CB-CE1 3.58Å; Q140-F165 HydrophobicContact CB-CZ 4.4Å; Q140-F165 HydrophobicContact CG-CD1 4.16Å; Q140-F165 HydrophobicContact CG-CE1 3.49Å; Q140-F165 VanDerWaalsContact CG-CE1 3.49Å; Q140-F165 HydrophobicContact CG-CZ 3.82Å |
| 141 | V | 76.5 | Confident | 69.4 | Low | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.018 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 113 | 176.3 | -177.8 | 0 | 0 | 0 | 0 | 108.2 | V147 R148 A149 C164 I166 A189 | V141-V147 HydrophobicContact CG1-CG1 3.54Å; V141-R148 WeakPolarHBondContact CA-O 3.28Å; V141-A149 HydrophobicContact CG2-CB 4.16Å; V141-C164 WeakPolarHBondContact CA-O 3.49Å; V141-C164 HydrophobicContact CB-CB 4.32Å; V141-C164 WeakPolarHBondContact CB-O 3.43Å; V141-C164 PolarHBondContact N-O 2.67Å; V141-C164 PolarHBondContact O-N 3.34Å; V141-I166 HydrophobicContact CG2-CD1 3.74Å; V141-I166 HydrophobicContact CG2-CG1 4.02Å; V141-A189 HydrophobicContact CB-CB 4.27Å; V141-A189 HydrophobicContact CG1-CB 4.08Å; V141-A189 HydrophobicContact CG2-CB 4.36Å |
| 142 | K | 70.3 | Confident | 70.9 | Confident | 46 Ų | 46 | 44.8 Ų | 44.8 | 20% | 0.2 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 147.6 | -178.5 | -170.1 | 171.5 | -170.2 | 173.8 | 0 | 111 | R148 A233 D235 | K142-R148 PolarHBondContact N-O 2.61Å; K142-R148 PolarHBondContact O-N 3.12Å; K142-A233 PolarHBondContact NZ-O 3.12Å; K142-D235 WeakPolarHBondContact CE-OD2 3.34Å; K142-D235 IonicContact NZ-OD1 3.91Å; K142-D235 PolarHBondContact NZ-OD1 3.12Å; K142-D235 IonicContact NZ-OD2 2.75Å; K142-D235 PolarHBondContact NZ-OD2 2.74Å |
| 143 | G | 59.3 | Low | 72.4 | Confident | 19 Ų | 19 | 39.4 Ų | 39.4 | 20% | 0.196 | 21% | 0.212 | C | C | . | . | trans | 113.5 | 133.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 144 | R | 58.9 | Low | 74.1 | Confident | 40 Ų | 40 | 38 Ų | 38 | 15% | 0.151 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -85 | -41.5 | -177.2 | -162.4 | 177.3 | -172.1 | -160.3 | 2.5 | 112.6 | F184 K633 D654 D655 | R144-F184 WeakPolarHBondContact O-CD1 3.24Å; R144-F184 WeakPolarHBondContact O-CE1 3.34Å; R144-K633 VanDerWaalsContact NH2-NZ 3.16Å; R144-D654 IonicContact CZ-OD2 2.85Å; R144-D654 IonicContact NH2-OD1 3.38Å; R144-D654 PolarHBondContact NH2-OD1 2.78Å; R144-D654 IonicContact NH2-OD2 2.98Å; R144-D654 PolarHBondContact NH2-OD2 3.35Å; R144-D655 IonicContact CZ-OD1 3.91Å; R144-D655 IonicContact CZ-OD2 2.66Å; R144-D655 IonicContact NE-OD2 3.66Å; R144-D655 PolarHBondContact NE-OD2 3.47Å; R144-D655 IonicContact NH1-OD1 3.67Å; R144-D655 PolarHBondContact NH1-OD1 3.09Å; R144-D655 IonicContact NH1-OD2 3.58Å; R144-D655 PolarHBondContact NH1-OD2 3.03Å; R144-D655 IonicContact NH2-OD1 3.29Å; R144-D655 PolarHBondContact NH2-OD1 2.65Å; R144-D655 IonicContact NH2-OD2 2.71Å; R144-D655 PolarHBondContact NH2-OD2 3.04Å |
| 145 | R | 61 | Low | 75.4 | Confident | 20 Ų | 20 | 32.8 Ų | 32.8 | 8% | 0.075 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -101.6 | -45.1 | -179 | -55.4 | -53.2 | -179.7 | -173.2 | 0.6 | 112.9 | A629 E640 D655 | R145-A629 HydrophobicContact CG-CB 4.4Å; R145-E640 WeakPolarHBondContact CG-OE2 3.46Å; R145-D655 IonicContact CZ-OD2 2.87Å; R145-D655 IonicContact NH1-OD2 2.74Å; R145-D655 IonicContact NH2-OD1 2.68Å; R145-D655 IonicContact NH2-OD2 3.2Å; R145-D655 PolarHBondContact NH2-OD2 2.92Å |
| 146 | V | 59.2 | Low | 76.3 | Confident | 13 Ų | 13 | 32 Ų | 32 | 8% | 0.079 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -111.7 | 109.4 | 176.4 | -177 | 0 | 0 | 0 | 0 | 107.2 | L107 P643 | L107-V146 HydrophobicContact CB-CG1 4.29Å; L107-V146 HydrophobicContact CD1-CB 4.31Å; L107-V146 HydrophobicContact CD1-CG1 3.59Å; L107-V146 HydrophobicContact CD1-CG2 3.9Å; L107-V146 HydrophobicContact CD2-CG1 3.58Å; L107-V146 HydrophobicContact CG-CG1 4Å; V146-P643 HydrophobicContact CG2-CG 3.73Å |
| 147 | V | 63.6 | Low | 76.5 | Confident | 10 Ų | 10 | 33.5 Ų | 33.5 | 6% | 0.061 | 18% | 0.179 | C | C | . | . | trans | -87.1 | 124.5 | -174.9 | -177.7 | 0 | 0 | 0 | 0 | 108.5 | G113 I114 V141 K188 V192 | G113-V147 VanDerWaalsContact CA-O 3.29Å; G113-V147 WeakPolarHBondContact CA-O 3.47Å; I114-V147 PolarHBondContact N-O 2.98Å; V141-V147 HydrophobicContact CG1-CG1 3.54Å; V147-K188 HydrophobicContact CB-CB 4.31Å; V147-K188 HydrophobicContact CG1-CB 4.03Å; V147-K188 HydrophobicContact CG2-CB 3.4Å; V147-K188 HydrophobicContact CG2-CD 3.78Å; V147-K188 HydrophobicContact CG2-CG 3.38Å; V147-V192 HydrophobicContact CG1-CG2 4.11Å | ||
| 148 | R | 68.4 | Low | 76.5 | Confident | 58 Ų | 58 | 33.2 Ų | 33.2 | 22% | 0.219 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 127.6 | 176.7 | -59.5 | -175.4 | 173.6 | 94.8 | -6.6 | 108.7 | G100 E102 I114 Y116 V141 K142 | G100-R148 PolarHBondContact O-NH2 2.94Å; G100-R148 VanDerWaalsContact O-NH2 3.14Å; E102-R148 IonicContact OE2-CZ 2.7Å; E102-R148 IonicContact OE2-NE 3.89Å; E102-R148 PolarHBondContact OE2-NE 2.82Å; E102-R148 IonicContact OE2-NH2 3.6Å; E102-R148 PolarHBondContact OE2-NH2 2.81Å; I114-R148 HydrophobicContact CD1-CG 4.11Å; I114-R148 HydrophobicContact CG1-CB 4.48Å; I114-R148 HydrophobicContact CG1-CG 3.92Å; Y116-R148 HydrophobicContact CE2-CB 4.4Å; Y116-R148 WeakPolarHBondContact OH-CD 3.34Å; Y116-R148 PolarHBondContact OH-NE 3.49Å; V141-R148 WeakPolarHBondContact CA-O 3.28Å; K142-R148 PolarHBondContact N-O 2.61Å; K142-R148 PolarHBondContact O-N 3.12Å |
| 149 | A | 74.5 | Confident | 76.6 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.008 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 110.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | I114 K115 Y116 L139 Q140 V141 V192 | I114-A149 PolarHBondContact O-N 3.29Å; K115-A149 CarbonylContact C-O 3.59Å; K115-A149 VanDerWaalsContact CA-O 3.28Å; K115-A149 WeakPolarHBondContact CA-O 3.42Å; K115-A149 HydrophobicContact CG-CB 4.14Å; Y116-A149 PolarHBondContact N-O 3.47Å; L139-A149 HydrophobicContact CB-CB 4.38Å; Q140-A149 CarbonylContact O-C 3.51Å; Q140-A149 VanDerWaalsContact O-CA 3.32Å; Q140-A149 WeakPolarHBondContact O-CA 3.33Å; V141-A149 HydrophobicContact CG2-CB 4.16Å; A149-V192 HydrophobicContact CB-CG1 3.97Å |
| 150 | T | 72.6 | Confident | 77.1 | Confident | 47 Ų | 47 | 34 Ų | 34 | 29% | 0.288 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 127.7 | -176 | -54.3 | 0 | 0 | 0 | 0 | 110 | Y116 L139 Q140 V152 | Y116-T150 HydrophobicContact CD2-CG2 4.34Å; L139-T150 CarbonylContact C-O 3.51Å; L139-T150 WeakPolarHBondContact CA-O 3.37Å; Q140-T150 PolarHBondContact N-O 3.07Å; Q140-T150 PolarHBondContact O-N 2.67Å; T150-V152 PolarHBondContact O-N 3.04Å |
| 151 | E | 74.6 | Confident | 77.3 | Confident | 40 Ų | 40 | 34.1 Ų | 34.1 | 19% | 0.187 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 119.9 | 174.1 | -171.7 | 174 | 179.6 | 0 | 0 | 111.3 | Y116 K118 R137 V138 L139 | Y116-E151 WeakPolarHBondContact O-CB 3.47Å; Y116-E151 PolarHBondContact O-N 2.81Å; K118-E151 HydrophobicContact CB-CG 4.47Å; K118-E151 HydrophobicContact CD-CG 4.43Å; K118-E151 VanDerWaalsContact CE-O 3.24Å; K118-E151 WeakPolarHBondContact CE-O 3.46Å; K118-E151 HydrophobicContact CG-CB 4.22Å; K118-E151 HydrophobicContact CG-CG 4.23Å; K118-E151 PolarHBondContact N-OE2 2.85Å; R137-E151 HydrophobicContact CB-CG 4.36Å; V138-E151 WeakPolarHBondContact O-CA 3.17Å; L139-E151 HydrophobicContact CD2-CB 3.91Å; L139-E151 HydrophobicContact CD2-CG 4.46Å |
| 152 | V | 78.4 | Confident | 77.5 | Confident | 18 Ų | 18 | 34.5 Ų | 34.5 | 11% | 0.109 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 161.4 | -177.6 | -65.7 | 0 | 0 | 0 | 0 | 110.3 | V138 Q140 T150 V154 | V138-V152 HydrophobicContact CB-CG2 3.9Å; V138-V152 HydrophobicContact CG1-CG2 3.52Å; V138-V152 PolarHBondContact O-N 2.69Å; Q140-V152 HydrophobicContact CB-CG1 3.86Å; Q140-V152 HydrophobicContact CB-CG2 4.23Å; T150-V152 PolarHBondContact O-N 3.04Å; V152-V154 PolarHBondContact O-N 2.98Å |
| 153 | P | 84.8 | Confident | 78.2 | Confident | 72 Ų | 72 | 32.7 Ų | 32.7 | 47% | 0.468 | 18% | 0.183 | S | C | . | . | trans | -53.5 | 141.5 | 174.1 | -24.1 | 34.6 | 0 | 0 | 0 | 112.1 | S155 S158 | P153-S155 PolarHBondContact O-N 2.95Å; P153-S158 WeakPolarHBondContact CD-OG 3.46Å; P153-S158 PolarHBondContact O-OG 2.94Å | ||
| 154 | V | 89.9 | Confident | 79.6 | Confident | 50 Ų | 50 | 31.8 Ų | 31.8 | 30% | 0.303 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -75.2 | 75.3 | 175.1 | -172.4 | 0 | 0 | 0 | 0 | 109.1 | Q136 V138 V152 L167 V222 L223 | Q136-V154 HydrophobicContact CG-CG1 4.36Å; Q136-V154 HydrophobicContact CG-CG2 4.48Å; V138-V154 HydrophobicContact CG2-CB 4.22Å; V138-V154 HydrophobicContact CG2-CG1 4.03Å; V138-V154 HydrophobicContact CG2-CG2 4.12Å; V152-V154 PolarHBondContact O-N 2.98Å; V154-L167 HydrophobicContact CG1-CD1 4.18Å; V154-V222 HydrophobicContact CG1-CG1 3.99Å; V154-L223 HydrophobicContact CG1-CD2 3.66Å |
| 155 | S | 90.9 | Very high | 81.2 | Confident | 36 Ų | 36 | 29.9 Ų | 29.9 | 25% | 0.252 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -152.2 | 150.5 | -179.5 | 179.9 | 0 | 0 | 0 | 0 | 109.8 | P153 D157 S158 F159 | P153-S155 PolarHBondContact O-N 2.95Å; S155-D157 PolarHBondContact O-N 3.19Å; S155-D157 PolarHBondContact OG-N 3.43Å; S155-D157 PolarHBondContact OG-OD2 2.94Å; S155-S158 WeakPolarHBondContact O-CB 3.03Å; S155-S158 PolarHBondContact O-N 2.98Å; S155-S158 VanDerWaalsContact O-N 3.14Å; S155-F159 WeakPolarHBondContact O-CD2 3.45Å |
| 156 | W | 93.5 | Very high | 82.7 | Confident | 11 Ų | 11 | 28.9 Ų | 28.9 | 4% | 0.042 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -59.6 | -23.5 | 169.2 | -76.5 | 120.5 | 0 | 0 | 0 | 113.3 | S158 F159 E215 M219 L223 G224 K226 P227 L229 | W156-S158 PolarHBondContact O-N 3.34Å; W156-S158 VanDerWaalsContact O-N 3.13Å; W156-F159 HydrophobicContact CE3-CB 3.96Å; W156-F159 AromaticContact CE3-CD1 3.98Å; W156-F159 HydrophobicContact CE3-CD1 3.98Å; W156-F159 AromaticContact CE3-CD2 3.83Å; W156-F159 HydrophobicContact CE3-CD2 3.83Å; W156-F159 HydrophobicContact CE3-CE1 4.42Å; W156-F159 HydrophobicContact CE3-CE2 4.3Å; W156-F159 AromaticContact CE3-CG 3.66Å; W156-F159 HydrophobicContact CE3-CG 3.66Å; W156-F159 HydrophobicContact CZ3-CB 4.37Å; W156-F159 AromaticContact CZ3-CD1 3.65Å; W156-F159 HydrophobicContact CZ3-CD1 3.65Å; W156-F159 HydrophobicContact CZ3-CD2 4.27Å; W156-F159 AromaticContact CZ3-CE1 3.9Å; W156-F159 HydrophobicContact CZ3-CE1 3.9Å; W156-F159 HydrophobicContact CZ3-CE2 4.5Å; W156-F159 AromaticContact CZ3-CG 3.85Å; W156-F159 HydrophobicContact CZ3-CG 3.85Å; W156-F159 HydrophobicContact CZ3-CZ 4.33Å; W156-F159 WeakPolarHBondContact O-CB 3.3Å; W156-F159 PolarHBondContact O-N 3.31Å; W156-E215 HydrophobicContact CH2-CG 3.91Å; W156-E215 HydrophobicContact CZ2-CG 4.35Å; W156-M219 HydrophobicContact CH2-CE 3.64Å; W156-M219 HydrophobicContact CH2-SD 4.46Å; W156-M219 HydrophobicContact CZ2-CE 4.43Å; W156-M219 HydrophobicContact CZ3-CE 4.1Å; W156-L223 HydrophobicContact CD2-CB 4.28Å; W156-L223 HydrophobicContact CD2-CD1 4.34Å; W156-L223 HydrophobicContact CG-CB 4.35Å; W156-L223 HydrophobicContact CH2-CD1 4.13Å; W156-L223 HydrophobicContact CZ2-CB 4.17Å; W156-L223 HydrophobicContact CZ2-CD1 3.93Å; W156-L223 HydrophobicContact CZ3-CD1 4.41Å; W156-G224 PolarHBondContact NE1-O 3.4Å; W156-K226 HydrophobicContact CD2-CG 4.16Å; W156-K226 HydrophobicContact CE3-CG 4.09Å; W156-K226 HydrophobicContact CH2-CB 4.32Å; W156-K226 HydrophobicContact CH2-CD 4.12Å; W156-K226 HydrophobicContact CH2-CG 3.91Å; W156-K226 HydrophobicContact CZ2-CB 3.91Å; W156-K226 HydrophobicContact CZ2-CG 3.96Å; W156-K226 HydrophobicContact CZ3-CD 4.24Å; W156-K226 HydrophobicContact CZ3-CG 3.97Å; W156-P227 HydrophobicContact CB-CG 3.81Å; W156-P227 VanDerWaalsContact CG-CD 3.47Å; W156-P227 HydrophobicContact CG-CG 4.27Å; W156-L229 HydrophobicContact CE3-CD1 4.48Å; W156-L229 HydrophobicContact CE3-CD2 4.32Å; W156-L229 HydrophobicContact CZ3-CD1 4.47Å |
| 157 | D | 89.9 | Confident | 84.3 | Confident | 148 Ų | 148 | 28.3 Ų | 28.3 | 79% | 0.791 | 16% | 0.159 | S | C | * | . | G | 310 helix | trans | -62.1 | -19.5 | 175.6 | -56.4 | -44.3 | 0 | 0 | 0 | 113.2 | S155 | S155-D157 PolarHBondContact O-N 3.19Å; S155-D157 PolarHBondContact OG-N 3.43Å; S155-D157 PolarHBondContact OG-OD2 2.94Å |
| 158 | S | 86.7 | Confident | 85.5 | Confident | 22 Ų | 22 | 27.9 Ų | 27.9 | 15% | 0.154 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -81.9 | -17.4 | 175.7 | -57 | 0 | 0 | 0 | 0 | 113 | P153 S155 W156 F165 | P153-S158 WeakPolarHBondContact CD-OG 3.46Å; P153-S158 PolarHBondContact O-OG 2.94Å; S155-S158 WeakPolarHBondContact O-CB 3.03Å; S155-S158 PolarHBondContact O-N 2.98Å; S155-S158 VanDerWaalsContact O-N 3.14Å; W156-S158 PolarHBondContact O-N 3.34Å; W156-S158 VanDerWaalsContact O-N 3.13Å; S158-F165 WeakPolarHBondContact O-CE1 3.46Å; S158-F165 VanDerWaalsContact O-CZ 3.29Å; S158-F165 WeakPolarHBondContact O-CZ 3.24Å |
| 159 | F | 91.8 | Very high | 86.5 | Confident | 3 Ų | 3 | 26.7 Ų | 26.7 | 1% | 0.013 | 15% | 0.154 | C | C | . | . | trans | -88.2 | 151.6 | -171.7 | -74.1 | -112.8 | 0 | 0 | 0 | 111.8 | V138 S155 W156 F165 W176 M219 L223 L229 | V138-F159 HydrophobicContact CG1-CE2 3.96Å; V138-F159 HydrophobicContact CG1-CZ 4.01Å; V138-F159 HydrophobicContact CG2-CE2 4.43Å; S155-F159 WeakPolarHBondContact O-CD2 3.45Å; W156-F159 HydrophobicContact CE3-CB 3.96Å; W156-F159 AromaticContact CE3-CD1 3.98Å; W156-F159 HydrophobicContact CE3-CD1 3.98Å; W156-F159 AromaticContact CE3-CD2 3.83Å; W156-F159 HydrophobicContact CE3-CD2 3.83Å; W156-F159 HydrophobicContact CE3-CE1 4.42Å; W156-F159 HydrophobicContact CE3-CE2 4.3Å; W156-F159 AromaticContact CE3-CG 3.66Å; W156-F159 HydrophobicContact CE3-CG 3.66Å; W156-F159 HydrophobicContact CZ3-CB 4.37Å; W156-F159 AromaticContact CZ3-CD1 3.65Å; W156-F159 HydrophobicContact CZ3-CD1 3.65Å; W156-F159 HydrophobicContact CZ3-CD2 4.27Å; W156-F159 AromaticContact CZ3-CE1 3.9Å; W156-F159 HydrophobicContact CZ3-CE1 3.9Å; W156-F159 HydrophobicContact CZ3-CE2 4.5Å; W156-F159 AromaticContact CZ3-CG 3.85Å; W156-F159 HydrophobicContact CZ3-CG 3.85Å; W156-F159 HydrophobicContact CZ3-CZ 4.33Å; W156-F159 WeakPolarHBondContact O-CB 3.3Å; W156-F159 PolarHBondContact O-N 3.31Å; F159-F165 HydrophobicContact CB-CE2 4.35Å; F159-F165 HydrophobicContact CB-CZ 4.41Å; F159-F165 HydrophobicContact CD1-CB 3.96Å; F159-F165 HydrophobicContact CD1-CD1 4.16Å; F159-F165 AromaticContact CD1-CD2 3.62Å; F159-F165 HydrophobicContact CD1-CD2 3.62Å; F159-F165 HydrophobicContact CD1-CE2 4.16Å; F159-F165 AromaticContact CD1-CG 3.64Å; F159-F165 HydrophobicContact CD1-CG 3.64Å; F159-F165 HydrophobicContact CD2-CD1 4.48Å; F159-F165 HydrophobicContact CE1-CB 3.43Å; F159-F165 VanDerWaalsContact CE1-CB 3.43Å; F159-F165 HydrophobicContact CE1-CD1 4.23Å; F159-F165 HydrophobicContact CE1-CD2 4.03Å; F159-F165 AromaticContact CE1-CG 3.64Å; F159-F165 HydrophobicContact CE1-CG 3.64Å; F159-F165 HydrophobicContact CG-CD1 4.3Å; F159-F165 HydrophobicContact CG-CD2 4.26Å; F159-F165 HydrophobicContact CG-CE1 4.44Å; F159-F165 HydrophobicContact CG-CE2 4.41Å; F159-F165 HydrophobicContact CG-CG 4.21Å; F159-F165 HydrophobicContact CZ-CB 3.92Å; F159-F165 HydrophobicContact CZ-CD1 4.42Å; F159-F165 HydrophobicContact CZ-CG 4.2Å; F159-W176 AromaticContact CD1-CD2 3.99Å; F159-W176 HydrophobicContact CD1-CD2 3.99Å; F159-W176 AromaticContact CD1-CE3 3.63Å; F159-W176 HydrophobicContact CD1-CE3 3.63Å; F159-W176 HydrophobicContact CD1-CH2 4.4Å; F159-W176 AromaticContact CD1-CZ3 3.86Å; F159-W176 HydrophobicContact CD1-CZ3 3.86Å; F159-W176 HydrophobicContact CE1-CB 4.25Å; F159-W176 HydrophobicContact CE1-CD2 4.06Å; F159-W176 AromaticContact CE1-CE3 3.96Å; F159-W176 HydrophobicContact CE1-CE3 3.96Å; F159-W176 HydrophobicContact CE1-CG 4.22Å; F159-M219 HydrophobicContact CE1-CE 3.58Å; F159-M219 HydrophobicContact CZ-CE 3.75Å; F159-L223 HydrophobicContact CE2-CD1 3.94Å; F159-L223 HydrophobicContact CE2-CD2 4.46Å; F159-L223 HydrophobicContact CZ-CD1 3.81Å; F159-L229 HydrophobicContact CB-CD1 3.91Å; F159-L229 HydrophobicContact CB-CD2 3.86Å | ||
| 160 | N | 89.3 | Confident | 87 | Confident | 16 Ų | 16 | 27.2 Ų | 27.2 | 9% | 0.086 | 16% | 0.159 | C | C | . | . | trans | -145.4 | 166 | 171.8 | 68.8 | 70.5 | 0 | 0 | 0 | 110.1 | Q140 G162 D163 W176 P230 G232 | Q140-N160 PolarHBondContact NE2-ND2 2.92Å; N160-G162 VanDerWaalsContact C-N 3.3Å; N160-G162 PolarHBondContact O-N 3.16Å; N160-G162 WeakPolarHBondContact OD1-CA 3.43Å; N160-G162 PolarHBondContact OD1-N 2.86Å; N160-D163 PolarHBondContact ND2-OD2 2.78Å; N160-D163 PolarHBondContact OD1-N 2.79Å; N160-D163 PolarHBondContact OD1-OD2 2.92Å; N160-W176 WeakPolarHBondContact O-CZ3 3.33Å; N160-P230 WeakPolarHBondContact CA-O 3.49Å; N160-P230 HydrophobicContact CB-CG 4.23Å; N160-P230 WeakPolarHBondContact CB-O 3.2Å; N160-G232 WeakPolarHBondContact OD1-CA 3.48Å | ||
| 161 | Q | 89.1 | Confident | 87.6 | Confident | 44 Ų | 44 | 28.2 Ų | 28.2 | 21% | 0.206 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -74.7 | -17.5 | -176.5 | -62 | -177.9 | -12.9 | 0 | 0 | 113.6 | G178 S179 Q180 S181 L229 P230 | Q161-G178 CarbonylContact O-C 3.39Å; Q161-G178 VanDerWaalsContact O-CA 3.26Å; Q161-G178 WeakPolarHBondContact O-CA 3.48Å; Q161-S179 PolarHBondContact O-N 2.96Å; Q161-Q180 HydrophobicContact CB-CB 4.46Å; Q161-Q180 HydrophobicContact CB-CG 4.15Å; Q161-Q180 CarbonylContact O-C 3.56Å; Q161-Q180 WeakPolarHBondContact O-CA 3.43Å; Q161-Q180 WeakPolarHBondContact O-CB 3.33Å; Q161-Q180 PolarHBondContact O-N 3.2Å; Q161-S181 PolarHBondContact O-N 3.39Å; Q161-L229 HydrophobicContact CG-CB 3.99Å; Q161-L229 PolarHBondContact NE2-O 3.11Å; Q161-L229 VanDerWaalsContact NE2-O 3.13Å; Q161-P230 PolarHBondContact N-O 3.43Å |
| 162 | G | 81.7 | Confident | 88.3 | Confident | 11 Ų | 11 | 29.4 Ų | 29.4 | 11% | 0.113 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -94.4 | -20.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | N160 S181 | N160-G162 VanDerWaalsContact C-N 3.3Å; N160-G162 PolarHBondContact O-N 3.16Å; N160-G162 WeakPolarHBondContact OD1-CA 3.43Å; N160-G162 PolarHBondContact OD1-N 2.86Å; G162-S181 VanDerWaalsContact O-CA 3.23Å; G162-S181 WeakPolarHBondContact O-CA 3.29Å; G162-S181 WeakPolarHBondContact O-CB 3.37Å |
| 163 | D | 84.4 | Confident | 88.9 | Confident | 7 Ų | 7 | 28.6 Ų | 28.6 | 4% | 0.037 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -107.8 | 169.5 | -175 | -62.5 | -33.4 | 0 | 0 | 0 | 112.6 | Q140 N160 F165 G178 | Q140-D163 PolarHBondContact NE2-OD2 2.93Å; N160-D163 PolarHBondContact ND2-OD2 2.78Å; N160-D163 PolarHBondContact OD1-N 2.79Å; N160-D163 PolarHBondContact OD1-OD2 2.92Å; D163-F165 HydrophobicContact CB-CE2 3.76Å; D163-F165 HydrophobicContact CB-CZ 4.09Å; D163-G178 PolarHBondContact O-N 2.94Å; D163-G178 VanDerWaalsContact O-N 3.12Å |
| 164 | C | 88.9 | Confident | 89.3 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 148.4 | 166.4 | -63.4 | 0 | 0 | 0 | 0 | 110.7 | V141 W176 A189 | V141-C164 WeakPolarHBondContact CA-O 3.49Å; V141-C164 HydrophobicContact CB-CB 4.32Å; V141-C164 WeakPolarHBondContact CB-O 3.43Å; V141-C164 PolarHBondContact N-O 2.67Å; V141-C164 PolarHBondContact O-N 3.34Å; C164-W176 CarbonylContact C-O 3.52Å; C164-W176 WeakPolarHBondContact CA-O 3.26Å; C164-A189 HydrophobicContact CB-CB 3.55Å |
| 165 | F | 92.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 146.7 | -179.1 | -66.3 | -95.9 | 0 | 0 | 0 | 110.6 | V138 L139 Q140 S158 F159 D163 Q175 W176 | V138-F165 HydrophobicContact CG1-CB 4.47Å; V138-F165 HydrophobicContact CG1-CD1 4.08Å; L139-F165 CarbonylContact O-C 3.54Å; L139-F165 VanDerWaalsContact O-CA 3.25Å; L139-F165 WeakPolarHBondContact O-CA 3.43Å; Q140-F165 HydrophobicContact CB-CD1 3.89Å; Q140-F165 HydrophobicContact CB-CE1 3.58Å; Q140-F165 HydrophobicContact CB-CZ 4.4Å; Q140-F165 HydrophobicContact CG-CD1 4.16Å; Q140-F165 HydrophobicContact CG-CE1 3.49Å; Q140-F165 VanDerWaalsContact CG-CE1 3.49Å; Q140-F165 HydrophobicContact CG-CZ 3.82Å; S158-F165 WeakPolarHBondContact O-CE1 3.46Å; S158-F165 VanDerWaalsContact O-CZ 3.29Å; S158-F165 WeakPolarHBondContact O-CZ 3.24Å; F159-F165 HydrophobicContact CB-CE2 4.35Å; F159-F165 HydrophobicContact CB-CZ 4.41Å; F159-F165 HydrophobicContact CD1-CB 3.96Å; F159-F165 HydrophobicContact CD1-CD1 4.16Å; F159-F165 AromaticContact CD1-CD2 3.62Å; F159-F165 HydrophobicContact CD1-CD2 3.62Å; F159-F165 HydrophobicContact CD1-CE2 4.16Å; F159-F165 AromaticContact CD1-CG 3.64Å; F159-F165 HydrophobicContact CD1-CG 3.64Å; F159-F165 HydrophobicContact CD2-CD1 4.48Å; F159-F165 HydrophobicContact CE1-CB 3.43Å; F159-F165 VanDerWaalsContact CE1-CB 3.43Å; F159-F165 HydrophobicContact CE1-CD1 4.23Å; F159-F165 HydrophobicContact CE1-CD2 4.03Å; F159-F165 AromaticContact CE1-CG 3.64Å; F159-F165 HydrophobicContact CE1-CG 3.64Å; F159-F165 HydrophobicContact CG-CD1 4.3Å; F159-F165 HydrophobicContact CG-CD2 4.26Å; F159-F165 HydrophobicContact CG-CE1 4.44Å; F159-F165 HydrophobicContact CG-CE2 4.41Å; F159-F165 HydrophobicContact CG-CG 4.21Å; F159-F165 HydrophobicContact CZ-CB 3.92Å; F159-F165 HydrophobicContact CZ-CD1 4.42Å; F159-F165 HydrophobicContact CZ-CG 4.2Å; D163-F165 HydrophobicContact CB-CE2 3.76Å; D163-F165 HydrophobicContact CB-CZ 4.09Å; F165-Q175 CarbonylContact O-C 3.56Å; F165-Q175 WeakPolarHBondContact O-CA 3.41Å; F165-W176 AromaticContact CD2-CE3 3.76Å; F165-W176 HydrophobicContact CD2-CE3 3.76Å; F165-W176 AromaticContact CD2-CZ3 3.89Å; F165-W176 HydrophobicContact CD2-CZ3 3.89Å; F165-W176 HydrophobicContact CE2-CZ3 4.23Å; F165-W176 PolarHBondContact N-O 3.19Å; F165-W176 PolarHBondContact O-N 2.8Å |
| 166 | I | 91.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 110 | 175.3 | -56.8 | 170.6 | 0 | 0 | 0 | 108.6 | V138 L139 V141 I173 Y174 V192 A193 I196 | V138-I166 CarbonylContact C-O 3.58Å; V138-I166 WeakPolarHBondContact CA-O 3.3Å; L139-I166 HydrophobicContact CB-CB 4.27Å; L139-I166 PolarHBondContact N-O 2.92Å; L139-I166 PolarHBondContact O-N 2.79Å; V141-I166 HydrophobicContact CG2-CD1 3.74Å; V141-I166 HydrophobicContact CG2-CG1 4.02Å; I166-I173 HydrophobicContact CG2-CG2 3.47Å; I166-I173 VanDerWaalsContact CG2-CG2 3.47Å; I166-Y174 CarbonylContact C-O 3.36Å; I166-Y174 WeakPolarHBondContact CA-O 3.5Å; I166-V192 HydrophobicContact CD1-CB 3.82Å; I166-V192 HydrophobicContact CD1-CG1 3.54Å; I166-A193 HydrophobicContact CD1-CB 4.01Å; I166-I196 HydrophobicContact CD1-CD1 4.41Å; I166-I196 HydrophobicContact CG2-CD1 4.14Å |
| 167 | L | 93.4 | Very high | 89.6 | Confident | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 109.3 | 168.1 | 175 | 68.5 | 0 | 0 | 0 | 108.8 | V138 V154 L169 Y174 M219 V222 L223 | V138-L167 HydrophobicContact CG2-CB 4.42Å; V138-L167 HydrophobicContact CG2-CD1 3.58Å; V154-L167 HydrophobicContact CG1-CD1 4.18Å; L167-L169 HydrophobicContact CD1-CD2 3.82Å; L167-L169 HydrophobicContact CD2-CD1 4.32Å; L167-L169 HydrophobicContact CD2-CD2 4.28Å; L167-L169 HydrophobicContact CD2-CG 4.34Å; L167-L169 HydrophobicContact CG-CD2 3.89Å; L167-L169 HydrophobicContact CG-CG 4.06Å; L167-Y174 HydrophobicContact CD2-CD2 4.4Å; L167-Y174 PolarHBondContact N-O 3.45Å; L167-Y174 PolarHBondContact O-N 3.25Å; L167-M219 HydrophobicContact CD2-CB 4.35Å; L167-M219 HydrophobicContact CD2-CG 3.9Å; L167-V222 HydrophobicContact CD1-CG1 4.39Å; L167-L223 HydrophobicContact CD2-CD1 4.41Å |
| 168 | D | 88.4 | Confident | 89.6 | Confident | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 111.2 | -177.9 | 177.2 | 7.9 | 0 | 0 | 0 | 110.2 | V135 Q136 R137 G170 R201 | V135-D168 HydrophobicContact CG1-CB 4.5Å; Q136-D168 WeakPolarHBondContact CA-O 3.43Å; R137-D168 HydrophobicContact CG-CB 3.87Å; R137-D168 IonicContact CZ-OD2 3.32Å; R137-D168 VanDerWaalsContact CZ-OD2 3.29Å; R137-D168 PolarHBondContact N-O 3.42Å; R137-D168 VanDerWaalsContact N-O 3.14Å; R137-D168 IonicContact NE-OD2 3.74Å; R137-D168 PolarHBondContact NE-OD2 3.34Å; R137-D168 IonicContact NH2-OD2 3.71Å; R137-D168 PolarHBondContact NH2-OD2 3.35Å; R137-D168 PolarHBondContact O-N 3.19Å; D168-G170 PolarHBondContact OD1-N 3.33Å; D168-G170 VanDerWaalsContact OD1-N 3.09Å; D168-R201 VanDerWaalsContact CG-NH2 3.32Å; D168-R201 IonicContact OD1-CZ 3.34Å; D168-R201 IonicContact OD1-NH1 3.84Å; D168-R201 PolarHBondContact OD1-NH1 3.33Å; D168-R201 IonicContact OD1-NH2 3.48Å; D168-R201 PolarHBondContact OD1-NH2 3.02Å; D168-R201 VanDerWaalsContact OD1-NH2 3.14Å; D168-R201 IonicContact OD2-CZ 2.71Å; D168-R201 IonicContact OD2-NH1 3.96Å; D168-R201 IonicContact OD2-NH2 3.63Å; D168-R201 PolarHBondContact OD2-NH2 3.28Å |
| 169 | L | 89.8 | Confident | 89.7 | Confident | 34 Ų | 34 | 16.3 Ų | 16.3 | 18% | 0.178 | 10% | 0.104 | C | C | . | . | trans | -109.3 | 22.8 | 179.9 | -55 | -172.6 | 0 | 0 | 0 | 112.6 | V135 Q136 L167 A171 E172 Y174 K218 V222 | V135-L169 CarbonylContact O-C 3.56Å; V135-L169 VanDerWaalsContact O-C 3.28Å; V135-L169 VanDerWaalsContact O-CA 3.23Å; V135-L169 WeakPolarHBondContact O-CA 3.29Å; Q136-L169 HydrophobicContact CB-CD2 4.47Å; Q136-L169 HydrophobicContact CG-CD2 4.03Å; L167-L169 HydrophobicContact CD1-CD2 3.82Å; L167-L169 HydrophobicContact CD2-CD1 4.32Å; L167-L169 HydrophobicContact CD2-CD2 4.28Å; L167-L169 HydrophobicContact CD2-CG 4.34Å; L167-L169 HydrophobicContact CG-CD2 3.89Å; L167-L169 HydrophobicContact CG-CG 4.06Å; L169-A171 PolarHBondContact O-N 2.67Å; L169-A171 VanDerWaalsContact O-N 3.16Å; L169-E172 WeakPolarHBondContact CA-O 3.48Å; L169-E172 WeakPolarHBondContact CB-O 3.43Å; L169-E172 PolarHBondContact N-O 3.37Å; L169-Y174 HydrophobicContact CD1-CD2 4.23Å; L169-Y174 HydrophobicContact CD1-CE2 3.76Å; L169-Y174 HydrophobicContact CG-CD2 4.4Å; L169-Y174 HydrophobicContact CG-CE2 4.28Å; L169-K218 HydrophobicContact CD1-CG 4Å; L169-V222 HydrophobicContact CD1-CG2 3.96Å; L169-V222 HydrophobicContact CD2-CG1 4.42Å; L169-V222 HydrophobicContact CD2-CG2 4.36Å | ||
| 170 | G | 84.1 | Confident | 89.3 | Confident | 11 Ų | 11 | 21.7 Ų | 21.7 | 11% | 0.113 | 13% | 0.129 | C | C | . | . | S | Bend | trans | 85.8 | -86 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | D168 R201 | D168-G170 PolarHBondContact OD1-N 3.33Å; D168-G170 VanDerWaalsContact OD1-N 3.09Å; G170-R201 PolarHBondContact O-NH1 2.83Å |
| 171 | A | 85.4 | Confident | 88.6 | Confident | 69 Ų | 69 | 21.5 Ų | 21.5 | 57% | 0.57 | 13% | 0.129 | S | C | * | . | S | Bend | trans | -78.6 | -24.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L169 A205 R206 | L169-A171 PolarHBondContact O-N 2.67Å; L169-A171 VanDerWaalsContact O-N 3.16Å; A171-A205 CarbonylContact O-C 3.51Å; A171-A205 VanDerWaalsContact O-CA 3.32Å; A171-A205 WeakPolarHBondContact O-CA 3.32Å; A171-R206 PolarHBondContact O-N 3.01Å |
| 172 | E | 90.7 | Very high | 87.8 | Confident | 65 Ų | 65 | 21.1 Ų | 21.1 | 30% | 0.304 | 13% | 0.128 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 131.4 | 179.5 | -59.8 | -176.2 | 91 | 0 | 0 | 109.4 | L169 Y174 Y208 | L169-E172 WeakPolarHBondContact CA-O 3.48Å; L169-E172 WeakPolarHBondContact CB-O 3.43Å; L169-E172 PolarHBondContact N-O 3.37Å; E172-Y174 HydrophobicContact CB-CE2 3.66Å; E172-Y174 PolarHBondContact OE1-OH 2.78Å; E172-Y174 PolarHBondContact OE2-OH 3.02Å; E172-Y208 HydrophobicContact CB-CD2 4.45Å; E172-Y208 HydrophobicContact CB-CE2 4.08Å; E172-Y208 HydrophobicContact CG-CE2 4.02Å; E172-Y208 WeakPolarHBondContact OE1-CE2 3.12Å |
| 173 | I | 90.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 122.3 | -179.6 | -59.4 | 167.7 | 0 | 0 | 0 | 106.8 | I166 A193 I196 R197 A205 R206 V207 Y208 | I166-I173 HydrophobicContact CG2-CG2 3.47Å; I166-I173 VanDerWaalsContact CG2-CG2 3.47Å; I173-A193 HydrophobicContact CG2-CB 4.33Å; I173-I196 HydrophobicContact CD1-CB 4.13Å; I173-I196 HydrophobicContact CD1-CG2 3.71Å; I173-R197 HydrophobicContact CD1-CB 4.15Å; I173-A205 HydrophobicContact CD1-CB 3.85Å; I173-A205 HydrophobicContact CG1-CB 4.31Å; I173-R206 PolarHBondContact N-O 3.44Å; I173-V207 HydrophobicContact CB-CG2 4.25Å; I173-V207 HydrophobicContact CD1-CG2 4.27Å; I173-V207 CarbonylContact O-C 3.59Å; I173-V207 WeakPolarHBondContact O-CA 3.41Å; I173-Y208 PolarHBondContact O-N 3.09Å |
| 174 | Y | 93.6 | Very high | 86.4 | Confident | 5 Ų | 5 | 25.4 Ų | 25.4 | 2% | 0.02 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 113.2 | -179.3 | -57.8 | -92.1 | 0 | 0 | 0 | 109.9 | I166 L167 L169 E172 Y208 R216 K218 | I166-Y174 CarbonylContact C-O 3.36Å; I166-Y174 WeakPolarHBondContact CA-O 3.5Å; L167-Y174 HydrophobicContact CD2-CD2 4.4Å; L167-Y174 PolarHBondContact N-O 3.45Å; L167-Y174 PolarHBondContact O-N 3.25Å; L169-Y174 HydrophobicContact CD1-CD2 4.23Å; L169-Y174 HydrophobicContact CD1-CE2 3.76Å; L169-Y174 HydrophobicContact CG-CD2 4.4Å; L169-Y174 HydrophobicContact CG-CE2 4.28Å; E172-Y174 HydrophobicContact CB-CE2 3.66Å; E172-Y174 PolarHBondContact OE1-OH 2.78Å; E172-Y174 PolarHBondContact OE2-OH 3.02Å; Y174-Y208 CarbonylContact C-O 3.28Å; Y174-Y208 WeakPolarHBondContact CA-O 3.31Å; Y174-Y208 AromaticContact CD1-CD2 3.92Å; Y174-Y208 HydrophobicContact CD1-CD2 3.92Å; Y174-Y208 HydrophobicContact CD1-CG 4.18Å; Y174-Y208 AromaticContact CE1-CD2 3.51Å; Y174-Y208 HydrophobicContact CE1-CD2 3.51Å; Y174-Y208 HydrophobicContact CE1-CE2 4.26Å; Y174-Y208 HydrophobicContact CE1-CG 4.02Å; Y174-Y208 AromaticContact CZ-CD2 3.93Å; Y174-R216 HydrophobicContact CD1-CB 4.49Å; Y174-R216 HydrophobicContact CE1-CB 4.29Å; Y174-K218 HydrophobicContact CE1-CB 4.43Å; Y174-K218 HydrophobicContact CE2-CB 4.4Å; Y174-K218 HydrophobicContact CE2-CG 4.25Å; Y174-K218 VanDerWaalsContact OH-CB 3.29Å; Y174-K218 WeakPolarHBondContact OH-CB 3.38Å; Y174-K218 WeakPolarHBondContact OH-CG 3.25Å |
| 175 | Q | 93.5 | Very high | 85.5 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 117 | 169 | 173.4 | -178.1 | -25.7 | 0 | 0 | 108.7 | F165 K186 A189 T190 Y208 V209 C210 | F165-Q175 CarbonylContact O-C 3.56Å; F165-Q175 WeakPolarHBondContact O-CA 3.41Å; Q175-K186 PolarHBondContact NE2-O 2.91Å; Q175-A189 HydrophobicContact CG-CB 4.27Å; Q175-T190 PolarHBondContact NE2-OG1 2.81Å; Q175-T190 VanDerWaalsContact NE2-OG1 3.12Å; Q175-T190 PolarHBondContact OE1-OG1 3.26Å; Q175-Y208 PolarHBondContact N-O 3.4Å; Q175-V209 HydrophobicContact CB-CG2 4.3Å; Q175-V209 HydrophobicContact CG-CG1 4.3Å; Q175-V209 CarbonylContact O-C 3.52Å; Q175-V209 WeakPolarHBondContact O-CA 3.43Å; Q175-C210 PolarHBondContact O-N 3.23Å |
| 176 | W | 95.4 | Very high | 85 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 130.3 | 175.5 | -176.2 | 93.8 | 0 | 0 | 0 | 110.1 | F159 N160 C164 F165 C210 E212 E215 M219 L229 | F159-W176 AromaticContact CD1-CD2 3.99Å; F159-W176 HydrophobicContact CD1-CD2 3.99Å; F159-W176 AromaticContact CD1-CE3 3.63Å; F159-W176 HydrophobicContact CD1-CE3 3.63Å; F159-W176 HydrophobicContact CD1-CH2 4.4Å; F159-W176 AromaticContact CD1-CZ3 3.86Å; F159-W176 HydrophobicContact CD1-CZ3 3.86Å; F159-W176 HydrophobicContact CE1-CB 4.25Å; F159-W176 HydrophobicContact CE1-CD2 4.06Å; F159-W176 AromaticContact CE1-CE3 3.96Å; F159-W176 HydrophobicContact CE1-CE3 3.96Å; F159-W176 HydrophobicContact CE1-CG 4.22Å; N160-W176 WeakPolarHBondContact O-CZ3 3.33Å; C164-W176 CarbonylContact C-O 3.52Å; C164-W176 WeakPolarHBondContact CA-O 3.26Å; F165-W176 AromaticContact CD2-CE3 3.76Å; F165-W176 HydrophobicContact CD2-CE3 3.76Å; F165-W176 AromaticContact CD2-CZ3 3.89Å; F165-W176 HydrophobicContact CD2-CZ3 3.89Å; F165-W176 HydrophobicContact CE2-CZ3 4.23Å; F165-W176 PolarHBondContact N-O 3.19Å; F165-W176 PolarHBondContact O-N 2.8Å; W176-C210 CarbonylContact C-O 3.54Å; W176-C210 VanDerWaalsContact CA-O 3.27Å; W176-C210 WeakPolarHBondContact CA-O 3.24Å; W176-E212 HydrophobicContact CH2-CB 4.11Å; W176-E212 HydrophobicContact CH2-CG 4.36Å; W176-E212 HydrophobicContact CZ2-CB 3.52Å; W176-E212 HydrophobicContact CZ2-CG 3.74Å; W176-E215 PolarHBondContact NE1-OE1 3.41Å; W176-M219 HydrophobicContact CB-CE 3.61Å; W176-M219 HydrophobicContact CB-SD 4.17Å; W176-M219 HydrophobicContact CG-CE 3.66Å; W176-M219 HydrophobicContact CG-SD 4.26Å; W176-L229 HydrophobicContact CH2-CD1 3.42Å; W176-L229 VanDerWaalsContact CH2-CD1 3.42Å; W176-L229 HydrophobicContact CZ2-CD1 3.69Å; W176-L229 HydrophobicContact CZ3-CD1 4.41Å |
| 177 | C | 91.6 | Very high | 84.1 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.007 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 119.6 | -177.8 | -59.8 | 0 | 0 | 0 | 0 | 110.2 | K186 C210 D211 E212 | C177-K186 HydrophobicContact CB-CD 4.14Å; C177-K186 HydrophobicContact CB-CG 4.16Å; C177-C210 PolarHBondContact N-O 3.3Å; C177-D211 WeakPolarHBondContact CB-OD1 3.5Å; C177-D211 CarbonylContact O-C 3.56Å; C177-D211 WeakPolarHBondContact O-CA 3.44Å; C177-E212 PolarHBondContact O-N 2.95Å |
| 178 | G | 90.3 | Very high | 83 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -62.4 | 152 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q161 D163 Q180 S181 | Q161-G178 CarbonylContact O-C 3.39Å; Q161-G178 VanDerWaalsContact O-CA 3.26Å; Q161-G178 WeakPolarHBondContact O-CA 3.48Å; D163-G178 PolarHBondContact O-N 2.94Å; D163-G178 VanDerWaalsContact O-N 3.12Å; G178-Q180 PolarHBondContact O-N 2.94Å; G178-Q180 VanDerWaalsContact O-N 3.14Å; G178-S181 PolarHBondContact N-OG 3.21Å; G178-S181 WeakPolarHBondContact O-CB 3.35Å; G178-S181 PolarHBondContact O-N 2.86Å; G178-S181 PolarHBondContact O-OG 3.44Å | ||
| 179 | S | 88.3 | Confident | 82.6 | Confident | 75 Ų | 75 | 30.3 Ų | 30.3 | 52% | 0.524 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -22.3 | -176.9 | 52.2 | 0 | 0 | 0 | 0 | 114.8 | Q161 E212 | Q161-S179 PolarHBondContact O-N 2.96Å; S179-E212 WeakPolarHBondContact CB-OE2 3.29Å; S179-E212 PolarHBondContact N-OE2 3.33Å; S179-E212 VanDerWaalsContact N-OE2 3.14Å; S179-E212 PolarHBondContact OG-OE2 3.43Å |
| 180 | Q | 82.6 | Confident | 82.2 | Confident | 115 Ų | 115 | 28.9 Ų | 28.9 | 54% | 0.537 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 3.3 | 177.9 | -56.4 | 179.3 | 9.1 | 0 | 0 | 113.1 | Q161 G178 | Q161-Q180 HydrophobicContact CB-CB 4.46Å; Q161-Q180 HydrophobicContact CB-CG 4.15Å; Q161-Q180 CarbonylContact O-C 3.56Å; Q161-Q180 WeakPolarHBondContact O-CA 3.43Å; Q161-Q180 WeakPolarHBondContact O-CB 3.33Å; Q161-Q180 PolarHBondContact O-N 3.2Å; G178-Q180 PolarHBondContact O-N 2.94Å; G178-Q180 VanDerWaalsContact O-N 3.14Å |
| 181 | S | 75.6 | Confident | 81.8 | Confident | 12 Ų | 12 | 31 Ų | 31 | 8% | 0.084 | 16% | 0.163 | C | C | . | . | trans | -67.7 | 136.4 | 177.4 | 62.1 | 0 | 0 | 0 | 0 | 111.7 | Q161 G162 G178 K186 | Q161-S181 PolarHBondContact O-N 3.39Å; G162-S181 VanDerWaalsContact O-CA 3.23Å; G162-S181 WeakPolarHBondContact O-CA 3.29Å; G162-S181 WeakPolarHBondContact O-CB 3.37Å; G178-S181 PolarHBondContact N-OG 3.21Å; G178-S181 WeakPolarHBondContact O-CB 3.35Å; G178-S181 PolarHBondContact O-N 2.86Å; G178-S181 PolarHBondContact O-OG 3.44Å; S181-K186 WeakPolarHBondContact OG-CE 3.25Å | ||
| 182 | N | 71.2 | Confident | 81.2 | Confident | 36 Ų | 36 | 28 Ų | 28 | 19% | 0.193 | 14% | 0.138 | C | C | . | . | trans | -80.3 | 160.9 | -176.3 | 74.8 | 57.5 | 0 | 0 | 0 | 111.9 | F184 E185 K186 | N182-F184 PolarHBondContact O-N 3.17Å; N182-F184 WeakPolarHBondContact OD1-CB 2.77Å; N182-F184 PolarHBondContact OD1-N 2.95Å; N182-E185 VanDerWaalsContact CG-CD 3.48Å; N182-E185 PolarHBondContact N-OE2 3.45Å; N182-E185 PolarHBondContact ND2-OE1 2.92Å; N182-E185 VanDerWaalsContact ND2-OE1 3.13Å; N182-E185 PolarHBondContact ND2-OE2 2.85Å; N182-E185 PolarHBondContact O-N 2.95Å; N182-E185 PolarHBondContact OD1-N 3.22Å; N182-K186 WeakPolarHBondContact O-CG 3.14Å; N182-K186 PolarHBondContact O-N 2.91Å; N182-K186 VanDerWaalsContact O-N 3.11Å | ||
| 183 | R | 71.6 | Confident | 80.8 | Confident | 93 Ų | 93 | 24.9 Ų | 24.9 | 35% | 0.351 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -59.6 | -35.8 | -174.6 | -60.5 | -178.7 | 72.3 | -164.3 | 8.7 | 112.8 | K186 L187 E672 D729 | R183-K186 PolarHBondContact O-N 3.45Å; R183-L187 PolarHBondContact O-N 2.89Å; R183-E672 IonicContact CZ-OE1 3.38Å; R183-E672 IonicContact CZ-OE2 3.21Å; R183-E672 IonicContact NH1-OE1 3.82Å; R183-E672 PolarHBondContact NH1-OE1 3.01Å; R183-E672 IonicContact NH1-OE2 2.84Å; R183-E672 PolarHBondContact NH1-OE2 3.23Å; R183-D729 IonicContact CZ-OD2 2.96Å; R183-D729 IonicContact NH2-OD1 3.68Å; R183-D729 PolarHBondContact NH2-OD1 3.18Å; R183-D729 IonicContact NH2-OD2 2.7Å; R183-D729 PolarHBondContact NH2-OD2 3.18Å |
| 184 | F | 67 | Low | 80 | Confident | 16 Ų | 16 | 28 Ų | 28 | 7% | 0.07 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -72.3 | -41.2 | -178.7 | -158.1 | -94.8 | 0 | 0 | 0 | 111.7 | R144 N182 K186 L187 K188 D649 A652 | R144-F184 WeakPolarHBondContact O-CD1 3.24Å; R144-F184 WeakPolarHBondContact O-CE1 3.34Å; N182-F184 PolarHBondContact O-N 3.17Å; N182-F184 WeakPolarHBondContact OD1-CB 2.77Å; N182-F184 PolarHBondContact OD1-N 2.95Å; F184-K186 VanDerWaalsContact C-N 3.29Å; F184-K186 PolarHBondContact O-N 3.19Å; F184-L187 PolarHBondContact O-N 2.99Å; F184-K188 HydrophobicContact CD1-CG 3.8Å; F184-K188 HydrophobicContact CE1-CD 4.11Å; F184-K188 HydrophobicContact CE1-CG 3.71Å; F184-K188 VanDerWaalsContact CZ-CE 3.45Å; F184-K188 HydrophobicContact CZ-CG 4.5Å; F184-K188 WeakPolarHBondContact O-CB 3.38Å; F184-K188 VanDerWaalsContact O-CG 3.29Å; F184-K188 WeakPolarHBondContact O-CG 3.42Å; F184-K188 PolarHBondContact O-N 3.37Å; F184-D649 WeakPolarHBondContact CE2-O 3.46Å; F184-A652 HydrophobicContact CD2-CB 4.17Å; F184-A652 HydrophobicContact CE2-CB 4.43Å |
| 185 | E | 69.9 | Low | 78.8 | Confident | 25 Ų | 25 | 28.3 Ų | 28.3 | 12% | 0.117 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.2 | -42.1 | 171.8 | -75.3 | 162.7 | 170.1 | 0 | 0 | 111.2 | N182 K188 A189 | N182-E185 VanDerWaalsContact CG-CD 3.48Å; N182-E185 PolarHBondContact N-OE2 3.45Å; N182-E185 PolarHBondContact ND2-OE1 2.92Å; N182-E185 VanDerWaalsContact ND2-OE1 3.13Å; N182-E185 PolarHBondContact ND2-OE2 2.85Å; N182-E185 PolarHBondContact O-N 2.95Å; N182-E185 PolarHBondContact OD1-N 3.22Å; E185-K188 PolarHBondContact O-N 2.89Å; E185-A189 VanDerWaalsContact O-CB 3.27Å; E185-A189 WeakPolarHBondContact O-CB 3.15Å; E185-A189 PolarHBondContact O-N 3.02Å |
| 186 | K | 81.5 | Confident | 77.8 | Confident | 43 Ų | 43 | 28.3 Ų | 28.3 | 19% | 0.187 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.4 | -46.9 | 174.3 | -63.3 | -172.7 | -174.2 | -160.6 | 0 | 112.1 | Q175 C177 S181 N182 R183 F184 K188 A189 T190 D211 L731 | Q175-K186 PolarHBondContact NE2-O 2.91Å; C177-K186 HydrophobicContact CB-CD 4.14Å; C177-K186 HydrophobicContact CB-CG 4.16Å; S181-K186 WeakPolarHBondContact OG-CE 3.25Å; N182-K186 WeakPolarHBondContact O-CG 3.14Å; N182-K186 PolarHBondContact O-N 2.91Å; N182-K186 VanDerWaalsContact O-N 3.11Å; R183-K186 PolarHBondContact O-N 3.45Å; F184-K186 VanDerWaalsContact C-N 3.29Å; F184-K186 PolarHBondContact O-N 3.19Å; K186-K188 VanDerWaalsContact C-N 3.32Å; K186-K188 PolarHBondContact O-N 3.47Å; K186-A189 PolarHBondContact O-N 3.07Å; K186-T190 PolarHBondContact O-N 3.23Å; K186-T190 PolarHBondContact O-OG1 3.03Å; K186-D211 IonicContact NZ-OD1 3.82Å; K186-D211 PolarHBondContact NZ-OD1 3.16Å; K186-L731 HydrophobicContact CB-CD1 4Å; K186-L731 HydrophobicContact CB-CD2 4.04Å; K186-L731 HydrophobicContact CD-CD2 4.19Å |
| 187 | L | 72.3 | Confident | 77 | Confident | 17 Ų | 17 | 30.1 Ų | 30.1 | 9% | 0.089 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.9 | -42.2 | 177.8 | 179.3 | 64.8 | 0 | 0 | 0 | 111.4 | R183 F184 T190 Q191 L731 A734 | R183-L187 PolarHBondContact O-N 2.89Å; F184-L187 PolarHBondContact O-N 2.99Å; L187-T190 VanDerWaalsContact O-CB 3.31Å; L187-T190 WeakPolarHBondContact O-CB 3.21Å; L187-T190 PolarHBondContact O-N 3.02Å; L187-Q191 PolarHBondContact O-N 2.82Å; L187-Q191 VanDerWaalsContact O-N 3.09Å; L187-L731 HydrophobicContact CB-CD1 4.3Å; L187-A734 HydrophobicContact CD1-CB 3.61Å |
| 188 | K | 71 | Confident | 76 | Confident | 18 Ų | 18 | 32.7 Ų | 32.7 | 8% | 0.078 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -72.6 | -38.3 | 179.4 | -69.7 | -58.8 | -169.2 | -178.9 | 0 | 112.8 | V147 F184 E185 K186 T190 Q191 V192 | V147-K188 HydrophobicContact CB-CB 4.31Å; V147-K188 HydrophobicContact CG1-CB 4.03Å; V147-K188 HydrophobicContact CG2-CB 3.4Å; V147-K188 HydrophobicContact CG2-CD 3.78Å; V147-K188 HydrophobicContact CG2-CG 3.38Å; F184-K188 HydrophobicContact CD1-CG 3.8Å; F184-K188 HydrophobicContact CE1-CD 4.11Å; F184-K188 HydrophobicContact CE1-CG 3.71Å; F184-K188 VanDerWaalsContact CZ-CE 3.45Å; F184-K188 HydrophobicContact CZ-CG 4.5Å; F184-K188 WeakPolarHBondContact O-CB 3.38Å; F184-K188 VanDerWaalsContact O-CG 3.29Å; F184-K188 WeakPolarHBondContact O-CG 3.42Å; F184-K188 PolarHBondContact O-N 3.37Å; E185-K188 PolarHBondContact O-N 2.89Å; K186-K188 VanDerWaalsContact C-N 3.32Å; K186-K188 PolarHBondContact O-N 3.47Å; K188-T190 PolarHBondContact O-N 3.12Å; K188-Q191 WeakPolarHBondContact O-CB 3.36Å; K188-Q191 PolarHBondContact O-N 3.02Å; K188-Q191 VanDerWaalsContact O-N 3.08Å; K188-V192 WeakPolarHBondContact O-CG2 3.5Å; K188-V192 PolarHBondContact O-N 3Å |
| 189 | A | 80.1 | Confident | 75 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.8 | -39.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V141 C164 Q175 E185 K186 Q191 V192 A193 | V141-A189 HydrophobicContact CB-CB 4.27Å; V141-A189 HydrophobicContact CG1-CB 4.08Å; V141-A189 HydrophobicContact CG2-CB 4.36Å; C164-A189 HydrophobicContact CB-CB 3.55Å; Q175-A189 HydrophobicContact CG-CB 4.27Å; E185-A189 VanDerWaalsContact O-CB 3.27Å; E185-A189 WeakPolarHBondContact O-CB 3.15Å; E185-A189 PolarHBondContact O-N 3.02Å; K186-A189 PolarHBondContact O-N 3.07Å; A189-Q191 PolarHBondContact O-N 3.11Å; A189-V192 PolarHBondContact O-N 2.91Å; A189-A193 WeakPolarHBondContact O-CB 3.35Å; A189-A193 PolarHBondContact O-N 3.49Å |
| 190 | T | 81.1 | Confident | 74.1 | Confident | 4 Ų | 4 | 34.2 Ų | 34.2 | 3% | 0.025 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60 | -43.4 | 172 | -63.1 | 0 | 0 | 0 | 0 | 112 | Q175 K186 L187 K188 A193 K194 A734 L738 | Q175-T190 PolarHBondContact NE2-OG1 2.81Å; Q175-T190 VanDerWaalsContact NE2-OG1 3.12Å; Q175-T190 PolarHBondContact OE1-OG1 3.26Å; K186-T190 PolarHBondContact O-N 3.23Å; K186-T190 PolarHBondContact O-OG1 3.03Å; L187-T190 VanDerWaalsContact O-CB 3.31Å; L187-T190 WeakPolarHBondContact O-CB 3.21Å; L187-T190 PolarHBondContact O-N 3.02Å; K188-T190 PolarHBondContact O-N 3.12Å; T190-A193 PolarHBondContact O-N 2.89Å; T190-K194 WeakPolarHBondContact O-CB 3.39Å; T190-K194 PolarHBondContact O-N 3.06Å; T190-A734 HydrophobicContact CG2-CB 4.11Å; T190-L738 HydrophobicContact CG2-CD1 3.68Å; T190-L738 HydrophobicContact CG2-CG 4.19Å |
| 191 | Q | 74.1 | Confident | 73.8 | Confident | 55 Ų | 55 | 30.2 Ų | 30.2 | 26% | 0.257 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -62.3 | -42.2 | 175.3 | -68.1 | 179.3 | -7.9 | 0 | 0 | 112 | L187 K188 A189 G195 | L187-Q191 PolarHBondContact O-N 2.82Å; L187-Q191 VanDerWaalsContact O-N 3.09Å; K188-Q191 WeakPolarHBondContact O-CB 3.36Å; K188-Q191 PolarHBondContact O-N 3.02Å; K188-Q191 VanDerWaalsContact O-N 3.08Å; A189-Q191 PolarHBondContact O-N 3.11Å; Q191-G195 PolarHBondContact O-N 2.97Å |
| 192 | V | 74.3 | Confident | 73.6 | Confident | 7 Ų | 7 | 33.2 Ų | 33.2 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64 | -46.4 | 176.2 | 177.2 | 0 | 0 | 0 | 0 | 111 | V147 A149 I166 K188 A189 K194 G195 I196 | V147-V192 HydrophobicContact CG1-CG2 4.11Å; A149-V192 HydrophobicContact CB-CG1 3.97Å; I166-V192 HydrophobicContact CD1-CB 3.82Å; I166-V192 HydrophobicContact CD1-CG1 3.54Å; K188-V192 WeakPolarHBondContact O-CG2 3.5Å; K188-V192 PolarHBondContact O-N 3Å; A189-V192 PolarHBondContact O-N 2.91Å; V192-K194 PolarHBondContact O-N 3.08Å; V192-G195 PolarHBondContact O-N 2.78Å; V192-I196 HydrophobicContact CG1-CD1 4.31Å; V192-I196 WeakPolarHBondContact O-CG1 3.29Å; V192-I196 PolarHBondContact O-N 3.32Å |
| 193 | A | 80.9 | Confident | 73.5 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.1 | -42.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I166 I173 A189 T190 I196 R197 V207 | I166-A193 HydrophobicContact CD1-CB 4.01Å; I173-A193 HydrophobicContact CG2-CB 4.33Å; A189-A193 WeakPolarHBondContact O-CB 3.35Å; A189-A193 PolarHBondContact O-N 3.49Å; T190-A193 PolarHBondContact O-N 2.89Å; A193-I196 PolarHBondContact O-N 2.77Å; A193-R197 PolarHBondContact O-N 2.95Å; A193-R197 VanDerWaalsContact O-N 3.07Å; A193-V207 HydrophobicContact CB-CG1 3.82Å; A193-V207 HydrophobicContact CB-CG2 4.5Å |
| 194 | K | 75.1 | Confident | 73.8 | Confident | 65 Ų | 65 | 36.7 Ų | 36.7 | 28% | 0.283 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.6 | -42.6 | 172.9 | -171.9 | 175.1 | -179.5 | -178.7 | 0 | 111.3 | T190 V192 I196 R197 D198 E737 L738 | T190-K194 WeakPolarHBondContact O-CB 3.39Å; T190-K194 PolarHBondContact O-N 3.06Å; V192-K194 PolarHBondContact O-N 3.08Å; K194-I196 VanDerWaalsContact C-N 3.35Å; K194-I196 PolarHBondContact O-N 3.27Å; K194-R197 WeakPolarHBondContact O-CB 3.31Å; K194-R197 PolarHBondContact O-N 2.91Å; K194-D198 VanDerWaalsContact CG-OD2 3.32Å; K194-D198 WeakPolarHBondContact CG-OD2 3.36Å; K194-D198 WeakPolarHBondContact O-CB 2.84Å; K194-D198 PolarHBondContact O-N 3.45Å; K194-E737 IonicContact NZ-OE2 2.76Å; K194-E737 PolarHBondContact NZ-OE2 3.15Å; K194-L738 HydrophobicContact CB-CD2 4.35Å |
| 195 | G | 67.3 | Low | 74.4 | Confident | 12 Ų | 12 | 36.3 Ų | 36.3 | 12% | 0.124 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.7 | -40 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q191 V192 N199 | Q191-G195 PolarHBondContact O-N 2.97Å; V192-G195 PolarHBondContact O-N 2.78Å; G195-N199 WeakPolarHBondContact O-CB 3.43Å; G195-N199 PolarHBondContact O-N 3.33Å |
| 196 | I | 73.4 | Confident | 75.2 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | I | π-helix | trans | -63.9 | -47.6 | 174 | -63.5 | 164.1 | 0 | 0 | 0 | 110.1 | L139 I166 I173 V192 A193 K194 D198 E200 R201 | L139-I196 HydrophobicContact CD1-CD1 3.54Å; I166-I196 HydrophobicContact CD1-CD1 4.41Å; I166-I196 HydrophobicContact CG2-CD1 4.14Å; I173-I196 HydrophobicContact CD1-CB 4.13Å; I173-I196 HydrophobicContact CD1-CG2 3.71Å; V192-I196 HydrophobicContact CG1-CD1 4.31Å; V192-I196 WeakPolarHBondContact O-CG1 3.29Å; V192-I196 PolarHBondContact O-N 3.32Å; A193-I196 PolarHBondContact O-N 2.77Å; K194-I196 VanDerWaalsContact C-N 3.35Å; K194-I196 PolarHBondContact O-N 3.27Å; I196-D198 PolarHBondContact O-N 3.05Å; I196-E200 HydrophobicContact CG2-CB 4.46Å; I196-E200 WeakPolarHBondContact O-CA 3.3Å; I196-E200 VanDerWaalsContact O-CB 3.3Å; I196-E200 WeakPolarHBondContact O-CB 3.4Å; I196-E200 PolarHBondContact O-N 3.18Å; I196-E200 VanDerWaalsContact O-N 3.09Å; I196-R201 PolarHBondContact O-N 2.97Å; I196-R201 VanDerWaalsContact O-N 3.15Å |
| 197 | R | 78.9 | Confident | 75.4 | Confident | 38 Ų | 38 | 41.9 Ų | 41.9 | 14% | 0.143 | 21% | 0.207 | C | C | . | . | I | π-helix | trans | -56.7 | -52.4 | 177.2 | -177.5 | -166.9 | 70.5 | 179.5 | 2.2 | 111.6 | I173 A193 K194 R201 S202 G203 A205 V207 | I173-R197 HydrophobicContact CD1-CB 4.15Å; A193-R197 PolarHBondContact O-N 2.95Å; A193-R197 VanDerWaalsContact O-N 3.07Å; K194-R197 WeakPolarHBondContact O-CB 3.31Å; K194-R197 PolarHBondContact O-N 2.91Å; R197-R201 CarbonylContact O-C 3.59Å; R197-R201 WeakPolarHBondContact O-CA 3.39Å; R197-R201 VanDerWaalsContact O-CB 3.3Å; R197-R201 WeakPolarHBondContact O-CB 3.25Å; R197-R201 PolarHBondContact O-N 3.03Å; R197-S202 PolarHBondContact O-N 3.32Å; R197-G203 WeakPolarHBondContact O-CA 3.4Å; R197-G203 PolarHBondContact O-N 2.88Å; R197-A205 VanDerWaalsContact CD-O 3.26Å; R197-A205 WeakPolarHBondContact CD-O 3.41Å; R197-A205 HydrophobicContact CG-CB 4.21Å; R197-A205 VanDerWaalsContact CG-O 3.26Å; R197-A205 WeakPolarHBondContact CG-O 3.06Å; R197-V207 HydrophobicContact CB-CG2 4.1Å |
| 198 | D | 70.8 | Confident | 76.3 | Confident | 56 Ų | 56 | 43.2 Ų | 43.2 | 30% | 0.299 | 21% | 0.211 | S | C | . | . | I | π-helix | trans | -78.5 | -46 | -169.4 | -65.7 | -17.3 | 0 | 0 | 0 | 111.3 | K194 I196 S202 | K194-D198 VanDerWaalsContact CG-OD2 3.32Å; K194-D198 WeakPolarHBondContact CG-OD2 3.36Å; K194-D198 WeakPolarHBondContact O-CB 2.84Å; K194-D198 PolarHBondContact O-N 3.45Å; I196-D198 PolarHBondContact O-N 3.05Å; D198-S202 WeakPolarHBondContact O-CA 3.4Å; D198-S202 PolarHBondContact O-N 3.07Å |
| 199 | N | 67.4 | Low | 77.2 | Confident | 73 Ų | 73 | 43.8 Ų | 43.8 | 39% | 0.39 | 22% | 0.216 | S | C | . | . | I | π-helix | trans | -89.9 | -38.7 | -171 | -56.2 | -25.6 | 0 | 0 | 0 | 113.3 | N33 G195 | N33-N199 PolarHBondContact ND2-O 2.89Å; N33-N199 WeakPolarHBondContact O-CB 3.45Å; G195-N199 WeakPolarHBondContact O-CB 3.43Å; G195-N199 PolarHBondContact O-N 3.33Å |
| 200 | E | 70.9 | Confident | 77.7 | Confident | 34 Ų | 34 | 44.2 Ų | 44.2 | 16% | 0.159 | 22% | 0.218 | C | C | . | . | I | π-helix | trans | -91.8 | -28.7 | -179.2 | -58.6 | -175.1 | -151.3 | 0 | 0 | 112.8 | L34 K115 R137 I196 | L34-E200 HydrophobicContact CD2-CG 4.2Å; K115-E200 IonicContact NZ-OE1 2.79Å; K115-E200 PolarHBondContact NZ-OE1 3.38Å; R137-E200 IonicContact CZ-OE2 2.71Å; R137-E200 IonicContact NH1-OE2 2.77Å; R137-E200 IonicContact NH2-OE1 2.69Å; R137-E200 PolarHBondContact NH2-OE1 2.66Å; R137-E200 IonicContact NH2-OE2 2.99Å; R137-E200 PolarHBondContact NH2-OE2 2.92Å; I196-E200 HydrophobicContact CG2-CB 4.46Å; I196-E200 WeakPolarHBondContact O-CA 3.3Å; I196-E200 VanDerWaalsContact O-CB 3.3Å; I196-E200 WeakPolarHBondContact O-CB 3.4Å; I196-E200 PolarHBondContact O-N 3.18Å; I196-E200 VanDerWaalsContact O-N 3.09Å |
| 201 | R | 75.6 | Confident | 78.1 | Confident | 30 Ų | 30 | 47.4 Ų | 47.4 | 11% | 0.113 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -110.1 | 1.7 | -178.7 | -47.7 | -65.2 | 155.8 | 63.8 | 5.6 | 113.6 | D168 G170 I196 R197 G203 R204 A205 | D168-R201 VanDerWaalsContact CG-NH2 3.32Å; D168-R201 IonicContact OD1-CZ 3.34Å; D168-R201 IonicContact OD1-NH1 3.84Å; D168-R201 PolarHBondContact OD1-NH1 3.33Å; D168-R201 IonicContact OD1-NH2 3.48Å; D168-R201 PolarHBondContact OD1-NH2 3.02Å; D168-R201 VanDerWaalsContact OD1-NH2 3.14Å; D168-R201 IonicContact OD2-CZ 2.71Å; D168-R201 IonicContact OD2-NH1 3.96Å; D168-R201 IonicContact OD2-NH2 3.63Å; D168-R201 PolarHBondContact OD2-NH2 3.28Å; G170-R201 PolarHBondContact O-NH1 2.83Å; I196-R201 PolarHBondContact O-N 2.97Å; I196-R201 VanDerWaalsContact O-N 3.15Å; R197-R201 CarbonylContact O-C 3.59Å; R197-R201 WeakPolarHBondContact O-CA 3.39Å; R197-R201 VanDerWaalsContact O-CB 3.3Å; R197-R201 WeakPolarHBondContact O-CB 3.25Å; R197-R201 PolarHBondContact O-N 3.03Å; R201-G203 PolarHBondContact O-N 3.26Å; R201-R204 WeakPolarHBondContact O-CB 3.49Å; R201-R204 PolarHBondContact O-N 2.81Å; R201-R204 VanDerWaalsContact O-N 3.15Å; R201-R204 PolarHBondContact O-NE 2.92Å; R201-A205 HydrophobicContact CB-CB 3.91Å; R201-A205 HydrophobicContact CG-CB 3.87Å |
| 202 | S | 71.4 | Confident | 78.9 | Confident | 75 Ų | 75 | 46.7 Ų | 46.7 | 52% | 0.524 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 38.1 | -178.8 | -46.7 | 0 | 0 | 0 | 0 | 112.2 | R197 D198 R204 | R197-S202 PolarHBondContact O-N 3.32Å; D198-S202 WeakPolarHBondContact O-CA 3.4Å; D198-S202 PolarHBondContact O-N 3.07Å; S202-R204 VanDerWaalsContact C-N 3.3Å; S202-R204 PolarHBondContact O-N 3.29Å |
| 203 | G | 69.6 | Low | 79.6 | Confident | 39 Ų | 39 | 49.3 Ų | 49.3 | 40% | 0.402 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 1.2 | -180 | 0 | 0 | 0 | 0 | 0 | 115.4 | R197 R201 | R197-G203 WeakPolarHBondContact O-CA 3.4Å; R197-G203 PolarHBondContact O-N 2.88Å; R201-G203 PolarHBondContact O-N 3.26Å |
| 204 | R | 76.3 | Confident | 80.1 | Confident | 164 Ų | 164 | 52.2 Ų | 52.2 | 62% | 0.619 | 28% | 0.284 | S | S | * | . | trans | -87.6 | -1.4 | -170.4 | -61.7 | -178.9 | -67.6 | 145.8 | -4.2 | 115.5 | R201 S202 | R201-R204 WeakPolarHBondContact O-CB 3.49Å; R201-R204 PolarHBondContact O-N 2.81Å; R201-R204 VanDerWaalsContact O-N 3.15Å; R201-R204 PolarHBondContact O-NE 2.92Å; S202-R204 VanDerWaalsContact C-N 3.3Å; S202-R204 PolarHBondContact O-N 3.29Å | ||
| 205 | A | 80.4 | Confident | 80.9 | Confident | 7 Ų | 7 | 51.1 Ų | 51.1 | 6% | 0.058 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -99.5 | 158.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | A171 I173 R197 R201 | A171-A205 CarbonylContact O-C 3.51Å; A171-A205 VanDerWaalsContact O-CA 3.32Å; A171-A205 WeakPolarHBondContact O-CA 3.32Å; I173-A205 HydrophobicContact CD1-CB 3.85Å; I173-A205 HydrophobicContact CG1-CB 4.31Å; R197-A205 VanDerWaalsContact CD-O 3.26Å; R197-A205 WeakPolarHBondContact CD-O 3.41Å; R197-A205 HydrophobicContact CG-CB 4.21Å; R197-A205 VanDerWaalsContact CG-O 3.26Å; R197-A205 WeakPolarHBondContact CG-O 3.06Å; R201-A205 HydrophobicContact CB-CB 3.91Å; R201-A205 HydrophobicContact CG-CB 3.87Å |
| 206 | R | 86 | Confident | 82 | Confident | 173 Ų | 173 | 55.8 Ų | 55.8 | 65% | 0.653 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 137.4 | 173 | -69.7 | -176.7 | 175.1 | 176.4 | -3.8 | 110.7 | A171 I173 Y208 | A171-R206 PolarHBondContact O-N 3.01Å; I173-R206 PolarHBondContact N-O 3.44Å; R206-Y208 HydrophobicContact CB-CE2 3.95Å; R206-Y208 WeakPolarHBondContact CD-OH 3.45Å |
| 207 | V | 86.1 | Confident | 82.7 | Confident | 13 Ų | 13 | 63.8 Ų | 63.8 | 8% | 0.079 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 130.2 | 177.2 | -177.8 | 0 | 0 | 0 | 0 | 109.2 | I173 A193 R197 L738 | I173-V207 HydrophobicContact CB-CG2 4.25Å; I173-V207 HydrophobicContact CD1-CG2 4.27Å; I173-V207 CarbonylContact O-C 3.59Å; I173-V207 WeakPolarHBondContact O-CA 3.41Å; A193-V207 HydrophobicContact CB-CG1 3.82Å; A193-V207 HydrophobicContact CB-CG2 4.5Å; R197-V207 HydrophobicContact CB-CG2 4.1Å; V207-L738 HydrophobicContact CB-CD1 4.45Å; V207-L738 HydrophobicContact CB-CD2 4.16Å; V207-L738 HydrophobicContact CG1-CD1 3.9Å; V207-L738 HydrophobicContact CG1-CD2 4.3Å; V207-L738 HydrophobicContact CG2-CD2 4.41Å |
| 208 | Y | 91.5 | Very high | 83.2 | Confident | 44 Ų | 44 | 65.5 Ų | 65.5 | 17% | 0.173 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 122 | 178.5 | -61.7 | -68.6 | 0 | 0 | 0 | 109.6 | E172 I173 Y174 Q175 R206 | E172-Y208 HydrophobicContact CB-CD2 4.45Å; E172-Y208 HydrophobicContact CB-CE2 4.08Å; E172-Y208 HydrophobicContact CG-CE2 4.02Å; E172-Y208 WeakPolarHBondContact OE1-CE2 3.12Å; I173-Y208 PolarHBondContact O-N 3.09Å; Y174-Y208 CarbonylContact C-O 3.28Å; Y174-Y208 WeakPolarHBondContact CA-O 3.31Å; Y174-Y208 AromaticContact CD1-CD2 3.92Å; Y174-Y208 HydrophobicContact CD1-CD2 3.92Å; Y174-Y208 HydrophobicContact CD1-CG 4.18Å; Y174-Y208 AromaticContact CE1-CD2 3.51Å; Y174-Y208 HydrophobicContact CE1-CD2 3.51Å; Y174-Y208 HydrophobicContact CE1-CE2 4.26Å; Y174-Y208 HydrophobicContact CE1-CG 4.02Å; Y174-Y208 AromaticContact CZ-CD2 3.93Å; Q175-Y208 PolarHBondContact N-O 3.4Å; R206-Y208 HydrophobicContact CB-CE2 3.95Å; R206-Y208 WeakPolarHBondContact CD-OH 3.45Å |
| 209 | V | 89.4 | Confident | 84.2 | Confident | 31 Ų | 31 | 62.9 Ų | 62.9 | 19% | 0.188 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 134.9 | 175.1 | -170.9 | 0 | 0 | 0 | 0 | 109.5 | Q175 M735 L738 | Q175-V209 HydrophobicContact CB-CG2 4.3Å; Q175-V209 HydrophobicContact CG-CG1 4.3Å; Q175-V209 CarbonylContact O-C 3.52Å; Q175-V209 WeakPolarHBondContact O-CA 3.43Å; V209-M735 HydrophobicContact CB-CE 3.96Å; V209-M735 HydrophobicContact CG1-CE 3.85Å; V209-M735 HydrophobicContact CG2-CE 4.43Å; V209-L738 HydrophobicContact CG2-CD1 3.79Å |
| 210 | C | 90.9 | Very high | 85.3 | Confident | 8 Ų | 8 | 61.9 Ų | 61.9 | 5% | 0.054 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 142.2 | 172.1 | 46.1 | 0 | 0 | 0 | 0 | 111.3 | Q175 W176 C177 A214 | Q175-C210 PolarHBondContact O-N 3.23Å; W176-C210 CarbonylContact C-O 3.54Å; W176-C210 VanDerWaalsContact CA-O 3.27Å; W176-C210 WeakPolarHBondContact CA-O 3.24Å; C177-C210 PolarHBondContact N-O 3.3Å; C210-A214 WeakPolarHBondContact CB-O 3.08Å |
| 211 | D | 90.8 | Very high | 86.3 | Confident | 72 Ų | 72 | 66.5 Ų | 66.5 | 39% | 0.385 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 162 | 170.4 | -65.5 | -71.1 | 0 | 0 | 0 | 110.7 | C177 K186 G213 A214 | C177-D211 WeakPolarHBondContact CB-OD1 3.5Å; C177-D211 CarbonylContact O-C 3.56Å; C177-D211 WeakPolarHBondContact O-CA 3.44Å; K186-D211 IonicContact NZ-OD1 3.82Å; K186-D211 PolarHBondContact NZ-OD1 3.16Å; D211-G213 PolarHBondContact O-N 2.91Å; D211-A214 WeakPolarHBondContact O-CB 3.47Å; D211-A214 PolarHBondContact O-N 2.73Å |
| 212 | E | 90.8 | Very high | 87 | Confident | 40 Ų | 40 | 67 Ų | 67 | 19% | 0.187 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | 127.4 | 173.4 | 179.3 | 166.2 | -159.5 | 0 | 0 | 112 | W176 C177 S179 K226 | W176-E212 HydrophobicContact CH2-CB 4.11Å; W176-E212 HydrophobicContact CH2-CG 4.36Å; W176-E212 HydrophobicContact CZ2-CB 3.52Å; W176-E212 HydrophobicContact CZ2-CG 3.74Å; C177-E212 PolarHBondContact O-N 2.95Å; S179-E212 WeakPolarHBondContact CB-OE2 3.29Å; S179-E212 PolarHBondContact N-OE2 3.33Å; S179-E212 VanDerWaalsContact N-OE2 3.14Å; S179-E212 PolarHBondContact OG-OE2 3.43Å; E212-K226 IonicContact OE1-NZ 2.76Å; E212-K226 PolarHBondContact OE1-NZ 2.92Å |
| 213 | G | 88.4 | Confident | 88 | Confident | 61 Ų | 61 | 64.4 Ų | 64.4 | 63% | 0.629 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.2 | -5.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | D211 E215 | D211-G213 PolarHBondContact O-N 2.91Å; G213-E215 WeakPolarHBondContact CA-OE2 3.42Å; G213-E215 PolarHBondContact N-OE1 2.98Å; G213-E215 PolarHBondContact N-OE2 2.83Å |
| 214 | A | 91.5 | Very high | 89 | Confident | 62 Ų | 62 | 63.6 Ų | 63.6 | 51% | 0.512 | 32% | 0.323 | S | S | . | . | trans | -117.1 | 31.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | C210 D211 R216 | C210-A214 WeakPolarHBondContact CB-O 3.08Å; D211-A214 WeakPolarHBondContact O-CB 3.47Å; D211-A214 PolarHBondContact O-N 2.73Å; A214-R216 PolarHBondContact O-N 3.1Å | ||
| 215 | E | 91.3 | Very high | 89.7 | Confident | 41 Ų | 41 | 61.5 Ų | 61.5 | 19% | 0.192 | 33% | 0.33 | C | S | . | . | trans | -59.9 | 136.9 | -179.4 | -62.6 | 72.6 | -155.8 | 0 | 0 | 111.4 | W156 W176 G213 M219 T220 K226 | W156-E215 HydrophobicContact CH2-CG 3.91Å; W156-E215 HydrophobicContact CZ2-CG 4.35Å; W176-E215 PolarHBondContact NE1-OE1 3.41Å; G213-E215 WeakPolarHBondContact CA-OE2 3.42Å; G213-E215 PolarHBondContact N-OE1 2.98Å; G213-E215 PolarHBondContact N-OE2 2.83Å; E215-M219 HydrophobicContact CG-SD 4.36Å; E215-T220 HydrophobicContact CB-CG2 4.11Å; E215-K226 HydrophobicContact CG-CD 4.38Å; E215-K226 VanDerWaalsContact OE1-CD 3.24Å; E215-K226 WeakPolarHBondContact OE1-CD 3.22Å | ||
| 216 | R | 90 | Very high | 90.3 | Very high | 111 Ų | 111 | 64.2 Ų | 64.2 | 42% | 0.419 | 34% | 0.341 | S | S | . | . | trans | -77.6 | 152 | 175.7 | -64.8 | -173.5 | 178.9 | -135 | 1.9 | 110.8 | Y174 A214 K218 M219 T220 | Y174-R216 HydrophobicContact CD1-CB 4.49Å; Y174-R216 HydrophobicContact CE1-CB 4.29Å; A214-R216 PolarHBondContact O-N 3.1Å; R216-K218 PolarHBondContact O-N 2.76Å; R216-K218 VanDerWaalsContact O-N 3.14Å; R216-M219 VanDerWaalsContact O-CB 3.31Å; R216-M219 WeakPolarHBondContact O-CB 3.46Å; R216-M219 PolarHBondContact O-N 2.83Å; R216-T220 PolarHBondContact O-N 2.87Å | ||
| 217 | E | 89.3 | Confident | 90.6 | Very high | 168 Ų | 168 | 58.8 Ų | 58.8 | 79% | 0.785 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -53.4 | -38.6 | -178.5 | -168.6 | 175.9 | -167.1 | 0 | 0 | 113.1 | M219 T220 E221 | E217-M219 VanDerWaalsContact C-N 3.28Å; E217-M219 PolarHBondContact O-N 2.84Å; E217-T220 PolarHBondContact O-N 2.68Å; E217-T220 PolarHBondContact O-OG1 3.35Å; E217-E221 WeakPolarHBondContact O-CB 3.21Å; E217-E221 PolarHBondContact O-N 2.82Å |
| 218 | K | 89.7 | Confident | 90.9 | Very high | 74 Ų | 74 | 65.8 Ų | 65.8 | 32% | 0.322 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66.5 | -29.9 | 178.8 | -163.7 | 55.4 | 170.3 | -179.5 | 0 | 113.4 | L169 Y174 R216 E221 V222 | L169-K218 HydrophobicContact CD1-CG 4Å; Y174-K218 HydrophobicContact CE1-CB 4.43Å; Y174-K218 HydrophobicContact CE2-CB 4.4Å; Y174-K218 HydrophobicContact CE2-CG 4.25Å; Y174-K218 VanDerWaalsContact OH-CB 3.29Å; Y174-K218 WeakPolarHBondContact OH-CB 3.38Å; Y174-K218 WeakPolarHBondContact OH-CG 3.25Å; R216-K218 PolarHBondContact O-N 2.76Å; R216-K218 VanDerWaalsContact O-N 3.14Å; K218-E221 WeakPolarHBondContact CD-OE2 3.04Å; K218-E221 IonicContact NZ-OE1 3.51Å; K218-E221 PolarHBondContact NZ-OE1 3.5Å; K218-E221 IonicContact NZ-OE2 3.91Å; K218-E221 PolarHBondContact NZ-OE2 2.65Å; K218-V222 WeakPolarHBondContact O-CG2 3.31Å; K218-V222 PolarHBondContact O-N 3.48Å |
| 219 | M | 91.7 | Very high | 90.9 | Very high | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -72.7 | -41.4 | 178 | -170.8 | 175.2 | 178.3 | 0 | 0 | 110.7 | W156 F159 L167 W176 E215 R216 E217 V222 L223 | W156-M219 HydrophobicContact CH2-CE 3.64Å; W156-M219 HydrophobicContact CH2-SD 4.46Å; W156-M219 HydrophobicContact CZ2-CE 4.43Å; W156-M219 HydrophobicContact CZ3-CE 4.1Å; F159-M219 HydrophobicContact CE1-CE 3.58Å; F159-M219 HydrophobicContact CZ-CE 3.75Å; L167-M219 HydrophobicContact CD2-CB 4.35Å; L167-M219 HydrophobicContact CD2-CG 3.9Å; W176-M219 HydrophobicContact CB-CE 3.61Å; W176-M219 HydrophobicContact CB-SD 4.17Å; W176-M219 HydrophobicContact CG-CE 3.66Å; W176-M219 HydrophobicContact CG-SD 4.26Å; E215-M219 HydrophobicContact CG-SD 4.36Å; R216-M219 VanDerWaalsContact O-CB 3.31Å; R216-M219 WeakPolarHBondContact O-CB 3.46Å; R216-M219 PolarHBondContact O-N 2.83Å; E217-M219 VanDerWaalsContact C-N 3.28Å; E217-M219 PolarHBondContact O-N 2.84Å; M219-V222 PolarHBondContact O-N 2.99Å; M219-L223 HydrophobicContact CE-CD1 3.64Å; M219-L223 HydrophobicContact CG-CD1 3.78Å; M219-L223 WeakPolarHBondContact O-CB 3.31Å; M219-L223 PolarHBondContact O-N 3.35Å |
| 220 | T | 89.9 | Confident | 90.9 | Very high | 52 Ų | 52 | 66.3 Ų | 66.3 | 32% | 0.319 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -73.5 | -27.1 | 176.1 | 53.3 | 0 | 0 | 0 | 0 | 112.9 | E215 R216 E217 V222 G224 | E215-T220 HydrophobicContact CB-CG2 4.11Å; R216-T220 PolarHBondContact O-N 2.87Å; E217-T220 PolarHBondContact O-N 2.68Å; E217-T220 PolarHBondContact O-OG1 3.35Å; T220-V222 VanDerWaalsContact C-N 3.34Å; T220-G224 CarbonylContact O-C 3.39Å; T220-G224 WeakPolarHBondContact O-CA 3.2Å; T220-G224 PolarHBondContact O-N 3.31Å |
| 221 | E | 91.3 | Very high | 90.5 | Very high | 131 Ų | 131 | 70.1 Ų | 70.1 | 61% | 0.612 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -61.9 | -41.6 | 170 | -171.1 | -169.1 | 150.4 | 0 | 0 | 111.7 | E217 K218 | E217-E221 WeakPolarHBondContact O-CB 3.21Å; E217-E221 PolarHBondContact O-N 2.82Å; K218-E221 WeakPolarHBondContact CD-OE2 3.04Å; K218-E221 IonicContact NZ-OE1 3.51Å; K218-E221 PolarHBondContact NZ-OE1 3.5Å; K218-E221 IonicContact NZ-OE2 3.91Å; K218-E221 PolarHBondContact NZ-OE2 2.65Å |
| 222 | V | 91.3 | Very high | 89.6 | Confident | 39 Ų | 39 | 68 Ų | 68 | 24% | 0.236 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -83.4 | -43.1 | -176.2 | 175 | 0 | 0 | 0 | 0 | 112.5 | Q136 V154 L167 L169 K218 M219 T220 | Q136-V222 HydrophobicContact CG-CG1 4.44Å; V154-V222 HydrophobicContact CG1-CG1 3.99Å; L167-V222 HydrophobicContact CD1-CG1 4.39Å; L169-V222 HydrophobicContact CD1-CG2 3.96Å; L169-V222 HydrophobicContact CD2-CG1 4.42Å; L169-V222 HydrophobicContact CD2-CG2 4.36Å; K218-V222 WeakPolarHBondContact O-CG2 3.31Å; K218-V222 PolarHBondContact O-N 3.48Å; M219-V222 PolarHBondContact O-N 2.99Å; T220-V222 VanDerWaalsContact C-N 3.34Å |
| 223 | L | 91.5 | Very high | 88.2 | Confident | 21 Ų | 21 | 69.1 Ų | 69.1 | 11% | 0.11 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -93.9 | -15.1 | -174.5 | -62.1 | 172.2 | 0 | 0 | 0 | 113.3 | V138 V154 W156 F159 L167 M219 | V138-L223 HydrophobicContact CG2-CD2 4.42Å; V154-L223 HydrophobicContact CG1-CD2 3.66Å; W156-L223 HydrophobicContact CD2-CB 4.28Å; W156-L223 HydrophobicContact CD2-CD1 4.34Å; W156-L223 HydrophobicContact CG-CB 4.35Å; W156-L223 HydrophobicContact CH2-CD1 4.13Å; W156-L223 HydrophobicContact CZ2-CB 4.17Å; W156-L223 HydrophobicContact CZ2-CD1 3.93Å; W156-L223 HydrophobicContact CZ3-CD1 4.41Å; F159-L223 HydrophobicContact CE2-CD1 3.94Å; F159-L223 HydrophobicContact CE2-CD2 4.46Å; F159-L223 HydrophobicContact CZ-CD1 3.81Å; L167-L223 HydrophobicContact CD2-CD1 4.41Å; M219-L223 HydrophobicContact CE-CD1 3.64Å; M219-L223 HydrophobicContact CG-CD1 3.78Å; M219-L223 WeakPolarHBondContact O-CB 3.31Å; M219-L223 PolarHBondContact O-N 3.35Å |
| 224 | G | 92 | Very high | 86.5 | Confident | 23 Ų | 23 | 70.6 Ų | 70.6 | 24% | 0.237 | 41% | 0.41 | C | S | . | . | trans | 84.9 | -176 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | W156 T220 | W156-G224 PolarHBondContact NE1-O 3.4Å; T220-G224 CarbonylContact O-C 3.39Å; T220-G224 WeakPolarHBondContact O-CA 3.2Å; T220-G224 PolarHBondContact O-N 3.31Å | ||
| 225 | P | 90.6 | Very high | 84.4 | Confident | 119 Ų | 119 | 73 Ų | 73 | 77% | 0.773 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -65.3 | 135.8 | 178.4 | 27.8 | -33.8 | 0 | 0 | 0 | 111.2 | P227 | P225-P227 WeakPolarHBondContact O-CD 3.35Š|
| 226 | K | 92.6 | Very high | 81.9 | Confident | 65 Ų | 65 | 74.8 Ų | 74.8 | 28% | 0.283 | 43% | 0.425 | S | S | . | . | trans | -67 | 125.5 | -177.7 | -166.5 | -175.2 | 79.5 | 74.7 | 0 | 111.1 | W156 E212 E215 L229 | W156-K226 HydrophobicContact CD2-CG 4.16Å; W156-K226 HydrophobicContact CE3-CG 4.09Å; W156-K226 HydrophobicContact CH2-CB 4.32Å; W156-K226 HydrophobicContact CH2-CD 4.12Å; W156-K226 HydrophobicContact CH2-CG 3.91Å; W156-K226 HydrophobicContact CZ2-CB 3.91Å; W156-K226 HydrophobicContact CZ2-CG 3.96Å; W156-K226 HydrophobicContact CZ3-CD 4.24Å; W156-K226 HydrophobicContact CZ3-CG 3.97Å; E212-K226 IonicContact OE1-NZ 2.76Å; E212-K226 PolarHBondContact OE1-NZ 2.92Å; E215-K226 HydrophobicContact CG-CD 4.38Å; E215-K226 VanDerWaalsContact OE1-CD 3.24Å; E215-K226 WeakPolarHBondContact OE1-CD 3.22Å; K226-L229 HydrophobicContact CD-CD1 4.44Å | ||
| 227 | P | 92.6 | Very high | 79.7 | Confident | 58 Ų | 58 | 75.1 Ų | 75.1 | 38% | 0.377 | 44% | 0.439 | S | S | . | . | trans | -81.9 | -179.2 | 170.2 | 34.9 | -34.4 | 0 | 0 | 0 | 111.8 | W156 P225 L229 | W156-P227 HydrophobicContact CB-CG 3.81Å; W156-P227 VanDerWaalsContact CG-CD 3.47Å; W156-P227 HydrophobicContact CG-CG 4.27Å; P225-P227 WeakPolarHBondContact O-CD 3.35Å; P227-L229 HydrophobicContact CG-CD2 4.2Å; P227-L229 PolarHBondContact O-N 2.8Å | ||
| 228 | D | 91.8 | Very high | 77.3 | Confident | 160 Ų | 160 | 76 Ų | 76 | 86% | 0.856 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 123.5 | 164.4 | -67.9 | -33.8 | 0 | 0 | 0 | 109.1 | ||
| 229 | L | 91.5 | Very high | 74.9 | Confident | 12 Ų | 12 | 74 Ų | 74 | 6% | 0.063 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -93 | 146 | -175.6 | -63.8 | 177.2 | 0 | 0 | 0 | 111.3 | W156 F159 Q161 W176 K226 P227 | W156-L229 HydrophobicContact CE3-CD1 4.48Å; W156-L229 HydrophobicContact CE3-CD2 4.32Å; W156-L229 HydrophobicContact CZ3-CD1 4.47Å; F159-L229 HydrophobicContact CB-CD1 3.91Å; F159-L229 HydrophobicContact CB-CD2 3.86Å; Q161-L229 HydrophobicContact CG-CB 3.99Å; Q161-L229 PolarHBondContact NE2-O 3.11Å; Q161-L229 VanDerWaalsContact NE2-O 3.13Å; W176-L229 HydrophobicContact CH2-CD1 3.42Å; W176-L229 VanDerWaalsContact CH2-CD1 3.42Å; W176-L229 HydrophobicContact CZ2-CD1 3.69Å; W176-L229 HydrophobicContact CZ3-CD1 4.41Å; K226-L229 HydrophobicContact CD-CD1 4.44Å; P227-L229 HydrophobicContact CG-CD2 4.2Å; P227-L229 PolarHBondContact O-N 2.8Å |
| 230 | P | 89.2 | Confident | 72.5 | Confident | 74 Ų | 74 | 79 Ų | 79 | 48% | 0.481 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -70 | 158.5 | 175.5 | 30.5 | -35.4 | 0 | 0 | 0 | 111.7 | N160 Q161 | N160-P230 WeakPolarHBondContact CA-O 3.49Å; N160-P230 HydrophobicContact CB-CG 4.23Å; N160-P230 WeakPolarHBondContact CB-O 3.2Å; Q161-P230 PolarHBondContact N-O 3.43Å |
| 231 | P | 83.4 | Confident | 70.2 | Confident | 89 Ų | 89 | 78 Ų | 78 | 58% | 0.578 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 153.9 | 167.8 | 28.5 | -34.2 | 0 | 0 | 0 | 110.8 | ||
| 232 | G | 71.1 | Confident | 68 | Low | 27 Ų | 27 | 75.5 Ų | 75.5 | 28% | 0.278 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 146.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | N160 S234 | N160-G232 WeakPolarHBondContact OD1-CA 3.48Å; G232-S234 PolarHBondContact O-N 2.84Å |
| 233 | A | 62.3 | Low | 65.9 | Low | 63 Ų | 63 | 77.2 Ų | 77.2 | 52% | 0.521 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 125 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | K142 D235 | K142-A233 PolarHBondContact NZ-O 3.12Å; A233-D235 PolarHBondContact O-N 3.01Å |
| 234 | S | 52.8 | Low | 64 | Low | 92 Ų | 92 | 78.4 Ų | 78.4 | 64% | 0.643 | 47% | 0.469 | S | S | * | . | trans | -72.3 | 98.9 | 167.5 | 81.6 | 0 | 0 | 0 | 0 | 108.2 | G232 D236 | G232-S234 PolarHBondContact O-N 2.84Å; S234-D236 WeakPolarHBondContact CB-OD2 3.3Å; S234-D236 PolarHBondContact O-N 3.31Å; S234-D236 PolarHBondContact OG-OD2 3.32Å | ||
| 235 | D | 45.7 | Very low | 62.3 | Low | 112 Ų | 112 | 81.9 Ų | 81.9 | 60% | 0.599 | 48% | 0.477 | S | S | * | . | trans | -78.9 | 70.9 | 171.3 | -76.9 | 5.6 | 0 | 0 | 0 | 108.1 | K142 A233 V237 | K142-D235 WeakPolarHBondContact CE-OD2 3.34Å; K142-D235 IonicContact NZ-OD1 3.91Å; K142-D235 PolarHBondContact NZ-OD1 3.12Å; K142-D235 IonicContact NZ-OD2 2.75Å; K142-D235 PolarHBondContact NZ-OD2 2.74Å; A233-D235 PolarHBondContact O-N 3.01Å; D235-V237 PolarHBondContact O-N 3.33Å; D235-V237 VanDerWaalsContact O-N 3.11Å | ||
| 236 | D | 40.2 | Very low | 61.2 | Low | 80 Ų | 80 | 83.7 Ų | 83.7 | 43% | 0.428 | 47% | 0.469 | S | S | . | . | trans | -80.7 | 94.4 | 175.4 | -64.7 | -39.1 | 0 | 0 | 0 | 108.4 | S234 K238 T634 | S234-D236 WeakPolarHBondContact CB-OD2 3.3Å; S234-D236 PolarHBondContact O-N 3.31Å; S234-D236 PolarHBondContact OG-OD2 3.32Å; D236-K238 VanDerWaalsContact C-N 3.35Å; D236-K238 PolarHBondContact O-N 3.46Å; D236-T634 HydrophobicContact CB-CG2 4.09Å; D236-T634 WeakPolarHBondContact OD1-CG2 3.46Å; D236-T634 WeakPolarHBondContact OD2-CG2 3.44Å | ||
| 237 | V | 43.9 | Very low | 60.7 | Low | 117 Ų | 117 | 80.6 Ų | 80.6 | 71% | 0.709 | 46% | 0.456 | S | S | * | . | trans | -62.6 | 102.2 | 163 | -180 | 0 | 0 | 0 | 0 | 106.8 | D235 A239 | D235-V237 PolarHBondContact O-N 3.33Å; D235-V237 VanDerWaalsContact O-N 3.11Å; V237-A239 PolarHBondContact O-N 2.88Å | ||
| 238 | K | 38.7 | Very low | 60.6 | Low | 188 Ų | 188 | 81.6 Ų | 81.6 | 82% | 0.817 | 45% | 0.454 | S | S | * | . | trans | -65.5 | 82.9 | 170.2 | -71.6 | -178 | 178.7 | 178.9 | 0 | 109.4 | D236 D240 | D236-K238 VanDerWaalsContact C-N 3.35Å; D236-K238 PolarHBondContact O-N 3.46Å; K238-D240 PolarHBondContact O-N 3.12Å | ||
| 239 | A | 39.8 | Very low | 60.6 | Low | 32 Ų | 32 | 74 Ų | 74 | 26% | 0.264 | 41% | 0.413 | S | S | . | . | trans | -84.3 | 96.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | V237 A241 | V237-A239 PolarHBondContact O-N 2.88Å; A239-A241 PolarHBondContact O-N 3.41Å; A239-A241 VanDerWaalsContact O-N 3.11Å | ||
| 240 | D | 40 | Very low | 60.6 | Low | 106 Ų | 106 | 74.7 Ų | 74.7 | 57% | 0.567 | 42% | 0.415 | S | S | * | . | trans | -65.5 | 108.9 | 174.3 | -136.6 | -30.5 | 0 | 0 | 0 | 108.8 | K238 S242 N243 | K238-D240 PolarHBondContact O-N 3.12Å; D240-S242 PolarHBondContact O-N 2.75Å; D240-N243 PolarHBondContact O-N 2.85Å | ||
| 241 | A | 43.2 | Very low | 60.7 | Low | 29 Ų | 29 | 73.3 Ų | 73.3 | 24% | 0.24 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -59.3 | -19.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A239 N243 | A239-A241 PolarHBondContact O-N 3.41Å; A239-A241 VanDerWaalsContact O-N 3.11Å; A241-N243 VanDerWaalsContact C-N 3.28Å; A241-N243 PolarHBondContact O-N 3.36Å |
| 242 | S | 44.6 | Very low | 60.7 | Low | 80 Ų | 80 | 69.1 Ų | 69.1 | 56% | 0.559 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -70 | -21.8 | 176.2 | 63.6 | 0 | 0 | 0 | 0 | 113.6 | D240 | D240-S242 PolarHBondContact O-N 2.75Š|
| 243 | N | 46.1 | Very low | 60.9 | Low | 74 Ų | 74 | 69 Ų | 69 | 40% | 0.396 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -90.6 | -9.5 | -175.1 | -77.7 | -26.7 | 0 | 0 | 0 | 114.5 | D240 A241 S287 | D240-N243 PolarHBondContact O-N 2.85Å; A241-N243 VanDerWaalsContact C-N 3.28Å; A241-N243 PolarHBondContact O-N 3.36Å; N243-S287 PolarHBondContact O-OG 3.39Å |
| 244 | R | 52.7 | Low | 61.1 | Low | 47 Ų | 47 | 68.4 Ų | 68.4 | 18% | 0.177 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -28.1 | -178.6 | -68.8 | -168 | 176.9 | 173.7 | 6 | 114.3 | R246 H285 D288 I639 | R244-R246 PolarHBondContact O-N 3.43Å; R244-H285 PolarHBondContact O-NE2 2.95Å; R244-D288 WeakPolarHBondContact CG-OD1 3.42Å; R244-D288 IonicContact NE-OD1 3.02Å; R244-D288 PolarHBondContact NE-OD1 3.38Å; R244-I639 PolarHBondContact NH1-O 2.88Å; R244-I639 PolarHBondContact NH2-O 3.44Å |
| 245 | K | 55.7 | Low | 61.6 | Low | 95 Ų | 95 | 68.4 Ų | 68.4 | 41% | 0.413 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -23.3 | -172.5 | -72.1 | -167.8 | -170.7 | -155.2 | 0 | 115 | N268 E690 | K245-N268 PolarHBondContact O-ND2 3.26Å; K245-N268 PolarHBondContact O-OD1 2.95Å; K245-E690 WeakPolarHBondContact CE-O 3.17Å; K245-E690 PolarHBondContact NZ-O 3.46Å |
| 246 | R | 67.8 | Low | 62.1 | Low | 157 Ų | 157 | 67.1 Ų | 67.1 | 59% | 0.592 | 36% | 0.363 | S | S | * | . | trans | -110.4 | 108 | -164.7 | -62 | -177.2 | 72.1 | -163.9 | 3.5 | 110.9 | R244 | R244-R246 PolarHBondContact O-N 3.43Š| ||
| 247 | A | 82.8 | Confident | 62.7 | Low | 1 Ų | 1 | 67.3 Ų | 67.3 | 1% | 0.008 | 38% | 0.384 | C | S | . | . | trans | -111.3 | 156.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | N268 F270 L283 D284 F341 | A247-N268 PolarHBondContact N-OD1 3.46Å; A247-F270 HydrophobicContact CB-CE2 4.19Å; A247-F270 HydrophobicContact CB-CZ 3.96Å; A247-F270 WeakPolarHBondContact O-CZ 3Å; A247-L283 HydrophobicContact CB-CD2 3.82Å; A247-D284 CarbonylContact C-O 3.59Å; A247-D284 VanDerWaalsContact CA-O 3.24Å; A247-D284 WeakPolarHBondContact CA-O 3.46Å; A247-F341 HydrophobicContact CB-CD1 3.65Å; A247-F341 HydrophobicContact CB-CE1 3.64Å | ||
| 248 | K | 90.1 | Very high | 63.5 | Low | 78 Ų | 78 | 63.5 Ų | 63.5 | 34% | 0.339 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 151 | 172.4 | -66.2 | 176.2 | -175.7 | 172.7 | 0 | 110.3 | Y250 L263 A266 D284 | K248-Y250 HydrophobicContact CB-CD2 4.31Å; K248-Y250 HydrophobicContact CB-CE2 3.58Å; K248-Y250 HydrophobicContact CD-CE2 4.35Å; K248-Y250 WeakPolarHBondContact CD-OH 3.44Å; K248-L263 HydrophobicContact CB-CD1 4.05Å; K248-L263 HydrophobicContact CD-CD1 4.27Å; K248-L263 HydrophobicContact CG-CD1 4.43Å; K248-A266 WeakPolarHBondContact CG-O 3.27Å; K248-D284 HydrophobicContact CB-CB 4.26Å; K248-D284 PolarHBondContact N-O 2.79Å; K248-D284 PolarHBondContact O-N 3.34Å |
| 249 | L | 91.7 | Very high | 64.9 | Low | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 128.6 | 175.1 | -171.8 | 66.1 | 0 | 0 | 0 | 109.7 | V264 A265 F270 A274 L275 F281 L283 F342 | L249-V264 PolarHBondContact O-N 2.85Å; L249-A265 HydrophobicContact CB-CB 4.08Å; L249-A265 PolarHBondContact N-O 3.06Å; L249-A265 PolarHBondContact O-N 3.08Å; L249-A265 VanDerWaalsContact O-N 3.08Å; L249-F270 HydrophobicContact CB-CD1 4.13Å; L249-F270 HydrophobicContact CB-CD2 4.34Å; L249-F270 HydrophobicContact CB-CE1 3.97Å; L249-F270 HydrophobicContact CB-CE2 4.21Å; L249-F270 HydrophobicContact CB-CG 4.3Å; L249-F270 HydrophobicContact CB-CZ 4.01Å; L249-F270 HydrophobicContact CD2-CB 4.49Å; L249-F270 HydrophobicContact CD2-CG 4.4Å; L249-A274 HydrophobicContact CD2-CB 3.91Å; L249-L275 HydrophobicContact CD1-CD2 4.38Å; L249-L275 HydrophobicContact CD2-CD2 4.41Å; L249-F281 HydrophobicContact CD1-CB 4.15Å; L249-F281 HydrophobicContact CG-CD1 4.43Å; L249-L283 HydrophobicContact CD1-CB 4.26Å; L249-F342 HydrophobicContact CD2-CE1 4.39Å |
| 250 | Y | 92 | Very high | 66.6 | Low | 26 Ų | 26 | 58.5 Ų | 58.5 | 10% | 0.102 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 146.8 | 178 | -60.4 | -96.9 | 0 | 0 | 0 | 111.2 | K248 V261 T262 L263 F281 I282 D284 F314 | K248-Y250 HydrophobicContact CB-CD2 4.31Å; K248-Y250 HydrophobicContact CB-CE2 3.58Å; K248-Y250 HydrophobicContact CD-CE2 4.35Å; K248-Y250 WeakPolarHBondContact CD-OH 3.44Å; Y250-V261 VanDerWaalsContact CB-CG1 3.48Å; Y250-V261 HydrophobicContact CD1-CG1 3.83Å; Y250-V261 HydrophobicContact CG-CG1 3.85Å; Y250-T262 CarbonylContact C-O 3.52Å; Y250-T262 WeakPolarHBondContact CA-O 3.41Å; Y250-T262 WeakPolarHBondContact CB-O 3.42Å; Y250-L263 HydrophobicContact CD1-CB 4.04Å; Y250-L263 HydrophobicContact CD1-CD1 3.9Å; Y250-L263 HydrophobicContact CE1-CB 3.97Å; Y250-L263 HydrophobicContact CE1-CD1 3.52Å; Y250-L263 HydrophobicContact CE1-CG 4.34Å; Y250-L263 HydrophobicContact CE2-CD1 4.19Å; Y250-L263 HydrophobicContact CG-CD1 4.38Å; Y250-F281 CarbonylContact O-C 3.51Å; Y250-F281 WeakPolarHBondContact O-CA 3.17Å; Y250-F281 WeakPolarHBondContact O-CB 3.21Å; Y250-F281 WeakPolarHBondContact O-CD1 3.28Å; Y250-I282 PolarHBondContact N-O 3.25Å; Y250-I282 PolarHBondContact O-N 3.11Å; Y250-D284 HydrophobicContact CD2-CB 3.95Å; Y250-D284 HydrophobicContact CE2-CB 3.54Å; Y250-F314 HydrophobicContact CD2-CE2 4.04Å; Y250-F314 AromaticContact CD2-CZ 3.88Å; Y250-F314 HydrophobicContact CD2-CZ 3.88Å; Y250-F314 HydrophobicContact CE2-CE2 4.15Å; Y250-F314 AromaticContact CE2-CZ 3.74Å; Y250-F314 HydrophobicContact CE2-CZ 3.74Å; Y250-F314 HydrophobicContact CG-CE2 4.25Å |
| 251 | K | 89.4 | Confident | 68.7 | Low | 45 Ų | 45 | 55 Ų | 55 | 20% | 0.196 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 132.1 | 170 | 177.1 | 169.9 | -179.3 | 155.6 | 0 | 109.5 | V261 T262 V264 E276 D279 F281 | K251-V261 WeakPolarHBondContact O-CA 3.38Å; K251-T262 PolarHBondContact N-O 3.29Å; K251-T262 PolarHBondContact O-N 3.27Å; K251-T262 PolarHBondContact O-OG1 3.38Å; K251-V264 HydrophobicContact CB-CG2 3.48Å; K251-V264 VanDerWaalsContact CB-CG2 3.48Å; K251-E276 IonicContact NZ-OE2 3.47Å; K251-E276 PolarHBondContact NZ-OE2 2.86Å; K251-D279 WeakPolarHBondContact CE-OD1 3.43Å; K251-D279 VanDerWaalsContact CE-OD2 3.28Å; K251-D279 WeakPolarHBondContact CE-OD2 3.39Å; K251-D279 HydrophobicContact CG-CB 4.49Å; K251-D279 IonicContact NZ-OD1 3.84Å; K251-D279 PolarHBondContact NZ-OD1 2.96Å; K251-D279 IonicContact NZ-OD2 3.26Å; K251-D279 PolarHBondContact NZ-OD2 2.85Å; K251-F281 HydrophobicContact CB-CD1 4Å; K251-F281 HydrophobicContact CB-CE1 3.78Å; K251-F281 HydrophobicContact CD-CE1 4.29Å; K251-F281 HydrophobicContact CD-CZ 4.36Å; K251-F281 HydrophobicContact CG-CE1 4.07Å; K251-F281 HydrophobicContact CG-CZ 4.34Å |
| 252 | V | 84.3 | Confident | 70.8 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.006 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 125.1 | 174.1 | -177.7 | 0 | 0 | 0 | 0 | 107.6 | M259 T260 C280 I282 | V252-M259 HydrophobicContact CG1-CE 3.5Å; V252-M259 HydrophobicContact CG1-CG 4.05Å; V252-M259 HydrophobicContact CG1-SD 3.71Å; V252-T260 WeakPolarHBondContact CA-O 3.2Å; V252-C280 HydrophobicContact CB-CB 4.01Å; V252-C280 WeakPolarHBondContact CB-O 3.48Å; V252-C280 PolarHBondContact N-O 3.11Å; V252-I282 HydrophobicContact CG2-CD1 3.71Å; V252-I282 HydrophobicContact CG2-CG1 3.63Å |
| 253 | S | 74.5 | Confident | 72.9 | Confident | 24 Ų | 24 | 57.8 Ų | 57.8 | 17% | 0.168 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 133.2 | 177.9 | -176.2 | 0 | 0 | 0 | 0 | 111.6 | A255 T260 | S253-A255 WeakPolarHBondContact OG-CB 3.37Å; S253-A255 PolarHBondContact OG-N 2.97Å; S253-T260 PolarHBondContact N-O 3.46Å; S253-T260 PolarHBondContact O-N 3.01Å; S253-T260 PolarHBondContact O-OG1 2.95Å |
| 254 | N | 67.7 | Low | 75.1 | Confident | 52 Ų | 52 | 57.3 Ų | 57.3 | 28% | 0.278 | 34% | 0.335 | S | S | . | . | trans | -96.4 | 5.4 | 173.8 | 77.5 | 1.2 | 0 | 0 | 0 | 114.2 | S256 G257 E303 | N254-S256 PolarHBondContact O-N 2.96Å; N254-G257 PolarHBondContact O-N 3.26Å; N254-E303 HydrophobicContact CB-CG 3.97Å; N254-E303 WeakPolarHBondContact CB-OE1 3.43Å; N254-E303 VanDerWaalsContact CG-CG 3.49Å; N254-E303 PolarHBondContact N-OE1 2.8Å; N254-E303 WeakPolarHBondContact ND2-CG 3.28Å; N254-E303 PolarHBondContact OD1-OE1 2.81Å | ||
| 255 | A | 62.4 | Low | 76.8 | Confident | 91 Ų | 91 | 56.2 Ų | 56.2 | 75% | 0.752 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -16.5 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | S253 | S253-A255 WeakPolarHBondContact OG-CB 3.37Å; S253-A255 PolarHBondContact OG-N 2.97Å |
| 256 | S | 55.8 | Low | 78.1 | Confident | 86 Ų | 86 | 54.5 Ų | 54.5 | 60% | 0.601 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | 5 | 178.8 | 64.3 | 0 | 0 | 0 | 0 | 114.6 | N254 G258 T260 | N254-S256 PolarHBondContact O-N 2.96Å; S256-G258 PolarHBondContact O-N 3.2Å; S256-G258 PolarHBondContact OG-O 3.36Å; S256-T260 WeakPolarHBondContact OG-CG2 3.39Å |
| 257 | G | 54.4 | Low | 78.7 | Confident | 84 Ų | 84 | 53 Ų | 53 | 87% | 0.866 | 34% | 0.34 | S | S | * | . | S | Bend | trans | 82.2 | -6.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | N254 | N254-G257 PolarHBondContact O-N 3.26Š|
| 258 | G | 60.6 | Low | 78.4 | Confident | 37 Ų | 37 | 53.9 Ų | 53.9 | 38% | 0.381 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -130.7 | 154.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111 | S256 T260 | S256-G258 PolarHBondContact O-N 3.2Å; S256-G258 PolarHBondContact OG-O 3.36Å; G258-T260 PolarHBondContact O-N 3.14Å |
| 259 | M | 67.8 | Low | 77.8 | Confident | 60 Ų | 60 | 52.5 Ų | 52.5 | 30% | 0.296 | 34% | 0.343 | S | S | . | . | trans | -68.2 | 113.5 | 179.3 | -160.5 | 86.5 | 143.3 | 0 | 0 | 109.9 | V252 A306 A310 | V252-M259 HydrophobicContact CG1-CE 3.5Å; V252-M259 HydrophobicContact CG1-CG 4.05Å; V252-M259 HydrophobicContact CG1-SD 3.71Å; M259-A306 HydrophobicContact CE-CB 4.24Å; M259-A310 HydrophobicContact CE-CB 3.04Å | ||
| 260 | T | 75.4 | Confident | 77.5 | Confident | 55 Ų | 55 | 52.6 Ų | 52.6 | 34% | 0.337 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 141.1 | 177.3 | 59.4 | 0 | 0 | 0 | 0 | 110.7 | V252 S253 S256 G258 | V252-T260 WeakPolarHBondContact CA-O 3.2Å; S253-T260 PolarHBondContact N-O 3.46Å; S253-T260 PolarHBondContact O-N 3.01Å; S253-T260 PolarHBondContact O-OG1 2.95Å; S256-T260 WeakPolarHBondContact OG-CG2 3.39Å; G258-T260 PolarHBondContact O-N 3.14Å |
| 261 | V | 82.9 | Confident | 77.1 | Confident | 31 Ų | 31 | 53.9 Ų | 53.9 | 19% | 0.188 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 118.7 | 179.7 | -175 | 0 | 0 | 0 | 0 | 108.2 | Y250 K251 F314 | Y250-V261 VanDerWaalsContact CB-CG1 3.48Å; Y250-V261 HydrophobicContact CD1-CG1 3.83Å; Y250-V261 HydrophobicContact CG-CG1 3.85Å; K251-V261 WeakPolarHBondContact O-CA 3.38Å; V261-F314 HydrophobicContact CG1-CD2 3.97Å; V261-F314 HydrophobicContact CG1-CE2 3.87Å; V261-F314 HydrophobicContact CG2-CD2 4.38Å |
| 262 | T | 87.6 | Confident | 76.7 | Confident | 74 Ų | 74 | 54.7 Ų | 54.7 | 45% | 0.454 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 139.9 | -176.2 | 54.5 | 0 | 0 | 0 | 0 | 110.5 | Y250 K251 | Y250-T262 CarbonylContact C-O 3.52Å; Y250-T262 WeakPolarHBondContact CA-O 3.41Å; Y250-T262 WeakPolarHBondContact CB-O 3.42Å; K251-T262 PolarHBondContact N-O 3.29Å; K251-T262 PolarHBondContact O-N 3.27Å; K251-T262 PolarHBondContact O-OG1 3.38Å |
| 263 | L | 89.8 | Confident | 76.8 | Confident | 94 Ų | 94 | 59.7 Ų | 59.7 | 49% | 0.492 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 127.2 | -179.3 | -175.8 | 70.3 | 0 | 0 | 0 | 110 | K248 Y250 A265 A266 | K248-L263 HydrophobicContact CB-CD1 4.05Å; K248-L263 HydrophobicContact CD-CD1 4.27Å; K248-L263 HydrophobicContact CG-CD1 4.43Å; Y250-L263 HydrophobicContact CD1-CB 4.04Å; Y250-L263 HydrophobicContact CD1-CD1 3.9Å; Y250-L263 HydrophobicContact CE1-CB 3.97Å; Y250-L263 HydrophobicContact CE1-CD1 3.52Å; Y250-L263 HydrophobicContact CE1-CG 4.34Å; Y250-L263 HydrophobicContact CE2-CD1 4.19Å; Y250-L263 HydrophobicContact CG-CD1 4.38Å; L263-A265 WeakPolarHBondContact CD1-O 3.38Å; L263-A266 HydrophobicContact CD2-CB 4.18Å |
| 264 | V | 91.1 | Very high | 77.5 | Confident | 64 Ų | 64 | 59.6 Ų | 59.6 | 39% | 0.388 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | -43.5 | 178.5 | 178.3 | 0 | 0 | 0 | 0 | 110.6 | L249 K251 A274 F281 | L249-V264 PolarHBondContact O-N 2.85Å; K251-V264 HydrophobicContact CB-CG2 3.48Å; K251-V264 VanDerWaalsContact CB-CG2 3.48Å; V264-A274 HydrophobicContact CG1-CB 4.19Å; V264-F281 HydrophobicContact CG2-CD1 4.4Å; V264-F281 HydrophobicContact CG2-CE1 4.14Å |
| 265 | A | 88.2 | Confident | 78.6 | Confident | 24 Ų | 24 | 58 Ų | 58 | 20% | 0.198 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 130 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | L249 L263 F270 | L249-A265 HydrophobicContact CB-CB 4.08Å; L249-A265 PolarHBondContact N-O 3.06Å; L249-A265 PolarHBondContact O-N 3.08Å; L249-A265 VanDerWaalsContact O-N 3.08Å; L263-A265 WeakPolarHBondContact CD1-O 3.38Å; A265-F270 HydrophobicContact CB-CD1 3.51Å; A265-F270 HydrophobicContact CB-CE1 3.77Å |
| 266 | A | 84.4 | Confident | 79.9 | Confident | 60 Ų | 60 | 58.5 Ų | 58.5 | 50% | 0.496 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -83 | -14.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | K248 L263 | K248-A266 WeakPolarHBondContact CG-O 3.27Å; L263-A266 HydrophobicContact CD2-CB 4.18Å |
| 267 | E | 80.3 | Confident | 81.5 | Confident | 125 Ų | 125 | 56 Ų | 56 | 58% | 0.584 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -157.3 | 144.6 | -174.4 | -167.1 | 167.7 | -164.6 | 0 | 0 | 111.7 | F270 | E267-F270 WeakPolarHBondContact O-CD1 3.4Å; E267-F270 VanDerWaalsContact O-CE1 3.27Å; E267-F270 WeakPolarHBondContact O-CE1 3.37Å |
| 268 | N | 76.6 | Confident | 83 | Confident | 19 Ų | 19 | 53.7 Ų | 53.7 | 10% | 0.102 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -85.4 | 157.1 | 173 | 57.1 | -66.2 | 0 | 0 | 0 | 111.5 | K245 A247 F270 F341 P693 | K245-N268 PolarHBondContact O-ND2 3.26Å; K245-N268 PolarHBondContact O-OD1 2.95Å; A247-N268 PolarHBondContact N-OD1 3.46Å; N268-F270 HydrophobicContact CB-CD1 4.36Å; N268-F270 HydrophobicContact CB-CD2 4.39Å; N268-F270 HydrophobicContact CB-CE1 4.04Å; N268-F270 HydrophobicContact CB-CE2 4.04Å; N268-F270 HydrophobicContact CB-CZ 3.86Å; N268-F341 HydrophobicContact CB-CD1 4.41Å; N268-P693 PolarHBondContact ND2-O 3.3Å |
| 269 | P | 76.2 | Confident | 84.3 | Confident | 49 Ų | 49 | 53.4 Ų | 53.4 | 32% | 0.318 | 33% | 0.326 | S | S | . | . | S | Bend | cis | -77.2 | 134.9 | 4.4 | 32 | -35.4 | 0 | 0 | 0 | 112.9 | F341 K343 | P269-F341 CarbonylContact C-O 3.57Å; P269-F341 VanDerWaalsContact CA-O 3.25Å; P269-F341 WeakPolarHBondContact CA-O 3.47Å; P269-K343 HydrophobicContact CB-CB 4.06Å; P269-K343 HydrophobicContact CG-CB 4.3Å |
| 270 | F | 85.9 | Confident | 85.4 | Confident | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.018 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 156.4 | -179.1 | -50.9 | -53.6 | 0 | 0 | 0 | 112.1 | A247 L249 A265 E267 N268 L283 F341 F342 K343 | A247-F270 HydrophobicContact CB-CE2 4.19Å; A247-F270 HydrophobicContact CB-CZ 3.96Å; A247-F270 WeakPolarHBondContact O-CZ 3Å; L249-F270 HydrophobicContact CB-CD1 4.13Å; L249-F270 HydrophobicContact CB-CD2 4.34Å; L249-F270 HydrophobicContact CB-CE1 3.97Å; L249-F270 HydrophobicContact CB-CE2 4.21Å; L249-F270 HydrophobicContact CB-CG 4.3Å; L249-F270 HydrophobicContact CB-CZ 4.01Å; L249-F270 HydrophobicContact CD2-CB 4.49Å; L249-F270 HydrophobicContact CD2-CG 4.4Å; A265-F270 HydrophobicContact CB-CD1 3.51Å; A265-F270 HydrophobicContact CB-CE1 3.77Å; E267-F270 WeakPolarHBondContact O-CD1 3.4Å; E267-F270 VanDerWaalsContact O-CE1 3.27Å; E267-F270 WeakPolarHBondContact O-CE1 3.37Å; N268-F270 HydrophobicContact CB-CD1 4.36Å; N268-F270 HydrophobicContact CB-CD2 4.39Å; N268-F270 HydrophobicContact CB-CE1 4.04Å; N268-F270 HydrophobicContact CB-CE2 4.04Å; N268-F270 HydrophobicContact CB-CZ 3.86Å; F270-L283 HydrophobicContact CD2-CD1 4.34Å; F270-L283 HydrophobicContact CE2-CD1 3.97Å; F270-L283 HydrophobicContact CE2-CD2 4.48Å; F270-L283 HydrophobicContact CE2-CG 3.9Å; F270-F341 HydrophobicContact CD2-CB 3.97Å; F270-F341 WeakPolarHBondContact CD2-O 3.37Å; F270-F341 HydrophobicContact CE2-CB 3.98Å; F270-F341 PolarHBondContact N-O 2.62Å; F270-F342 HydrophobicContact CB-CD1 3.63Å; F270-F342 HydrophobicContact CB-CE1 3.72Å; F270-F342 HydrophobicContact CB-CG 4.3Å; F270-F342 HydrophobicContact CB-CZ 4.45Å; F270-F342 HydrophobicContact CD2-CE1 4.27Å; F270-F342 HydrophobicContact CD2-CE2 4.4Å; F270-F342 HydrophobicContact CD2-CZ 4.17Å; F270-F342 HydrophobicContact CG-CE1 4.46Å; F270-F342 CarbonylContact O-C 3.51Å; F270-F342 VanDerWaalsContact O-CA 3.28Å; F270-F342 WeakPolarHBondContact O-CA 3.45Å; F270-K343 PolarHBondContact O-N 2.66Å |
| 271 | A | 83.8 | Confident | 86.2 | Confident | 52 Ų | 52 | 48.1 Ų | 48.1 | 43% | 0.43 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 131.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110 | S273 A274 | A271-S273 PolarHBondContact O-N 2.91Å; A271-A274 WeakPolarHBondContact O-CB 3.44Å; A271-A274 PolarHBondContact O-N 3.03Å |
| 272 | Q | 81.5 | Confident | 86.7 | Confident | 63 Ų | 63 | 46.7 Ų | 46.7 | 29% | 0.294 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -57.6 | -33.2 | 176 | -174.3 | -179.8 | 7.4 | 0 | 0 | 112 | A274 L275 W345 R346 | Q272-A274 PolarHBondContact O-N 3.47Å; Q272-A274 VanDerWaalsContact O-N 3.1Å; Q272-L275 PolarHBondContact O-N 3.01Å; Q272-L275 VanDerWaalsContact O-N 3.11Å; Q272-W345 HydrophobicContact CB-CE3 4.36Å; Q272-W345 HydrophobicContact CG-CD2 4.26Å; Q272-W345 HydrophobicContact CG-CE3 3.88Å; Q272-W345 HydrophobicContact CG-CH2 4.35Å; Q272-W345 HydrophobicContact CG-CZ3 3.95Å; Q272-R346 PolarHBondContact NE2-O 2.94Å; Q272-R346 PolarHBondContact OE1-O 3.38Å |
| 273 | S | 85.5 | Confident | 87 | Confident | 105 Ų | 105 | 43.1 Ų | 43.1 | 73% | 0.734 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -65.2 | -8.8 | 176.1 | 60.1 | 0 | 0 | 0 | 0 | 114.5 | A271 | A271-S273 PolarHBondContact O-N 2.91Š|
| 274 | A | 89.7 | Confident | 87 | Confident | 23 Ų | 23 | 39 Ų | 39 | 19% | 0.19 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -73.4 | -18 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L249 V264 A271 Q272 E276 F281 | L249-A274 HydrophobicContact CD2-CB 3.91Å; V264-A274 HydrophobicContact CG1-CB 4.19Å; A271-A274 WeakPolarHBondContact O-CB 3.44Å; A271-A274 PolarHBondContact O-N 3.03Å; Q272-A274 PolarHBondContact O-N 3.47Å; Q272-A274 VanDerWaalsContact O-N 3.1Å; A274-E276 PolarHBondContact O-N 3.17Å; A274-F281 WeakPolarHBondContact O-CE1 3.46Å; A274-F281 WeakPolarHBondContact O-CZ 3.32Å |
| 275 | L | 90.5 | Very high | 86.6 | Confident | 19 Ų | 19 | 36.4 Ų | 36.4 | 10% | 0.099 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -88 | 100.3 | 175.6 | -62.7 | 175.1 | 0 | 0 | 0 | 109.7 | L249 Q272 F281 W294 F338 F342 W345 | L249-L275 HydrophobicContact CD1-CD2 4.38Å; L249-L275 HydrophobicContact CD2-CD2 4.41Å; Q272-L275 PolarHBondContact O-N 3.01Å; Q272-L275 VanDerWaalsContact O-N 3.11Å; L275-F281 HydrophobicContact CD2-CB 3.89Å; L275-F281 HydrophobicContact CD2-CD1 4.3Å; L275-F281 HydrophobicContact CD2-CD2 3.86Å; L275-F281 HydrophobicContact CD2-CG 3.75Å; L275-W294 HydrophobicContact CB-CD2 4.48Å; L275-W294 HydrophobicContact CB-CE3 4.39Å; L275-W294 HydrophobicContact CB-CH2 3.91Å; L275-W294 HydrophobicContact CB-CZ2 4.03Å; L275-W294 HydrophobicContact CB-CZ3 4.11Å; L275-W294 HydrophobicContact CD1-CD2 4.25Å; L275-W294 HydrophobicContact CD1-CG 4.4Å; L275-W294 HydrophobicContact CD1-CZ2 4.35Å; L275-W294 HydrophobicContact CD2-CD2 4.08Å; L275-W294 HydrophobicContact CD2-CE3 4.14Å; L275-W294 HydrophobicContact CD2-CG 4.29Å; L275-F338 HydrophobicContact CD1-CE1 3.93Å; L275-F338 HydrophobicContact CD1-CZ 4.01Å; L275-F342 HydrophobicContact CD1-CE1 3.75Å; L275-F342 HydrophobicContact CD1-CE2 4.46Å; L275-F342 HydrophobicContact CD1-CZ 3.67Å; L275-F342 HydrophobicContact CD2-CE1 4.41Å; L275-F342 HydrophobicContact CD2-CZ 4.23Å; L275-F342 HydrophobicContact CG-CE1 3.89Å; L275-F342 HydrophobicContact CG-CZ 4.06Å; L275-W345 HydrophobicContact CD1-CH2 3.76Å; L275-W345 HydrophobicContact CD1-CZ3 3.74Å |
| 276 | E | 89.8 | Confident | 85.9 | Confident | 101 Ų | 101 | 35.6 Ų | 35.6 | 47% | 0.472 | 22% | 0.223 | S | C | . | . | trans | -86.4 | 124.4 | 177.9 | -64.1 | 173.1 | 162 | 0 | 0 | 110.1 | K251 A274 G278 D279 F281 W294 | K251-E276 IonicContact NZ-OE2 3.47Å; K251-E276 PolarHBondContact NZ-OE2 2.86Å; A274-E276 PolarHBondContact O-N 3.17Å; E276-G278 PolarHBondContact O-N 2.81Å; E276-D279 PolarHBondContact O-N 3.34Å; E276-F281 HydrophobicContact CB-CE2 4.27Å; E276-F281 HydrophobicContact CB-CZ 4.06Å; E276-F281 HydrophobicContact CG-CZ 4.39Å; E276-F281 VanDerWaalsContact N-CE2 3.31Å; E276-W294 WeakPolarHBondContact O-CZ3 3.43Å | ||
| 277 | S | 88.8 | Confident | 85.1 | Confident | 32 Ų | 32 | 35.4 Ų | 35.4 | 22% | 0.224 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -22.1 | -177.5 | -64.7 | 0 | 0 | 0 | 0 | 114.8 | D279 G296 K297 D298 A299 E331 | S277-D279 VanDerWaalsContact C-N 3.33Å; S277-G296 CarbonylContact O-C 3.57Å; S277-G296 WeakPolarHBondContact O-CA 3.49Å; S277-K297 PolarHBondContact O-N 3.16Å; S277-D298 VanDerWaalsContact CB-OD2 3.27Å; S277-D298 WeakPolarHBondContact CB-OD2 3.41Å; S277-D298 CarbonylContact O-C 3.56Å; S277-D298 WeakPolarHBondContact O-CA 3.47Å; S277-D298 WeakPolarHBondContact O-CB 2.87Å; S277-D298 PolarHBondContact O-N 3.49Å; S277-A299 PolarHBondContact O-N 2.87Å; S277-A299 VanDerWaalsContact O-N 3.11Å; S277-E331 WeakPolarHBondContact CA-OE2 3.49Å; S277-E331 WeakPolarHBondContact CB-OE2 3.31Å; S277-E331 VanDerWaalsContact OG-CD 3.24Å; S277-E331 PolarHBondContact OG-OE1 3.45Å; S277-E331 PolarHBondContact OG-OE2 2.88Å |
| 278 | G | 87.1 | Confident | 84.6 | Confident | 37 Ų | 37 | 32.6 Ų | 32.6 | 38% | 0.381 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -2.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | E276 A299 | E276-G278 PolarHBondContact O-N 2.81Å; G278-A299 WeakPolarHBondContact O-CA 3.4Å |
| 279 | D | 87.9 | Confident | 84.5 | Confident | 30 Ų | 30 | 33.1 Ų | 33.1 | 16% | 0.16 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -135 | 167.3 | -171.4 | -64.6 | -85.7 | 0 | 0 | 0 | 112.8 | K251 E276 S277 F281 G296 | K251-D279 WeakPolarHBondContact CE-OD1 3.43Å; K251-D279 VanDerWaalsContact CE-OD2 3.28Å; K251-D279 WeakPolarHBondContact CE-OD2 3.39Å; K251-D279 HydrophobicContact CG-CB 4.49Å; K251-D279 IonicContact NZ-OD1 3.84Å; K251-D279 PolarHBondContact NZ-OD1 2.96Å; K251-D279 IonicContact NZ-OD2 3.26Å; K251-D279 PolarHBondContact NZ-OD2 2.85Å; E276-D279 PolarHBondContact O-N 3.34Å; S277-D279 VanDerWaalsContact C-N 3.33Å; D279-F281 HydrophobicContact CB-CE2 3.77Å; D279-F281 HydrophobicContact CB-CZ 4.13Å; D279-G296 WeakPolarHBondContact O-CA 3.38Å; D279-G296 PolarHBondContact O-N 2.71Å; D279-G296 VanDerWaalsContact O-N 3.09Å |
| 280 | C | 89.9 | Confident | 84.9 | Confident | 4 Ų | 4 | 31.8 Ų | 31.8 | 3% | 0.027 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 148.1 | 170.4 | -75.6 | 0 | 0 | 0 | 0 | 110.8 | V252 W294 | V252-C280 HydrophobicContact CB-CB 4.01Å; V252-C280 WeakPolarHBondContact CB-O 3.48Å; V252-C280 PolarHBondContact N-O 3.11Å; C280-W294 CarbonylContact C-O 3.41Å; C280-W294 VanDerWaalsContact CA-O 3.28Å; C280-W294 WeakPolarHBondContact CA-O 3.49Å |
| 281 | F | 93 | Very high | 85.2 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 149.8 | -179.6 | -64.9 | -98.9 | 0 | 0 | 0 | 111.3 | L249 Y250 K251 V264 A274 L275 E276 D279 V293 W294 | L249-F281 HydrophobicContact CD1-CB 4.15Å; L249-F281 HydrophobicContact CG-CD1 4.43Å; Y250-F281 CarbonylContact O-C 3.51Å; Y250-F281 WeakPolarHBondContact O-CA 3.17Å; Y250-F281 WeakPolarHBondContact O-CB 3.21Å; Y250-F281 WeakPolarHBondContact O-CD1 3.28Å; K251-F281 HydrophobicContact CB-CD1 4Å; K251-F281 HydrophobicContact CB-CE1 3.78Å; K251-F281 HydrophobicContact CD-CE1 4.29Å; K251-F281 HydrophobicContact CD-CZ 4.36Å; K251-F281 HydrophobicContact CG-CE1 4.07Å; K251-F281 HydrophobicContact CG-CZ 4.34Å; V264-F281 HydrophobicContact CG2-CD1 4.4Å; V264-F281 HydrophobicContact CG2-CE1 4.14Å; A274-F281 WeakPolarHBondContact O-CE1 3.46Å; A274-F281 WeakPolarHBondContact O-CZ 3.32Å; L275-F281 HydrophobicContact CD2-CB 3.89Å; L275-F281 HydrophobicContact CD2-CD1 4.3Å; L275-F281 HydrophobicContact CD2-CD2 3.86Å; L275-F281 HydrophobicContact CD2-CG 3.75Å; E276-F281 HydrophobicContact CB-CE2 4.27Å; E276-F281 HydrophobicContact CB-CZ 4.06Å; E276-F281 HydrophobicContact CG-CZ 4.39Å; E276-F281 VanDerWaalsContact N-CE2 3.31Å; D279-F281 HydrophobicContact CB-CE2 3.77Å; D279-F281 HydrophobicContact CB-CZ 4.13Å; F281-V293 CarbonylContact O-C 3.15Å; F281-V293 WeakPolarHBondContact O-CA 3.26Å; F281-W294 HydrophobicContact CB-CB 4.44Å; F281-W294 AromaticContact CD2-CE3 3.69Å; F281-W294 HydrophobicContact CD2-CE3 3.69Å; F281-W294 AromaticContact CD2-CZ3 3.93Å; F281-W294 HydrophobicContact CD2-CZ3 3.93Å; F281-W294 HydrophobicContact CE2-CE3 4.34Å; F281-W294 HydrophobicContact CE2-CZ3 4.11Å; F281-W294 PolarHBondContact N-O 3.18Å; F281-W294 PolarHBondContact O-N 3.41Å |
| 282 | I | 93.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 119.1 | 170.5 | -64.6 | 173.3 | 0 | 0 | 0 | 108.2 | Y250 V252 F292 V293 F314 | Y250-I282 PolarHBondContact N-O 3.25Å; Y250-I282 PolarHBondContact O-N 3.11Å; V252-I282 HydrophobicContact CG2-CD1 3.71Å; V252-I282 HydrophobicContact CG2-CG1 3.63Å; I282-F292 CarbonylContact C-O 3.49Å; I282-F292 VanDerWaalsContact CA-O 3.3Å; I282-F292 WeakPolarHBondContact CA-O 3.46Å; I282-V293 HydrophobicContact CG1-CG2 4.35Å; I282-F314 HydrophobicContact CD1-CB 3.82Å; I282-F314 HydrophobicContact CD1-CD1 4.45Å; I282-F314 HydrophobicContact CD1-CD2 3.8Å; I282-F314 HydrophobicContact CD1-CG 3.77Å; I282-F314 HydrophobicContact CG2-CD1 3.95Å; I282-F314 HydrophobicContact CG2-CD2 4.44Å; I282-F314 HydrophobicContact CG2-CE1 3.83Å; I282-F314 HydrophobicContact CG2-CE2 4.33Å; I282-F314 HydrophobicContact CG2-CG 4.26Å; I282-F314 HydrophobicContact CG2-CZ 4.03Å |
| 283 | L | 92.4 | Very high | 86 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 107.9 | 165.3 | -165.3 | 164.4 | 0 | 0 | 0 | 107.5 | A247 L249 F270 H285 I291 F292 F338 F341 F342 | A247-L283 HydrophobicContact CB-CD2 3.82Å; L249-L283 HydrophobicContact CD1-CB 4.26Å; F270-L283 HydrophobicContact CD2-CD1 4.34Å; F270-L283 HydrophobicContact CE2-CD1 3.97Å; F270-L283 HydrophobicContact CE2-CD2 4.48Å; F270-L283 HydrophobicContact CE2-CG 3.9Å; L283-H285 HydrophobicContact CD2-CB 4.16Å; L283-I291 WeakPolarHBondContact O-CA 3.39Å; L283-F292 HydrophobicContact CB-CB 4.09Å; L283-F292 HydrophobicContact CB-CD2 4.24Å; L283-F292 HydrophobicContact CD2-CD2 3.96Å; L283-F292 HydrophobicContact CD2-CE2 4.36Å; L283-F292 HydrophobicContact CG-CD2 4.49Å; L283-F292 PolarHBondContact N-O 3.38Å; L283-F292 PolarHBondContact O-N 3.07Å; L283-F338 HydrophobicContact CB-CE2 4.06Å; L283-F338 HydrophobicContact CD1-CD2 3.89Å; L283-F338 HydrophobicContact CD1-CE2 3.79Å; L283-F341 HydrophobicContact CD1-CB 3.75Å; L283-F341 HydrophobicContact CD1-CD2 3.67Å; L283-F341 HydrophobicContact CD1-CE2 4.46Å; L283-F341 HydrophobicContact CD1-CG 3.8Å; L283-F341 HydrophobicContact CD2-CD1 4.33Å; L283-F341 HydrophobicContact CD2-CD2 4.05Å; L283-F341 HydrophobicContact CD2-CE1 4.39Å; L283-F341 HydrophobicContact CD2-CE2 4.13Å; L283-F341 HydrophobicContact CD2-CG 4.16Å; L283-F341 HydrophobicContact CD2-CZ 4.3Å; L283-F342 HydrophobicContact CD1-CE2 3.96Å; L283-F342 HydrophobicContact CD1-CZ 4.43Å |
| 284 | D | 90.5 | Very high | 86.4 | Confident | 7 Ų | 7 | 21.7 Ų | 21.7 | 4% | 0.037 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 107.1 | -179.5 | 175.5 | 18 | 0 | 0 | 0 | 110 | A247 K248 Y250 G286 F314 Y320 | A247-D284 CarbonylContact C-O 3.59Å; A247-D284 VanDerWaalsContact CA-O 3.24Å; A247-D284 WeakPolarHBondContact CA-O 3.46Å; K248-D284 HydrophobicContact CB-CB 4.26Å; K248-D284 PolarHBondContact N-O 2.79Å; K248-D284 PolarHBondContact O-N 3.34Å; Y250-D284 HydrophobicContact CD2-CB 3.95Å; Y250-D284 HydrophobicContact CE2-CB 3.54Å; D284-G286 PolarHBondContact OD1-N 3.4Å; D284-F314 HydrophobicContact CB-CE1 3.98Å; D284-F314 HydrophobicContact CB-CZ 3.87Å; D284-Y320 WeakPolarHBondContact OD1-CE2 3.4Å; D284-Y320 PolarHBondContact OD1-OH 3.26Å; D284-Y320 VanDerWaalsContact OD1-OH 3.06Å; D284-Y320 PolarHBondContact OD2-OH 3.21Å |
| 285 | H | 82.6 | Confident | 86.4 | Confident | 9 Ų | 9 | 20.7 Ų | 20.7 | 4% | 0.042 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 30.2 | 169.4 | -165.6 | -147.5 | 0 | 0 | 0 | 109.7 | R244 L283 S287 D288 K290 F341 | R244-H285 PolarHBondContact O-NE2 2.95Å; L283-H285 HydrophobicContact CD2-CB 4.16Å; H285-S287 PolarHBondContact O-N 3.03Å; H285-D288 WeakPolarHBondContact CE1-CB 3.42Å; H285-D288 IonicContact CE1-OD2 3.78Å; H285-D288 PolarHBondContact CE1-OD2 2.9Å; H285-D288 IonicContact ND1-OD2 3.55Å; H285-D288 IonicContact NE2-OD2 3.25Å; H285-D288 PolarHBondContact O-N 2.87Å; H285-K290 CarbonylContact C-O 3.59Å; H285-K290 VanDerWaalsContact CA-O 3.25Å; H285-K290 WeakPolarHBondContact CA-O 3.24Å; H285-K290 WeakPolarHBondContact CB-O 3.43Å; H285-K290 PolarHBondContact N-O 3.41Å; H285-K290 PolarHBondContact O-N 3.07Å; H285-K290 VanDerWaalsContact O-O 3.05Å; H285-F341 HydrophobicContact CB-CZ 4.32Å; H285-F341 AromaticContact CE1-CZ 3.78Å; H285-F341 AromaticContact CG-CZ 3.82Å; H285-F341 AromaticContact ND1-CZ 3.5Å |
| 286 | G | 73.6 | Confident | 86.3 | Confident | 7 Ų | 7 | 19.8 Ų | 19.8 | 7% | 0.072 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -62.9 | -19 | -171 | 0 | 0 | 0 | 0 | 0 | 114.1 | D284 D288 G289 K290 | D284-G286 PolarHBondContact OD1-N 3.4Å; G286-D288 PolarHBondContact O-N 3.21Å; G286-G289 PolarHBondContact O-N 2.83Å; G286-K290 PolarHBondContact N-O 3.23Å; G286-K290 VanDerWaalsContact N-O 3.16Å |
| 287 | S | 68.7 | Low | 86.1 | Confident | 56 Ų | 56 | 20 Ų | 20 | 39% | 0.392 | 12% | 0.124 | S | C | . | . | G | 310 helix | trans | -66.5 | -20.9 | 170.9 | 57.3 | 0 | 0 | 0 | 0 | 113.9 | N243 H285 | N243-S287 PolarHBondContact O-OG 3.39Å; H285-S287 PolarHBondContact O-N 3.03Å |
| 288 | D | 68.6 | Low | 85.9 | Confident | 66 Ų | 66 | 23.8 Ų | 23.8 | 35% | 0.353 | 14% | 0.142 | S | C | . | . | G | 310 helix | trans | -105.9 | 16.7 | 170.2 | -158.4 | 39.5 | 0 | 0 | 0 | 111.3 | R244 H285 G286 K290 | R244-D288 WeakPolarHBondContact CG-OD1 3.42Å; R244-D288 IonicContact NE-OD1 3.02Å; R244-D288 PolarHBondContact NE-OD1 3.38Å; H285-D288 WeakPolarHBondContact CE1-CB 3.42Å; H285-D288 IonicContact CE1-OD2 3.78Å; H285-D288 PolarHBondContact CE1-OD2 2.9Å; H285-D288 IonicContact ND1-OD2 3.55Å; H285-D288 IonicContact NE2-OD2 3.25Å; H285-D288 PolarHBondContact O-N 2.87Å; G286-D288 PolarHBondContact O-N 3.21Å; D288-K290 PolarHBondContact O-N 3.03Å |
| 289 | G | 75.3 | Confident | 85.7 | Confident | 30 Ų | 30 | 22.3 Ų | 22.3 | 31% | 0.309 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 10.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | G286 T324 E325 | G286-G289 PolarHBondContact O-N 2.83Å; G289-T324 CarbonylContact O-C 3.12Å; G289-T324 WeakPolarHBondContact O-CA 3.45Å; G289-T324 WeakPolarHBondContact O-CG2 3.36Å; G289-E325 PolarHBondContact O-N 3.47Å |
| 290 | K | 83.6 | Confident | 85.4 | Confident | 22 Ų | 22 | 24.2 Ų | 24.2 | 10% | 0.096 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 145.6 | -176.1 | -176.3 | 167.9 | -174.9 | 170 | 0 | 113.8 | H285 G286 D288 F292 E325 | H285-K290 CarbonylContact C-O 3.59Å; H285-K290 VanDerWaalsContact CA-O 3.25Å; H285-K290 WeakPolarHBondContact CA-O 3.24Å; H285-K290 WeakPolarHBondContact CB-O 3.43Å; H285-K290 PolarHBondContact N-O 3.41Å; H285-K290 PolarHBondContact O-N 3.07Å; H285-K290 VanDerWaalsContact O-O 3.05Å; G286-K290 PolarHBondContact N-O 3.23Å; G286-K290 VanDerWaalsContact N-O 3.16Å; D288-K290 PolarHBondContact O-N 3.03Å; K290-F292 HydrophobicContact CD-CE1 4.37Å; K290-F292 HydrophobicContact CD-CE2 4.13Å; K290-F292 HydrophobicContact CD-CZ 3.83Å; K290-F292 VanDerWaalsContact CE-CE1 3.49Å; K290-F292 VanDerWaalsContact CE-CZ 3.44Å; K290-F292 HydrophobicContact CG-CE2 4.14Å; K290-F292 HydrophobicContact CG-CZ 4.32Å; K290-E325 CarbonylContact C-O 3.57Å; K290-E325 WeakPolarHBondContact CA-O 3.5Å; K290-E325 HydrophobicContact CB-CB 4.09Å; K290-E325 HydrophobicContact CD-CB 4.42Å; K290-E325 HydrophobicContact CG-CB 3.94Å |
| 291 | I | 92.1 | Very high | 84.7 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 151.6 | 166.8 | 64.4 | 170 | 0 | 0 | 0 | 111.2 | L283 A311 F314 I315 T324 E325 V326 Q327 | L283-I291 WeakPolarHBondContact O-CA 3.39Å; I291-A311 HydrophobicContact CD1-CB 3.92Å; I291-F314 HydrophobicContact CD1-CD1 4.08Å; I291-F314 HydrophobicContact CG2-CE1 4.37Å; I291-I315 HydrophobicContact CD1-CD1 4Å; I291-I315 HydrophobicContact CD1-CG1 3.79Å; I291-T324 HydrophobicContact CG1-CG2 4.48Å; I291-T324 HydrophobicContact CG2-CG2 4.26Å; I291-E325 PolarHBondContact N-O 2.69Å; I291-V326 HydrophobicContact CD1-CG2 4.13Å; I291-V326 HydrophobicContact CG1-CB 4.47Å; I291-V326 HydrophobicContact CG1-CG2 3.94Å; I291-Q327 PolarHBondContact O-N 2.87Å |
| 292 | F | 90.9 | Very high | 83.8 | Confident | 3 Ų | 3 | 35 Ų | 35 | 1% | 0.013 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 140.9 | 173.5 | -50.8 | -107.1 | 0 | 0 | 0 | 110.4 | I282 L283 K290 Q327 L329 L337 F338 F341 | I282-F292 CarbonylContact C-O 3.49Å; I282-F292 VanDerWaalsContact CA-O 3.3Å; I282-F292 WeakPolarHBondContact CA-O 3.46Å; L283-F292 HydrophobicContact CB-CB 4.09Å; L283-F292 HydrophobicContact CB-CD2 4.24Å; L283-F292 HydrophobicContact CD2-CD2 3.96Å; L283-F292 HydrophobicContact CD2-CE2 4.36Å; L283-F292 HydrophobicContact CG-CD2 4.49Å; L283-F292 PolarHBondContact N-O 3.38Å; L283-F292 PolarHBondContact O-N 3.07Å; K290-F292 HydrophobicContact CD-CE1 4.37Å; K290-F292 HydrophobicContact CD-CE2 4.13Å; K290-F292 HydrophobicContact CD-CZ 3.83Å; K290-F292 VanDerWaalsContact CE-CE1 3.49Å; K290-F292 VanDerWaalsContact CE-CZ 3.44Å; K290-F292 HydrophobicContact CG-CE2 4.14Å; K290-F292 HydrophobicContact CG-CZ 4.32Å; F292-Q327 CarbonylContact C-O 3.59Å; F292-Q327 WeakPolarHBondContact CA-O 3.2Å; F292-Q327 HydrophobicContact CD1-CB 3.96Å; F292-Q327 HydrophobicContact CD1-CG 4.31Å; F292-Q327 HydrophobicContact CE1-CB 4.46Å; F292-L329 HydrophobicContact CD1-CD1 4.01Å; F292-L337 HydrophobicContact CE1-CB 4.43Å; F292-L337 HydrophobicContact CZ-CB 4.39Å; F292-F338 HydrophobicContact CB-CD2 3.72Å; F292-F338 HydrophobicContact CB-CE2 4.05Å; F292-F338 HydrophobicContact CD1-CB 4.12Å; F292-F338 AromaticContact CD1-CD2 3.96Å; F292-F338 HydrophobicContact CD1-CD2 3.96Å; F292-F338 HydrophobicContact CE1-CB 4.17Å; F292-F338 AromaticContact CG-CD2 3.84Å; F292-F338 HydrophobicContact CG-CD2 3.84Å; F292-F341 AromaticContact CE2-CE2 3.84Å; F292-F341 HydrophobicContact CE2-CE2 3.84Å; F292-F341 HydrophobicContact CZ-CE2 4.21Å |
| 293 | V | 92.9 | Very high | 82.9 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 117.3 | 170.8 | -172.2 | 0 | 0 | 0 | 0 | 108.5 | F281 I282 A307 A311 V326 Q327 I328 L329 | F281-V293 CarbonylContact O-C 3.15Å; F281-V293 WeakPolarHBondContact O-CA 3.26Å; I282-V293 HydrophobicContact CG1-CG2 4.35Å; V293-A307 HydrophobicContact CG1-CB 4.08Å; V293-A311 HydrophobicContact CG2-CB 3.95Å; V293-V326 HydrophobicContact CG2-CG1 4.42Å; V293-Q327 PolarHBondContact N-O 3.3Å; V293-I328 HydrophobicContact CB-CB 4.42Å; V293-I328 HydrophobicContact CB-CG1 4.08Å; V293-I328 HydrophobicContact CB-CG2 4.2Å; V293-I328 HydrophobicContact CG1-CG2 4.5Å; V293-I328 HydrophobicContact CG2-CG1 4.29Å; V293-I328 CarbonylContact O-C 3.58Å; V293-I328 VanDerWaalsContact O-CA 3.29Å; V293-I328 WeakPolarHBondContact O-CA 3.46Å; V293-L329 PolarHBondContact O-N 2.71Å |
| 294 | W | 92.9 | Very high | 82 | Confident | 7 Ų | 7 | 38.7 Ų | 38.7 | 3% | 0.027 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 127.7 | 177.7 | -175 | 92.8 | 0 | 0 | 0 | 110 | L275 E276 C280 F281 L329 E331 E334 F338 | L275-W294 HydrophobicContact CB-CD2 4.48Å; L275-W294 HydrophobicContact CB-CE3 4.39Å; L275-W294 HydrophobicContact CB-CH2 3.91Å; L275-W294 HydrophobicContact CB-CZ2 4.03Å; L275-W294 HydrophobicContact CB-CZ3 4.11Å; L275-W294 HydrophobicContact CD1-CD2 4.25Å; L275-W294 HydrophobicContact CD1-CG 4.4Å; L275-W294 HydrophobicContact CD1-CZ2 4.35Å; L275-W294 HydrophobicContact CD2-CD2 4.08Å; L275-W294 HydrophobicContact CD2-CE3 4.14Å; L275-W294 HydrophobicContact CD2-CG 4.29Å; E276-W294 WeakPolarHBondContact O-CZ3 3.43Å; C280-W294 CarbonylContact C-O 3.41Å; C280-W294 VanDerWaalsContact CA-O 3.28Å; C280-W294 WeakPolarHBondContact CA-O 3.49Å; F281-W294 HydrophobicContact CB-CB 4.44Å; F281-W294 AromaticContact CD2-CE3 3.69Å; F281-W294 HydrophobicContact CD2-CE3 3.69Å; F281-W294 AromaticContact CD2-CZ3 3.93Å; F281-W294 HydrophobicContact CD2-CZ3 3.93Å; F281-W294 HydrophobicContact CE2-CE3 4.34Å; F281-W294 HydrophobicContact CE2-CZ3 4.11Å; F281-W294 PolarHBondContact N-O 3.18Å; F281-W294 PolarHBondContact O-N 3.41Å; W294-L329 CarbonylContact C-O 3.6Å; W294-L329 WeakPolarHBondContact CA-O 3.49Å; W294-E331 HydrophobicContact CH2-CB 4.03Å; W294-E331 HydrophobicContact CH2-CG 4.14Å; W294-E331 HydrophobicContact CZ2-CB 3.5Å; W294-E331 VanDerWaalsContact CZ2-CB 3.5Å; W294-E331 HydrophobicContact CZ2-CG 3.6Å; W294-E334 PolarHBondContact NE1-OE1 3.1Å; W294-F338 HydrophobicContact CB-CE2 4.21Å; W294-F338 HydrophobicContact CB-CZ 3.88Å; W294-F338 AromaticContact CD1-CE1 3.76Å; W294-F338 AromaticContact CD1-CZ 3.67Å; W294-F338 HydrophobicContact CG-CE1 4.47Å; W294-F338 AromaticContact CG-CZ 3.97Å; W294-F338 HydrophobicContact CG-CZ 3.97Å |
| 295 | K | 90 | Very high | 81.3 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.009 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 107.3 | -179.2 | -60.1 | -177.6 | -61.4 | -170.1 | 0 | 109.7 | D85 Q94 R304 A307 I328 L329 E331 | D85-K295 IonicContact OD1-NZ 3.65Å; D85-K295 IonicContact OD2-NZ 2.6Å; D85-K295 PolarHBondContact OD2-NZ 3.27Å; Q94-K295 VanDerWaalsContact NE2-NZ 3.14Å; K295-R304 HydrophobicContact CB-CG 4.42Å; K295-R304 HydrophobicContact CD-CB 4.35Å; K295-A307 HydrophobicContact CD-CB 4.22Å; K295-A307 HydrophobicContact CG-CB 4.41Å; K295-I328 HydrophobicContact CD-CG2 3.71Å; K295-I328 HydrophobicContact CG-CG2 3.89Å; K295-L329 PolarHBondContact N-O 3.28Å; K295-E331 PolarHBondContact O-N 3.16Å |
| 296 | G | 87.3 | Confident | 81.1 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -58.5 | 142.5 | 171 | 0 | 0 | 0 | 0 | 0 | 111.5 | S277 D279 D298 A299 | S277-G296 CarbonylContact O-C 3.57Å; S277-G296 WeakPolarHBondContact O-CA 3.49Å; D279-G296 WeakPolarHBondContact O-CA 3.38Å; D279-G296 PolarHBondContact O-N 2.71Å; D279-G296 VanDerWaalsContact O-N 3.09Å; G296-D298 PolarHBondContact O-N 2.88Å; G296-A299 VanDerWaalsContact O-CB 3.28Å; G296-A299 WeakPolarHBondContact O-CB 3.21Å; G296-A299 PolarHBondContact O-N 2.83Å | ||
| 297 | K | 85.4 | Confident | 81.4 | Confident | 105 Ų | 105 | 43 Ų | 43 | 46% | 0.457 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -29.3 | -176.8 | 73.8 | -167.9 | 166.8 | -146.8 | 0 | 112.8 | S277 E331 | S277-K297 PolarHBondContact O-N 3.16Å; K297-E331 HydrophobicContact CB-CB 4.23Å; K297-E331 HydrophobicContact CB-CG 4.5Å; K297-E331 WeakPolarHBondContact CD-OE1 3.36Å; K297-E331 VanDerWaalsContact CE-OE1 3.29Å; K297-E331 WeakPolarHBondContact CE-OE1 3.34Å; K297-E331 WeakPolarHBondContact CG-OE2 3.27Å; K297-E331 PolarHBondContact N-OE2 3.03Å; K297-E331 IonicContact NZ-OE1 3.31Å; K297-E331 PolarHBondContact NZ-OE1 3.23Å |
| 298 | D | 85 | Confident | 81.9 | Confident | 112 Ų | 112 | 41.2 Ų | 41.2 | 60% | 0.599 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | 0.6 | -178.9 | -55.2 | -49.1 | 0 | 0 | 0 | 111.8 | S277 G296 | S277-D298 VanDerWaalsContact CB-OD2 3.27Å; S277-D298 WeakPolarHBondContact CB-OD2 3.41Å; S277-D298 CarbonylContact O-C 3.56Å; S277-D298 WeakPolarHBondContact O-CA 3.47Å; S277-D298 WeakPolarHBondContact O-CB 2.87Å; S277-D298 PolarHBondContact O-N 3.49Å; G296-D298 PolarHBondContact O-N 2.88Å |
| 299 | A | 84.1 | Confident | 82.6 | Confident | 7 Ų | 7 | 44.4 Ų | 44.4 | 6% | 0.058 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -64.9 | 150 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S277 G278 G296 M301 R304 | S277-A299 PolarHBondContact O-N 2.87Å; S277-A299 VanDerWaalsContact O-N 3.11Å; G278-A299 WeakPolarHBondContact O-CA 3.4Å; G296-A299 VanDerWaalsContact O-CB 3.28Å; G296-A299 WeakPolarHBondContact O-CB 3.21Å; G296-A299 PolarHBondContact O-N 2.83Å; A299-M301 PolarHBondContact O-N 3.35Å; A299-R304 HydrophobicContact CB-CG 4.1Å; A299-R304 WeakPolarHBondContact O-CD 3.42Å |
| 300 | N | 80.4 | Confident | 82.9 | Confident | 70 Ų | 70 | 43.2 Ų | 43.2 | 37% | 0.374 | 21% | 0.212 | S | C | . | . | trans | -57 | 135.3 | -177.6 | 179 | -13.8 | 0 | 0 | 0 | 110.6 | D302 E303 R304 | N300-D302 PolarHBondContact O-N 2.94Å; N300-D302 PolarHBondContact OD1-N 3.28Å; N300-E303 HydrophobicContact CB-CB 4.36Å; N300-E303 HydrophobicContact CB-CG 3.99Å; N300-E303 WeakPolarHBondContact O-CB 3.44Å; N300-E303 PolarHBondContact O-N 2.85Å; N300-R304 WeakPolarHBondContact O-CG 3.32Å; N300-R304 PolarHBondContact O-N 2.85Å | ||
| 301 | M | 75.3 | Confident | 83 | Confident | 117 Ų | 117 | 42.2 Ų | 42.2 | 58% | 0.576 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -53.7 | -37 | 178 | -72.8 | -171 | 69 | 0 | 0 | 113 | A299 E303 R304 K305 | A299-M301 PolarHBondContact O-N 3.35Å; M301-E303 VanDerWaalsContact C-N 3.35Å; M301-R304 PolarHBondContact O-N 3.11Å; M301-K305 WeakPolarHBondContact O-CB 3.32Å; M301-K305 VanDerWaalsContact O-CG 3.29Å; M301-K305 WeakPolarHBondContact O-CG 3.4Å; M301-K305 PolarHBondContact O-N 3.31Å |
| 302 | D | 74.9 | Confident | 82.7 | Confident | 113 Ų | 113 | 45 Ų | 45 | 60% | 0.604 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -68.2 | -35.6 | 177.9 | -68.5 | -28.2 | 0 | 0 | 0 | 111.6 | N300 A306 | N300-D302 PolarHBondContact O-N 2.94Å; N300-D302 PolarHBondContact OD1-N 3.28Å; D302-A306 WeakPolarHBondContact O-CB 3.24Å; D302-A306 PolarHBondContact O-N 3.42Å |
| 303 | E | 74.3 | Confident | 82.5 | Confident | 9 Ų | 9 | 48.8 Ų | 48.8 | 4% | 0.042 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.5 | -43 | 174.7 | -64.3 | -178.5 | 143.6 | 0 | 0 | 111.2 | N254 N300 M301 K305 A306 A307 | N254-E303 HydrophobicContact CB-CG 3.97Å; N254-E303 WeakPolarHBondContact CB-OE1 3.43Å; N254-E303 VanDerWaalsContact CG-CG 3.49Å; N254-E303 PolarHBondContact N-OE1 2.8Å; N254-E303 WeakPolarHBondContact ND2-CG 3.28Å; N254-E303 PolarHBondContact OD1-OE1 2.81Å; N300-E303 HydrophobicContact CB-CB 4.36Å; N300-E303 HydrophobicContact CB-CG 3.99Å; N300-E303 WeakPolarHBondContact O-CB 3.44Å; N300-E303 PolarHBondContact O-N 2.85Å; M301-E303 VanDerWaalsContact C-N 3.35Å; E303-K305 VanDerWaalsContact C-N 3.3Å; E303-K305 PolarHBondContact O-N 2.83Å; E303-A306 CarbonylContact O-C 3.59Å; E303-A306 PolarHBondContact O-N 2.79Å; E303-A306 VanDerWaalsContact O-N 3.16Å; E303-A307 PolarHBondContact O-N 3.41Å |
| 304 | R | 74.8 | Confident | 82.3 | Confident | 69 Ų | 69 | 48.9 Ų | 48.9 | 26% | 0.26 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.2 | -38.7 | 176.8 | -69.1 | 179.2 | 59.1 | -172.3 | -1.5 | 112 | K295 A299 N300 M301 A307 | K295-R304 HydrophobicContact CB-CG 4.42Å; K295-R304 HydrophobicContact CD-CB 4.35Å; A299-R304 HydrophobicContact CB-CG 4.1Å; A299-R304 WeakPolarHBondContact O-CD 3.42Å; N300-R304 WeakPolarHBondContact O-CG 3.32Å; N300-R304 PolarHBondContact O-N 2.85Å; M301-R304 PolarHBondContact O-N 3.11Å; R304-A307 WeakPolarHBondContact O-CB 3.48Å |
| 305 | K | 75.4 | Confident | 82.1 | Confident | 85 Ų | 85 | 49 Ų | 49 | 37% | 0.37 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -75.2 | -29.3 | 175.7 | -72 | -178.9 | -179.9 | -152.5 | 0 | 113.1 | V82 D86 M301 E303 A307 | V82-K305 HydrophobicContact CG1-CB 4.41Å; V82-K305 HydrophobicContact CG1-CG 4.1Å; D86-K305 WeakPolarHBondContact OD2-CE 3.37Å; D86-K305 IonicContact OD2-NZ 2.8Å; D86-K305 PolarHBondContact OD2-NZ 3.24Å; M301-K305 WeakPolarHBondContact O-CB 3.32Å; M301-K305 VanDerWaalsContact O-CG 3.29Å; M301-K305 WeakPolarHBondContact O-CG 3.4Å; M301-K305 PolarHBondContact O-N 3.31Å; E303-K305 VanDerWaalsContact C-N 3.3Å; E303-K305 PolarHBondContact O-N 2.83Å; K305-A307 VanDerWaalsContact C-N 3.27Å; K305-A307 PolarHBondContact O-N 2.92Å |
| 306 | A | 77.7 | Confident | 82 | Confident | 27 Ų | 27 | 56.5 Ų | 56.5 | 22% | 0.223 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 0.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | M259 D302 E303 L308 K309 A310 | M259-A306 HydrophobicContact CE-CB 4.24Å; D302-A306 WeakPolarHBondContact O-CB 3.24Å; D302-A306 PolarHBondContact O-N 3.42Å; E303-A306 CarbonylContact O-C 3.59Å; E303-A306 PolarHBondContact O-N 2.79Å; E303-A306 VanDerWaalsContact O-N 3.16Å; A306-L308 VanDerWaalsContact C-N 3.35Å; A306-L308 PolarHBondContact O-N 3.1Å; A306-K309 CarbonylContact O-C 3.57Å; A306-K309 WeakPolarHBondContact O-CB 3.35Å; A306-K309 PolarHBondContact O-N 3.42Å; A306-K309 VanDerWaalsContact O-N 3.08Å; A306-A310 WeakPolarHBondContact O-CB 3.43Å; A306-A310 PolarHBondContact O-N 2.81Å |
| 307 | A | 79.4 | Confident | 82 | Confident | 3 Ų | 3 | 63.2 Ų | 63.2 | 3% | 0.025 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -55.2 | -41.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | V293 K295 E303 R304 K305 A310 A311 I328 | V293-A307 HydrophobicContact CG1-CB 4.08Å; K295-A307 HydrophobicContact CD-CB 4.22Å; K295-A307 HydrophobicContact CG-CB 4.41Å; E303-A307 PolarHBondContact O-N 3.41Å; R304-A307 WeakPolarHBondContact O-CB 3.48Å; K305-A307 VanDerWaalsContact C-N 3.27Å; K305-A307 PolarHBondContact O-N 2.92Å; A307-A310 WeakPolarHBondContact O-CB 2.93Å; A307-A310 PolarHBondContact O-N 3.2Å; A307-A311 PolarHBondContact O-N 3.4Å; A307-A311 VanDerWaalsContact O-N 3.11Å; A307-I328 HydrophobicContact CB-CD1 4Å; A307-I328 HydrophobicContact CB-CG2 3.99Å |
| 308 | L | 79.7 | Confident | 82 | Confident | 17 Ų | 17 | 61.3 Ų | 61.3 | 9% | 0.089 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.6 | -44.9 | 175.8 | -78.9 | 167.9 | 0 | 0 | 0 | 112 | F63 A78 V82 A306 A310 A311 D312 I328 | F63-L308 HydrophobicContact CE1-CD1 4.22Å; F63-L308 HydrophobicContact CE1-CD2 3.55Å; F63-L308 HydrophobicContact CZ-CD2 3.72Å; A78-L308 HydrophobicContact CB-CD1 4.31Å; V82-L308 HydrophobicContact CG2-CD1 3.89Å; A306-L308 VanDerWaalsContact C-N 3.35Å; A306-L308 PolarHBondContact O-N 3.1Å; L308-A310 VanDerWaalsContact C-N 3.29Å; L308-A310 PolarHBondContact O-N 3.32Å; L308-A311 PolarHBondContact O-N 3.24Å; L308-D312 PolarHBondContact O-N 2.92Å; L308-D312 VanDerWaalsContact O-N 3.11Å; L308-I328 HydrophobicContact CB-CD1 4.32Å; L308-I328 HydrophobicContact CD2-CD1 3.43Å; L308-I328 VanDerWaalsContact CD2-CD1 3.43Å; L308-I328 HydrophobicContact CG-CD1 3.51Å |
| 309 | K | 82.7 | Confident | 82 | Confident | 134 Ų | 134 | 59 Ų | 59 | 58% | 0.583 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -63.7 | -37.3 | 176.3 | -175.1 | 178.2 | 173.2 | -175.7 | 0 | 111.4 | A306 D312 E313 | A306-K309 CarbonylContact O-C 3.57Å; A306-K309 WeakPolarHBondContact O-CB 3.35Å; A306-K309 PolarHBondContact O-N 3.42Å; A306-K309 VanDerWaalsContact O-N 3.08Å; K309-D312 PolarHBondContact O-N 3Å; K309-E313 WeakPolarHBondContact CE-OE1 3.1Å; K309-E313 IonicContact NZ-OE1 3.14Å; K309-E313 WeakPolarHBondContact O-CB 3.38Å; K309-E313 WeakPolarHBondContact O-CG 3.37Å; K309-E313 PolarHBondContact O-N 2.85Å |
| 310 | A | 82.3 | Confident | 82.1 | Confident | 5 Ų | 5 | 61.4 Ų | 61.4 | 4% | 0.041 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56.2 | -49.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | M259 A306 A307 L308 E313 F314 | M259-A310 HydrophobicContact CE-CB 3.04Å; A306-A310 WeakPolarHBondContact O-CB 3.43Å; A306-A310 PolarHBondContact O-N 2.81Å; A307-A310 WeakPolarHBondContact O-CB 2.93Å; A307-A310 PolarHBondContact O-N 3.2Å; L308-A310 VanDerWaalsContact C-N 3.29Å; L308-A310 PolarHBondContact O-N 3.32Å; A310-E313 PolarHBondContact O-N 3.27Å; A310-F314 VanDerWaalsContact O-CB 3.24Å; A310-F314 WeakPolarHBondContact O-CB 3.46Å; A310-F314 PolarHBondContact O-N 3.46Å |
| 311 | A | 86.7 | Confident | 82.2 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.008 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.1 | -46.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | I291 V293 A307 L308 E313 F314 I315 V326 | I291-A311 HydrophobicContact CD1-CB 3.92Å; V293-A311 HydrophobicContact CG2-CB 3.95Å; A307-A311 PolarHBondContact O-N 3.4Å; A307-A311 VanDerWaalsContact O-N 3.11Å; L308-A311 PolarHBondContact O-N 3.24Å; A311-E313 PolarHBondContact O-N 2.84Å; A311-F314 WeakPolarHBondContact O-CB 3.43Å; A311-F314 PolarHBondContact O-N 2.78Å; A311-I315 VanDerWaalsContact O-CG1 3.31Å; A311-I315 WeakPolarHBondContact O-CG1 3.33Å; A311-I315 PolarHBondContact O-N 3.2Å; A311-V326 HydrophobicContact CB-CB 4.4Å; A311-V326 HydrophobicContact CB-CG1 3.48Å; A311-V326 VanDerWaalsContact CB-CG1 3.48Å; A311-V326 HydrophobicContact CB-CG2 3.98Å |
| 312 | D | 85.3 | Confident | 82.6 | Confident | 59 Ų | 59 | 64 Ų | 64 | 32% | 0.316 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.2 | -42.3 | 177.7 | -82.5 | -16 | 0 | 0 | 0 | 112.7 | R96 L308 K309 F314 K316 | R96-D312 IonicContact NE-OD1 3.79Å; L308-D312 PolarHBondContact O-N 2.92Å; L308-D312 VanDerWaalsContact O-N 3.11Å; K309-D312 PolarHBondContact O-N 3Å; D312-F314 VanDerWaalsContact C-N 3.34Å; D312-K316 VanDerWaalsContact O-CG 3.27Å; D312-K316 WeakPolarHBondContact O-CG 3.3Å; D312-K316 PolarHBondContact O-N 3.29Å; D312-K316 VanDerWaalsContact O-N 3.12Å |
| 313 | E | 86.5 | Confident | 82.9 | Confident | 82 Ų | 82 | 62.2 Ų | 62.2 | 38% | 0.383 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.3 | -38.1 | 175.5 | -74.3 | 179.9 | -180 | 0 | 0 | 111.5 | K309 A310 A311 K316 K317 | K309-E313 WeakPolarHBondContact CE-OE1 3.1Å; K309-E313 IonicContact NZ-OE1 3.14Å; K309-E313 WeakPolarHBondContact O-CB 3.38Å; K309-E313 WeakPolarHBondContact O-CG 3.37Å; K309-E313 PolarHBondContact O-N 2.85Å; A310-E313 PolarHBondContact O-N 3.27Å; A311-E313 PolarHBondContact O-N 2.84Å; E313-K316 PolarHBondContact O-N 2.93Å; E313-K317 VanDerWaalsContact O-CB 3.26Å; E313-K317 WeakPolarHBondContact O-CB 3.49Å; E313-K317 PolarHBondContact O-N 2.71Å |
| 314 | F | 88.2 | Confident | 83.4 | Confident | 3 Ų | 3 | 61.9 Ų | 61.9 | 1% | 0.013 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.2 | -47.9 | 176.3 | -174.1 | -96.4 | 0 | 0 | 0 | 111.9 | Y250 V261 I282 D284 I291 A310 A311 D312 K316 K317 M318 Y320 | Y250-F314 HydrophobicContact CD2-CE2 4.04Å; Y250-F314 AromaticContact CD2-CZ 3.88Å; Y250-F314 HydrophobicContact CD2-CZ 3.88Å; Y250-F314 HydrophobicContact CE2-CE2 4.15Å; Y250-F314 AromaticContact CE2-CZ 3.74Å; Y250-F314 HydrophobicContact CE2-CZ 3.74Å; Y250-F314 HydrophobicContact CG-CE2 4.25Å; V261-F314 HydrophobicContact CG1-CD2 3.97Å; V261-F314 HydrophobicContact CG1-CE2 3.87Å; V261-F314 HydrophobicContact CG2-CD2 4.38Å; I282-F314 HydrophobicContact CD1-CB 3.82Å; I282-F314 HydrophobicContact CD1-CD1 4.45Å; I282-F314 HydrophobicContact CD1-CD2 3.8Å; I282-F314 HydrophobicContact CD1-CG 3.77Å; I282-F314 HydrophobicContact CG2-CD1 3.95Å; I282-F314 HydrophobicContact CG2-CD2 4.44Å; I282-F314 HydrophobicContact CG2-CE1 3.83Å; I282-F314 HydrophobicContact CG2-CE2 4.33Å; I282-F314 HydrophobicContact CG2-CG 4.26Å; I282-F314 HydrophobicContact CG2-CZ 4.03Å; D284-F314 HydrophobicContact CB-CE1 3.98Å; D284-F314 HydrophobicContact CB-CZ 3.87Å; I291-F314 HydrophobicContact CD1-CD1 4.08Å; I291-F314 HydrophobicContact CG2-CE1 4.37Å; A310-F314 VanDerWaalsContact O-CB 3.24Å; A310-F314 WeakPolarHBondContact O-CB 3.46Å; A310-F314 PolarHBondContact O-N 3.46Å; A311-F314 WeakPolarHBondContact O-CB 3.43Å; A311-F314 PolarHBondContact O-N 2.78Å; D312-F314 VanDerWaalsContact C-N 3.34Å; F314-K316 VanDerWaalsContact C-N 3.31Å; F314-K316 PolarHBondContact O-N 3.02Å; F314-K317 PolarHBondContact O-N 3.32Å; F314-K317 VanDerWaalsContact O-N 3.16Å; F314-M318 HydrophobicContact CD1-CG 4.07Å; F314-M318 HydrophobicContact CD2-CG 4.28Å; F314-M318 HydrophobicContact CE1-CG 3.71Å; F314-M318 HydrophobicContact CE2-CG 3.95Å; F314-M318 HydrophobicContact CE2-SD 4.26Å; F314-M318 HydrophobicContact CG-CG 4.34Å; F314-M318 HydrophobicContact CZ-CE 4.32Å; F314-M318 HydrophobicContact CZ-CG 3.65Å; F314-M318 HydrophobicContact CZ-SD 4.15Å; F314-M318 WeakPolarHBondContact O-CB 3.26Å; F314-M318 VanDerWaalsContact O-CG 3.29Å; F314-M318 WeakPolarHBondContact O-CG 3.33Å; F314-M318 PolarHBondContact O-N 2.77Å; F314-Y320 HydrophobicContact CE1-CE2 4.16Å |
| 315 | I | 88.3 | Confident | 83.9 | Confident | 8 Ų | 8 | 60.9 Ų | 60.9 | 4% | 0.041 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -55 | -47.6 | 175.4 | -73 | 168 | 0 | 0 | 0 | 110.3 | I291 A311 M318 G319 Y320 T324 V326 | I291-I315 HydrophobicContact CD1-CD1 4Å; I291-I315 HydrophobicContact CD1-CG1 3.79Å; A311-I315 VanDerWaalsContact O-CG1 3.31Å; A311-I315 WeakPolarHBondContact O-CG1 3.33Å; A311-I315 PolarHBondContact O-N 3.2Å; I315-M318 PolarHBondContact O-N 2.91Å; I315-G319 PolarHBondContact O-N 3.45Å; I315-G319 VanDerWaalsContact O-N 3.07Å; I315-Y320 PolarHBondContact O-N 2.78Å; I315-T324 HydrophobicContact CD1-CG2 4.12Å; I315-T324 HydrophobicContact CG1-CG2 4.22Å; I315-V326 HydrophobicContact CD1-CG2 3.65Å |
| 316 | K | 88.5 | Confident | 84.6 | Confident | 160 Ų | 160 | 57 Ų | 57 | 70% | 0.696 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -62.4 | -45.5 | 177 | -72.1 | 169.5 | -172 | 168.9 | 0 | 112.3 | D312 E313 F314 M318 G319 | D312-K316 VanDerWaalsContact O-CG 3.27Å; D312-K316 WeakPolarHBondContact O-CG 3.3Å; D312-K316 PolarHBondContact O-N 3.29Å; D312-K316 VanDerWaalsContact O-N 3.12Å; E313-K316 PolarHBondContact O-N 2.93Å; F314-K316 VanDerWaalsContact C-N 3.31Å; F314-K316 PolarHBondContact O-N 3.02Å; K316-M318 VanDerWaalsContact C-N 3.32Å; K316-M318 PolarHBondContact O-N 2.8Å; K316-G319 PolarHBondContact O-N 3.07Å |
| 317 | K | 87.4 | Confident | 85.2 | Confident | 142 Ų | 142 | 55.8 Ų | 55.8 | 62% | 0.617 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -62.9 | -38.9 | -179.1 | -179 | -177.9 | 176.8 | -175.2 | 0 | 112 | E313 F314 G319 | E313-K317 VanDerWaalsContact O-CB 3.26Å; E313-K317 WeakPolarHBondContact O-CB 3.49Å; E313-K317 PolarHBondContact O-N 2.71Å; F314-K317 PolarHBondContact O-N 3.32Å; F314-K317 VanDerWaalsContact O-N 3.16Å; K317-G319 VanDerWaalsContact C-N 3.33Å |
| 318 | M | 85.7 | Confident | 85.7 | Confident | 64 Ų | 64 | 55.7 Ų | 55.7 | 32% | 0.315 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -84.3 | -8.9 | -178.8 | -62.3 | -61.3 | -75.3 | 0 | 0 | 113.1 | F314 I315 K316 Y320 | F314-M318 HydrophobicContact CD1-CG 4.07Å; F314-M318 HydrophobicContact CD2-CG 4.28Å; F314-M318 HydrophobicContact CE1-CG 3.71Å; F314-M318 HydrophobicContact CE2-CG 3.95Å; F314-M318 HydrophobicContact CE2-SD 4.26Å; F314-M318 HydrophobicContact CG-CG 4.34Å; F314-M318 HydrophobicContact CZ-CE 4.32Å; F314-M318 HydrophobicContact CZ-CG 3.65Å; F314-M318 HydrophobicContact CZ-SD 4.15Å; F314-M318 WeakPolarHBondContact O-CB 3.26Å; F314-M318 VanDerWaalsContact O-CG 3.29Å; F314-M318 WeakPolarHBondContact O-CG 3.33Å; F314-M318 PolarHBondContact O-N 2.77Å; I315-M318 PolarHBondContact O-N 2.91Å; K316-M318 VanDerWaalsContact C-N 3.32Å; K316-M318 PolarHBondContact O-N 2.8Å; M318-Y320 VanDerWaalsContact C-N 3.31Å; M318-Y320 HydrophobicContact CB-CD2 3.48Å; M318-Y320 VanDerWaalsContact CB-CD2 3.48Å; M318-Y320 HydrophobicContact CB-CE1 4.48Å; M318-Y320 HydrophobicContact CB-CE2 3.31Å; M318-Y320 HydrophobicContact CB-CG 4.13Å; M318-Y320 HydrophobicContact CE-CE2 4.38Å; M318-Y320 HydrophobicContact CG-CD2 4.28Å; M318-Y320 HydrophobicContact CG-CE2 3.81Å |
| 319 | G | 84.4 | Confident | 86.1 | Confident | 65 Ų | 65 | 54.9 Ų | 54.9 | 67% | 0.67 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.6 | 23.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | I315 K316 K317 | I315-G319 PolarHBondContact O-N 3.45Å; I315-G319 VanDerWaalsContact O-N 3.07Å; K316-G319 PolarHBondContact O-N 3.07Å; K317-G319 VanDerWaalsContact C-N 3.33Å |
| 320 | Y | 85.9 | Confident | 86.3 | Confident | 56 Ų | 56 | 49.1 Ų | 49.1 | 22% | 0.22 | 25% | 0.248 | C | C | . | . | trans | -73.9 | 155.5 | 177.5 | -65.8 | -44.5 | 0 | 0 | 0 | 111.7 | D284 F314 I315 M318 | D284-Y320 WeakPolarHBondContact OD1-CE2 3.4Å; D284-Y320 PolarHBondContact OD1-OH 3.26Å; D284-Y320 VanDerWaalsContact OD1-OH 3.06Å; D284-Y320 PolarHBondContact OD2-OH 3.21Å; F314-Y320 HydrophobicContact CE1-CE2 4.16Å; I315-Y320 PolarHBondContact O-N 2.78Å; M318-Y320 VanDerWaalsContact C-N 3.31Å; M318-Y320 HydrophobicContact CB-CD2 3.48Å; M318-Y320 VanDerWaalsContact CB-CD2 3.48Å; M318-Y320 HydrophobicContact CB-CE1 4.48Å; M318-Y320 HydrophobicContact CB-CE2 3.31Å; M318-Y320 HydrophobicContact CB-CG 4.13Å; M318-Y320 HydrophobicContact CE-CE2 4.38Å; M318-Y320 HydrophobicContact CG-CD2 4.28Å; M318-Y320 HydrophobicContact CG-CE2 3.81Å | ||
| 321 | P | 82.4 | Confident | 86.4 | Confident | 62 Ų | 62 | 50.5 Ų | 50.5 | 40% | 0.403 | 25% | 0.254 | S | S | . | . | trans | -56.7 | 147.9 | 175.1 | -24.1 | 34.1 | 0 | 0 | 0 | 112.9 | H323 T324 | P321-H323 WeakPolarHBondContact CB-CE1 3.29Å; P321-H323 VanDerWaalsContact CB-NE2 3.33Å; P321-H323 WeakPolarHBondContact CB-NE2 3.49Å; P321-H323 PolarHBondContact O-N 2.95Å; P321-H323 VanDerWaalsContact O-N 3.11Å; P321-T324 WeakPolarHBondContact O-CB 3.31Å; P321-T324 PolarHBondContact O-N 3.02Å; P321-T324 PolarHBondContact O-OG1 3Å | ||
| 322 | K | 83.5 | Confident | 85.9 | Confident | 180 Ų | 180 | 54.1 Ų | 54.1 | 78% | 0.783 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -19.6 | 177.8 | -67.9 | -176 | 179.2 | 179.2 | 0 | 113.9 | R96 T324 | R96-K322 PolarHBondContact NH1-O 3.21Å; R96-K322 PolarHBondContact NH2-O 3.29Å; K322-T324 VanDerWaalsContact C-N 3.35Å |
| 323 | H | 81.9 | Confident | 85.6 | Confident | 76 Ų | 76 | 51.9 Ų | 51.9 | 35% | 0.352 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 6 | 177.8 | 60.6 | -115.7 | 0 | 0 | 0 | 113.3 | H101 P321 E325 | H101-H323 HydrophobicContact CB-CB 3.83Å; H101-H323 AromaticContact CD2-CG 3.71Å; H101-H323 AromaticContact CE1-CD2 3.62Å; H101-H323 AromaticContact CE1-CE1 3.72Å; H101-H323 AromaticContact CE1-CG 3.66Å; H101-H323 AromaticContact CE1-ND1 3.72Å; H101-H323 AromaticContact CE1-NE2 3.71Å; H101-H323 AromaticContact CG-CD2 3.86Å; H101-H323 AromaticContact CG-CG 3.7Å; H101-H323 AromaticContact ND1-CD2 3.44Å; H101-H323 PolarHBondContact ND1-CD2 3Å; H101-H323 AromaticContact ND1-CG 3.67Å; H101-H323 AromaticContact ND1-NE2 3.92Å; H101-H323 AromaticContact NE2-CE1 3.98Å; H101-H323 AromaticContact NE2-CG 3.67Å; H101-H323 AromaticContact NE2-ND1 3.59Å; P321-H323 WeakPolarHBondContact CB-CE1 3.29Å; P321-H323 VanDerWaalsContact CB-NE2 3.33Å; P321-H323 WeakPolarHBondContact CB-NE2 3.49Å; P321-H323 PolarHBondContact O-N 2.95Å; P321-H323 VanDerWaalsContact O-N 3.11Å; H323-E325 PolarHBondContact O-N 3.11Å |
| 324 | T | 84.1 | Confident | 85.4 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | trans | -54.8 | 128.3 | 172.6 | -66.5 | 0 | 0 | 0 | 0 | 110.3 | G289 I291 I315 P321 K322 | G289-T324 CarbonylContact O-C 3.12Å; G289-T324 WeakPolarHBondContact O-CA 3.45Å; G289-T324 WeakPolarHBondContact O-CG2 3.36Å; I291-T324 HydrophobicContact CG1-CG2 4.48Å; I291-T324 HydrophobicContact CG2-CG2 4.26Å; I315-T324 HydrophobicContact CD1-CG2 4.12Å; I315-T324 HydrophobicContact CG1-CG2 4.22Å; P321-T324 WeakPolarHBondContact O-CB 3.31Å; P321-T324 PolarHBondContact O-N 3.02Å; P321-T324 PolarHBondContact O-OG1 3Å; K322-T324 VanDerWaalsContact C-N 3.35Å | ||
| 325 | E | 85.4 | Confident | 84.6 | Confident | 48 Ų | 48 | 48.3 Ų | 48.3 | 22% | 0.224 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 137.8 | 178.7 | -68 | -176.4 | -160.5 | 0 | 0 | 110.3 | G289 K290 I291 H323 | G289-E325 PolarHBondContact O-N 3.47Å; K290-E325 CarbonylContact C-O 3.57Å; K290-E325 WeakPolarHBondContact CA-O 3.5Å; K290-E325 HydrophobicContact CB-CB 4.09Å; K290-E325 HydrophobicContact CD-CB 4.42Å; K290-E325 HydrophobicContact CG-CB 3.94Å; I291-E325 PolarHBondContact N-O 2.69Å; H323-E325 PolarHBondContact O-N 3.11Å |
| 326 | V | 91.2 | Very high | 83.6 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.024 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 124 | 175.6 | -179.5 | 0 | 0 | 0 | 0 | 109.1 | Y95 R96 I291 V293 A311 I315 I328 | Y95-V326 WeakPolarHBondContact CA-O 3.36Å; R96-V326 HydrophobicContact CB-CB 3.91Å; R96-V326 HydrophobicContact CB-CG2 4.47Å; R96-V326 PolarHBondContact N-O 2.69Å; I291-V326 HydrophobicContact CD1-CG2 4.13Å; I291-V326 HydrophobicContact CG1-CB 4.47Å; I291-V326 HydrophobicContact CG1-CG2 3.94Å; V293-V326 HydrophobicContact CG2-CG1 4.42Å; A311-V326 HydrophobicContact CB-CB 4.4Å; A311-V326 HydrophobicContact CB-CG1 3.48Å; A311-V326 VanDerWaalsContact CB-CG1 3.48Å; A311-V326 HydrophobicContact CB-CG2 3.98Å; I315-V326 HydrophobicContact CD1-CG2 3.65Å; V326-I328 HydrophobicContact CG1-CG1 4.1Å |
| 327 | Q | 90 | Very high | 82.9 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.009 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 125.1 | 172.6 | -172.5 | 172.8 | 14.3 | 0 | 0 | 110.5 | I93 Q94 Y95 I291 F292 V293 L329 | I93-Q327 HydrophobicContact CG2-CG 3.9Å; Q94-Q327 CarbonylContact O-C 3.58Å; Q94-Q327 WeakPolarHBondContact O-CA 3.44Å; Y95-Q327 HydrophobicContact CD1-CB 4.42Å; Y95-Q327 HydrophobicContact CD1-CG 3.99Å; Y95-Q327 VanDerWaalsContact CE1-CD 3.49Å; Y95-Q327 HydrophobicContact CE1-CG 3.74Å; Y95-Q327 VanDerWaalsContact CZ-NE2 3.35Å; Y95-Q327 PolarHBondContact OH-NE2 2.94Å; Y95-Q327 VanDerWaalsContact OH-NE2 3.07Å; I291-Q327 PolarHBondContact O-N 2.87Å; F292-Q327 CarbonylContact C-O 3.59Å; F292-Q327 WeakPolarHBondContact CA-O 3.2Å; F292-Q327 HydrophobicContact CD1-CB 3.96Å; F292-Q327 HydrophobicContact CD1-CG 4.31Å; F292-Q327 HydrophobicContact CE1-CB 4.46Å; V293-Q327 PolarHBondContact N-O 3.3Å; Q327-L329 HydrophobicContact CG-CD2 4.02Å; Q327-L329 HydrophobicContact CG-CG 4.3Å |
| 328 | I | 90.4 | Very high | 82.5 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 122.4 | -179.2 | -50.1 | 179.3 | 0 | 0 | 0 | 109.2 | I93 Q94 V293 K295 A307 L308 V326 | I93-I328 WeakPolarHBondContact CA-O 3.44Å; Q94-I328 HydrophobicContact CB-CB 4.09Å; Q94-I328 PolarHBondContact N-O 2.85Å; Q94-I328 PolarHBondContact O-N 3.29Å; V293-I328 HydrophobicContact CB-CB 4.42Å; V293-I328 HydrophobicContact CB-CG1 4.08Å; V293-I328 HydrophobicContact CB-CG2 4.2Å; V293-I328 HydrophobicContact CG1-CG2 4.5Å; V293-I328 HydrophobicContact CG2-CG1 4.29Å; V293-I328 CarbonylContact O-C 3.58Å; V293-I328 VanDerWaalsContact O-CA 3.29Å; V293-I328 WeakPolarHBondContact O-CA 3.46Å; K295-I328 HydrophobicContact CD-CG2 3.71Å; K295-I328 HydrophobicContact CG-CG2 3.89Å; A307-I328 HydrophobicContact CB-CD1 4Å; A307-I328 HydrophobicContact CB-CG2 3.99Å; L308-I328 HydrophobicContact CB-CD1 4.32Å; L308-I328 HydrophobicContact CD2-CD1 3.43Å; L308-I328 VanDerWaalsContact CD2-CD1 3.43Å; L308-I328 HydrophobicContact CG-CD1 3.51Å; V326-I328 HydrophobicContact CG1-CG1 4.1Å |
| 329 | L | 86.9 | Confident | 82 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 129.3 | -171.3 | -58.9 | 168.5 | 0 | 0 | 0 | 110 | I93 F292 V293 W294 K295 Q327 T335 F338 | I93-L329 HydrophobicContact CB-CD2 4.35Å; I93-L329 HydrophobicContact CD1-CD2 4.28Å; I93-L329 HydrophobicContact CG1-CD2 3.95Å; I93-L329 HydrophobicContact CG2-CD2 3.54Å; F292-L329 HydrophobicContact CD1-CD1 4.01Å; V293-L329 PolarHBondContact O-N 2.71Å; W294-L329 CarbonylContact C-O 3.6Å; W294-L329 WeakPolarHBondContact CA-O 3.49Å; K295-L329 PolarHBondContact N-O 3.28Å; Q327-L329 HydrophobicContact CG-CD2 4.02Å; Q327-L329 HydrophobicContact CG-CG 4.3Å; L329-T335 HydrophobicContact CD2-CG2 3.82Å; L329-F338 HydrophobicContact CD1-CB 3.44Å; L329-F338 VanDerWaalsContact CD1-CB 3.44Å; L329-F338 HydrophobicContact CD1-CD1 4.09Å; L329-F338 HydrophobicContact CD1-CD2 3.5Å; L329-F338 VanDerWaalsContact CD1-CD2 3.5Å; L329-F338 HydrophobicContact CD1-CE2 4.21Å; L329-F338 HydrophobicContact CD1-CG 3.4Å |
| 330 | P | 87.3 | Confident | 81.2 | Confident | 13 Ų | 13 | 32.6 Ų | 32.6 | 8% | 0.084 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 151.6 | 165.2 | 30.2 | -29.6 | 0 | 0 | 0 | 111.1 | G90 S332 G333 | G90-P330 WeakPolarHBondContact O-CB 3.36Å; P330-S332 PolarHBondContact O-N 3.34Å; P330-G333 WeakPolarHBondContact O-CA 3.26Å; P330-G333 PolarHBondContact O-N 2.76Å |
| 331 | E | 84.6 | Confident | 80.8 | Confident | 35 Ų | 35 | 30 Ų | 30 | 16% | 0.164 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | 134.5 | 167.9 | 175.2 | 175.2 | 162.8 | 0 | 0 | 110.1 | S277 W294 K295 K297 G333 E334 | S277-E331 WeakPolarHBondContact CA-OE2 3.49Å; S277-E331 WeakPolarHBondContact CB-OE2 3.31Å; S277-E331 VanDerWaalsContact OG-CD 3.24Å; S277-E331 PolarHBondContact OG-OE1 3.45Å; S277-E331 PolarHBondContact OG-OE2 2.88Å; W294-E331 HydrophobicContact CH2-CB 4.03Å; W294-E331 HydrophobicContact CH2-CG 4.14Å; W294-E331 HydrophobicContact CZ2-CB 3.5Å; W294-E331 VanDerWaalsContact CZ2-CB 3.5Å; W294-E331 HydrophobicContact CZ2-CG 3.6Å; K295-E331 PolarHBondContact O-N 3.16Å; K297-E331 HydrophobicContact CB-CB 4.23Å; K297-E331 HydrophobicContact CB-CG 4.5Å; K297-E331 WeakPolarHBondContact CD-OE1 3.36Å; K297-E331 VanDerWaalsContact CE-OE1 3.29Å; K297-E331 WeakPolarHBondContact CE-OE1 3.34Å; K297-E331 WeakPolarHBondContact CG-OE2 3.27Å; K297-E331 PolarHBondContact N-OE2 3.03Å; K297-E331 IonicContact NZ-OE1 3.31Å; K297-E331 PolarHBondContact NZ-OE1 3.23Å; E331-G333 PolarHBondContact O-N 2.91Å; E331-E334 WeakPolarHBondContact CA-OE1 3.04Å |
| 332 | S | 76.9 | Confident | 80.5 | Confident | 77 Ų | 77 | 27.5 Ų | 27.5 | 54% | 0.538 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 0.9 | -172.4 | -43.1 | 0 | 0 | 0 | 0 | 115.4 | P330 E334 A357 | P330-S332 PolarHBondContact O-N 3.34Å; S332-E334 VanDerWaalsContact C-OE2 3.25Å; S332-E334 WeakPolarHBondContact CA-OE2 3.38Å; S332-E334 VanDerWaalsContact N-CD 3.28Å; S332-E334 PolarHBondContact N-OE1 2.95Å; S332-E334 PolarHBondContact N-OE2 3.13Å; S332-E334 VanDerWaalsContact N-OE2 3.12Å; S332-A357 WeakPolarHBondContact O-CB 3.48Å |
| 333 | G | 77.6 | Confident | 79.9 | Confident | 12 Ų | 12 | 25.5 Ų | 25.5 | 12% | 0.124 | 13% | 0.132 | C | C | . | . | trans | -110 | 22.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I93 P330 E331 | I93-G333 WeakPolarHBondContact CD1-O 3.49Å; P330-G333 WeakPolarHBondContact O-CA 3.26Å; P330-G333 PolarHBondContact O-N 2.76Å; E331-G333 PolarHBondContact O-N 2.91Å | ||
| 334 | E | 82.9 | Confident | 78.9 | Confident | 6 Ų | 6 | 26.9 Ų | 26.9 | 3% | 0.028 | 14% | 0.142 | C | C | . | . | trans | -71.5 | 139.9 | -174.8 | -53.4 | 85.2 | 172.5 | 0 | 0 | 111.8 | W294 E331 S332 F338 K339 W345 | W294-E334 PolarHBondContact NE1-OE1 3.1Å; E331-E334 WeakPolarHBondContact CA-OE1 3.04Å; S332-E334 VanDerWaalsContact C-OE2 3.25Å; S332-E334 WeakPolarHBondContact CA-OE2 3.38Å; S332-E334 VanDerWaalsContact N-CD 3.28Å; S332-E334 PolarHBondContact N-OE1 2.95Å; S332-E334 PolarHBondContact N-OE2 3.13Å; S332-E334 VanDerWaalsContact N-OE2 3.12Å; E334-F338 HydrophobicContact CB-CD1 3.76Å; E334-F338 HydrophobicContact CB-CE1 4.34Å; E334-F338 HydrophobicContact CG-CD1 3.81Å; E334-F338 HydrophobicContact CG-CE1 3.87Å; E334-K339 HydrophobicContact CB-CD 4.47Å; E334-K339 HydrophobicContact CB-CG 3.99Å; E334-K339 WeakPolarHBondContact O-CE 3.39Å; E334-W345 HydrophobicContact CB-CH2 4.41Å; E334-W345 HydrophobicContact CB-CZ2 4.16Å; E334-W345 VanDerWaalsContact CD-CZ2 3.48Å; E334-W345 HydrophobicContact CG-CH2 3.79Å; E334-W345 HydrophobicContact CG-CZ2 3.78Å | ||
| 335 | T | 71.8 | Confident | 78 | Confident | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.018 | 15% | 0.148 | C | C | . | . | trans | -84.8 | 156.7 | 177.5 | 61 | 0 | 0 | 0 | 0 | 111.9 | I93 L329 L337 F338 K339 Y358 | I93-T335 HydrophobicContact CD1-CG2 3.68Å; L329-T335 HydrophobicContact CD2-CG2 3.82Å; T335-L337 PolarHBondContact O-N 3.46Å; T335-F338 WeakPolarHBondContact O-CB 3.48Å; T335-F338 PolarHBondContact O-N 2.79Å; T335-K339 WeakPolarHBondContact O-CG 3.47Å; T335-K339 PolarHBondContact O-N 3.09Å; T335-Y358 HydrophobicContact CG2-CD1 4.17Å; T335-Y358 HydrophobicContact CG2-CD2 3.91Å; T335-Y358 HydrophobicContact CG2-CE1 3.94Å; T335-Y358 HydrophobicContact CG2-CE2 3.66Å; T335-Y358 HydrophobicContact CG2-CG 4.14Å | ||
| 336 | P | 66.9 | Low | 76.9 | Confident | 19 Ų | 19 | 32.6 Ų | 32.6 | 12% | 0.123 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -49.8 | -40.9 | 172.2 | -32.1 | 36.9 | 0 | 0 | 0 | 113.7 | F338 K339 Q340 Y358 A622 P624 | P336-F338 VanDerWaalsContact C-N 3.25Å; P336-F338 PolarHBondContact O-N 2.96Å; P336-K339 PolarHBondContact O-N 3.49Å; P336-Q340 PolarHBondContact O-N 3.05Å; P336-Y358 HydrophobicContact CG-CD1 4.25Å; P336-A622 WeakPolarHBondContact CB-O 3.28Å; P336-P624 HydrophobicContact CB-CG 4.25Å; P336-P624 HydrophobicContact CG-CG 4.19Å |
| 337 | L | 74.4 | Confident | 75.6 | Confident | 42 Ų | 42 | 34 Ų | 34 | 22% | 0.22 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.6 | -27.5 | 177.9 | -67.6 | 178.3 | 0 | 0 | 0 | 113.6 | F292 T335 Q340 F341 | F292-L337 HydrophobicContact CE1-CB 4.43Å; F292-L337 HydrophobicContact CZ-CB 4.39Å; T335-L337 PolarHBondContact O-N 3.46Å; L337-Q340 VanDerWaalsContact O-CG 3.31Å; L337-Q340 WeakPolarHBondContact O-CG 3.44Å; L337-Q340 PolarHBondContact O-NE2 3.5Å; L337-F341 WeakPolarHBondContact O-CD2 3.43Å; L337-F341 WeakPolarHBondContact O-CE2 3.44Å |
| 338 | F | 78.5 | Confident | 73.5 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 0% | 0.004 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -82.1 | -47.3 | 172.4 | 177 | -93.1 | 0 | 0 | 0 | 111.1 | L275 L283 F292 W294 L329 E334 T335 P336 Q340 F341 F342 W345 | L275-F338 HydrophobicContact CD1-CE1 3.93Å; L275-F338 HydrophobicContact CD1-CZ 4.01Å; L283-F338 HydrophobicContact CB-CE2 4.06Å; L283-F338 HydrophobicContact CD1-CD2 3.89Å; L283-F338 HydrophobicContact CD1-CE2 3.79Å; F292-F338 HydrophobicContact CB-CD2 3.72Å; F292-F338 HydrophobicContact CB-CE2 4.05Å; F292-F338 HydrophobicContact CD1-CB 4.12Å; F292-F338 AromaticContact CD1-CD2 3.96Å; F292-F338 HydrophobicContact CD1-CD2 3.96Å; F292-F338 HydrophobicContact CE1-CB 4.17Å; F292-F338 AromaticContact CG-CD2 3.84Å; F292-F338 HydrophobicContact CG-CD2 3.84Å; W294-F338 HydrophobicContact CB-CE2 4.21Å; W294-F338 HydrophobicContact CB-CZ 3.88Å; W294-F338 AromaticContact CD1-CE1 3.76Å; W294-F338 AromaticContact CD1-CZ 3.67Å; W294-F338 HydrophobicContact CG-CE1 4.47Å; W294-F338 AromaticContact CG-CZ 3.97Å; W294-F338 HydrophobicContact CG-CZ 3.97Å; L329-F338 HydrophobicContact CD1-CB 3.44Å; L329-F338 VanDerWaalsContact CD1-CB 3.44Å; L329-F338 HydrophobicContact CD1-CD1 4.09Å; L329-F338 HydrophobicContact CD1-CD2 3.5Å; L329-F338 VanDerWaalsContact CD1-CD2 3.5Å; L329-F338 HydrophobicContact CD1-CE2 4.21Å; L329-F338 HydrophobicContact CD1-CG 3.4Å; E334-F338 HydrophobicContact CB-CD1 3.76Å; E334-F338 HydrophobicContact CB-CE1 4.34Å; E334-F338 HydrophobicContact CG-CD1 3.81Å; E334-F338 HydrophobicContact CG-CE1 3.87Å; T335-F338 WeakPolarHBondContact O-CB 3.48Å; T335-F338 PolarHBondContact O-N 2.79Å; P336-F338 VanDerWaalsContact C-N 3.25Å; P336-F338 PolarHBondContact O-N 2.96Å; F338-Q340 PolarHBondContact O-N 2.74Å; F338-F341 PolarHBondContact O-N 3.44Å; F338-F342 HydrophobicContact CD1-CD2 4.47Å; F338-F342 AromaticContact CD1-CE2 3.9Å; F338-F342 HydrophobicContact CD1-CE2 3.9Å; F338-F342 HydrophobicContact CE1-CD2 4.27Å; F338-F342 AromaticContact CE1-CE2 3.42Å; F338-F342 HydrophobicContact CE1-CE2 3.42Å; F338-F342 VanDerWaalsContact CE1-CE2 3.42Å; F338-F342 AromaticContact CE1-CZ 3.87Å; F338-F342 HydrophobicContact CE1-CZ 3.87Å; F338-F342 HydrophobicContact CE2-CE2 4.15Å; F338-F342 HydrophobicContact CE2-CZ 4.47Å; F338-F342 HydrophobicContact CG-CE2 4.46Å; F338-F342 AromaticContact CZ-CE2 3.57Å; F338-F342 HydrophobicContact CZ-CE2 3.57Å; F338-F342 AromaticContact CZ-CZ 3.72Å; F338-F342 HydrophobicContact CZ-CZ 3.72Å; F338-F342 WeakPolarHBondContact O-CD2 3.24Å; F338-W345 HydrophobicContact CD1-CH2 4.4Å; F338-W345 HydrophobicContact CD1-CZ3 4.41Å; F338-W345 AromaticContact CE1-CH2 3.94Å; F338-W345 HydrophobicContact CE1-CH2 3.94Å; F338-W345 AromaticContact CE1-CZ3 3.96Å; F338-W345 HydrophobicContact CE1-CZ3 3.96Å |
| 339 | K | 74.6 | Confident | 71.2 | Confident | 21 Ų | 21 | 49.5 Ų | 49.5 | 9% | 0.091 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.4 | -31 | -177.3 | -66.3 | -179.4 | -180 | -174.8 | 0 | 112.6 | E334 T335 P336 F341 F342 W345 D347 | E334-K339 HydrophobicContact CB-CD 4.47Å; E334-K339 HydrophobicContact CB-CG 3.99Å; E334-K339 WeakPolarHBondContact O-CE 3.39Å; T335-K339 WeakPolarHBondContact O-CG 3.47Å; T335-K339 PolarHBondContact O-N 3.09Å; P336-K339 PolarHBondContact O-N 3.49Å; K339-F341 PolarHBondContact O-N 3.11Å; K339-F342 PolarHBondContact O-N 2.88Å; K339-W345 HydrophobicContact CB-CB 4.46Å; K339-W345 HydrophobicContact CB-CD2 4.15Å; K339-W345 HydrophobicContact CB-CE3 4.48Å; K339-W345 HydrophobicContact CB-CG 4.11Å; K339-W345 HydrophobicContact CD-CD2 4.23Å; K339-W345 HydrophobicContact CD-CG 4.08Å; K339-W345 HydrophobicContact CG-CD2 3.77Å; K339-W345 HydrophobicContact CG-CE3 4.28Å; K339-W345 HydrophobicContact CG-CG 3.99Å; K339-W345 HydrophobicContact CG-CZ2 4.22Å; K339-D347 VanDerWaalsContact NZ-CG 3.3Å; K339-D347 IonicContact NZ-OD1 2.89Å; K339-D347 PolarHBondContact NZ-OD1 2.85Å; K339-D347 IonicContact NZ-OD2 2.69Å; K339-D347 PolarHBondContact NZ-OD2 2.8Å |
| 340 | Q | 68.9 | Low | 69.5 | Low | 27 Ų | 27 | 51.8 Ų | 51.8 | 13% | 0.126 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -29 | -179.5 | 80.7 | -172.6 | -22.5 | 0 | 0 | 113.7 | P336 L337 F338 F342 P693 A694 | P336-Q340 PolarHBondContact O-N 3.05Å; L337-Q340 VanDerWaalsContact O-CG 3.31Å; L337-Q340 WeakPolarHBondContact O-CG 3.44Å; L337-Q340 PolarHBondContact O-NE2 3.5Å; F338-Q340 PolarHBondContact O-N 2.74Å; Q340-F342 PolarHBondContact O-N 2.81Å; Q340-P693 HydrophobicContact CG-CG 4.4Å; Q340-A694 HydrophobicContact CB-CB 3.94Å; Q340-A694 VanDerWaalsContact O-CA 3.31Å; Q340-A694 WeakPolarHBondContact O-CA 3.29Å |
| 341 | F | 76.6 | Confident | 67.2 | Low | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -5 | 178.8 | -67.4 | -81.2 | 0 | 0 | 0 | 113.4 | A247 N268 P269 F270 L283 H285 F292 L337 F338 K339 P693 | A247-F341 HydrophobicContact CB-CD1 3.65Å; A247-F341 HydrophobicContact CB-CE1 3.64Å; N268-F341 HydrophobicContact CB-CD1 4.41Å; P269-F341 CarbonylContact C-O 3.57Å; P269-F341 VanDerWaalsContact CA-O 3.25Å; P269-F341 WeakPolarHBondContact CA-O 3.47Å; F270-F341 HydrophobicContact CD2-CB 3.97Å; F270-F341 WeakPolarHBondContact CD2-O 3.37Å; F270-F341 HydrophobicContact CE2-CB 3.98Å; F270-F341 PolarHBondContact N-O 2.62Å; L283-F341 HydrophobicContact CD1-CB 3.75Å; L283-F341 HydrophobicContact CD1-CD2 3.67Å; L283-F341 HydrophobicContact CD1-CE2 4.46Å; L283-F341 HydrophobicContact CD1-CG 3.8Å; L283-F341 HydrophobicContact CD2-CD1 4.33Å; L283-F341 HydrophobicContact CD2-CD2 4.05Å; L283-F341 HydrophobicContact CD2-CE1 4.39Å; L283-F341 HydrophobicContact CD2-CE2 4.13Å; L283-F341 HydrophobicContact CD2-CG 4.16Å; L283-F341 HydrophobicContact CD2-CZ 4.3Å; H285-F341 HydrophobicContact CB-CZ 4.32Å; H285-F341 AromaticContact CE1-CZ 3.78Å; H285-F341 AromaticContact CG-CZ 3.82Å; H285-F341 AromaticContact ND1-CZ 3.5Å; F292-F341 AromaticContact CE2-CE2 3.84Å; F292-F341 HydrophobicContact CE2-CE2 3.84Å; F292-F341 HydrophobicContact CZ-CE2 4.21Å; L337-F341 WeakPolarHBondContact O-CD2 3.43Å; L337-F341 WeakPolarHBondContact O-CE2 3.44Å; F338-F341 PolarHBondContact O-N 3.44Å; K339-F341 PolarHBondContact O-N 3.11Å; F341-P693 HydrophobicContact CD1-CB 3.98Å; F341-P693 HydrophobicContact CE1-CB 3.44Å; F341-P693 VanDerWaalsContact CE1-CB 3.44Å; F341-P693 HydrophobicContact CE1-CG 4.24Å; F341-P693 HydrophobicContact CZ-CB 3.98Å; F341-P693 HydrophobicContact CZ-CG 4.3Å |
| 342 | F | 76.2 | Confident | 64.8 | Low | 11 Ų | 11 | 63.8 Ų | 63.8 | 5% | 0.048 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 141.4 | -176 | -65.1 | -97.8 | 0 | 0 | 0 | 111.6 | L249 F270 L275 L283 F338 K339 Q340 N344 W345 | L249-F342 HydrophobicContact CD2-CE1 4.39Å; F270-F342 HydrophobicContact CB-CD1 3.63Å; F270-F342 HydrophobicContact CB-CE1 3.72Å; F270-F342 HydrophobicContact CB-CG 4.3Å; F270-F342 HydrophobicContact CB-CZ 4.45Å; F270-F342 HydrophobicContact CD2-CE1 4.27Å; F270-F342 HydrophobicContact CD2-CE2 4.4Å; F270-F342 HydrophobicContact CD2-CZ 4.17Å; F270-F342 HydrophobicContact CG-CE1 4.46Å; F270-F342 CarbonylContact O-C 3.51Å; F270-F342 VanDerWaalsContact O-CA 3.28Å; F270-F342 WeakPolarHBondContact O-CA 3.45Å; L275-F342 HydrophobicContact CD1-CE1 3.75Å; L275-F342 HydrophobicContact CD1-CE2 4.46Å; L275-F342 HydrophobicContact CD1-CZ 3.67Å; L275-F342 HydrophobicContact CD2-CE1 4.41Å; L275-F342 HydrophobicContact CD2-CZ 4.23Å; L275-F342 HydrophobicContact CG-CE1 3.89Å; L275-F342 HydrophobicContact CG-CZ 4.06Å; L283-F342 HydrophobicContact CD1-CE2 3.96Å; L283-F342 HydrophobicContact CD1-CZ 4.43Å; F338-F342 HydrophobicContact CD1-CD2 4.47Å; F338-F342 AromaticContact CD1-CE2 3.9Å; F338-F342 HydrophobicContact CD1-CE2 3.9Å; F338-F342 HydrophobicContact CE1-CD2 4.27Å; F338-F342 AromaticContact CE1-CE2 3.42Å; F338-F342 HydrophobicContact CE1-CE2 3.42Å; F338-F342 VanDerWaalsContact CE1-CE2 3.42Å; F338-F342 AromaticContact CE1-CZ 3.87Å; F338-F342 HydrophobicContact CE1-CZ 3.87Å; F338-F342 HydrophobicContact CE2-CE2 4.15Å; F338-F342 HydrophobicContact CE2-CZ 4.47Å; F338-F342 HydrophobicContact CG-CE2 4.46Å; F338-F342 AromaticContact CZ-CE2 3.57Å; F338-F342 HydrophobicContact CZ-CE2 3.57Å; F338-F342 AromaticContact CZ-CZ 3.72Å; F338-F342 HydrophobicContact CZ-CZ 3.72Å; F338-F342 WeakPolarHBondContact O-CD2 3.24Å; K339-F342 PolarHBondContact O-N 2.88Å; Q340-F342 PolarHBondContact O-N 2.81Å; F342-N344 PolarHBondContact O-N 2.79Å; F342-W345 HydrophobicContact CB-CE3 3.7Å; F342-W345 HydrophobicContact CB-CZ3 4.34Å; F342-W345 HydrophobicContact CD1-CE3 4.24Å; F342-W345 HydrophobicContact CD1-CZ3 4.07Å; F342-W345 AromaticContact CD2-CE3 3.86Å; F342-W345 HydrophobicContact CD2-CE3 3.86Å; F342-W345 AromaticContact CD2-CZ3 3.77Å; F342-W345 HydrophobicContact CD2-CZ3 3.77Å; F342-W345 HydrophobicContact CE1-CZ3 4.34Å; F342-W345 HydrophobicContact CE2-CZ3 4.06Å; F342-W345 AromaticContact CG-CE3 3.67Å; F342-W345 HydrophobicContact CG-CE3 3.67Å; F342-W345 AromaticContact CG-CZ3 3.8Å; F342-W345 HydrophobicContact CG-CZ3 3.8Å; F342-W345 HydrophobicContact CZ-CZ3 4.34Å |
| 343 | K | 69.9 | Low | 62.9 | Low | 137 Ų | 137 | 63 Ų | 63 | 60% | 0.596 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 123.7 | 177.1 | -170.7 | 176.8 | -179.2 | 178.8 | 0 | 110 | P269 F270 W345 | P269-K343 HydrophobicContact CB-CB 4.06Å; P269-K343 HydrophobicContact CG-CB 4.3Å; F270-K343 PolarHBondContact O-N 2.66Å; K343-W345 PolarHBondContact O-N 2.92Å |
| 344 | N | 60.8 | Low | 60.8 | Low | 105 Ų | 105 | 68.6 Ų | 68.6 | 56% | 0.561 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 44.5 | 171.3 | -56.7 | -34.6 | 0 | 0 | 0 | 114 | F342 R346 | F342-N344 PolarHBondContact O-N 2.79Å; N344-R346 PolarHBondContact O-N 3.3Å |
| 345 | W | 65.9 | Low | 59 | Low | 32 Ų | 32 | 69.3 Ų | 69.3 | 12% | 0.121 | 36% | 0.356 | C | S | . | . | trans | -51.5 | 135.7 | 178.6 | -173.8 | -79 | 0 | 0 | 0 | 112.1 | Q272 L275 E334 F338 K339 F342 K343 D347 | Q272-W345 HydrophobicContact CB-CE3 4.36Å; Q272-W345 HydrophobicContact CG-CD2 4.26Å; Q272-W345 HydrophobicContact CG-CE3 3.88Å; Q272-W345 HydrophobicContact CG-CH2 4.35Å; Q272-W345 HydrophobicContact CG-CZ3 3.95Å; L275-W345 HydrophobicContact CD1-CH2 3.76Å; L275-W345 HydrophobicContact CD1-CZ3 3.74Å; E334-W345 HydrophobicContact CB-CH2 4.41Å; E334-W345 HydrophobicContact CB-CZ2 4.16Å; E334-W345 VanDerWaalsContact CD-CZ2 3.48Å; E334-W345 HydrophobicContact CG-CH2 3.79Å; E334-W345 HydrophobicContact CG-CZ2 3.78Å; F338-W345 HydrophobicContact CD1-CH2 4.4Å; F338-W345 HydrophobicContact CD1-CZ3 4.41Å; F338-W345 AromaticContact CE1-CH2 3.94Å; F338-W345 HydrophobicContact CE1-CH2 3.94Å; F338-W345 AromaticContact CE1-CZ3 3.96Å; F338-W345 HydrophobicContact CE1-CZ3 3.96Å; K339-W345 HydrophobicContact CB-CB 4.46Å; K339-W345 HydrophobicContact CB-CD2 4.15Å; K339-W345 HydrophobicContact CB-CE3 4.48Å; K339-W345 HydrophobicContact CB-CG 4.11Å; K339-W345 HydrophobicContact CD-CD2 4.23Å; K339-W345 HydrophobicContact CD-CG 4.08Å; K339-W345 HydrophobicContact CG-CD2 3.77Å; K339-W345 HydrophobicContact CG-CE3 4.28Å; K339-W345 HydrophobicContact CG-CG 3.99Å; K339-W345 HydrophobicContact CG-CZ2 4.22Å; F342-W345 HydrophobicContact CB-CE3 3.7Å; F342-W345 HydrophobicContact CB-CZ3 4.34Å; F342-W345 HydrophobicContact CD1-CE3 4.24Å; F342-W345 HydrophobicContact CD1-CZ3 4.07Å; F342-W345 AromaticContact CD2-CE3 3.86Å; F342-W345 HydrophobicContact CD2-CE3 3.86Å; F342-W345 AromaticContact CD2-CZ3 3.77Å; F342-W345 HydrophobicContact CD2-CZ3 3.77Å; F342-W345 HydrophobicContact CE1-CZ3 4.34Å; F342-W345 HydrophobicContact CE2-CZ3 4.06Å; F342-W345 AromaticContact CG-CE3 3.67Å; F342-W345 HydrophobicContact CG-CE3 3.67Å; F342-W345 AromaticContact CG-CZ3 3.8Å; F342-W345 HydrophobicContact CG-CZ3 3.8Å; F342-W345 HydrophobicContact CZ-CZ3 4.34Å; K343-W345 PolarHBondContact O-N 2.92Å; W345-D347 PolarHBondContact NE1-OD1 2.87Å | ||
| 346 | R | 62.9 | Low | 58 | Low | 138 Ų | 138 | 69.7 Ų | 69.7 | 52% | 0.521 | 36% | 0.359 | S | S | . | . | trans | -130.3 | 134.1 | 173.7 | -57.8 | -170.9 | -167.2 | 174.7 | 13 | 110.9 | Q272 N344 | Q272-R346 PolarHBondContact NE2-O 2.94Å; Q272-R346 PolarHBondContact OE1-O 3.38Å; N344-R346 PolarHBondContact O-N 3.3Å | ||
| 347 | D | 63.1 | Low | 57.5 | Low | 33 Ų | 33 | 70.4 Ų | 70.4 | 18% | 0.176 | 37% | 0.366 | C | S | . | . | trans | -84.2 | 119.6 | 170 | -66.3 | -34.7 | 0 | 0 | 0 | 108.5 | K339 W345 D349 Q350 | K339-D347 VanDerWaalsContact NZ-CG 3.3Å; K339-D347 IonicContact NZ-OD1 2.89Å; K339-D347 PolarHBondContact NZ-OD1 2.85Å; K339-D347 IonicContact NZ-OD2 2.69Å; K339-D347 PolarHBondContact NZ-OD2 2.8Å; W345-D347 PolarHBondContact NE1-OD1 2.87Å; D347-D349 PolarHBondContact O-N 2.83Å; D347-Q350 HydrophobicContact CB-CB 4.05Å; D347-Q350 VanDerWaalsContact CB-CD 3.48Å; D347-Q350 HydrophobicContact CB-CG 4.17Å; D347-Q350 VanDerWaalsContact CG-NE2 3.3Å; D347-Q350 PolarHBondContact O-N 2.92Å; D347-Q350 PolarHBondContact OD2-NE2 3.17Å; D347-Q350 PolarHBondContact OD2-OE1 2.83Å | ||
| 348 | K | 46.9 | Very low | 56.9 | Low | 184 Ų | 184 | 69 Ų | 69 | 80% | 0.8 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 122.6 | 176.2 | -160.4 | 173 | -179.7 | 177.5 | 0 | 106.7 | ||
| 349 | D | 42.2 | Very low | 56.1 | Low | 143 Ų | 143 | 69.2 Ų | 69.2 | 77% | 0.765 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.6 | 6.3 | 178.8 | -42.1 | -39.4 | 0 | 0 | 0 | 118.1 | D347 T351 | D347-D349 PolarHBondContact O-N 2.83Å; D349-T351 VanDerWaalsContact C-N 3.29Å; D349-T351 PolarHBondContact O-N 2.92Å |
| 350 | Q | 50.1 | Low | 55.2 | Low | 48 Ų | 48 | 68.9 Ų | 68.9 | 22% | 0.224 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | 4.3 | -179 | -121.6 | 174.1 | 47.9 | 0 | 0 | 115.9 | D347 E352 V356 | D347-Q350 HydrophobicContact CB-CB 4.05Å; D347-Q350 VanDerWaalsContact CB-CD 3.48Å; D347-Q350 HydrophobicContact CB-CG 4.17Å; D347-Q350 VanDerWaalsContact CG-NE2 3.3Å; D347-Q350 PolarHBondContact O-N 2.92Å; D347-Q350 PolarHBondContact OD2-NE2 3.17Å; D347-Q350 PolarHBondContact OD2-OE1 2.83Å; Q350-E352 PolarHBondContact O-N 2.94Å; Q350-V356 VanDerWaalsContact NE2-CA 3.29Å |
| 351 | T | 38.9 | Very low | 55.1 | Low | 113 Ų | 113 | 69.3 Ų | 69.3 | 69% | 0.693 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -13.3 | -179.8 | 32.1 | 0 | 0 | 0 | 0 | 114.1 | D349 | D349-T351 VanDerWaalsContact C-N 3.29Å; D349-T351 PolarHBondContact O-N 2.92Å |
| 352 | E | 35.5 | Very low | 54.2 | Low | 188 Ų | 188 | 70.7 Ų | 70.7 | 88% | 0.879 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -131.4 | 86.7 | 176.8 | -65.7 | -167.4 | 168.8 | 0 | 0 | 111.7 | Q350 | Q350-E352 PolarHBondContact O-N 2.94Š|
| 353 | G | 35.7 | Very low | 53.5 | Low | 61 Ų | 61 | 70.2 Ų | 70.2 | 63% | 0.629 | 37% | 0.371 | S | S | * | . | S | Bend | trans | 160.2 | 160.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 354 | L | 33.8 | Very low | 52.8 | Low | 128 Ų | 128 | 65.6 Ų | 65.6 | 67% | 0.67 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -87.4 | 101.3 | 173.1 | -76.2 | 164 | 0 | 0 | 0 | 110.3 | R53 | R53-L354 WeakPolarHBondContact CB-O 3.36Š|
| 355 | G | 45.4 | Very low | 53 | Low | 21 Ų | 21 | 67.6 Ų | 67.6 | 22% | 0.216 | 36% | 0.362 | C | S | . | . | S | Bend | trans | 125.7 | 157 | 164.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 356 | V | 51.4 | Low | 53 | Low | 12 Ų | 12 | 68 Ų | 68 | 7% | 0.073 | 37% | 0.366 | C | S | . | . | trans | -90.7 | 163.6 | 172.8 | -52.1 | 0 | 0 | 0 | 0 | 112 | Q350 Y358 D621 | Q350-V356 VanDerWaalsContact NE2-CA 3.29Å; V356-Y358 WeakPolarHBondContact CG2-O 3.43Å; V356-Y358 PolarHBondContact O-N 2.81Å; V356-D621 HydrophobicContact CB-CB 4.11Å; V356-D621 HydrophobicContact CG1-CB 3.65Å; V356-D621 HydrophobicContact CG2-CB 3.55Å | ||
| 357 | A | 56.1 | Low | 53.6 | Low | 34 Ų | 34 | 69.1 Ų | 69.1 | 28% | 0.281 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -62.2 | -13.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q52 S332 | Q52-A357 PolarHBondContact NE2-O 2.63Å; S332-A357 WeakPolarHBondContact O-CB 3.48Å |
| 358 | Y | 61.9 | Low | 54 | Low | 12 Ų | 12 | 69.7 Ų | 69.7 | 5% | 0.047 | 38% | 0.378 | C | S | . | . | trans | -138.8 | 130.9 | 176.3 | 174.4 | -87.7 | 0 | 0 | 0 | 111.6 | Q58 I93 T335 P336 V356 A360 | Q58-Y358 HydrophobicContact CG-CD2 4.19Å; Q58-Y358 VanDerWaalsContact OE1-CA 3.23Å; I93-Y358 HydrophobicContact CD1-CD2 3.23Å; I93-Y358 HydrophobicContact CD1-CE2 3.28Å; I93-Y358 HydrophobicContact CD1-CG 4.37Å; T335-Y358 HydrophobicContact CG2-CD1 4.17Å; T335-Y358 HydrophobicContact CG2-CD2 3.91Å; T335-Y358 HydrophobicContact CG2-CE1 3.94Å; T335-Y358 HydrophobicContact CG2-CE2 3.66Å; T335-Y358 HydrophobicContact CG2-CG 4.14Å; P336-Y358 HydrophobicContact CG-CD1 4.25Å; V356-Y358 WeakPolarHBondContact CG2-O 3.43Å; V356-Y358 PolarHBondContact O-N 2.81Å; Y358-A360 HydrophobicContact CE1-CB 4.07Å | ||
| 359 | I | 61.3 | Low | 55.6 | Low | 5 Ų | 5 | 62.8 Ų | 62.8 | 3% | 0.026 | 35% | 0.352 | C | S | . | . | trans | -111.3 | 128 | 171.9 | -57.9 | -178.5 | 0 | 0 | 0 | 108.6 | Q52 R53 Q58 I363 A364 | Q52-I359 HydrophobicContact CB-CD1 4.35Å; R53-I359 HydrophobicContact CG-CD1 4.01Å; Q58-I359 PolarHBondContact NE2-O 2.88Å; I359-I363 HydrophobicContact CG2-CG1 4.18Å; I359-A364 HydrophobicContact CG2-CB 4.21Å | ||
| 360 | A | 56.1 | Low | 57.4 | Low | 14 Ų | 14 | 59.9 Ų | 59.9 | 12% | 0.116 | 35% | 0.348 | C | S | . | . | trans | -67.4 | 136.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y358 S362 I363 A364 P624 | Y358-A360 HydrophobicContact CE1-CB 4.07Å; A360-S362 PolarHBondContact O-N 2.87Å; A360-I363 HydrophobicContact CB-CG1 4.21Å; A360-I363 WeakPolarHBondContact O-CG1 3.27Å; A360-I363 PolarHBondContact O-N 3.32Å; A360-A364 PolarHBondContact O-N 3.18Å; A360-P624 HydrophobicContact CB-CB 4.33Å; A360-P624 HydrophobicContact CB-CG 4.21Å | ||
| 361 | N | 65.6 | Low | 58.9 | Low | 36 Ų | 36 | 59.8 Ų | 59.8 | 19% | 0.193 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -55.5 | -37.6 | -176.8 | -168.6 | 59.9 | 0 | 0 | 0 | 113.1 | N48 I50 Y109 I363 A364 | N48-N361 PolarHBondContact ND2-OD1 2.87Å; I50-N361 HydrophobicContact CD1-CB 3.85Å; Y109-N361 HydrophobicContact CE1-CB 4.23Å; N361-I363 PolarHBondContact O-N 2.82Å; N361-A364 PolarHBondContact O-N 3.14Å |
| 362 | S | 57.8 | Low | 61.1 | Low | 30 Ų | 30 | 57.9 Ų | 57.9 | 21% | 0.21 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -61.1 | -23.6 | 179.9 | 53.6 | 0 | 0 | 0 | 0 | 114.4 | A360 G644 | A360-S362 PolarHBondContact O-N 2.87Å; S362-G644 VanDerWaalsContact CB-O 3.3Å; S362-G644 WeakPolarHBondContact CB-O 3.49Å |
| 363 | I | 62.3 | Low | 63.3 | Low | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -114.3 | 0.4 | 179.3 | 65.2 | 162.3 | 0 | 0 | 0 | 113.5 | I359 A360 N361 K365 I366 M620 P624 | I359-I363 HydrophobicContact CG2-CG1 4.18Å; A360-I363 HydrophobicContact CB-CG1 4.21Å; A360-I363 WeakPolarHBondContact O-CG1 3.27Å; A360-I363 PolarHBondContact O-N 3.32Å; N361-I363 PolarHBondContact O-N 2.82Å; I363-K365 PolarHBondContact O-N 3.17Å; I363-K365 VanDerWaalsContact O-N 3.15Å; I363-I366 HydrophobicContact CB-CD1 3.91Å; I363-I366 HydrophobicContact CB-CG1 4.38Å; I363-I366 HydrophobicContact CG2-CD1 3.76Å; I363-I366 WeakPolarHBondContact O-CB 3.18Å; I363-I366 PolarHBondContact O-N 3.26Å; I363-M620 HydrophobicContact CD1-CG 4.36Å; I363-P624 HydrophobicContact CD1-CB 3.78Å; I363-P624 HydrophobicContact CG1-CB 4.33Å; I363-P624 HydrophobicContact CG2-CB 4.28Å |
| 364 | A | 55.5 | Low | 65.6 | Low | 39 Ų | 39 | 51.9 Ų | 51.9 | 32% | 0.322 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -26.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113 | I50 I359 A360 N361 | I50-A364 HydrophobicContact CG2-CB 3.83Å; I359-A364 HydrophobicContact CG2-CB 4.21Å; A360-A364 PolarHBondContact O-N 3.18Å; N361-A364 PolarHBondContact O-N 3.14Å |
| 365 | K | 65.6 | Low | 68.1 | Low | 148 Ų | 148 | 47.5 Ų | 47.5 | 64% | 0.643 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -5.9 | 176.7 | -59.9 | -175.7 | -168.6 | 151.4 | 0 | 114.1 | I363 E367 E645 | I363-K365 PolarHBondContact O-N 3.17Å; I363-K365 VanDerWaalsContact O-N 3.15Å; K365-E367 PolarHBondContact O-N 3.5Å; K365-E645 WeakPolarHBondContact CD-OE1 3.32Å; K365-E645 WeakPolarHBondContact CE-OE1 3.46Å; K365-E645 IonicContact NZ-OE1 3.4Å; K365-E645 PolarHBondContact NZ-OE1 3.11Å; K365-E645 IonicContact NZ-OE2 2.88Å |
| 366 | I | 65.6 | Low | 69.9 | Low | 40 Ų | 40 | 46.5 Ų | 46.5 | 21% | 0.205 | 28% | 0.279 | C | S | . | . | trans | -78.9 | 113.7 | -179.5 | -58.4 | 179.3 | 0 | 0 | 0 | 109.3 | R53 I363 M620 | R53-I366 PolarHBondContact NH2-O 3.02Å; I363-I366 HydrophobicContact CB-CD1 3.91Å; I363-I366 HydrophobicContact CB-CG1 4.38Å; I363-I366 HydrophobicContact CG2-CD1 3.76Å; I363-I366 WeakPolarHBondContact O-CB 3.18Å; I363-I366 PolarHBondContact O-N 3.26Å; I366-M620 HydrophobicContact CG2-CE 4.47Å | ||
| 367 | E | 75.3 | Confident | 71.5 | Confident | 161 Ų | 161 | 50.3 Ų | 50.3 | 75% | 0.752 | 30% | 0.295 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 131.7 | 173.5 | -171.6 | 171.4 | -170.5 | 0 | 0 | 110.2 | K365 V369 Q385 | K365-E367 PolarHBondContact O-N 3.5Å; E367-V369 PolarHBondContact O-N 3.4Å; E367-Q385 PolarHBondContact O-NE2 3.43Å |
| 368 | K | 71.4 | Confident | 72.8 | Confident | 45 Ų | 45 | 55.9 Ų | 55.9 | 20% | 0.196 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -78.7 | 120.4 | 173 | -87.7 | 178.5 | -162.9 | -175.3 | 0 | 108.3 | R53 D618 M620 D621 | R53-K368 VanDerWaalsContact CZ-CE 3.47Å; R53-K368 VanDerWaalsContact NH1-CB 3.27Å; K368-D618 IonicContact NZ-OD1 3.27Å; K368-D618 PolarHBondContact NZ-OD1 2.86Å; K368-D618 IonicContact NZ-OD2 3.99Å; K368-D618 PolarHBondContact NZ-OD2 2.79Å; K368-M620 HydrophobicContact CD-CE 4.46Å; K368-M620 HydrophobicContact CG-CE 3.75Å; K368-D621 WeakPolarHBondContact CE-OD2 3.39Å; K368-D621 IonicContact NZ-OD1 3.66Å; K368-D621 IonicContact NZ-OD2 2.74Å; K368-D621 PolarHBondContact NZ-OD2 3.31Å |
| 369 | V | 79.1 | Confident | 73.9 | Confident | 40 Ų | 40 | 56.7 Ų | 56.7 | 24% | 0.242 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -98.9 | 126.8 | 176.9 | -174.4 | 0 | 0 | 0 | 0 | 107.3 | E367 A381 M382 H386 | E367-V369 PolarHBondContact O-N 3.4Å; V369-A381 HydrophobicContact CG2-CB 4.31Å; V369-M382 HydrophobicContact CG1-CB 3.99Å; V369-M382 HydrophobicContact CG1-CE 3.76Å; V369-M382 HydrophobicContact CG1-CG 4.15Å; V369-H386 PolarHBondContact O-NE2 3.44Å |
| 370 | A | 81.3 | Confident | 74.8 | Confident | 82 Ų | 82 | 58.4 Ų | 58.4 | 68% | 0.678 | 34% | 0.335 | S | S | * | . | P | Polyproline II helix | trans | -71.8 | 147.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | D372 M382 | A370-D372 PolarHBondContact O-N 3.34Å; A370-M382 WeakPolarHBondContact O-CE 3.42Å |
| 371 | F | 81.1 | Confident | 75.8 | Confident | 45 Ų | 45 | 59.4 Ų | 59.4 | 20% | 0.197 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 127.4 | 178.1 | -174.9 | -96.8 | 0 | 0 | 0 | 111 | A373 L376 M382 H386 M388 A531 | F371-A373 HydrophobicContact CE1-CB 3.97Å; F371-A373 HydrophobicContact CZ-CB 4.16Å; F371-L376 HydrophobicContact CE2-CD1 4.37Å; F371-L376 HydrophobicContact CE2-CD2 4Å; F371-L376 HydrophobicContact CZ-CD2 4.3Å; F371-M382 HydrophobicContact CD2-CG 4.48Å; F371-M382 HydrophobicContact CD2-SD 4.41Å; F371-H386 HydrophobicContact CD2-CB 3.9Å; F371-H386 AromaticContact CD2-CD2 3.89Å; F371-H386 AromaticContact CD2-CG 3.8Å; F371-H386 PolarHBondContact N-NE2 3.4Å; F371-M388 HydrophobicContact CE2-CB 4.11Å; F371-M388 HydrophobicContact CE2-CG 3.84Å; F371-M388 HydrophobicContact CZ-CE 4.37Å; F371-A531 HydrophobicContact CD1-CB 3.93Å; F371-A531 HydrophobicContact CD2-CB 4.18Å; F371-A531 HydrophobicContact CE1-CB 3.46Å; F371-A531 VanDerWaalsContact CE1-CB 3.46Å; F371-A531 HydrophobicContact CE2-CB 3.76Å; F371-A531 HydrophobicContact CG-CB 4.26Å; F371-A531 HydrophobicContact CZ-CB 3.37Å |
| 372 | D | 84.6 | Confident | 76.7 | Confident | 73 Ų | 73 | 58 Ų | 58 | 39% | 0.39 | 34% | 0.336 | S | S | . | . | trans | -140.4 | 109.9 | 169.2 | 169.4 | 33.4 | 0 | 0 | 0 | 109.3 | A370 A374 S375 L376 M382 | A370-D372 PolarHBondContact O-N 3.34Å; D372-A374 PolarHBondContact O-N 2.94Å; D372-A374 WeakPolarHBondContact OD1-CB 3.46Å; D372-A374 PolarHBondContact OD1-N 3Å; D372-A374 VanDerWaalsContact OD1-N 3.12Å; D372-S375 PolarHBondContact O-N 3.11Å; D372-S375 WeakPolarHBondContact OD2-CB 3.37Å; D372-S375 PolarHBondContact OD2-N 3.43Å; D372-S375 PolarHBondContact OD2-OG 2.93Å; D372-L376 PolarHBondContact O-N 2.96Å; D372-M382 HydrophobicContact CB-CE 4.05Å; D372-M382 HydrophobicContact CB-SD 4.47Å; D372-M382 PolarHBondContact N-SD 2.87Å | ||
| 373 | A | 82 | Confident | 78 | Confident | 49 Ų | 49 | 56.5 Ų | 56.5 | 41% | 0.405 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -30.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | F371 S375 | F371-A373 HydrophobicContact CE1-CB 3.97Å; F371-A373 HydrophobicContact CZ-CB 4.16Å; A373-S375 PolarHBondContact O-N 3.09Å |
| 374 | A | 83.9 | Confident | 78.8 | Confident | 74 Ų | 74 | 56.7 Ų | 56.7 | 61% | 0.612 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -37.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D372 H377 | D372-A374 PolarHBondContact O-N 2.94Å; D372-A374 WeakPolarHBondContact OD1-CB 3.46Å; D372-A374 PolarHBondContact OD1-N 3Å; D372-A374 VanDerWaalsContact OD1-N 3.12Å; A374-H377 PolarHBondContact O-CE1 3.17Å; A374-H377 PolarHBondContact O-ND1 2.9Å; A374-H377 VanDerWaalsContact O-ND1 3.1Å |
| 375 | S | 86.4 | Confident | 79.9 | Confident | 36 Ų | 36 | 56.6 Ų | 56.6 | 25% | 0.252 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | -1.8 | -179.4 | 57.6 | 0 | 0 | 0 | 0 | 114.2 | D372 A373 H377 E378 M382 | D372-S375 PolarHBondContact O-N 3.11Å; D372-S375 WeakPolarHBondContact OD2-CB 3.37Å; D372-S375 PolarHBondContact OD2-N 3.43Å; D372-S375 PolarHBondContact OD2-OG 2.93Å; A373-S375 PolarHBondContact O-N 3.09Å; S375-H377 VanDerWaalsContact C-N 3.28Å; S375-H377 PolarHBondContact O-N 3.47Å; S375-E378 PolarHBondContact O-N 3.42Å; S375-M382 WeakPolarHBondContact OG-CE 3.17Å |
| 376 | L | 84.1 | Confident | 80.7 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -51.6 | -44.7 | -178.9 | 177.1 | 62.5 | 0 | 0 | 0 | 112.8 | F371 D372 E378 S379 M382 A383 M388 D390 H431 | F371-L376 HydrophobicContact CE2-CD1 4.37Å; F371-L376 HydrophobicContact CE2-CD2 4Å; F371-L376 HydrophobicContact CZ-CD2 4.3Å; D372-L376 PolarHBondContact O-N 2.96Å; L376-E378 PolarHBondContact O-N 3.19Å; L376-E378 VanDerWaalsContact O-N 3.07Å; L376-S379 PolarHBondContact O-N 3.24Å; L376-S379 VanDerWaalsContact O-N 3.08Å; L376-M382 HydrophobicContact CB-SD 4.01Å; L376-M382 HydrophobicContact CD1-CB 4.12Å; L376-M382 HydrophobicContact CD1-CG 3.92Å; L376-M382 HydrophobicContact CD1-SD 3.86Å; L376-A383 HydrophobicContact CD1-CB 4.16Å; L376-M388 HydrophobicContact CD1-CB 4.4Å; L376-M388 HydrophobicContact CD2-CB 3.93Å; L376-D390 VanDerWaalsContact CD2-O 3.25Å; L376-D390 WeakPolarHBondContact CD2-O 3.48Å; L376-H431 PolarHBondContact O-CE1 3.26Å |
| 377 | H | 83.5 | Confident | 81.5 | Confident | 91 Ų | 91 | 49.6 Ų | 49.6 | 42% | 0.421 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -65.6 | -9.9 | -176.9 | 68.3 | -80.2 | 0 | 0 | 0 | 114.7 | A374 S375 G432 | A374-H377 PolarHBondContact O-CE1 3.17Å; A374-H377 PolarHBondContact O-ND1 2.9Å; A374-H377 VanDerWaalsContact O-ND1 3.1Å; S375-H377 VanDerWaalsContact C-N 3.28Å; S375-H377 PolarHBondContact O-N 3.47Å; H377-G432 PolarHBondContact O-N 2.96Å |
| 378 | E | 84.7 | Confident | 82 | Confident | 151 Ų | 151 | 41.9 Ų | 41.9 | 71% | 0.706 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -104.7 | -8.1 | 178.2 | -54.8 | -176.4 | 159.9 | 0 | 0 | 112.4 | S375 L376 | S375-E378 PolarHBondContact O-N 3.42Å; L376-E378 PolarHBondContact O-N 3.19Å; L376-E378 VanDerWaalsContact O-N 3.07Å |
| 379 | S | 85.4 | Confident | 82.7 | Confident | 30 Ų | 30 | 39.9 Ų | 39.9 | 21% | 0.21 | 25% | 0.247 | C | C | . | . | trans | -129.4 | 99.2 | -170.6 | -177.3 | 0 | 0 | 0 | 0 | 113.2 | L376 A381 M382 A383 | L376-S379 PolarHBondContact O-N 3.24Å; L376-S379 VanDerWaalsContact O-N 3.08Å; S379-A381 PolarHBondContact O-N 2.91Å; S379-M382 PolarHBondContact O-N 3.07Å; S379-M382 WeakPolarHBondContact OG-CB 3.46Å; S379-M382 PolarHBondContact OG-N 3.35Å; S379-A383 PolarHBondContact O-N 2.91Å | ||
| 380 | S | 79.3 | Confident | 83.1 | Confident | 40 Ų | 40 | 38.5 Ų | 38.5 | 28% | 0.28 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.2 | -34.2 | 171.5 | -52.6 | 0 | 0 | 0 | 0 | 112.1 | A383 A384 G716 | S380-A383 WeakPolarHBondContact O-CB 3.2Å; S380-A383 PolarHBondContact O-N 3.22Å; S380-A384 WeakPolarHBondContact O-CB 3.36Å; S380-A384 PolarHBondContact O-N 2.96Å; S380-G716 WeakPolarHBondContact O-CA 3.39Å |
| 381 | A | 77.2 | Confident | 83.5 | Confident | 36 Ų | 36 | 38.1 Ų | 38.1 | 30% | 0.298 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63 | -42.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | V369 S379 A384 Q385 | V369-A381 HydrophobicContact CG2-CB 4.31Å; S379-A381 PolarHBondContact O-N 2.91Å; A381-A384 PolarHBondContact O-N 3.5Å; A381-Q385 WeakPolarHBondContact O-CG 3.37Å; A381-Q385 PolarHBondContact O-N 3.38Å |
| 382 | M | 84.5 | Confident | 83.9 | Confident | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.025 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.5 | -43.1 | 174.2 | -168.3 | -171.2 | -63.9 | 0 | 0 | 110.9 | V369 A370 F371 D372 S375 L376 S379 A384 Q385 H386 | V369-M382 HydrophobicContact CG1-CB 3.99Å; V369-M382 HydrophobicContact CG1-CE 3.76Å; V369-M382 HydrophobicContact CG1-CG 4.15Å; A370-M382 WeakPolarHBondContact O-CE 3.42Å; F371-M382 HydrophobicContact CD2-CG 4.48Å; F371-M382 HydrophobicContact CD2-SD 4.41Å; D372-M382 HydrophobicContact CB-CE 4.05Å; D372-M382 HydrophobicContact CB-SD 4.47Å; D372-M382 PolarHBondContact N-SD 2.87Å; S375-M382 WeakPolarHBondContact OG-CE 3.17Å; L376-M382 HydrophobicContact CB-SD 4.01Å; L376-M382 HydrophobicContact CD1-CB 4.12Å; L376-M382 HydrophobicContact CD1-CG 3.92Å; L376-M382 HydrophobicContact CD1-SD 3.86Å; S379-M382 PolarHBondContact O-N 3.07Å; S379-M382 WeakPolarHBondContact OG-CB 3.46Å; S379-M382 PolarHBondContact OG-N 3.35Å; M382-A384 PolarHBondContact O-N 3.39Å; M382-Q385 PolarHBondContact O-N 2.92Å; M382-H386 WeakPolarHBondContact O-CB 3.48Å; M382-H386 PolarHBondContact O-CD2 3.3Å; M382-H386 PolarHBondContact O-N 2.84Å; M382-H386 VanDerWaalsContact O-N 3.16Å |
| 383 | A | 84.1 | Confident | 84.2 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.1 | -47.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | L376 S379 S380 G387 M388 P712 T713 | L376-A383 HydrophobicContact CD1-CB 4.16Å; S379-A383 PolarHBondContact O-N 2.91Å; S380-A383 WeakPolarHBondContact O-CB 3.2Å; S380-A383 PolarHBondContact O-N 3.22Å; A383-G387 WeakPolarHBondContact O-CA 3.48Å; A383-G387 PolarHBondContact O-N 2.93Å; A383-M388 WeakPolarHBondContact CA-O 3.45Å; A383-M388 WeakPolarHBondContact CB-O 3.25Å; A383-M388 PolarHBondContact O-N 3.2Å; A383-P712 HydrophobicContact CB-CB 3.69Å; A383-T713 HydrophobicContact CB-CG2 4.43Å; A383-T713 WeakPolarHBondContact O-CG2 3.36Å |
| 384 | A | 79.9 | Confident | 84.6 | Confident | 5 Ų | 5 | 35.4 Ų | 35.4 | 4% | 0.041 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.5 | -49.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S380 A381 M382 H386 G387 W717 | S380-A384 WeakPolarHBondContact O-CB 3.36Å; S380-A384 PolarHBondContact O-N 2.96Å; A381-A384 PolarHBondContact O-N 3.5Å; M382-A384 PolarHBondContact O-N 3.39Å; A384-H386 VanDerWaalsContact C-N 3.28Å; A384-H386 PolarHBondContact O-N 2.84Å; A384-G387 PolarHBondContact O-N 3.21Å; A384-W717 HydrophobicContact CB-CD2 4.09Å; A384-W717 HydrophobicContact CB-CG 4.06Å; A384-W717 HydrophobicContact CB-CZ2 4.49Å; A384-W717 VanDerWaalsContact O-CZ2 3.25Å; A384-W717 WeakPolarHBondContact O-CZ2 3.3Å |
| 385 | Q | 78.9 | Confident | 85.1 | Confident | 37 Ų | 37 | 37.9 Ų | 37.9 | 17% | 0.173 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68 | -26.6 | -176.4 | -70.3 | 179.3 | 32.1 | 0 | 0 | 113.6 | E367 A381 M382 M620 W717 | E367-Q385 PolarHBondContact O-NE2 3.43Å; A381-Q385 WeakPolarHBondContact O-CG 3.37Å; A381-Q385 PolarHBondContact O-N 3.38Å; M382-Q385 PolarHBondContact O-N 2.92Å; Q385-M620 HydrophobicContact CG-SD 4.4Å; Q385-W717 HydrophobicContact CG-CH2 4.08Å; Q385-W717 HydrophobicContact CG-CZ3 4.26Å |
| 386 | H | 81.9 | Confident | 85.5 | Confident | 30 Ų | 30 | 38.8 Ų | 38.8 | 14% | 0.139 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -106.6 | -5.2 | -179.6 | -66.3 | -67.1 | 0 | 0 | 0 | 114.3 | V369 F371 M382 A384 M388 S530 | V369-H386 PolarHBondContact O-NE2 3.44Å; F371-H386 HydrophobicContact CD2-CB 3.9Å; F371-H386 AromaticContact CD2-CD2 3.89Å; F371-H386 AromaticContact CD2-CG 3.8Å; F371-H386 PolarHBondContact N-NE2 3.4Å; M382-H386 WeakPolarHBondContact O-CB 3.48Å; M382-H386 PolarHBondContact O-CD2 3.3Å; M382-H386 PolarHBondContact O-N 2.84Å; M382-H386 VanDerWaalsContact O-N 3.16Å; A384-H386 VanDerWaalsContact C-N 3.28Å; A384-H386 PolarHBondContact O-N 2.84Å; H386-M388 VanDerWaalsContact C-N 3.32Å; H386-M388 HydrophobicContact CB-CG 4.12Å; H386-M388 PolarHBondContact O-N 2.8Å; H386-S530 PolarHBondContact ND1-OG 3.47Å; H386-S530 VanDerWaalsContact ND1-OG 3.11Å |
| 387 | G | 82.8 | Confident | 86.2 | Confident | 10 Ų | 10 | 42.6 Ų | 42.6 | 10% | 0.103 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 36.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A383 A384 H492 | A383-G387 WeakPolarHBondContact O-CA 3.48Å; A383-G387 PolarHBondContact O-N 2.93Å; A384-G387 PolarHBondContact O-N 3.21Å; G387-H492 WeakPolarHBondContact O-CB 3.45Å; G387-H492 PolarHBondContact O-N 3.27Å |
| 388 | M | 86.8 | Confident | 86.9 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -123.4 | 109.6 | -176.3 | -63.1 | -71.2 | -63 | 0 | 0 | 109.7 | F371 L376 A383 H386 D390 A491 H492 A531 | F371-M388 HydrophobicContact CE2-CB 4.11Å; F371-M388 HydrophobicContact CE2-CG 3.84Å; F371-M388 HydrophobicContact CZ-CE 4.37Å; L376-M388 HydrophobicContact CD1-CB 4.4Å; L376-M388 HydrophobicContact CD2-CB 3.93Å; A383-M388 WeakPolarHBondContact CA-O 3.45Å; A383-M388 WeakPolarHBondContact CB-O 3.25Å; A383-M388 PolarHBondContact O-N 3.2Å; H386-M388 VanDerWaalsContact C-N 3.32Å; H386-M388 HydrophobicContact CB-CG 4.12Å; H386-M388 PolarHBondContact O-N 2.8Å; M388-D390 WeakPolarHBondContact CE-O 3.34Å; M388-A491 HydrophobicContact SD-CB 4.03Å; M388-H492 HydrophobicContact SD-CB 4.19Å; M388-A531 HydrophobicContact CE-CB 3.93Å; M388-A531 HydrophobicContact CG-CB 4.25Å; M388-A531 HydrophobicContact SD-CB 4.04Å | ||
| 389 | V | 84.6 | Confident | 87.5 | Confident | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.018 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -73.9 | -33.4 | 178.7 | -65.6 | 0 | 0 | 0 | 0 | 112.3 | Y429 H431 I438 H492 P711 T713 | V389-Y429 HydrophobicContact CB-CD2 4.27Å; V389-Y429 HydrophobicContact CB-CG 4.47Å; V389-Y429 HydrophobicContact CG2-CD2 4.32Å; V389-Y429 HydrophobicContact CG2-CG 4.04Å; V389-H431 PolarHBondContact O-ND1 3.25Å; V389-I438 HydrophobicContact CB-CD1 4.38Å; V389-I438 HydrophobicContact CG1-CD1 4.04Å; V389-I438 HydrophobicContact CG2-CD1 3.48Å; V389-I438 VanDerWaalsContact CG2-CD1 3.48Å; V389-H492 WeakPolarHBondContact CG2-CE1 3.45Å; V389-H492 WeakPolarHBondContact CG2-NE2 3.47Å; V389-P711 HydrophobicContact CG1-CB 4.11Å; V389-T713 HydrophobicContact CB-CG2 4.34Å; V389-T713 HydrophobicContact CG1-CG2 3.44Å; V389-T713 VanDerWaalsContact CG1-CG2 3.44Å |
| 390 | D | 88.3 | Confident | 88 | Confident | 11 Ų | 11 | 32.4 Ų | 32.4 | 6% | 0.059 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -152.8 | -163.3 | 170.4 | 68.2 | 13.8 | 0 | 0 | 0 | 109.5 | L376 M388 G392 Y427 Y429 R430 H492 | L376-D390 VanDerWaalsContact CD2-O 3.25Å; L376-D390 WeakPolarHBondContact CD2-O 3.48Å; M388-D390 WeakPolarHBondContact CE-O 3.34Å; D390-G392 VanDerWaalsContact C-N 3.31Å; D390-G392 PolarHBondContact O-N 2.9Å; D390-G392 PolarHBondContact OD1-N 3.29Å; D390-Y427 WeakPolarHBondContact OD1-CE1 3.48Å; D390-Y427 PolarHBondContact OD1-OH 3.41Å; D390-Y427 PolarHBondContact OD2-OH 3.25Å; D390-Y429 VanDerWaalsContact OD2-CA 3.25Å; D390-Y429 WeakPolarHBondContact OD2-CA 3.36Å; D390-Y429 VanDerWaalsContact OD2-CB 3.27Å; D390-Y429 WeakPolarHBondContact OD2-CB 3.49Å; D390-R430 PolarHBondContact OD2-N 3.2Å; D390-H492 IonicContact OD1-CD2 2.97Å; D390-H492 IonicContact OD1-CE1 2.74Å; D390-H492 IonicContact OD1-NE2 3.15Å; D390-H492 PolarHBondContact OD1-NE2 3.18Å |
| 391 | D | 88.8 | Confident | 88.9 | Confident | 73 Ų | 73 | 30.5 Ų | 30.5 | 39% | 0.39 | 17% | 0.168 | S | C | . | . | trans | -82 | 0 | -177.6 | 68.1 | -1.6 | 0 | 0 | 0 | 114.6 | S393 | D391-S393 VanDerWaalsContact C-N 3.35Å; D391-S393 WeakPolarHBondContact OD1-CB 3.37Å; D391-S393 PolarHBondContact OD1-N 2.95Å; D391-S393 PolarHBondContact OD1-OG 3.46Å; D391-S393 PolarHBondContact OD2-OG 2.98Å | ||
| 392 | G | 90.3 | Very high | 89.7 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | S | Bend | trans | 80.8 | 5.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | D390 G394 Y427 S495 L496 | D390-G392 VanDerWaalsContact C-N 3.31Å; D390-G392 PolarHBondContact O-N 2.9Å; D390-G392 PolarHBondContact OD1-N 3.29Å; G392-G394 VanDerWaalsContact C-N 3.32Å; G392-G394 PolarHBondContact O-N 3.15Å; G392-Y427 WeakPolarHBondContact CA-OH 3.38Å; G392-Y427 PolarHBondContact N-OH 3.45Å; G392-S495 WeakPolarHBondContact CA-OG 3.37Å; G392-L496 WeakPolarHBondContact O-CA 3.43Å |
| 393 | S | 90.5 | Very high | 89.9 | Confident | 91 Ų | 91 | 33 Ų | 33 | 64% | 0.636 | 18% | 0.183 | S | C | * | . | trans | -82.2 | -5.5 | -176.6 | 68.3 | 0 | 0 | 0 | 0 | 115 | D391 Y427 | D391-S393 VanDerWaalsContact C-N 3.35Å; D391-S393 WeakPolarHBondContact OD1-CB 3.37Å; D391-S393 PolarHBondContact OD1-N 2.95Å; D391-S393 PolarHBondContact OD1-OG 3.46Å; D391-S393 PolarHBondContact OD2-OG 2.98Å; S393-Y427 PolarHBondContact N-OH 2.9Å | ||
| 394 | G | 90.9 | Very high | 90.2 | Very high | 18 Ų | 18 | 37.1 Ų | 37.1 | 19% | 0.186 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -62.3 | 165.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | G392 Y427 N428 | G392-G394 VanDerWaalsContact C-N 3.32Å; G392-G394 PolarHBondContact O-N 3.15Å; G394-Y427 VanDerWaalsContact CA-CE2 3.43Å; G394-Y427 WeakPolarHBondContact CA-OH 3.37Å; G394-Y427 PolarHBondContact N-OH 3.34Å; G394-Y427 WeakPolarHBondContact O-CE2 3.31Å; G394-N428 WeakPolarHBondContact CA-O 3.44Å |
| 395 | E | 94.1 | Very high | 90.9 | Very high | 126 Ų | 126 | 41.8 Ų | 41.8 | 59% | 0.589 | 24% | 0.235 | S | C | * | . | trans | -64.4 | 139.5 | 175.8 | -172.1 | -177 | -177.1 | 0 | 0 | 110.2 | Y427 N428 | E395-Y427 WeakPolarHBondContact O-CA 3.47Å; E395-N428 HydrophobicContact CB-CB 4.34Å; E395-N428 PolarHBondContact O-N 2.79Å; E395-N428 PolarHBondContact OE2-ND2 3.16Å | ||
| 396 | K | 95.6 | Very high | 91.6 | Very high | 54 Ų | 54 | 43.1 Ų | 43.1 | 24% | 0.235 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 146.8 | -178.6 | 57.3 | -170.9 | 163.1 | -83.8 | 0 | 112.7 | Y414 L426 Y427 L496 | K396-Y414 HydrophobicContact CD-CD2 4.44Å; K396-Y414 HydrophobicContact CG-CD2 4.32Å; K396-Y414 HydrophobicContact CG-CE2 4.25Å; K396-L426 CarbonylContact C-O 3.57Å; K396-L426 WeakPolarHBondContact CA-O 3.42Å; K396-Y427 HydrophobicContact CB-CD2 4.12Å; K396-L496 HydrophobicContact CD-CB 4.16Å; K396-L496 WeakPolarHBondContact CE-O 3.34Å; K396-L496 PolarHBondContact NZ-O 3.03Å |
| 397 | Q | 97.4 | Very high | 92.3 | Very high | 82 Ų | 82 | 44 Ų | 44 | 38% | 0.383 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 131.2 | 171.8 | -63.9 | 176 | 41.7 | 0 | 0 | 108.3 | W399 I425 L426 | Q397-W399 HydrophobicContact CB-CE3 4.4Å; Q397-W399 HydrophobicContact CB-CH2 3.33Å; Q397-W399 HydrophobicContact CB-CZ2 3.75Å; Q397-W399 HydrophobicContact CB-CZ3 3.69Å; Q397-W399 HydrophobicContact CG-CH2 4.24Å; Q397-W399 WeakPolarHBondContact O-CZ3 3.29Å; Q397-W399 VanDerWaalsContact OE1-CH2 3.3Å; Q397-I425 WeakPolarHBondContact O-CA 3.2Å; Q397-L426 PolarHBondContact N-O 3.2Å; Q397-L426 PolarHBondContact O-N 2.67Å |
| 398 | I | 98 | Very high | 93 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 127.3 | -179.1 | -51.1 | -175.7 | 0 | 0 | 0 | 109 | V409 Y414 F417 Y423 I424 I425 F497 | I398-V409 HydrophobicContact CB-CB 4.25Å; I398-V409 HydrophobicContact CB-CG2 4.46Å; I398-V409 HydrophobicContact CG2-CB 4.14Å; I398-V409 HydrophobicContact CG2-CG2 3.87Å; I398-V409 PolarHBondContact O-N 2.98Å; I398-Y414 HydrophobicContact CB-CD1 4.26Å; I398-Y414 HydrophobicContact CB-CE1 3.77Å; I398-Y414 HydrophobicContact CB-CE2 4.47Å; I398-Y414 HydrophobicContact CD1-CD1 3.82Å; I398-Y414 HydrophobicContact CD1-CD2 3.83Å; I398-Y414 HydrophobicContact CD1-CE1 4.13Å; I398-Y414 HydrophobicContact CD1-CE2 4.14Å; I398-Y414 HydrophobicContact CD1-CG 3.66Å; I398-Y414 HydrophobicContact CG1-CD1 4.2Å; I398-Y414 HydrophobicContact CG1-CD2 4.13Å; I398-Y414 HydrophobicContact CG1-CE1 3.99Å; I398-Y414 HydrophobicContact CG1-CE2 3.91Å; I398-Y414 HydrophobicContact CG1-CG 4.28Å; I398-Y414 PolarHBondContact N-OH 2.93Å; I398-F417 HydrophobicContact CD1-CZ 4.33Å; I398-F417 HydrophobicContact CG2-CE1 4.46Å; I398-Y423 HydrophobicContact CG2-CD1 4.22Å; I398-I424 WeakPolarHBondContact CA-O 3.45Å; I398-I425 HydrophobicContact CD1-CG1 4.47Å; I398-I425 HydrophobicContact CG1-CG1 4.11Å; I398-I425 HydrophobicContact CG1-CG2 4.04Å; I398-I425 HydrophobicContact CG2-CG1 4.04Å; I398-F497 HydrophobicContact CD1-CE1 4.12Å |
| 399 | W | 98.1 | Very high | 93.5 | Very high | 37 Ų | 37 | 47.3 Ų | 47.3 | 14% | 0.14 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 142.6 | 171.3 | -59.4 | -91.3 | 0 | 0 | 0 | 110.2 | Q397 K406 V407 Y423 I424 L426 L462 | Q397-W399 HydrophobicContact CB-CE3 4.4Å; Q397-W399 HydrophobicContact CB-CH2 3.33Å; Q397-W399 HydrophobicContact CB-CZ2 3.75Å; Q397-W399 HydrophobicContact CB-CZ3 3.69Å; Q397-W399 HydrophobicContact CG-CH2 4.24Å; Q397-W399 WeakPolarHBondContact O-CZ3 3.29Å; Q397-W399 VanDerWaalsContact OE1-CH2 3.3Å; W399-K406 HydrophobicContact CB-CB 4.02Å; W399-K406 HydrophobicContact CG-CB 3.96Å; W399-V407 CarbonylContact C-O 3.59Å; W399-V407 WeakPolarHBondContact CA-O 3.46Å; W399-Y423 CarbonylContact O-C 3.58Å; W399-Y423 WeakPolarHBondContact O-CA 3.49Å; W399-Y423 WeakPolarHBondContact O-CB 3.14Å; W399-I424 HydrophobicContact CE3-CB 4.45Å; W399-I424 HydrophobicContact CE3-CG2 4.1Å; W399-I424 HydrophobicContact CZ3-CG2 4.48Å; W399-I424 PolarHBondContact N-O 2.77Å; W399-I424 PolarHBondContact O-N 3.43Å; W399-L426 HydrophobicContact CH2-CB 4.05Å; W399-L426 HydrophobicContact CH2-CD2 4.32Å; W399-L426 HydrophobicContact CZ3-CB 3.64Å; W399-L462 HydrophobicContact CZ3-CD2 4.37Å |
| 400 | R | 96.9 | Very high | 93.9 | Very high | 17 Ų | 17 | 51.7 Ų | 51.7 | 6% | 0.064 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 143.3 | 163.9 | 177.9 | 176.4 | 60.3 | -123.1 | 0 | 108.3 | E402 V407 V409 D421 Y423 S510 R511 | R400-E402 HydrophobicContact CG-CG 4.4Å; R400-E402 IonicContact CZ-OE1 2.74Å; R400-E402 IonicContact NE-OE1 2.68Å; R400-E402 PolarHBondContact NE-OE1 3.02Å; R400-E402 IonicContact NH2-OE1 2.78Å; R400-E402 PolarHBondContact NH2-OE1 2.84Å; R400-V407 PolarHBondContact N-O 2.88Å; R400-V407 PolarHBondContact O-N 2.89Å; R400-V409 HydrophobicContact CB-CG2 3.91Å; R400-D421 WeakPolarHBondContact CD-OD2 3.24Å; R400-D421 HydrophobicContact CG-CB 4.15Å; R400-Y423 HydrophobicContact CB-CD1 4.04Å; R400-Y423 HydrophobicContact CB-CE1 3.96Å; R400-Y423 HydrophobicContact CG-CE1 4.2Å; R400-S510 WeakPolarHBondContact CD-OG 3.3Å; R400-S510 PolarHBondContact NH1-O 3.14Å; R400-S510 PolarHBondContact NH1-OG 3.29Å; R400-R511 VanDerWaalsContact NE-CG 3.34Å |
| 401 | I | 96.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 128.1 | 174.8 | -54.7 | -48.9 | 0 | 0 | 0 | 108.9 | D405 K406 S422 I424 E451 A454 C455 L458 R511 | I401-D405 WeakPolarHBondContact CA-O 3.25Å; I401-K406 HydrophobicContact CD1-CG 4.18Å; I401-S422 PolarHBondContact N-O 2.89Å; I401-I424 HydrophobicContact CD1-CD1 3.85Å; I401-I424 HydrophobicContact CD1-CG1 4.04Å; I401-E451 HydrophobicContact CG2-CB 4.3Å; I401-E451 HydrophobicContact CG2-CG 4.47Å; I401-A454 HydrophobicContact CG2-CB 3.94Å; I401-C455 HydrophobicContact CG1-CB 3.93Å; I401-L458 HydrophobicContact CD1-CD1 3.77Å; I401-L458 HydrophobicContact CG2-CD1 4.34Å; I401-R511 PolarHBondContact O-NH2 2.95Å |
| 402 | E | 94 | Very high | 94.3 | Very high | 59 Ų | 59 | 56.6 Ų | 56.6 | 28% | 0.276 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 107.2 | 174.2 | -63 | -174 | -154.5 | 0 | 0 | 108.7 | R400 S404 D405 V407 R511 | R400-E402 HydrophobicContact CG-CG 4.4Å; R400-E402 IonicContact CZ-OE1 2.74Å; R400-E402 IonicContact NE-OE1 2.68Å; R400-E402 PolarHBondContact NE-OE1 3.02Å; R400-E402 IonicContact NH2-OE1 2.78Å; R400-E402 PolarHBondContact NH2-OE1 2.84Å; E402-S404 PolarHBondContact O-N 3.39Å; E402-D405 PolarHBondContact N-O 3.27Å; E402-D405 VanDerWaalsContact N-O 3.11Å; E402-D405 PolarHBondContact O-N 3.43Å; E402-D405 VanDerWaalsContact O-N 3.12Å; E402-V407 HydrophobicContact CB-CG2 3.95Å; E402-V407 HydrophobicContact CG-CB 4.33Å; E402-V407 HydrophobicContact CG-CG2 3.88Å; E402-R511 HydrophobicContact CG-CG 4.06Å |
| 403 | G | 90.3 | Very high | 94.4 | Very high | 35 Ų | 35 | 58.8 Ų | 58.8 | 36% | 0.361 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | -106.8 | -170.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | E451 A454 | G403-E451 PolarHBondContact N-OE1 2.86Å; G403-A454 WeakPolarHBondContact O-CB 3.32Å |
| 404 | S | 89.7 | Confident | 94.7 | Very high | 85 Ų | 85 | 57.3 Ų | 57.3 | 59% | 0.594 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.1 | 5.3 | -180 | 59.8 | 0 | 0 | 0 | 0 | 114.6 | E402 | E402-S404 PolarHBondContact O-N 3.39Š|
| 405 | D | 93.6 | Very high | 94.8 | Very high | 104 Ų | 104 | 56.6 Ų | 56.6 | 56% | 0.556 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 153.1 | -171.1 | -65.3 | -41.8 | 0 | 0 | 0 | 113.2 | I401 E402 | I401-D405 WeakPolarHBondContact CA-O 3.25Å; E402-D405 PolarHBondContact N-O 3.27Å; E402-D405 VanDerWaalsContact N-O 3.11Å; E402-D405 PolarHBondContact O-N 3.43Å; E402-D405 VanDerWaalsContact O-N 3.12Å |
| 406 | K | 95.4 | Very high | 94.8 | Very high | 65 Ų | 65 | 52.8 Ų | 52.8 | 28% | 0.283 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 109.6 | 170.2 | -66.8 | -178.3 | -68.1 | -164.9 | 0 | 109.5 | W399 I401 I424 L458 E465 | W399-K406 HydrophobicContact CB-CB 4.02Å; W399-K406 HydrophobicContact CG-CB 3.96Å; I401-K406 HydrophobicContact CD1-CG 4.18Å; K406-I424 HydrophobicContact CD-CD1 4.23Å; K406-I424 HydrophobicContact CG-CD1 4.41Å; K406-L458 HydrophobicContact CD-CB 4.43Å; K406-L458 HydrophobicContact CG-CB 4.32Å; K406-L458 HydrophobicContact CG-CD1 4.03Å; K406-L458 HydrophobicContact CG-CD2 4.3Å; K406-L458 HydrophobicContact CG-CG 4.46Å; K406-E465 IonicContact NZ-OE2 3.97Å |
| 407 | V | 96.6 | Very high | 94.7 | Very high | 49 Ų | 49 | 50.3 Ų | 50.3 | 30% | 0.297 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 124.7 | 177 | -177.3 | 0 | 0 | 0 | 0 | 109.7 | W399 R400 E402 V409 | W399-V407 CarbonylContact C-O 3.59Å; W399-V407 WeakPolarHBondContact CA-O 3.46Å; R400-V407 PolarHBondContact N-O 2.88Å; R400-V407 PolarHBondContact O-N 2.89Å; E402-V407 HydrophobicContact CB-CG2 3.95Å; E402-V407 HydrophobicContact CG-CB 4.33Å; E402-V407 HydrophobicContact CG-CG2 3.88Å; V407-V409 PolarHBondContact O-N 3.18Å |
| 408 | A | 96.9 | Very high | 94.6 | Very high | 70 Ų | 70 | 48.6 Ų | 48.6 | 58% | 0.579 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 132.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 409 | V | 96.6 | Very high | 94 | Very high | 9 Ų | 9 | 48.4 Ų | 48.4 | 6% | 0.055 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -79.2 | 143.5 | 173.5 | 176.7 | 0 | 0 | 0 | 0 | 109.2 | I398 R400 V407 P411 T413 Y414 Y423 | I398-V409 HydrophobicContact CB-CB 4.25Å; I398-V409 HydrophobicContact CB-CG2 4.46Å; I398-V409 HydrophobicContact CG2-CB 4.14Å; I398-V409 HydrophobicContact CG2-CG2 3.87Å; I398-V409 PolarHBondContact O-N 2.98Å; R400-V409 HydrophobicContact CB-CG2 3.91Å; V407-V409 PolarHBondContact O-N 3.18Å; V409-P411 WeakPolarHBondContact O-CD 3.25Å; V409-T413 VanDerWaalsContact CG1-OG1 3.3Å; V409-T413 WeakPolarHBondContact CG1-OG1 3.37Å; V409-Y414 HydrophobicContact CB-CD1 4.49Å; V409-Y414 HydrophobicContact CB-CE1 4.04Å; V409-Y414 HydrophobicContact CG1-CD1 4.11Å; V409-Y414 HydrophobicContact CG1-CE1 4.14Å; V409-Y414 WeakPolarHBondContact O-CE1 3.25Å; V409-Y423 HydrophobicContact CG2-CD1 4.07Å; V409-Y423 HydrophobicContact CG2-CE1 4.09Å |
| 410 | D | 93.9 | Very high | 93.5 | Very high | 94 Ų | 94 | 47.5 Ų | 47.5 | 50% | 0.503 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 122.8 | 174.4 | -173 | -40.2 | 0 | 0 | 0 | 110.1 | S412 T413 Y414 | D410-S412 PolarHBondContact O-N 3.5Å; D410-S412 VanDerWaalsContact O-N 3.07Å; D410-S412 VanDerWaalsContact OD1-CB 3.31Å; D410-S412 WeakPolarHBondContact OD1-CB 3.37Å; D410-S412 PolarHBondContact OD1-N 2.89Å; D410-S412 PolarHBondContact OD1-OG 2.99Å; D410-S412 PolarHBondContact OD2-OG 2.89Å; D410-T413 HydrophobicContact CB-CG2 4.44Å; D410-T413 PolarHBondContact O-N 2.76Å; D410-T413 PolarHBondContact O-OG1 3.18Å; D410-Y414 WeakPolarHBondContact O-CD1 3.5Å |
| 411 | P | 93.9 | Very high | 93.4 | Very high | 94 Ų | 94 | 46.7 Ų | 46.7 | 61% | 0.61 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -52.5 | -28.9 | 178.4 | -29 | 36.9 | 0 | 0 | 0 | 115.2 | V409 T413 Y414 | V409-P411 WeakPolarHBondContact O-CD 3.25Å; P411-T413 PolarHBondContact O-N 2.85Å; P411-Y414 VanDerWaalsContact CA-CD1 3.49Å; P411-Y414 HydrophobicContact CB-CE1 4.47Å; P411-Y414 WeakPolarHBondContact O-CB 3.4Å; P411-Y414 PolarHBondContact O-N 3.06Å |
| 412 | S | 91.4 | Very high | 93.4 | Very high | 94 Ų | 94 | 46.7 Ų | 46.7 | 66% | 0.657 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -67.5 | -18.2 | 176.5 | 66.3 | 0 | 0 | 0 | 0 | 113.6 | D410 | D410-S412 PolarHBondContact O-N 3.5Å; D410-S412 VanDerWaalsContact O-N 3.07Å; D410-S412 VanDerWaalsContact OD1-CB 3.31Å; D410-S412 WeakPolarHBondContact OD1-CB 3.37Å; D410-S412 PolarHBondContact OD1-N 2.89Å; D410-S412 PolarHBondContact OD1-OG 2.99Å; D410-S412 PolarHBondContact OD2-OG 2.89Å |
| 413 | T | 92.3 | Very high | 93.5 | Very high | 47 Ų | 47 | 43.9 Ų | 43.9 | 29% | 0.288 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -104.9 | 5 | 179 | 65.3 | 0 | 0 | 0 | 0 | 113.1 | V409 D410 P411 G415 Q416 | V409-T413 VanDerWaalsContact CG1-OG1 3.3Å; V409-T413 WeakPolarHBondContact CG1-OG1 3.37Å; D410-T413 HydrophobicContact CB-CG2 4.44Å; D410-T413 PolarHBondContact O-N 2.76Å; D410-T413 PolarHBondContact O-OG1 3.18Å; P411-T413 PolarHBondContact O-N 2.85Å; T413-G415 PolarHBondContact O-N 3.02Å; T413-Q416 WeakPolarHBondContact O-CB 3.32Å; T413-Q416 PolarHBondContact O-N 3.18Å |
| 414 | Y | 95.6 | Very high | 93.9 | Very high | 60 Ų | 60 | 42.2 Ų | 42.2 | 24% | 0.235 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | 131.5 | 177.3 | -81.5 | 18.2 | 0 | 0 | 0 | 110.9 | K396 I398 V409 D410 P411 | K396-Y414 HydrophobicContact CD-CD2 4.44Å; K396-Y414 HydrophobicContact CG-CD2 4.32Å; K396-Y414 HydrophobicContact CG-CE2 4.25Å; I398-Y414 HydrophobicContact CB-CD1 4.26Å; I398-Y414 HydrophobicContact CB-CE1 3.77Å; I398-Y414 HydrophobicContact CB-CE2 4.47Å; I398-Y414 HydrophobicContact CD1-CD1 3.82Å; I398-Y414 HydrophobicContact CD1-CD2 3.83Å; I398-Y414 HydrophobicContact CD1-CE1 4.13Å; I398-Y414 HydrophobicContact CD1-CE2 4.14Å; I398-Y414 HydrophobicContact CD1-CG 3.66Å; I398-Y414 HydrophobicContact CG1-CD1 4.2Å; I398-Y414 HydrophobicContact CG1-CD2 4.13Å; I398-Y414 HydrophobicContact CG1-CE1 3.99Å; I398-Y414 HydrophobicContact CG1-CE2 3.91Å; I398-Y414 HydrophobicContact CG1-CG 4.28Å; I398-Y414 PolarHBondContact N-OH 2.93Å; V409-Y414 HydrophobicContact CB-CD1 4.49Å; V409-Y414 HydrophobicContact CB-CE1 4.04Å; V409-Y414 HydrophobicContact CG1-CD1 4.11Å; V409-Y414 HydrophobicContact CG1-CE1 4.14Å; V409-Y414 WeakPolarHBondContact O-CE1 3.25Å; D410-Y414 WeakPolarHBondContact O-CD1 3.5Å; P411-Y414 VanDerWaalsContact CA-CD1 3.49Å; P411-Y414 HydrophobicContact CB-CE1 4.47Å; P411-Y414 WeakPolarHBondContact O-CB 3.4Å; P411-Y414 PolarHBondContact O-N 3.06Å |
| 415 | G | 93.1 | Very high | 94.3 | Very high | 4 Ų | 4 | 38.2 Ų | 38.2 | 4% | 0.041 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.6 | -8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114 | T413 F497 M502 V503 | T413-G415 PolarHBondContact O-N 3.02Å; G415-F497 VanDerWaalsContact CA-CE1 3.43Å; G415-M502 CarbonylContact O-C 3.22Å; G415-V503 PolarHBondContact O-N 3.48Å |
| 416 | Q | 95.3 | Very high | 94.5 | Very high | 46 Ų | 46 | 34 Ų | 34 | 22% | 0.215 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 120.8 | 176.8 | -59.4 | -173.8 | 58.9 | 0 | 0 | 111.3 | T413 V503 Y505 I582 | T413-Q416 WeakPolarHBondContact O-CB 3.32Å; T413-Q416 PolarHBondContact O-N 3.18Å; Q416-V503 WeakPolarHBondContact CA-O 3.32Å; Q416-V503 HydrophobicContact CG-CB 4.35Å; Q416-Y505 HydrophobicContact CB-CE2 4.1Å; Q416-Y505 PolarHBondContact OE1-OH 3.08Å; Q416-I582 HydrophobicContact CG-CG2 4.3Å |
| 417 | F | 94.2 | Very high | 94.4 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 0% | 0.004 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 136 | -175.8 | -62.7 | -91.3 | 0 | 0 | 0 | 110.6 | I398 Y423 I425 W442 F497 M502 V503 V504 Y505 | I398-F417 HydrophobicContact CD1-CZ 4.33Å; I398-F417 HydrophobicContact CG2-CE1 4.46Å; F417-Y423 HydrophobicContact CB-CE2 4.36Å; F417-Y423 HydrophobicContact CD1-CD1 4.14Å; F417-Y423 AromaticContact CD1-CD2 3.75Å; F417-Y423 HydrophobicContact CD1-CD2 3.75Å; F417-Y423 HydrophobicContact CD1-CE1 4.41Å; F417-Y423 HydrophobicContact CD1-CE2 4.05Å; F417-Y423 AromaticContact CD1-CG 3.81Å; F417-Y423 HydrophobicContact CD1-CG 3.81Å; F417-Y423 HydrophobicContact CE1-CD1 4.32Å; F417-Y423 HydrophobicContact CE1-CD2 4.47Å; F417-Y423 HydrophobicContact CE1-CG 4.1Å; F417-I425 HydrophobicContact CE1-CD1 3.78Å; F417-I425 HydrophobicContact CE1-CG1 4.4Å; F417-I425 HydrophobicContact CZ-CD1 3.69Å; F417-W442 HydrophobicContact CB-CH2 4.08Å; F417-W442 HydrophobicContact CB-CZ2 4.12Å; F417-W442 HydrophobicContact CB-CZ3 4.32Å; F417-W442 HydrophobicContact CD1-CD2 4.4Å; F417-F497 HydrophobicContact CE2-CE1 4.32Å; F417-F497 HydrophobicContact CE2-CE2 4.15Å; F417-F497 AromaticContact CE2-CZ 3.63Å; F417-F497 HydrophobicContact CE2-CZ 3.63Å; F417-F497 HydrophobicContact CZ-CE1 4.43Å; F417-F497 AromaticContact CZ-CZ 3.85Å; F417-F497 HydrophobicContact CZ-CZ 3.85Å; F417-M502 HydrophobicContact CD2-CE 3.38Å; F417-M502 HydrophobicContact CD2-CG 4.01Å; F417-M502 HydrophobicContact CE2-CE 3.42Å; F417-M502 VanDerWaalsContact CE2-CE 3.42Å; F417-M502 HydrophobicContact CE2-CG 4.03Å; F417-M502 HydrophobicContact CE2-SD 4.48Å; F417-M502 HydrophobicContact CG-CE 4.01Å; F417-M502 HydrophobicContact CZ-CE 4.08Å; F417-V503 PolarHBondContact N-O 3.22Å; F417-V504 CarbonylContact O-C 3.45Å; F417-V504 WeakPolarHBondContact O-CA 3.48Å; F417-Y505 WeakPolarHBondContact O-CD2 3.37Å; F417-Y505 PolarHBondContact O-N 3.32Å |
| 418 | F | 93.3 | Very high | 94.2 | Very high | 47 Ų | 47 | 30.7 Ų | 30.7 | 21% | 0.206 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 131.9 | -178.8 | -69 | -101 | 0 | 0 | 0 | 110.8 | G420 D421 Y423 W442 Y505 | F418-G420 PolarHBondContact O-N 3.36Å; F418-G420 VanDerWaalsContact O-N 3.16Å; F418-D421 PolarHBondContact O-N 3.01Å; F418-Y423 PolarHBondContact N-OH 2.91Å; F418-W442 WeakPolarHBondContact O-CZ3 3.36Å; F418-Y505 AromaticContact CD1-CD2 3.74Å; F418-Y505 HydrophobicContact CD1-CD2 3.74Å; F418-Y505 HydrophobicContact CD1-CG 4.14Å; F418-Y505 AromaticContact CD2-CD2 3.97Å; F418-Y505 HydrophobicContact CD2-CD2 3.97Å; F418-Y505 HydrophobicContact CD2-CE2 4.47Å; F418-Y505 AromaticContact CE1-CD2 3.53Å; F418-Y505 HydrophobicContact CE1-CD2 3.53Å; F418-Y505 AromaticContact CE1-CE2 4Å; F418-Y505 HydrophobicContact CE1-CE2 4Å; F418-Y505 HydrophobicContact CE1-CG 4.05Å; F418-Y505 AromaticContact CE2-CD2 3.76Å; F418-Y505 HydrophobicContact CE2-CD2 3.76Å; F418-Y505 AromaticContact CE2-CE2 3.85Å; F418-Y505 HydrophobicContact CE2-CE2 3.85Å; F418-Y505 AromaticContact CG-CD2 3.96Å; F418-Y505 HydrophobicContact CG-CD2 3.96Å; F418-Y505 AromaticContact CZ-CD2 3.54Å; F418-Y505 HydrophobicContact CZ-CD2 3.54Å; F418-Y505 AromaticContact CZ-CE2 3.59Å; F418-Y505 HydrophobicContact CZ-CE2 3.59Å; F418-Y505 HydrophobicContact CZ-CG 4.46Å |
| 419 | G | 85.4 | Confident | 93.8 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -16.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | D421 G444 S445 D446 S447 Y505 | G419-D421 VanDerWaalsContact C-N 3.32Å; G419-G444 CarbonylContact O-C 3.56Å; G419-G444 WeakPolarHBondContact O-CA 3.44Å; G419-S445 PolarHBondContact O-N 2.61Å; G419-D446 CarbonylContact O-C 3.38Å; G419-D446 WeakPolarHBondContact O-CA 3.49Å; G419-D446 PolarHBondContact O-N 3.21Å; G419-S447 PolarHBondContact O-N 3.34Å; G419-Y505 PolarHBondContact N-O 3.26Å |
| 420 | G | 89.6 | Confident | 93.2 | Very high | 18 Ų | 18 | 35.1 Ų | 35.1 | 19% | 0.186 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -2.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | F418 S447 G508 | F418-G420 PolarHBondContact O-N 3.36Å; F418-G420 VanDerWaalsContact O-N 3.16Å; G420-S447 WeakPolarHBondContact O-CA 3.02Å; G420-G508 WeakPolarHBondContact CA-O 3.3Å; G420-G508 PolarHBondContact N-O 3.3Å |
| 421 | D | 94.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -116.7 | 161.1 | -178.8 | -69.2 | -44.5 | 0 | 0 | 0 | 111.9 | R400 F418 G419 Y423 G444 T509 S510 R511 | R400-D421 WeakPolarHBondContact CD-OD2 3.24Å; R400-D421 HydrophobicContact CG-CB 4.15Å; F418-D421 PolarHBondContact O-N 3.01Å; G419-D421 VanDerWaalsContact C-N 3.32Å; D421-Y423 HydrophobicContact CB-CD2 4.23Å; D421-Y423 HydrophobicContact CB-CE2 3.39Å; D421-Y423 WeakPolarHBondContact CB-OH 3.41Å; D421-Y423 PolarHBondContact OD2-OH 2.89Å; D421-G444 WeakPolarHBondContact O-CA 3.45Å; D421-G444 PolarHBondContact O-N 2.92Å; D421-G444 VanDerWaalsContact O-N 3.1Å; D421-T509 WeakPolarHBondContact OD1-CB 3.37Å; D421-T509 PolarHBondContact OD1-OG1 2.9Å; D421-T509 WeakPolarHBondContact OD2-CA 3.43Å; D421-T509 WeakPolarHBondContact OD2-CB 3.46Å; D421-T509 PolarHBondContact OD2-OG1 3.07Å; D421-S510 PolarHBondContact OD2-N 2.86Å; D421-S510 PolarHBondContact OD2-OG 3.03Å; D421-R511 IonicContact OD1-CZ 3.82Å; D421-R511 IonicContact OD1-NE 3.05Å; D421-R511 PolarHBondContact OD1-NE 3.33Å; D421-R511 IonicContact OD1-NH2 2.85Å; D421-R511 PolarHBondContact OD1-NH2 3.05Å; D421-R511 VanDerWaalsContact OD1-NH2 3.09Å | ||
| 422 | S | 95.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 146.3 | 164.4 | -69.3 | 0 | 0 | 0 | 0 | 109.8 | I401 W442 S447 | I401-S422 PolarHBondContact N-O 2.89Å; S422-W442 CarbonylContact C-O 3.56Å; S422-W442 WeakPolarHBondContact CA-O 3.34Å; S422-S447 PolarHBondContact N-OG 2.91Å; S422-S447 PolarHBondContact OG-OG 2.84Å |
| 423 | Y | 97.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 146.2 | -174.9 | -58.6 | -101.7 | 0 | 0 | 0 | 111.8 | I398 W399 R400 V409 F417 F418 D421 M441 W442 S510 | I398-Y423 HydrophobicContact CG2-CD1 4.22Å; W399-Y423 CarbonylContact O-C 3.58Å; W399-Y423 WeakPolarHBondContact O-CA 3.49Å; W399-Y423 WeakPolarHBondContact O-CB 3.14Å; R400-Y423 HydrophobicContact CB-CD1 4.04Å; R400-Y423 HydrophobicContact CB-CE1 3.96Å; R400-Y423 HydrophobicContact CG-CE1 4.2Å; V409-Y423 HydrophobicContact CG2-CD1 4.07Å; V409-Y423 HydrophobicContact CG2-CE1 4.09Å; F417-Y423 HydrophobicContact CB-CE2 4.36Å; F417-Y423 HydrophobicContact CD1-CD1 4.14Å; F417-Y423 AromaticContact CD1-CD2 3.75Å; F417-Y423 HydrophobicContact CD1-CD2 3.75Å; F417-Y423 HydrophobicContact CD1-CE1 4.41Å; F417-Y423 HydrophobicContact CD1-CE2 4.05Å; F417-Y423 AromaticContact CD1-CG 3.81Å; F417-Y423 HydrophobicContact CD1-CG 3.81Å; F417-Y423 HydrophobicContact CE1-CD1 4.32Å; F417-Y423 HydrophobicContact CE1-CD2 4.47Å; F417-Y423 HydrophobicContact CE1-CG 4.1Å; F418-Y423 PolarHBondContact N-OH 2.91Å; D421-Y423 HydrophobicContact CB-CD2 4.23Å; D421-Y423 HydrophobicContact CB-CE2 3.39Å; D421-Y423 WeakPolarHBondContact CB-OH 3.41Å; D421-Y423 PolarHBondContact OD2-OH 2.89Å; Y423-M441 CarbonylContact O-C 3.41Å; Y423-M441 WeakPolarHBondContact O-CA 3.33Å; Y423-W442 AromaticContact CD2-CE3 3.61Å; Y423-W442 HydrophobicContact CD2-CE3 3.61Å; Y423-W442 AromaticContact CD2-CZ3 3.97Å; Y423-W442 HydrophobicContact CD2-CZ3 3.97Å; Y423-W442 HydrophobicContact CE2-CE3 4.08Å; Y423-W442 AromaticContact CE2-CZ3 3.96Å; Y423-W442 HydrophobicContact CE2-CZ3 3.96Å; Y423-W442 PolarHBondContact N-O 3.49Å; Y423-W442 PolarHBondContact O-N 3.27Å; Y423-S510 PolarHBondContact OH-OG 2.76Å; Y423-S510 VanDerWaalsContact OH-OG 3.05Å |
| 424 | I | 97.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 130.4 | 166.6 | -67.3 | 176.4 | 0 | 0 | 0 | 108.1 | I398 W399 I401 K406 I439 Y440 L458 L462 | I398-I424 WeakPolarHBondContact CA-O 3.45Å; W399-I424 HydrophobicContact CE3-CB 4.45Å; W399-I424 HydrophobicContact CE3-CG2 4.1Å; W399-I424 HydrophobicContact CZ3-CG2 4.48Å; W399-I424 PolarHBondContact N-O 2.77Å; W399-I424 PolarHBondContact O-N 3.43Å; I401-I424 HydrophobicContact CD1-CD1 3.85Å; I401-I424 HydrophobicContact CD1-CG1 4.04Å; K406-I424 HydrophobicContact CD-CD1 4.23Å; K406-I424 HydrophobicContact CG-CD1 4.41Å; I424-I439 HydrophobicContact CG2-CG2 3.96Å; I424-Y440 CarbonylContact C-O 3.6Å; I424-Y440 VanDerWaalsContact CA-O 3.31Å; I424-Y440 WeakPolarHBondContact CA-O 3.22Å; I424-L458 HydrophobicContact CD1-CB 3.61Å; I424-L462 HydrophobicContact CG2-CD2 3.9Å |
| 425 | I | 98 | Very high | 89.5 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 116.9 | 175.1 | -51 | 161.6 | 0 | 0 | 0 | 107.8 | Q397 I398 F417 I439 Y440 L493 L496 | Q397-I425 WeakPolarHBondContact O-CA 3.2Å; I398-I425 HydrophobicContact CD1-CG1 4.47Å; I398-I425 HydrophobicContact CG1-CG1 4.11Å; I398-I425 HydrophobicContact CG1-CG2 4.04Å; I398-I425 HydrophobicContact CG2-CG1 4.04Å; F417-I425 HydrophobicContact CE1-CD1 3.78Å; F417-I425 HydrophobicContact CE1-CG1 4.4Å; F417-I425 HydrophobicContact CZ-CD1 3.69Å; I425-I439 CarbonylContact O-C 3.54Å; I425-I439 VanDerWaalsContact O-CA 3.31Å; I425-I439 WeakPolarHBondContact O-CA 3.45Å; I425-Y440 HydrophobicContact CB-CD2 4.4Å; I425-Y440 PolarHBondContact N-O 2.87Å; I425-Y440 PolarHBondContact O-N 2.67Å; I425-L493 HydrophobicContact CD1-CD1 3.53Å; I425-L496 HydrophobicContact CG2-CD1 4.25Å |
| 426 | L | 96.7 | Very high | 89.1 | Confident | 15 Ų | 15 | 33.7 Ų | 33.7 | 8% | 0.079 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 122.1 | 168 | 178.1 | 63.3 | 0 | 0 | 0 | 108.3 | K396 Q397 W399 H437 I438 I439 L462 L466 | K396-L426 CarbonylContact C-O 3.57Å; K396-L426 WeakPolarHBondContact CA-O 3.42Å; Q397-L426 PolarHBondContact N-O 3.2Å; Q397-L426 PolarHBondContact O-N 2.67Å; W399-L426 HydrophobicContact CH2-CB 4.05Å; W399-L426 HydrophobicContact CH2-CD2 4.32Å; W399-L426 HydrophobicContact CZ3-CB 3.64Å; L426-H437 HydrophobicContact CD1-CB 3.97Å; L426-I438 CarbonylContact C-O 3.57Å; L426-I438 WeakPolarHBondContact CA-O 3.28Å; L426-I439 HydrophobicContact CD1-CG1 3.97Å; L426-L462 HydrophobicContact CB-CD2 4.36Å; L426-L466 HydrophobicContact CD1-CD1 3.5Å; L426-L466 HydrophobicContact CD2-CD1 4.12Å; L426-L466 HydrophobicContact CG-CD1 4.48Å |
| 427 | Y | 95.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 134.6 | 179.6 | 177.3 | -103.5 | 0 | 0 | 0 | 111.1 | D390 G392 S393 G394 E395 K396 H437 I438 H492 L496 | D390-Y427 WeakPolarHBondContact OD1-CE1 3.48Å; D390-Y427 PolarHBondContact OD1-OH 3.41Å; D390-Y427 PolarHBondContact OD2-OH 3.25Å; G392-Y427 WeakPolarHBondContact CA-OH 3.38Å; G392-Y427 PolarHBondContact N-OH 3.45Å; S393-Y427 PolarHBondContact N-OH 2.9Å; G394-Y427 VanDerWaalsContact CA-CE2 3.43Å; G394-Y427 WeakPolarHBondContact CA-OH 3.37Å; G394-Y427 PolarHBondContact N-OH 3.34Å; G394-Y427 WeakPolarHBondContact O-CE2 3.31Å; E395-Y427 WeakPolarHBondContact O-CA 3.47Å; K396-Y427 HydrophobicContact CB-CD2 4.12Å; Y427-H437 CarbonylContact O-C 3.53Å; Y427-H437 WeakPolarHBondContact O-CA 3.48Å; Y427-I438 PolarHBondContact N-O 2.95Å; Y427-I438 PolarHBondContact O-N 3.34Å; Y427-H492 AromaticContact CD1-CE1 3.64Å; Y427-H492 AromaticContact CE1-CE1 3.38Å; Y427-H492 WeakPolarHBondContact CE1-CE1 3.46Å; Y427-H492 AromaticContact CE1-NE2 3.71Å; Y427-L496 HydrophobicContact CD1-CD2 4.34Å; Y427-L496 HydrophobicContact CD2-CD1 4.2Å; Y427-L496 HydrophobicContact CD2-CD2 3.65Å; Y427-L496 HydrophobicContact CD2-CG 4.49Å; Y427-L496 HydrophobicContact CE1-CD2 4.22Å; Y427-L496 HydrophobicContact CE2-CD2 3.54Å; Y427-L496 HydrophobicContact CG-CD1 4.4Å; Y427-L496 HydrophobicContact CG-CD2 4.05Å |
| 428 | N | 92.4 | Very high | 88.7 | Confident | 45 Ų | 45 | 33.1 Ų | 33.1 | 24% | 0.241 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 115 | 177.4 | -62.7 | -13.6 | 0 | 0 | 0 | 109.6 | G394 E395 G436 H437 | G394-N428 WeakPolarHBondContact CA-O 3.44Å; E395-N428 HydrophobicContact CB-CB 4.34Å; E395-N428 PolarHBondContact O-N 2.79Å; E395-N428 PolarHBondContact OE2-ND2 3.16Å; N428-G436 CarbonylContact C-O 3.47Å; N428-G436 WeakPolarHBondContact CA-O 3.41Å; N428-H437 PolarHBondContact OD1-CE1 3.03Å; N428-H437 VanDerWaalsContact OD1-CE1 3.29Å; N428-H437 PolarHBondContact OD1-ND1 3.36Å |
| 429 | Y | 87.9 | Confident | 88.8 | Confident | 7 Ų | 7 | 30.9 Ų | 30.9 | 3% | 0.027 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 157.4 | 180 | 77.3 | -91.2 | 0 | 0 | 0 | 112.2 | V389 D390 H431 Q435 G436 I438 I478 P712 | V389-Y429 HydrophobicContact CB-CD2 4.27Å; V389-Y429 HydrophobicContact CB-CG 4.47Å; V389-Y429 HydrophobicContact CG2-CD2 4.32Å; V389-Y429 HydrophobicContact CG2-CG 4.04Å; D390-Y429 VanDerWaalsContact OD2-CA 3.25Å; D390-Y429 WeakPolarHBondContact OD2-CA 3.36Å; D390-Y429 VanDerWaalsContact OD2-CB 3.27Å; D390-Y429 WeakPolarHBondContact OD2-CB 3.49Å; Y429-H431 HydrophobicContact CD2-CB 4.39Å; Y429-Q435 WeakPolarHBondContact O-CA 3.44Å; Y429-G436 VanDerWaalsContact CD1-O 3.28Å; Y429-G436 WeakPolarHBondContact CD1-O 3.49Å; Y429-G436 VanDerWaalsContact CE1-CA 3.41Å; Y429-G436 PolarHBondContact N-O 3.5Å; Y429-G436 PolarHBondContact O-N 3.06Å; Y429-I438 HydrophobicContact CD1-CD1 4.21Å; Y429-I438 HydrophobicContact CD1-CG1 3.82Å; Y429-I438 HydrophobicContact CE1-CG1 4.04Å; Y429-I478 WeakPolarHBondContact OH-CG2 3.4Å; Y429-P712 HydrophobicContact CE2-CG 4.43Å |
| 430 | R | 84.4 | Confident | 89.3 | Confident | 165 Ų | 165 | 31.2 Ų | 31.2 | 62% | 0.623 | 17% | 0.174 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 127.4 | 172.2 | -169.6 | -179 | -178.4 | -174.1 | -2.4 | 110.8 | D390 R434 Q435 | D390-R430 PolarHBondContact OD2-N 3.2Å; R430-R434 WeakPolarHBondContact CA-O 3.28Å; R430-R434 WeakPolarHBondContact CG-O 3.26Å; R430-Q435 HydrophobicContact CG-CG 4.44Å |
| 431 | H | 78.9 | Confident | 89.5 | Confident | 10 Ų | 10 | 30.8 Ų | 30.8 | 5% | 0.046 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 136.2 | 179.4 | -169.2 | 107.2 | 0 | 0 | 0 | 110.6 | L376 V389 Y429 G433 R434 P712 | L376-H431 PolarHBondContact O-CE1 3.26Å; V389-H431 PolarHBondContact O-ND1 3.25Å; Y429-H431 HydrophobicContact CD2-CB 4.39Å; H431-G433 PolarHBondContact O-N 3.45Å; H431-G433 VanDerWaalsContact O-N 3.11Å; H431-R434 PolarHBondContact N-O 3.07Å; H431-R434 PolarHBondContact O-N 3.34Å; H431-P712 HydrophobicContact CB-CG 3.57Å; H431-P712 VanDerWaalsContact CD2-CG 3.46Å; H431-P712 WeakPolarHBondContact CD2-CG 3.42Å |
| 432 | G | 75.2 | Confident | 89.5 | Confident | 57 Ų | 57 | 30.8 Ų | 30.8 | 59% | 0.588 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 32.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | H377 R434 | H377-G432 PolarHBondContact O-N 2.96Å; G432-R434 PolarHBondContact O-N 2.95Å |
| 433 | G | 76.2 | Confident | 89.2 | Confident | 64 Ų | 64 | 31.3 Ų | 31.3 | 66% | 0.66 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.9 | -3.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | H431 | H431-G433 PolarHBondContact O-N 3.45Å; H431-G433 VanDerWaalsContact O-N 3.11Å |
| 434 | R | 75.1 | Confident | 88.5 | Confident | 99 Ų | 99 | 31.4 Ų | 31.4 | 37% | 0.374 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 151.8 | 176.4 | -60.6 | -179 | 179.3 | -140.8 | -10.5 | 111.2 | R430 H431 G432 H723 | R430-R434 WeakPolarHBondContact CA-O 3.28Å; R430-R434 WeakPolarHBondContact CG-O 3.26Å; H431-R434 PolarHBondContact N-O 3.07Å; H431-R434 PolarHBondContact O-N 3.34Å; G432-R434 PolarHBondContact O-N 2.95Å; R434-H723 PolarHBondContact NH1-ND1 2.7Å |
| 435 | Q | 82.9 | Confident | 87.6 | Confident | 132 Ų | 132 | 34.8 Ų | 34.8 | 62% | 0.617 | 19% | 0.194 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 146.2 | 172.7 | -69.5 | -178.3 | -10.1 | 0 | 0 | 109.7 | Y429 R430 | Y429-Q435 WeakPolarHBondContact O-CA 3.44Å; R430-Q435 HydrophobicContact CG-CG 4.44Å |
| 436 | G | 85.2 | Confident | 86.9 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 174.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | N428 Y429 I478 | N428-G436 CarbonylContact C-O 3.47Å; N428-G436 WeakPolarHBondContact CA-O 3.41Å; Y429-G436 VanDerWaalsContact CD1-O 3.28Å; Y429-G436 WeakPolarHBondContact CD1-O 3.49Å; Y429-G436 VanDerWaalsContact CE1-CA 3.41Å; Y429-G436 PolarHBondContact N-O 3.5Å; Y429-G436 PolarHBondContact O-N 3.06Å; G436-I478 CarbonylContact C-O 2.84Å; G436-I478 WeakPolarHBondContact CA-O 3.39Å |
| 437 | H | 89.9 | Confident | 86.5 | Confident | 30 Ų | 30 | 39.2 Ų | 39.2 | 14% | 0.139 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 141.9 | 177.9 | -56.7 | -56.4 | 0 | 0 | 0 | 110.4 | L426 Y427 N428 P477 I478 T479 T480 | L426-H437 HydrophobicContact CD1-CB 3.97Å; Y427-H437 CarbonylContact O-C 3.53Å; Y427-H437 WeakPolarHBondContact O-CA 3.48Å; N428-H437 PolarHBondContact OD1-CE1 3.03Å; N428-H437 VanDerWaalsContact OD1-CE1 3.29Å; N428-H437 PolarHBondContact OD1-ND1 3.36Å; H437-P477 WeakPolarHBondContact NE2-CB 3.42Å; H437-I478 PolarHBondContact N-O 2.84Å; H437-I478 VanDerWaalsContact O-O 3.06Å; H437-T479 HydrophobicContact CB-CG2 4.24Å; H437-T479 WeakPolarHBondContact O-CA 3.37Å; H437-T480 PolarHBondContact O-N 2.95Å |
| 438 | I | 90.9 | Very high | 86.2 | Confident | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 129 | 164 | -57 | 179 | 0 | 0 | 0 | 108.2 | V389 L426 Y427 Y429 Y440 T480 V482 | V389-I438 HydrophobicContact CB-CD1 4.38Å; V389-I438 HydrophobicContact CG1-CD1 4.04Å; V389-I438 HydrophobicContact CG2-CD1 3.48Å; V389-I438 VanDerWaalsContact CG2-CD1 3.48Å; L426-I438 CarbonylContact C-O 3.57Å; L426-I438 WeakPolarHBondContact CA-O 3.28Å; Y427-I438 PolarHBondContact N-O 2.95Å; Y427-I438 PolarHBondContact O-N 3.34Å; Y429-I438 HydrophobicContact CD1-CD1 4.21Å; Y429-I438 HydrophobicContact CD1-CG1 3.82Å; Y429-I438 HydrophobicContact CE1-CG1 4.04Å; I438-Y440 HydrophobicContact CB-CE2 4.1Å; I438-Y440 HydrophobicContact CG2-CD1 4.38Å; I438-Y440 HydrophobicContact CG2-CD2 3.79Å; I438-Y440 HydrophobicContact CG2-CE1 4.1Å; I438-Y440 HydrophobicContact CG2-CE2 3.48Å; I438-Y440 VanDerWaalsContact CG2-CE2 3.48Å; I438-Y440 HydrophobicContact CG2-CG 4.23Å; I438-T480 CarbonylContact C-O 3.55Å; I438-T480 WeakPolarHBondContact CA-O 3.24Å; I438-V482 HydrophobicContact CG2-CG2 3.69Å |
| 439 | I | 95.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 102.5 | 170.5 | -56.9 | 170.6 | 0 | 0 | 0 | 107.6 | I424 I425 L426 M441 L462 D463 L466 T479 T480 V482 | I424-I439 HydrophobicContact CG2-CG2 3.96Å; I425-I439 CarbonylContact O-C 3.54Å; I425-I439 VanDerWaalsContact O-CA 3.31Å; I425-I439 WeakPolarHBondContact O-CA 3.45Å; L426-I439 HydrophobicContact CD1-CG1 3.97Å; I439-M441 HydrophobicContact CG2-CG 4.46Å; I439-L462 HydrophobicContact CD1-CB 4.19Å; I439-L462 HydrophobicContact CD1-CD2 4.15Å; I439-L462 HydrophobicContact CD1-CG 3.92Å; I439-L462 HydrophobicContact CG1-CD2 4.24Å; I439-L462 HydrophobicContact CG1-CG 4.5Å; I439-L462 HydrophobicContact CG2-CD2 4.27Å; I439-D463 HydrophobicContact CD1-CB 3.84Å; I439-L466 HydrophobicContact CD1-CD1 4.26Å; I439-T479 HydrophobicContact CD1-CG2 3.62Å; I439-T479 HydrophobicContact CG1-CG2 4.04Å; I439-T480 PolarHBondContact N-O 2.62Å; I439-V482 PolarHBondContact O-N 3.37Å |
| 440 | Y | 95.8 | Very high | 85.8 | Confident | 7 Ų | 7 | 51.1 Ų | 51.1 | 3% | 0.027 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 126.5 | 168.6 | -64.8 | -81.9 | 0 | 0 | 0 | 109.9 | I424 I425 I438 V482 V484 P490 H492 L493 L496 | I424-Y440 CarbonylContact C-O 3.6Å; I424-Y440 VanDerWaalsContact CA-O 3.31Å; I424-Y440 WeakPolarHBondContact CA-O 3.22Å; I425-Y440 HydrophobicContact CB-CD2 4.4Å; I425-Y440 PolarHBondContact N-O 2.87Å; I425-Y440 PolarHBondContact O-N 2.67Å; I438-Y440 HydrophobicContact CB-CE2 4.1Å; I438-Y440 HydrophobicContact CG2-CD1 4.38Å; I438-Y440 HydrophobicContact CG2-CD2 3.79Å; I438-Y440 HydrophobicContact CG2-CE1 4.1Å; I438-Y440 HydrophobicContact CG2-CE2 3.48Å; I438-Y440 VanDerWaalsContact CG2-CE2 3.48Å; I438-Y440 HydrophobicContact CG2-CG 4.23Å; Y440-V482 WeakPolarHBondContact CA-O 3.36Å; Y440-V482 HydrophobicContact CD1-CB 3.57Å; Y440-V482 HydrophobicContact CD1-CG1 3.76Å; Y440-V482 HydrophobicContact CD1-CG2 4.11Å; Y440-V482 HydrophobicContact CE1-CB 3.79Å; Y440-V482 HydrophobicContact CE1-CG1 3.8Å; Y440-V482 HydrophobicContact CE1-CG2 3.88Å; Y440-V482 HydrophobicContact CG-CB 4.45Å; Y440-V484 HydrophobicContact CD1-CG2 3.78Å; Y440-V484 HydrophobicContact CE1-CG2 4.49Å; Y440-P490 HydrophobicContact CE1-CG 3.88Å; Y440-H492 AromaticContact CZ-ND1 3.86Å; Y440-H492 PolarHBondContact OH-ND1 3.49Å; Y440-L493 HydrophobicContact CD1-CB 4.36Å; Y440-L493 HydrophobicContact CD1-CD1 4.42Å; Y440-L493 HydrophobicContact CD1-CD2 4.3Å; Y440-L493 HydrophobicContact CD2-CD1 4Å; Y440-L493 HydrophobicContact CE1-CB 4.02Å; Y440-L493 HydrophobicContact CE2-CD1 4.28Å; Y440-L493 HydrophobicContact CG-CD1 4.08Å; Y440-L496 HydrophobicContact CD2-CD1 4.4Å; Y440-L496 HydrophobicContact CE2-CD1 4.14Å |
| 441 | M | 94.9 | Very high | 86.1 | Confident | 9 Ų | 9 | 43.9 Ų | 43.9 | 4% | 0.044 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 92.6 | 169.2 | -67 | 167.2 | -73.1 | 0 | 0 | 107.5 | Y423 I439 Q481 V482 V484 | Y423-M441 CarbonylContact O-C 3.41Å; Y423-M441 WeakPolarHBondContact O-CA 3.33Å; I439-M441 HydrophobicContact CG2-CG 4.46Å; M441-Q481 HydrophobicContact CE-CB 3.91Å; M441-V482 PolarHBondContact N-O 2.87Å; M441-V484 PolarHBondContact O-N 3.13Å |
| 442 | W | 94.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 125.4 | -179.7 | -171.4 | 99.1 | 0 | 0 | 0 | 109.9 | F417 F418 S422 Y423 G444 V484 Q486 E489 V504 | F417-W442 HydrophobicContact CB-CH2 4.08Å; F417-W442 HydrophobicContact CB-CZ2 4.12Å; F417-W442 HydrophobicContact CB-CZ3 4.32Å; F417-W442 HydrophobicContact CD1-CD2 4.4Å; F418-W442 WeakPolarHBondContact O-CZ3 3.36Å; S422-W442 CarbonylContact C-O 3.56Å; S422-W442 WeakPolarHBondContact CA-O 3.34Å; Y423-W442 AromaticContact CD2-CE3 3.61Å; Y423-W442 HydrophobicContact CD2-CE3 3.61Å; Y423-W442 AromaticContact CD2-CZ3 3.97Å; Y423-W442 HydrophobicContact CD2-CZ3 3.97Å; Y423-W442 HydrophobicContact CE2-CE3 4.08Å; Y423-W442 AromaticContact CE2-CZ3 3.96Å; Y423-W442 HydrophobicContact CE2-CZ3 3.96Å; Y423-W442 PolarHBondContact N-O 3.49Å; Y423-W442 PolarHBondContact O-N 3.27Å; W442-G444 VanDerWaalsContact CZ3-N 3.3Å; W442-V484 CarbonylContact C-O 3.53Å; W442-V484 WeakPolarHBondContact CA-O 3.43Å; W442-V484 HydrophobicContact CB-CB 4.48Å; W442-V484 HydrophobicContact CG-CG1 4.48Å; W442-Q486 HydrophobicContact CH2-CB 3.9Å; W442-Q486 HydrophobicContact CH2-CG 4.02Å; W442-Q486 HydrophobicContact CZ2-CB 3.58Å; W442-Q486 HydrophobicContact CZ2-CG 3.74Å; W442-E489 PolarHBondContact NE1-OE1 3.15Å; W442-V504 HydrophobicContact CH2-CG1 4.22Å; W442-V504 HydrophobicContact CZ2-CG1 3.7Å; W442-V504 HydrophobicContact CZ2-CG2 4.4Å |
| 443 | Q | 87.9 | Confident | 86.9 | Confident | 11 Ų | 11 | 43.7 Ų | 43.7 | 5% | 0.051 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 114 | -174.4 | -62.5 | 177.8 | -22.8 | 0 | 0 | 109.7 | I452 V484 Q486 | Q443-I452 HydrophobicContact CG-CG2 4.48Å; Q443-V484 PolarHBondContact N-O 2.93Å; Q443-Q486 PolarHBondContact O-N 2.84Å |
| 444 | G | 84.1 | Confident | 87.6 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | trans | -66.9 | 147.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G419 D421 W442 D446 S447 | G419-G444 CarbonylContact O-C 3.56Å; G419-G444 WeakPolarHBondContact O-CA 3.44Å; D421-G444 WeakPolarHBondContact O-CA 3.45Å; D421-G444 PolarHBondContact O-N 2.92Å; D421-G444 VanDerWaalsContact O-N 3.1Å; W442-G444 VanDerWaalsContact CZ3-N 3.3Å; G444-D446 PolarHBondContact O-N 3.28Å; G444-S447 WeakPolarHBondContact O-CB 3.24Å; G444-S447 PolarHBondContact O-N 3.08Å | ||
| 445 | S | 77.8 | Confident | 88.4 | Confident | 72 Ų | 72 | 36.6 Ų | 36.6 | 50% | 0.503 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -26.5 | -178.3 | 60.4 | 0 | 0 | 0 | 0 | 113.5 | G419 Q486 | G419-S445 PolarHBondContact O-N 2.61Å; S445-Q486 PolarHBondContact OG-OE1 2.96Å; S445-Q486 VanDerWaalsContact OG-OE1 3.11Å |
| 446 | D | 83.8 | Confident | 88.4 | Confident | 101 Ų | 101 | 32.2 Ų | 32.2 | 54% | 0.54 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 4.7 | -178.6 | -61.7 | -1.2 | 0 | 0 | 0 | 111.4 | G419 G444 | G419-D446 CarbonylContact O-C 3.38Å; G419-D446 WeakPolarHBondContact O-CA 3.49Å; G419-D446 PolarHBondContact O-N 3.21Å; G444-D446 PolarHBondContact O-N 3.28Å |
| 447 | S | 88.1 | Confident | 88.6 | Confident | 6 Ų | 6 | 36.9 Ų | 36.9 | 4% | 0.042 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -67.2 | 143 | 175.5 | -172.4 | 0 | 0 | 0 | 0 | 110.2 | G419 G420 S422 G444 I452 | G419-S447 PolarHBondContact O-N 3.34Å; G420-S447 WeakPolarHBondContact O-CA 3.02Å; S422-S447 PolarHBondContact N-OG 2.91Å; S422-S447 PolarHBondContact OG-OG 2.84Å; G444-S447 WeakPolarHBondContact O-CB 3.24Å; G444-S447 PolarHBondContact O-N 3.08Å; S447-I452 WeakPolarHBondContact O-CD1 3.49Å |
| 448 | S | 88.6 | Confident | 88.8 | Confident | 44 Ų | 44 | 36.2 Ų | 36.2 | 31% | 0.308 | 21% | 0.211 | S | C | . | . | trans | -68.9 | 150.4 | -177.6 | 70.7 | 0 | 0 | 0 | 0 | 111.2 | D450 E451 I452 | S448-D450 VanDerWaalsContact C-N 3.25Å; S448-D450 WeakPolarHBondContact CB-OD1 3.42Å; S448-D450 PolarHBondContact O-N 2.72Å; S448-D450 PolarHBondContact OG-OD1 2.87Å; S448-E451 PolarHBondContact O-N 2.76Å; S448-E451 VanDerWaalsContact O-N 3.12Å; S448-E451 WeakPolarHBondContact OG-CG 3.14Å; S448-I452 WeakPolarHBondContact O-CG1 3.47Å; S448-I452 PolarHBondContact O-N 2.89Å | ||
| 449 | Q | 85.8 | Confident | 88.7 | Confident | 153 Ų | 153 | 36 Ų | 36 | 72% | 0.715 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -62.9 | -33.2 | -175.7 | -68.6 | -62.1 | -54.5 | 0 | 0 | 112.8 | G453 | Q449-G453 PolarHBondContact O-N 3.26Å |
| 450 | D | 88 | Confident | 88.3 | Confident | 106 Ų | 106 | 38.1 Ų | 38.1 | 57% | 0.567 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -64.4 | -40.9 | 174.5 | 56.1 | -57 | 0 | 0 | 0 | 111.9 | S448 G453 A454 | S448-D450 VanDerWaalsContact C-N 3.25Å; S448-D450 WeakPolarHBondContact CB-OD1 3.42Å; S448-D450 PolarHBondContact O-N 2.72Å; S448-D450 PolarHBondContact OG-OD1 2.87Å; D450-G453 PolarHBondContact O-N 2.82Å; D450-A454 WeakPolarHBondContact O-CB 3.39Å; D450-A454 PolarHBondContact O-N 2.83Å |
| 451 | E | 90.4 | Very high | 88 | Confident | 12 Ų | 12 | 42 Ų | 42 | 6% | 0.056 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -77 | -33.8 | 178.8 | -69.1 | -176.7 | 155.5 | 0 | 0 | 113.1 | I401 G403 S448 G453 A454 C455 R511 | I401-E451 HydrophobicContact CG2-CB 4.3Å; I401-E451 HydrophobicContact CG2-CG 4.47Å; G403-E451 PolarHBondContact N-OE1 2.86Å; S448-E451 PolarHBondContact O-N 2.76Å; S448-E451 VanDerWaalsContact O-N 3.12Å; S448-E451 WeakPolarHBondContact OG-CG 3.14Å; E451-G453 VanDerWaalsContact C-N 3.27Å; E451-G453 PolarHBondContact O-N 2.9Å; E451-A454 PolarHBondContact O-N 2.79Å; E451-C455 VanDerWaalsContact O-CB 3.25Å; E451-C455 WeakPolarHBondContact O-CB 3.38Å; E451-C455 PolarHBondContact O-N 2.92Å; E451-R511 IonicContact OE1-CZ 3.37Å; E451-R511 IonicContact OE1-NH1 2.77Å; E451-R511 PolarHBondContact OE1-NH1 2.77Å; E451-R511 IonicContact OE1-NH2 2.79Å; E451-R511 PolarHBondContact OE1-NH2 2.81Å; E451-R511 IonicContact OE2-CZ 3.21Å; E451-R511 IonicContact OE2-NH1 2.83Å; E451-R511 IonicContact OE2-NH2 2.73Å; E451-R511 PolarHBondContact OE2-NH2 2.75Å |
| 452 | I | 86.2 | Confident | 87.8 | Confident | 31 Ų | 31 | 42 Ų | 42 | 16% | 0.159 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.1 | -43.7 | 168.5 | -71.5 | 172.3 | 0 | 0 | 0 | 109.9 | Q443 S447 S448 A456 | Q443-I452 HydrophobicContact CG-CG2 4.48Å; S447-I452 WeakPolarHBondContact O-CD1 3.49Å; S448-I452 WeakPolarHBondContact O-CG1 3.47Å; S448-I452 PolarHBondContact O-N 2.89Å; I452-A456 PolarHBondContact O-N 2.82Å |
| 453 | G | 84.4 | Confident | 87.4 | Confident | 32 Ų | 32 | 42.1 Ų | 42.1 | 33% | 0.33 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.2 | -47.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q449 D450 E451 C455 A456 I457 | Q449-G453 PolarHBondContact O-N 3.26Å; D450-G453 PolarHBondContact O-N 2.82Å; E451-G453 VanDerWaalsContact C-N 3.27Å; E451-G453 PolarHBondContact O-N 2.9Å; G453-C455 VanDerWaalsContact C-N 3.32Å; G453-C455 PolarHBondContact O-N 2.9Å; G453-A456 PolarHBondContact O-N 2.7Å; G453-I457 WeakPolarHBondContact O-CG1 3.4Å; G453-I457 PolarHBondContact O-N 2.99Å; G453-I457 VanDerWaalsContact O-N 3.1Å |
| 454 | A | 90.9 | Very high | 87.2 | Confident | 14 Ų | 14 | 45.8 Ų | 45.8 | 12% | 0.116 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.6 | -40.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | I401 G403 D450 E451 A456 I457 L458 | I401-A454 HydrophobicContact CG2-CB 3.94Å; G403-A454 WeakPolarHBondContact O-CB 3.32Å; D450-A454 WeakPolarHBondContact O-CB 3.39Å; D450-A454 PolarHBondContact O-N 2.83Å; E451-A454 PolarHBondContact O-N 2.79Å; A454-A456 VanDerWaalsContact C-N 3.34Å; A454-A456 PolarHBondContact O-N 2.84Å; A454-I457 PolarHBondContact O-N 3.34Å; A454-L458 HydrophobicContact CB-CD1 4.42Å; A454-L458 VanDerWaalsContact O-CB 3.28Å; A454-L458 WeakPolarHBondContact O-CB 3.44Å; A454-L458 VanDerWaalsContact O-CG 3.26Å; A454-L458 WeakPolarHBondContact O-CG 3.44Å; A454-L458 PolarHBondContact O-N 3.11Å |
| 455 | C | 91 | Very high | 87.3 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.4 | -44.8 | 175.9 | -177.1 | 0 | 0 | 0 | 0 | 112 | I401 E451 G453 G459 | I401-C455 HydrophobicContact CG1-CB 3.93Å; E451-C455 VanDerWaalsContact O-CB 3.25Å; E451-C455 WeakPolarHBondContact O-CB 3.38Å; E451-C455 PolarHBondContact O-N 2.92Å; G453-C455 VanDerWaalsContact C-N 3.32Å; G453-C455 PolarHBondContact O-N 2.9Å; C455-G459 PolarHBondContact O-N 2.97Å |
| 456 | A | 84.4 | Confident | 87.5 | Confident | 40 Ų | 40 | 50.9 Ų | 50.9 | 33% | 0.331 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.9 | -40.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I452 G453 A454 S460 | I452-A456 PolarHBondContact O-N 2.82Å; G453-A456 PolarHBondContact O-N 2.7Å; A454-A456 VanDerWaalsContact C-N 3.34Å; A454-A456 PolarHBondContact O-N 2.84Å; A456-S460 PolarHBondContact O-N 3.44Å; A456-S460 VanDerWaalsContact O-N 3.11Å; A456-S460 PolarHBondContact O-OG 3Å |
| 457 | I | 88.3 | Confident | 86.9 | Confident | 101 Ų | 101 | 47.4 Ų | 47.4 | 52% | 0.518 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.1 | -51.6 | 177.8 | -66.6 | 166.7 | 0 | 0 | 0 | 110.4 | G453 A454 G459 S460 Q461 | G453-I457 WeakPolarHBondContact O-CG1 3.4Å; G453-I457 PolarHBondContact O-N 2.99Å; G453-I457 VanDerWaalsContact O-N 3.1Å; A454-I457 PolarHBondContact O-N 3.34Å; I457-G459 VanDerWaalsContact C-N 3.31Å; I457-G459 PolarHBondContact O-N 3.24Å; I457-S460 WeakPolarHBondContact O-CB 3.36Å; I457-S460 PolarHBondContact O-N 3.42Å; I457-S460 VanDerWaalsContact O-N 3.17Å; I457-Q461 HydrophobicContact CG2-CG 4.5Å; I457-Q461 WeakPolarHBondContact O-CG 2.97Å; I457-Q461 PolarHBondContact O-N 3.02Å |
| 458 | L | 94 | Very high | 85.8 | Confident | 16 Ų | 16 | 47.7 Ų | 47.7 | 8% | 0.084 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.6 | -34 | -178.9 | -70.7 | 165.8 | 0 | 0 | 0 | 112.1 | I401 K406 I424 A454 L462 | I401-L458 HydrophobicContact CD1-CD1 3.77Å; I401-L458 HydrophobicContact CG2-CD1 4.34Å; K406-L458 HydrophobicContact CD-CB 4.43Å; K406-L458 HydrophobicContact CG-CB 4.32Å; K406-L458 HydrophobicContact CG-CD1 4.03Å; K406-L458 HydrophobicContact CG-CD2 4.3Å; K406-L458 HydrophobicContact CG-CG 4.46Å; I424-L458 HydrophobicContact CD1-CB 3.61Å; A454-L458 HydrophobicContact CB-CD1 4.42Å; A454-L458 VanDerWaalsContact O-CB 3.28Å; A454-L458 WeakPolarHBondContact O-CB 3.44Å; A454-L458 VanDerWaalsContact O-CG 3.26Å; A454-L458 WeakPolarHBondContact O-CG 3.44Å; A454-L458 PolarHBondContact O-N 3.11Å; L458-L462 WeakPolarHBondContact O-CB 3.47Å; L458-L462 PolarHBondContact O-N 2.99Å |
| 459 | G | 90 | Very high | 84.3 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.5 | -40.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | C455 I457 L462 D463 | C455-G459 PolarHBondContact O-N 2.97Å; I457-G459 VanDerWaalsContact C-N 3.31Å; I457-G459 PolarHBondContact O-N 3.24Å; G459-L462 PolarHBondContact O-N 2.95Å; G459-D463 PolarHBondContact O-N 2.91Å; G459-D463 VanDerWaalsContact O-N 3.09Å |
| 460 | S | 86.7 | Confident | 82.5 | Confident | 43 Ų | 43 | 45.9 Ų | 45.9 | 30% | 0.301 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -68.2 | -41.9 | 174.7 | -59.3 | 0 | 0 | 0 | 0 | 112 | A456 I457 L462 D463 D464 | A456-S460 PolarHBondContact O-N 3.44Å; A456-S460 VanDerWaalsContact O-N 3.11Å; A456-S460 PolarHBondContact O-OG 3Å; I457-S460 WeakPolarHBondContact O-CB 3.36Å; I457-S460 PolarHBondContact O-N 3.42Å; I457-S460 VanDerWaalsContact O-N 3.17Å; S460-L462 VanDerWaalsContact C-N 3.32Å; S460-L462 PolarHBondContact O-N 2.99Å; S460-D463 WeakPolarHBondContact O-CB 3.33Å; S460-D463 PolarHBondContact O-N 3.23Å; S460-D464 PolarHBondContact O-N 2.74Å |
| 461 | Q | 89 | Confident | 80.5 | Confident | 90 Ų | 90 | 46.2 Ų | 46.2 | 42% | 0.421 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 175.1 | -72.7 | 174 | -7.9 | 0 | 0 | 111.9 | I457 D463 D464 E465 | I457-Q461 HydrophobicContact CG2-CG 4.5Å; I457-Q461 WeakPolarHBondContact O-CG 2.97Å; I457-Q461 PolarHBondContact O-N 3.02Å; Q461-D463 VanDerWaalsContact C-N 3.33Å; Q461-D463 PolarHBondContact O-N 3.44Å; Q461-D464 PolarHBondContact O-N 3.34Å; Q461-E465 VanDerWaalsContact O-CG 3.32Å; Q461-E465 WeakPolarHBondContact O-CG 3.38Å; Q461-E465 PolarHBondContact O-N 3.26Å |
| 462 | L | 90.4 | Very high | 78.6 | Confident | 9 Ų | 9 | 51.6 Ų | 51.6 | 5% | 0.047 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.4 | -37.7 | 175.7 | -179.1 | 61.2 | 0 | 0 | 0 | 112 | W399 I424 L426 I439 L458 G459 S460 E465 L466 | W399-L462 HydrophobicContact CZ3-CD2 4.37Å; I424-L462 HydrophobicContact CG2-CD2 3.9Å; L426-L462 HydrophobicContact CB-CD2 4.36Å; I439-L462 HydrophobicContact CD1-CB 4.19Å; I439-L462 HydrophobicContact CD1-CD2 4.15Å; I439-L462 HydrophobicContact CD1-CG 3.92Å; I439-L462 HydrophobicContact CG1-CD2 4.24Å; I439-L462 HydrophobicContact CG1-CG 4.5Å; I439-L462 HydrophobicContact CG2-CD2 4.27Å; L458-L462 WeakPolarHBondContact O-CB 3.47Å; L458-L462 PolarHBondContact O-N 2.99Å; G459-L462 PolarHBondContact O-N 2.95Å; S460-L462 VanDerWaalsContact C-N 3.32Å; S460-L462 PolarHBondContact O-N 2.99Å; L462-E465 PolarHBondContact O-N 2.63Å; L462-L466 HydrophobicContact CD1-CD1 4.13Å; L462-L466 HydrophobicContact CD1-CG 4.3Å; L462-L466 HydrophobicContact CG-CD1 4.07Å; L462-L466 WeakPolarHBondContact O-CB 3.45Å; L462-L466 VanDerWaalsContact O-CG 3.28Å; L462-L466 WeakPolarHBondContact O-CG 3.3Å; L462-L466 PolarHBondContact O-N 3.2Å; L462-L466 VanDerWaalsContact O-N 3.09Å |
| 463 | D | 86.4 | Confident | 77.1 | Confident | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.011 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.4 | -45 | 173.1 | -178.4 | 41.2 | 0 | 0 | 0 | 111.3 | I439 G459 S460 Q461 E465 L466 G467 G468 T479 Q481 K706 | I439-D463 HydrophobicContact CD1-CB 3.84Å; G459-D463 PolarHBondContact O-N 2.91Å; G459-D463 VanDerWaalsContact O-N 3.09Å; S460-D463 WeakPolarHBondContact O-CB 3.33Å; S460-D463 PolarHBondContact O-N 3.23Å; Q461-D463 VanDerWaalsContact C-N 3.33Å; Q461-D463 PolarHBondContact O-N 3.44Å; D463-E465 PolarHBondContact O-N 3.49Å; D463-L466 PolarHBondContact O-N 3.09Å; D463-G467 PolarHBondContact O-N 3.42Å; D463-G468 VanDerWaalsContact O-CA 3.27Å; D463-G468 WeakPolarHBondContact O-CA 3.17Å; D463-G468 PolarHBondContact O-N 3.36Å; D463-T479 HydrophobicContact CB-CG2 4.39Å; D463-T479 VanDerWaalsContact OD1-CB 3.24Å; D463-T479 WeakPolarHBondContact OD1-CB 3.33Å; D463-T479 WeakPolarHBondContact OD1-CG2 3.47Å; D463-Q481 HydrophobicContact CB-CG 4.1Å; D463-Q481 VanDerWaalsContact CB-NE2 3.32Å; D463-Q481 VanDerWaalsContact CG-NE2 3.28Å; D463-Q481 PolarHBondContact OD2-NE2 3.12Å; D463-K706 IonicContact OD1-NZ 3.72Å; D463-K706 IonicContact OD2-NZ 3.52Å; D463-K706 PolarHBondContact OD2-NZ 2.94Å |
| 464 | D | 84 | Confident | 75.7 | Confident | 88 Ų | 88 | 59.5 Ų | 59.5 | 47% | 0.471 | 35% | 0.35 | S | S | . | . | I | π-helix | trans | -61.7 | -42.7 | 176.8 | -67.4 | -23.9 | 0 | 0 | 0 | 112.1 | S460 Q461 L466 G467 | S460-D464 PolarHBondContact O-N 2.74Å; Q461-D464 PolarHBondContact O-N 3.34Å; D464-L466 VanDerWaalsContact C-N 3.27Å; D464-L466 PolarHBondContact O-N 3.1Å; D464-G467 PolarHBondContact O-N 3.26Å |
| 465 | E | 85.3 | Confident | 74.1 | Confident | 134 Ų | 134 | 62.6 Ų | 62.6 | 63% | 0.626 | 38% | 0.384 | S | S | * | . | I | π-helix | trans | -60.7 | -33.5 | 175.9 | -74.5 | 170.3 | -174.5 | 0 | 0 | 112.9 | K406 Q461 L462 D463 G467 | K406-E465 IonicContact NZ-OE2 3.97Å; Q461-E465 VanDerWaalsContact O-CG 3.32Å; Q461-E465 WeakPolarHBondContact O-CG 3.38Å; Q461-E465 PolarHBondContact O-N 3.26Å; L462-E465 PolarHBondContact O-N 2.63Å; D463-E465 PolarHBondContact O-N 3.49Å; E465-G467 VanDerWaalsContact C-N 3.26Å; E465-G467 PolarHBondContact O-N 3.37Å |
| 466 | L | 82.2 | Confident | 72.7 | Confident | 47 Ų | 47 | 63.7 Ų | 63.7 | 25% | 0.246 | 39% | 0.393 | C | S | . | . | I | π-helix | trans | -86.9 | 11.3 | 180 | -66.9 | 172.9 | 0 | 0 | 0 | 113.6 | L426 I439 L462 D463 D464 | L426-L466 HydrophobicContact CD1-CD1 3.5Å; L426-L466 HydrophobicContact CD2-CD1 4.12Å; L426-L466 HydrophobicContact CG-CD1 4.48Å; I439-L466 HydrophobicContact CD1-CD1 4.26Å; L462-L466 HydrophobicContact CD1-CD1 4.13Å; L462-L466 HydrophobicContact CD1-CG 4.3Å; L462-L466 HydrophobicContact CG-CD1 4.07Å; L462-L466 WeakPolarHBondContact O-CB 3.45Å; L462-L466 VanDerWaalsContact O-CG 3.28Å; L462-L466 WeakPolarHBondContact O-CG 3.3Å; L462-L466 PolarHBondContact O-N 3.2Å; L462-L466 VanDerWaalsContact O-N 3.09Å; D463-L466 PolarHBondContact O-N 3.09Å; D464-L466 VanDerWaalsContact C-N 3.27Å; D464-L466 PolarHBondContact O-N 3.1Å |
| 467 | G | 71.8 | Confident | 71.8 | Confident | 28 Ų | 28 | 64.2 Ų | 64.2 | 29% | 0.289 | 39% | 0.393 | S | S | . | . | I | π-helix | trans | 92.4 | 13.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | D463 D464 E465 G469 | D463-G467 PolarHBondContact O-N 3.42Å; D464-G467 PolarHBondContact O-N 3.26Å; E465-G467 VanDerWaalsContact C-N 3.26Å; E465-G467 PolarHBondContact O-N 3.37Å; G467-G469 VanDerWaalsContact C-N 3.29Å |
| 468 | G | 63.8 | Low | 70.9 | Confident | 11 Ų | 11 | 60.2 Ų | 60.2 | 11% | 0.113 | 37% | 0.372 | C | S | . | . | I | π-helix | trans | -78 | -4.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | D463 K706 | D463-G468 VanDerWaalsContact O-CA 3.27Å; D463-G468 WeakPolarHBondContact O-CA 3.17Å; D463-G468 PolarHBondContact O-N 3.36Å; G468-K706 PolarHBondContact O-NZ 2.87Å |
| 469 | G | 57.6 | Low | 70.3 | Confident | 23 Ų | 23 | 60 Ų | 60 | 24% | 0.237 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -60.1 | 173.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | G467 V471 | G467-G469 VanDerWaalsContact C-N 3.29Å; G469-V471 PolarHBondContact O-N 3.17Å |
| 470 | P | 48.8 | Very low | 70.1 | Confident | 137 Ų | 137 | 60 Ų | 60 | 89% | 0.89 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -63.4 | -6.8 | -174.4 | 24.5 | -34.2 | 0 | 0 | 0 | 115.2 | ||
| 471 | V | 46.1 | Very low | 70.2 | Confident | 112 Ų | 112 | 58.4 Ų | 58.4 | 68% | 0.679 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -106 | 109.4 | 179.4 | -178 | 0 | 0 | 0 | 0 | 109.2 | G469 V473 | G469-V471 PolarHBondContact O-N 3.17Å; V471-V473 PolarHBondContact O-N 3.13Å |
| 472 | Q | 49.4 | Very low | 70.1 | Confident | 125 Ų | 125 | 54.4 Ų | 54.4 | 58% | 0.584 | 34% | 0.341 | S | S | * | . | trans | -64.6 | 114.7 | 177.8 | -170.4 | 177.2 | 13.7 | 0 | 0 | 110.9 | F709 | Q472-F709 HydrophobicContact CG-CE2 4.49Š| ||
| 473 | V | 55.3 | Low | 70 | Confident | 84 Ų | 84 | 57 Ų | 57 | 51% | 0.509 | 35% | 0.35 | S | S | . | . | trans | -94.4 | 113.4 | 171.1 | -178.5 | 0 | 0 | 0 | 0 | 108.8 | V471 G475 A476 | V471-V473 PolarHBondContact O-N 3.13Å; V473-G475 PolarHBondContact O-N 2.87Å; V473-A476 HydrophobicContact CB-CB 4.14Å; V473-A476 HydrophobicContact CG1-CB 4.49Å; V473-A476 WeakPolarHBondContact O-CB 3.47Å; V473-A476 PolarHBondContact O-N 2.86Å; V473-A476 VanDerWaalsContact O-N 3.13Å | ||
| 474 | V | 55 | Low | 70 | Confident | 145 Ų | 145 | 56.9 Ų | 56.9 | 88% | 0.879 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 120.2 | 176.9 | 179.7 | 0 | 0 | 0 | 0 | 109.5 | ||
| 475 | G | 56.8 | Low | 69.7 | Low | 80 Ų | 80 | 53.6 Ų | 53.6 | 83% | 0.825 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.6 | 3.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | V473 | V473-G475 PolarHBondContact O-N 2.87Š|
| 476 | A | 62.1 | Low | 69.4 | Low | 23 Ų | 23 | 47.9 Ų | 47.9 | 19% | 0.19 | 31% | 0.306 | C | S | . | . | trans | -66.4 | 146.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V473 | V473-A476 HydrophobicContact CB-CB 4.14Å; V473-A476 HydrophobicContact CG1-CB 4.49Å; V473-A476 WeakPolarHBondContact O-CB 3.47Å; V473-A476 PolarHBondContact O-N 2.86Å; V473-A476 VanDerWaalsContact O-N 3.13Å | ||
| 477 | P | 65.4 | Low | 68.7 | Low | 51 Ų | 51 | 46.5 Ų | 46.5 | 33% | 0.331 | 30% | 0.303 | S | S | . | . | trans | -61.9 | 150.8 | 175.6 | -18.9 | 31.2 | 0 | 0 | 0 | 112.3 | H437 T479 | H437-P477 WeakPolarHBondContact NE2-CB 3.42Å; P477-T479 PolarHBondContact O-N 2.85Å | ||
| 478 | I | 69.6 | Low | 68.8 | Low | 17 Ų | 17 | 48.5 Ų | 48.5 | 9% | 0.087 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 112.7 | 179.8 | -65.5 | 165.9 | 0 | 0 | 0 | 110.9 | Y429 G436 H437 F709 | Y429-I478 WeakPolarHBondContact OH-CG2 3.4Å; G436-I478 CarbonylContact C-O 2.84Å; G436-I478 WeakPolarHBondContact CA-O 3.39Å; H437-I478 PolarHBondContact N-O 2.84Å; H437-I478 VanDerWaalsContact O-O 3.06Å; I478-F709 HydrophobicContact CB-CB 4.43Å; I478-F709 HydrophobicContact CB-CD1 4.29Å; I478-F709 HydrophobicContact CG1-CB 4.4Å; I478-F709 HydrophobicContact CG1-CD1 3.91Å; I478-F709 HydrophobicContact CG2-CB 3.94Å; I478-F709 WeakPolarHBondContact CG2-O 3.5Å |
| 479 | T | 81.2 | Confident | 69.7 | Low | 10 Ų | 10 | 48.4 Ų | 48.4 | 6% | 0.061 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 121.4 | 174.6 | -51.7 | 0 | 0 | 0 | 0 | 111.7 | H437 I439 D463 P477 | H437-T479 HydrophobicContact CB-CG2 4.24Å; H437-T479 WeakPolarHBondContact O-CA 3.37Å; I439-T479 HydrophobicContact CD1-CG2 3.62Å; I439-T479 HydrophobicContact CG1-CG2 4.04Å; D463-T479 HydrophobicContact CB-CG2 4.39Å; D463-T479 VanDerWaalsContact OD1-CB 3.24Å; D463-T479 WeakPolarHBondContact OD1-CB 3.33Å; D463-T479 WeakPolarHBondContact OD1-CG2 3.47Å; P477-T479 PolarHBondContact O-N 2.85Å |
| 480 | T | 84.4 | Confident | 70.7 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.012 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 131.4 | 175.9 | -60 | 0 | 0 | 0 | 0 | 109.9 | H437 I438 I439 V482 V703 I705 P711 | H437-T480 PolarHBondContact O-N 2.95Å; I438-T480 CarbonylContact C-O 3.55Å; I438-T480 WeakPolarHBondContact CA-O 3.24Å; I439-T480 PolarHBondContact N-O 2.62Å; T480-V482 HydrophobicContact CG2-CG2 4.23Å; T480-V703 HydrophobicContact CG2-CG1 3.56Å; T480-I705 HydrophobicContact CG2-CG1 4.42Å; T480-P711 HydrophobicContact CG2-CG 4.34Å |
| 481 | Q | 88.9 | Confident | 72.4 | Confident | 9 Ų | 9 | 42 Ų | 42 | 4% | 0.042 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 134.1 | 174.5 | -59.7 | -176.8 | 36.8 | 0 | 0 | 110.5 | M441 D463 V703 K704 | M441-Q481 HydrophobicContact CE-CB 3.91Å; D463-Q481 HydrophobicContact CB-CG 4.1Å; D463-Q481 VanDerWaalsContact CB-NE2 3.32Å; D463-Q481 VanDerWaalsContact CG-NE2 3.28Å; D463-Q481 PolarHBondContact OD2-NE2 3.12Å; Q481-V703 CarbonylContact O-C 3.59Å; Q481-V703 WeakPolarHBondContact O-CA 3.24Å; Q481-K704 HydrophobicContact CB-CB 4.23Å; Q481-K704 PolarHBondContact N-O 2.79Å; Q481-K704 PolarHBondContact O-N 3.28Å |
| 482 | V | 87.1 | Confident | 74.6 | Confident | 6 Ų | 6 | 36.9 Ų | 36.9 | 4% | 0.036 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 114.2 | 179.7 | -173.8 | 0 | 0 | 0 | 0 | 109.7 | I438 I439 Y440 M441 T480 V484 V703 | I438-V482 HydrophobicContact CG2-CG2 3.69Å; I439-V482 PolarHBondContact O-N 3.37Å; Y440-V482 WeakPolarHBondContact CA-O 3.36Å; Y440-V482 HydrophobicContact CD1-CB 3.57Å; Y440-V482 HydrophobicContact CD1-CG1 3.76Å; Y440-V482 HydrophobicContact CD1-CG2 4.11Å; Y440-V482 HydrophobicContact CE1-CB 3.79Å; Y440-V482 HydrophobicContact CE1-CG1 3.8Å; Y440-V482 HydrophobicContact CE1-CG2 3.88Å; Y440-V482 HydrophobicContact CG-CB 4.45Å; M441-V482 PolarHBondContact N-O 2.87Å; T480-V482 HydrophobicContact CG2-CG2 4.23Å; V482-V484 HydrophobicContact CG1-CG2 3.73Å; V482-V703 HydrophobicContact CG1-CG2 4.04Å; V482-V703 HydrophobicContact CG2-CG1 4.08Å; V482-V703 HydrophobicContact CG2-CG2 4.24Å |
| 483 | R | 89.1 | Confident | 76.6 | Confident | 63 Ų | 63 | 31 Ų | 31 | 24% | 0.238 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 121.3 | 169.8 | -178.1 | -177.7 | 172.4 | -109.1 | -2.6 | 109.4 | M682 P701 I702 | R483-M682 HydrophobicContact CB-CE 4.05Å; R483-P701 WeakPolarHBondContact O-CA 3.44Å; R483-I702 PolarHBondContact N-O 2.88Å; R483-I702 PolarHBondContact O-N 3.09Å |
| 484 | V | 85.5 | Confident | 78.2 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 130.6 | 179.7 | -173.5 | 0 | 0 | 0 | 0 | 109.3 | Y440 M441 W442 Q443 V482 E489 P490 L493 | Y440-V484 HydrophobicContact CD1-CG2 3.78Å; Y440-V484 HydrophobicContact CE1-CG2 4.49Å; M441-V484 PolarHBondContact O-N 3.13Å; W442-V484 CarbonylContact C-O 3.53Å; W442-V484 WeakPolarHBondContact CA-O 3.43Å; W442-V484 HydrophobicContact CB-CB 4.48Å; W442-V484 HydrophobicContact CG-CG1 4.48Å; Q443-V484 PolarHBondContact N-O 2.93Å; V482-V484 HydrophobicContact CG1-CG2 3.73Å; V484-E489 HydrophobicContact CG1-CB 4.29Å; V484-E489 HydrophobicContact CG1-CG 4.07Å; V484-P490 HydrophobicContact CG2-CG 4.2Å; V484-L493 HydrophobicContact CG1-CD2 4.14Å; V484-L493 HydrophobicContact CG2-CD2 4.21Å |
| 485 | V | 78.6 | Confident | 79.9 | Confident | 19 Ų | 19 | 20.7 Ų | 20.7 | 12% | 0.115 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 141.8 | 173.1 | -175.9 | 0 | 0 | 0 | 0 | 109 | G487 K488 R699 | V485-G487 PolarHBondContact O-N 3.2Å; V485-K488 PolarHBondContact O-N 3.18Å; V485-R699 HydrophobicContact CB-CB 3.96Å; V485-R699 HydrophobicContact CB-CG 4.27Å; V485-R699 HydrophobicContact CG1-CB 4.05Å; V485-R699 HydrophobicContact CG1-CG 3.79Å |
| 486 | Q | 79.5 | Confident | 81.7 | Confident | 14 Ų | 14 | 16.9 Ų | 16.9 | 7% | 0.065 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -44.8 | 129.7 | 178.8 | 178.3 | 169.7 | -3.2 | 0 | 0 | 113 | W442 Q443 S445 K488 E489 V504 Y505 R506 | W442-Q486 HydrophobicContact CH2-CB 3.9Å; W442-Q486 HydrophobicContact CH2-CG 4.02Å; W442-Q486 HydrophobicContact CZ2-CB 3.58Å; W442-Q486 HydrophobicContact CZ2-CG 3.74Å; Q443-Q486 PolarHBondContact O-N 2.84Å; S445-Q486 PolarHBondContact OG-OE1 2.96Å; S445-Q486 VanDerWaalsContact OG-OE1 3.11Å; Q486-K488 VanDerWaalsContact C-N 3.35Å; Q486-E489 WeakPolarHBondContact CA-OE1 3.25Å; Q486-V504 HydrophobicContact CG-CG1 3.69Å; Q486-Y505 PolarHBondContact NE2-O 2.84Å; Q486-Y505 VanDerWaalsContact NE2-O 3.08Å; Q486-R506 PolarHBondContact NE2-O 2.92Å |
| 487 | G | 66.6 | Low | 83.2 | Confident | 18 Ų | 18 | 16.6 Ų | 16.6 | 19% | 0.186 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.7 | -5.3 | 180 | 0 | 0 | 0 | 0 | 0 | 114.5 | V485 E489 R535 | V485-G487 PolarHBondContact O-N 3.2Å; G487-E489 VanDerWaalsContact CA-OE2 3.29Å; G487-E489 WeakPolarHBondContact CA-OE2 3.49Å; G487-E489 PolarHBondContact N-OE1 2.78Å; G487-E489 PolarHBondContact N-OE2 3.43Å; G487-R535 PolarHBondContact O-NH2 3.24Å |
| 488 | K | 74.4 | Confident | 83.9 | Confident | 69 Ų | 69 | 17.9 Ų | 17.9 | 30% | 0.3 | 11% | 0.112 | S | C | . | . | trans | -123.3 | 32.9 | 177.5 | -70 | -64.1 | -172.3 | 169.4 | 0 | 113.1 | V485 Q486 D697 R699 P701 | V485-K488 PolarHBondContact O-N 3.18Å; Q486-K488 VanDerWaalsContact C-N 3.35Å; K488-D697 WeakPolarHBondContact CE-OD2 3.3Å; K488-D697 IonicContact NZ-OD2 3.38Å; K488-D697 PolarHBondContact NZ-OD2 2.99Å; K488-R699 HydrophobicContact CB-CB 4.28Å; K488-R699 WeakPolarHBondContact CB-O 3.25Å; K488-R699 HydrophobicContact CG-CB 3.58Å; K488-R699 WeakPolarHBondContact CG-O 3.47Å; K488-P701 HydrophobicContact CB-CG 4.34Å; K488-P701 WeakPolarHBondContact O-CG 3.27Å | ||
| 489 | E | 81.4 | Confident | 84.4 | Confident | 9 Ų | 9 | 18.9 Ų | 18.9 | 4% | 0.042 | 13% | 0.126 | C | C | . | . | trans | -61.1 | 130.6 | -179.7 | -56.2 | 70 | -163.4 | 0 | 0 | 110.6 | W442 V484 Q486 G487 L493 M502 R535 | W442-E489 PolarHBondContact NE1-OE1 3.15Å; V484-E489 HydrophobicContact CG1-CB 4.29Å; V484-E489 HydrophobicContact CG1-CG 4.07Å; Q486-E489 WeakPolarHBondContact CA-OE1 3.25Å; G487-E489 VanDerWaalsContact CA-OE2 3.29Å; G487-E489 WeakPolarHBondContact CA-OE2 3.49Å; G487-E489 PolarHBondContact N-OE1 2.78Å; G487-E489 PolarHBondContact N-OE2 3.43Å; E489-L493 HydrophobicContact CB-CD2 4.13Å; E489-L493 HydrophobicContact CG-CD2 4.21Å; E489-M502 HydrophobicContact CB-CE 4.38Å; E489-M502 HydrophobicContact CB-SD 4.02Å; E489-M502 HydrophobicContact CG-CE 3.64Å; E489-M502 HydrophobicContact CG-SD 3.8Å; E489-R535 VanDerWaalsContact CB-NH1 3.35Å; E489-R535 PolarHBondContact O-NH1 3.14Å; E489-R535 VanDerWaalsContact OE2-CD 3.24Å; E489-R535 WeakPolarHBondContact OE2-CD 3.45Å; E489-R535 IonicContact OE2-CZ 3.33Å; E489-R535 IonicContact OE2-NE 2.61Å; E489-R535 PolarHBondContact OE2-NE 3.27Å; E489-R535 IonicContact OE2-NH1 2.6Å; E489-R535 PolarHBondContact OE2-NH1 3.04Å; E489-R535 VanDerWaalsContact OE2-NH1 3.15Å; E489-R535 IonicContact OE2-NH2 3.3Å; E489-R535 PolarHBondContact OE2-NH2 2.57Å; E489-R535 VanDerWaalsContact OE2-NH2 3.08Å | ||
| 490 | P | 80.4 | Confident | 84.8 | Confident | 14 Ų | 14 | 22.5 Ų | 22.5 | 9% | 0.091 | 14% | 0.143 | C | C | . | . | trans | -71.1 | 158.6 | -179.6 | 28.8 | -34.2 | 0 | 0 | 0 | 111.4 | Y440 V484 H492 L493 M494 | Y440-P490 HydrophobicContact CE1-CG 3.88Å; V484-P490 HydrophobicContact CG2-CG 4.2Å; P490-H492 VanDerWaalsContact C-N 3.31Å; P490-H492 PolarHBondContact O-N 3.35Å; P490-L493 HydrophobicContact CG-CB 3.87Å; P490-L493 PolarHBondContact O-N 2.99Å; P490-L493 VanDerWaalsContact O-N 3.07Å; P490-M494 PolarHBondContact O-N 3.49Å | ||
| 491 | A | 83.8 | Confident | 85.1 | Confident | 13 Ų | 13 | 22.5 Ų | 22.5 | 11% | 0.107 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -53.6 | -45.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | M388 L493 M494 N529 | M388-A491 HydrophobicContact SD-CB 4.03Å; A491-L493 PolarHBondContact O-N 3.05Å; A491-M494 WeakPolarHBondContact O-CB 3.46Å; A491-M494 PolarHBondContact O-N 2.66Å; A491-N529 HydrophobicContact CB-CB 4.18Å; A491-N529 PolarHBondContact O-ND2 3.04Å |
| 492 | H | 91.9 | Very high | 85.3 | Confident | 4 Ų | 4 | 22 Ų | 22 | 2% | 0.019 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.1 | -34.5 | 178.7 | -174 | -101.8 | 0 | 0 | 0 | 114.2 | G387 M388 V389 D390 Y427 Y440 P490 M494 S495 | G387-H492 WeakPolarHBondContact O-CB 3.45Å; G387-H492 PolarHBondContact O-N 3.27Å; M388-H492 HydrophobicContact SD-CB 4.19Å; V389-H492 WeakPolarHBondContact CG2-CE1 3.45Å; V389-H492 WeakPolarHBondContact CG2-NE2 3.47Å; D390-H492 IonicContact OD1-CD2 2.97Å; D390-H492 IonicContact OD1-CE1 2.74Å; D390-H492 IonicContact OD1-NE2 3.15Å; D390-H492 PolarHBondContact OD1-NE2 3.18Å; Y427-H492 AromaticContact CD1-CE1 3.64Å; Y427-H492 AromaticContact CE1-CE1 3.38Å; Y427-H492 WeakPolarHBondContact CE1-CE1 3.46Å; Y427-H492 AromaticContact CE1-NE2 3.71Å; Y440-H492 AromaticContact CZ-ND1 3.86Å; Y440-H492 PolarHBondContact OH-ND1 3.49Å; P490-H492 VanDerWaalsContact C-N 3.31Å; P490-H492 PolarHBondContact O-N 3.35Å; H492-M494 PolarHBondContact O-N 2.99Å; H492-S495 PolarHBondContact O-N 3.15Å; H492-S495 VanDerWaalsContact O-N 3.09Å; H492-S495 PolarHBondContact O-OG 3.1Å |
| 493 | L | 91.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.8 | -33 | 176 | 177.5 | 56.5 | 0 | 0 | 0 | 111 | I425 Y440 V484 E489 P490 A491 S495 L496 F497 M502 | I425-L493 HydrophobicContact CD1-CD1 3.53Å; Y440-L493 HydrophobicContact CD1-CB 4.36Å; Y440-L493 HydrophobicContact CD1-CD1 4.42Å; Y440-L493 HydrophobicContact CD1-CD2 4.3Å; Y440-L493 HydrophobicContact CD2-CD1 4Å; Y440-L493 HydrophobicContact CE1-CB 4.02Å; Y440-L493 HydrophobicContact CE2-CD1 4.28Å; Y440-L493 HydrophobicContact CG-CD1 4.08Å; V484-L493 HydrophobicContact CG1-CD2 4.14Å; V484-L493 HydrophobicContact CG2-CD2 4.21Å; E489-L493 HydrophobicContact CB-CD2 4.13Å; E489-L493 HydrophobicContact CG-CD2 4.21Å; P490-L493 HydrophobicContact CG-CB 3.87Å; P490-L493 PolarHBondContact O-N 2.99Å; P490-L493 VanDerWaalsContact O-N 3.07Å; A491-L493 PolarHBondContact O-N 3.05Å; L493-S495 VanDerWaalsContact C-N 3.27Å; L493-S495 PolarHBondContact O-N 3.1Å; L493-L496 HydrophobicContact CD1-CD1 3.85Å; L493-F497 WeakPolarHBondContact O-CE2 3.48Å; L493-M502 HydrophobicContact CD2-CE 3.81Å; L493-M502 HydrophobicContact CD2-SD 4.37Å; L493-M502 HydrophobicContact CG-CE 3.97Å; L493-M502 HydrophobicContact CG-SD 4.05Å |
| 494 | M | 88.9 | Confident | 85.6 | Confident | 11 Ų | 11 | 18.8 Ų | 18.8 | 5% | 0.054 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -70.8 | -21.3 | 177.8 | -60.1 | 169.1 | 43.7 | 0 | 0 | 113 | P490 A491 H492 M502 N529 H533 R535 | P490-M494 PolarHBondContact O-N 3.49Å; A491-M494 WeakPolarHBondContact O-CB 3.46Å; A491-M494 PolarHBondContact O-N 2.66Å; H492-M494 PolarHBondContact O-N 2.99Å; M494-M502 HydrophobicContact CG-SD 4.38Å; M494-N529 HydrophobicContact CE-CB 4.01Å; M494-H533 HydrophobicContact CB-CB 4.33Å; M494-H533 VanDerWaalsContact CE-O 3.3Å; M494-H533 WeakPolarHBondContact CE-O 3.45Å; M494-R535 HydrophobicContact CE-CB 3.67Å; M494-R535 HydrophobicContact CG-CB 4.13Å; M494-R535 HydrophobicContact SD-CB 3.99Å; M494-R535 PolarHBondContact SD-NH1 2.83Å |
| 495 | S | 91.5 | Very high | 85.7 | Confident | 2 Ų | 2 | 19.6 Ų | 19.6 | 1% | 0.014 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -82.5 | -14.7 | -177.8 | 66.3 | 0 | 0 | 0 | 0 | 114 | G392 H492 L493 F497 H533 | G392-S495 WeakPolarHBondContact CA-OG 3.37Å; H492-S495 PolarHBondContact O-N 3.15Å; H492-S495 VanDerWaalsContact O-N 3.09Å; H492-S495 PolarHBondContact O-OG 3.1Å; L493-S495 VanDerWaalsContact C-N 3.27Å; L493-S495 PolarHBondContact O-N 3.1Å; S495-F497 PolarHBondContact O-N 3.11Å; S495-H533 WeakPolarHBondContact CB-CD2 3.16Å; S495-H533 VanDerWaalsContact CB-NE2 3.28Å; S495-H533 WeakPolarHBondContact CB-NE2 3.35Å |
| 496 | L | 94.4 | Very high | 85.8 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -10.3 | -170.1 | -56.8 | -167.8 | 0 | 0 | 0 | 114.8 | G392 K396 I425 Y427 Y440 L493 | G392-L496 WeakPolarHBondContact O-CA 3.43Å; K396-L496 HydrophobicContact CD-CB 4.16Å; K396-L496 WeakPolarHBondContact CE-O 3.34Å; K396-L496 PolarHBondContact NZ-O 3.03Å; I425-L496 HydrophobicContact CG2-CD1 4.25Å; Y427-L496 HydrophobicContact CD1-CD2 4.34Å; Y427-L496 HydrophobicContact CD2-CD1 4.2Å; Y427-L496 HydrophobicContact CD2-CD2 3.65Å; Y427-L496 HydrophobicContact CD2-CG 4.49Å; Y427-L496 HydrophobicContact CE1-CD2 4.22Å; Y427-L496 HydrophobicContact CE2-CD2 3.54Å; Y427-L496 HydrophobicContact CG-CD1 4.4Å; Y427-L496 HydrophobicContact CG-CD2 4.05Å; Y440-L496 HydrophobicContact CD2-CD1 4.4Å; Y440-L496 HydrophobicContact CE2-CD1 4.14Å; L493-L496 HydrophobicContact CD1-CD1 3.85Å |
| 497 | F | 92.9 | Very high | 85.7 | Confident | 17 Ų | 17 | 24 Ų | 24 | 8% | 0.075 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 29.8 | -165.2 | -48.1 | -64.7 | 0 | 0 | 0 | 114.2 | I398 G415 F417 L493 S495 G499 Q500 M502 | I398-F497 HydrophobicContact CD1-CE1 4.12Å; G415-F497 VanDerWaalsContact CA-CE1 3.43Å; F417-F497 HydrophobicContact CE2-CE1 4.32Å; F417-F497 HydrophobicContact CE2-CE2 4.15Å; F417-F497 AromaticContact CE2-CZ 3.63Å; F417-F497 HydrophobicContact CE2-CZ 3.63Å; F417-F497 HydrophobicContact CZ-CE1 4.43Å; F417-F497 AromaticContact CZ-CZ 3.85Å; F417-F497 HydrophobicContact CZ-CZ 3.85Å; L493-F497 WeakPolarHBondContact O-CE2 3.48Å; S495-F497 PolarHBondContact O-N 3.11Å; F497-G499 VanDerWaalsContact C-N 3.26Å; F497-G499 PolarHBondContact O-N 3.28Å; F497-G499 VanDerWaalsContact O-N 3.17Å; F497-Q500 WeakPolarHBondContact O-CB 3.29Å; F497-Q500 PolarHBondContact O-N 3.09Å; F497-M502 HydrophobicContact CD2-CB 3.85Å; F497-M502 HydrophobicContact CD2-CG 4.26Å; F497-M502 HydrophobicContact CE2-CB 3.81Å; F497-M502 HydrophobicContact CE2-CG 3.73Å; F497-M502 HydrophobicContact CE2-SD 4.15Å |
| 498 | G | 81 | Confident | 86.7 | Confident | 78 Ų | 78 | 24.4 Ų | 24.4 | 80% | 0.804 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61 | 33.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q500 | G498-Q500 VanDerWaalsContact C-N 3.32Å; G498-Q500 PolarHBondContact O-N 3.31Å |
| 499 | G | 79.3 | Confident | 87.4 | Confident | 38 Ų | 38 | 22.1 Ų | 22.1 | 39% | 0.392 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | -1.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | F497 Q578 | F497-G499 VanDerWaalsContact C-N 3.26Å; F497-G499 PolarHBondContact O-N 3.28Å; F497-G499 VanDerWaalsContact O-N 3.17Å; G499-Q578 PolarHBondContact O-NE2 2.98Å; G499-Q578 PolarHBondContact O-OE1 2.69Å |
| 500 | Q | 90 | Very high | 87.6 | Confident | 87 Ų | 87 | 22.8 Ų | 22.8 | 41% | 0.407 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -76.2 | 150.9 | 163.5 | -65.6 | -65.2 | -53.2 | 0 | 0 | 109.9 | F497 G498 | F497-Q500 WeakPolarHBondContact O-CB 3.29Å; F497-Q500 PolarHBondContact O-N 3.09Å; G498-Q500 VanDerWaalsContact C-N 3.32Å; G498-Q500 PolarHBondContact O-N 3.31Å |
| 501 | P | 90.9 | Very high | 88 | Confident | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | P | Polyproline II helix | trans | -68.2 | 140.8 | 175.2 | 29.9 | -35.1 | 0 | 0 | 0 | 110.4 | V503 T534 Q578 L579 I582 | P501-V503 HydrophobicContact CG-CG2 4.39Å; P501-V503 PolarHBondContact O-N 2.9Å; P501-T534 VanDerWaalsContact CA-O 3.24Å; P501-T534 WeakPolarHBondContact CA-O 3.48Å; P501-T534 WeakPolarHBondContact CB-OG1 3.34Å; P501-Q578 HydrophobicContact CG-CB 4.18Å; P501-L579 HydrophobicContact CG-CB 4.35Å; P501-I582 HydrophobicContact CG-CD1 3.93Å |
| 502 | M | 93.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 121.6 | 161.1 | -177.3 | -176 | -172.6 | 0 | 0 | 108.3 | G415 F417 E489 L493 M494 F497 V504 T534 R535 A536 | G415-M502 CarbonylContact O-C 3.22Å; F417-M502 HydrophobicContact CD2-CE 3.38Å; F417-M502 HydrophobicContact CD2-CG 4.01Å; F417-M502 HydrophobicContact CE2-CE 3.42Å; F417-M502 VanDerWaalsContact CE2-CE 3.42Å; F417-M502 HydrophobicContact CE2-CG 4.03Å; F417-M502 HydrophobicContact CE2-SD 4.48Å; F417-M502 HydrophobicContact CG-CE 4.01Å; F417-M502 HydrophobicContact CZ-CE 4.08Å; E489-M502 HydrophobicContact CB-CE 4.38Å; E489-M502 HydrophobicContact CB-SD 4.02Å; E489-M502 HydrophobicContact CG-CE 3.64Å; E489-M502 HydrophobicContact CG-SD 3.8Å; L493-M502 HydrophobicContact CD2-CE 3.81Å; L493-M502 HydrophobicContact CD2-SD 4.37Å; L493-M502 HydrophobicContact CG-CE 3.97Å; L493-M502 HydrophobicContact CG-SD 4.05Å; M494-M502 HydrophobicContact CG-SD 4.38Å; F497-M502 HydrophobicContact CD2-CB 3.85Å; F497-M502 HydrophobicContact CD2-CG 4.26Å; F497-M502 HydrophobicContact CE2-CB 3.81Å; F497-M502 HydrophobicContact CE2-CG 3.73Å; F497-M502 HydrophobicContact CE2-SD 4.15Å; M502-V504 HydrophobicContact CE-CG2 4.26Å; M502-V504 HydrophobicContact CG-CG2 4.37Å; M502-T534 PolarHBondContact N-O 3.42Å; M502-R535 HydrophobicContact CB-CB 4.35Å; M502-R535 HydrophobicContact CB-CG 4.12Å; M502-R535 HydrophobicContact CG-CG 4.39Å; M502-R535 CarbonylContact O-C 3.55Å; M502-R535 VanDerWaalsContact O-CA 3.25Å; M502-R535 WeakPolarHBondContact O-CA 3.29Å; M502-R535 WeakPolarHBondContact O-CG 3.4Å; M502-R535 HydrophobicContact SD-CG 4.49Å; M502-A536 PolarHBondContact O-N 2.82Å |
| 503 | V | 94.3 | Very high | 87 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 128 | -179.8 | -170.7 | 0 | 0 | 0 | 0 | 109.5 | G415 Q416 F417 P501 Y505 F524 A536 L579 I582 | G415-V503 PolarHBondContact O-N 3.48Å; Q416-V503 WeakPolarHBondContact CA-O 3.32Å; Q416-V503 HydrophobicContact CG-CB 4.35Å; F417-V503 PolarHBondContact N-O 3.22Å; P501-V503 HydrophobicContact CG-CG2 4.39Å; P501-V503 PolarHBondContact O-N 2.9Å; V503-Y505 HydrophobicContact CG1-CD1 4.34Å; V503-Y505 HydrophobicContact CG1-CE1 3.77Å; V503-Y505 HydrophobicContact CG1-CE2 4.08Å; V503-F524 HydrophobicContact CG1-CE1 4.43Å; V503-A536 CarbonylContact C-O 3.59Å; V503-A536 WeakPolarHBondContact CA-O 3.06Å; V503-L579 HydrophobicContact CB-CD1 4.44Å; V503-L579 HydrophobicContact CG1-CD1 3.82Å; V503-L579 HydrophobicContact CG2-CD1 3.71Å; V503-I582 HydrophobicContact CG2-CD1 3.78Å; V503-I582 HydrophobicContact CG2-CG2 4.38Å |
| 504 | V | 87.3 | Confident | 86 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 105 | -179.5 | 178.2 | 0 | 0 | 0 | 0 | 108.8 | F417 W442 Q486 M502 R535 A536 V537 E538 | F417-V504 CarbonylContact O-C 3.45Å; F417-V504 WeakPolarHBondContact O-CA 3.48Å; W442-V504 HydrophobicContact CH2-CG1 4.22Å; W442-V504 HydrophobicContact CZ2-CG1 3.7Å; W442-V504 HydrophobicContact CZ2-CG2 4.4Å; Q486-V504 HydrophobicContact CG-CG1 3.69Å; M502-V504 HydrophobicContact CE-CG2 4.26Å; M502-V504 HydrophobicContact CG-CG2 4.37Å; V504-R535 HydrophobicContact CG2-CG 4.35Å; V504-A536 PolarHBondContact N-O 2.77Å; V504-V537 HydrophobicContact CB-CG2 4.35Å; V504-V537 HydrophobicContact CG1-CG1 4.49Å; V504-E538 PolarHBondContact O-N 3.02Å |
| 505 | Y | 89.3 | Confident | 85.3 | Confident | 17 Ų | 17 | 41.3 Ų | 41.3 | 7% | 0.067 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 143.9 | 174.6 | -55.7 | -71.1 | 0 | 0 | 0 | 110.3 | Q416 F417 F418 G419 Q486 V503 G507 F524 E538 L583 | Q416-Y505 HydrophobicContact CB-CE2 4.1Å; Q416-Y505 PolarHBondContact OE1-OH 3.08Å; F417-Y505 WeakPolarHBondContact O-CD2 3.37Å; F417-Y505 PolarHBondContact O-N 3.32Å; F418-Y505 AromaticContact CD1-CD2 3.74Å; F418-Y505 HydrophobicContact CD1-CD2 3.74Å; F418-Y505 HydrophobicContact CD1-CG 4.14Å; F418-Y505 AromaticContact CD2-CD2 3.97Å; F418-Y505 HydrophobicContact CD2-CD2 3.97Å; F418-Y505 HydrophobicContact CD2-CE2 4.47Å; F418-Y505 AromaticContact CE1-CD2 3.53Å; F418-Y505 HydrophobicContact CE1-CD2 3.53Å; F418-Y505 AromaticContact CE1-CE2 4Å; F418-Y505 HydrophobicContact CE1-CE2 4Å; F418-Y505 HydrophobicContact CE1-CG 4.05Å; F418-Y505 AromaticContact CE2-CD2 3.76Å; F418-Y505 HydrophobicContact CE2-CD2 3.76Å; F418-Y505 AromaticContact CE2-CE2 3.85Å; F418-Y505 HydrophobicContact CE2-CE2 3.85Å; F418-Y505 AromaticContact CG-CD2 3.96Å; F418-Y505 HydrophobicContact CG-CD2 3.96Å; F418-Y505 AromaticContact CZ-CD2 3.54Å; F418-Y505 HydrophobicContact CZ-CD2 3.54Å; F418-Y505 AromaticContact CZ-CE2 3.59Å; F418-Y505 HydrophobicContact CZ-CE2 3.59Å; F418-Y505 HydrophobicContact CZ-CG 4.46Å; G419-Y505 PolarHBondContact N-O 3.26Å; Q486-Y505 PolarHBondContact NE2-O 2.84Å; Q486-Y505 VanDerWaalsContact NE2-O 3.08Å; V503-Y505 HydrophobicContact CG1-CD1 4.34Å; V503-Y505 HydrophobicContact CG1-CE1 3.77Å; V503-Y505 HydrophobicContact CG1-CE2 4.08Å; Y505-G507 VanDerWaalsContact C-N 3.31Å; Y505-G507 PolarHBondContact O-N 3.06Å; Y505-F524 AromaticContact CD1-CE1 3.84Å; Y505-F524 HydrophobicContact CD1-CE1 3.84Å; Y505-F524 HydrophobicContact CD1-CZ 4.03Å; Y505-F524 AromaticContact CE1-CE1 3.93Å; Y505-F524 HydrophobicContact CE1-CE1 3.93Å; Y505-F524 AromaticContact CE1-CZ 4Å; Y505-F524 HydrophobicContact CE1-CZ 4Å; Y505-E538 WeakPolarHBondContact CA-OE2 3.43Å; Y505-L583 HydrophobicContact CE1-CD2 4.05Å |
| 506 | R | 79.8 | Confident | 84.3 | Confident | 109 Ų | 109 | 44.9 Ų | 44.9 | 41% | 0.411 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -65.4 | -36.9 | -172.3 | -178 | -179.3 | 172.9 | -169.9 | 16.8 | 112.3 | Q486 E538 D540 | Q486-R506 PolarHBondContact NE2-O 2.92Å; R506-E538 HydrophobicContact CB-CB 4.2Å; R506-E538 HydrophobicContact CB-CG 4.29Å; R506-E538 PolarHBondContact N-OE2 3.37Å; R506-D540 IonicContact CZ-OD1 3.9Å; R506-D540 IonicContact CZ-OD2 2.77Å; R506-D540 VanDerWaalsContact CZ-OD2 3.31Å; R506-D540 IonicContact NH1-OD1 3.89Å; R506-D540 PolarHBondContact NH1-OD1 2.67Å; R506-D540 IonicContact NH1-OD2 3.92Å; R506-D540 PolarHBondContact NH1-OD2 2.74Å; R506-D540 IonicContact NH2-OD1 3.08Å; R506-D540 PolarHBondContact NH2-OD1 3.29Å; R506-D540 IonicContact NH2-OD2 2.95Å; R506-D540 PolarHBondContact NH2-OD2 3.43Å |
| 507 | G | 77.4 | Confident | 83.4 | Confident | 18 Ų | 18 | 49.3 Ų | 49.3 | 19% | 0.186 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -147.4 | -149.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y505 | Y505-G507 VanDerWaalsContact C-N 3.31Å; Y505-G507 PolarHBondContact O-N 3.06Å |
| 508 | G | 86.5 | Confident | 82.8 | Confident | 26 Ų | 26 | 52.8 Ų | 52.8 | 27% | 0.268 | 36% | 0.355 | S | S | . | . | trans | 69.7 | -172.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G420 | G420-G508 WeakPolarHBondContact CA-O 3.3Å; G420-G508 PolarHBondContact N-O 3.3Å | ||
| 509 | T | 89.4 | Confident | 83 | Confident | 20 Ų | 20 | 52.1 Ų | 52.1 | 12% | 0.123 | 34% | 0.342 | C | S | . | . | trans | -145.5 | 150.8 | 178.7 | 176.6 | 0 | 0 | 0 | 0 | 109.9 | D421 R511 G514 | D421-T509 WeakPolarHBondContact OD1-CB 3.37Å; D421-T509 PolarHBondContact OD1-OG1 2.9Å; D421-T509 WeakPolarHBondContact OD2-CA 3.43Å; D421-T509 WeakPolarHBondContact OD2-CB 3.46Å; D421-T509 PolarHBondContact OD2-OG1 3.07Å; T509-R511 VanDerWaalsContact C-N 3.3Å; T509-R511 HydrophobicContact CG2-CB 4.12Å; T509-R511 WeakPolarHBondContact OG1-CB 3.08Å; T509-R511 WeakPolarHBondContact OG1-CD 3.42Å; T509-R511 WeakPolarHBondContact OG1-CG 3.14Å; T509-R511 PolarHBondContact OG1-N 3.43Å; T509-R511 VanDerWaalsContact OG1-N 3.12Å; T509-R511 PolarHBondContact OG1-NE 3.08Å; T509-G514 VanDerWaalsContact CG2-C 3.42Å; T509-G514 WeakPolarHBondContact CG2-O 3.33Å | ||
| 510 | S | 86.8 | Confident | 83.4 | Confident | 24 Ų | 24 | 57.9 Ų | 57.9 | 17% | 0.168 | 36% | 0.359 | C | S | . | . | trans | -87.9 | 4.9 | 171.9 | 53.4 | 0 | 0 | 0 | 0 | 113.4 | R400 D421 Y423 | R400-S510 WeakPolarHBondContact CD-OG 3.3Å; R400-S510 PolarHBondContact NH1-O 3.14Å; R400-S510 PolarHBondContact NH1-OG 3.29Å; D421-S510 PolarHBondContact OD2-N 2.86Å; D421-S510 PolarHBondContact OD2-OG 3.03Å; Y423-S510 PolarHBondContact OH-OG 2.76Å; Y423-S510 VanDerWaalsContact OH-OG 3.05Å | ||
| 511 | R | 88.6 | Confident | 83.5 | Confident | 48 Ų | 48 | 55.9 Ų | 55.9 | 18% | 0.181 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -66.5 | 142.4 | 178.7 | -70.2 | 170.9 | -151.5 | -152.3 | 1 | 113.3 | R400 I401 E402 D421 E451 T509 G513 G514 Q515 | R400-R511 VanDerWaalsContact NE-CG 3.34Å; I401-R511 PolarHBondContact O-NH2 2.95Å; E402-R511 HydrophobicContact CG-CG 4.06Å; D421-R511 IonicContact OD1-CZ 3.82Å; D421-R511 IonicContact OD1-NE 3.05Å; D421-R511 PolarHBondContact OD1-NE 3.33Å; D421-R511 IonicContact OD1-NH2 2.85Å; D421-R511 PolarHBondContact OD1-NH2 3.05Å; D421-R511 VanDerWaalsContact OD1-NH2 3.09Å; E451-R511 IonicContact OE1-CZ 3.37Å; E451-R511 IonicContact OE1-NH1 2.77Å; E451-R511 PolarHBondContact OE1-NH1 2.77Å; E451-R511 IonicContact OE1-NH2 2.79Å; E451-R511 PolarHBondContact OE1-NH2 2.81Å; E451-R511 IonicContact OE2-CZ 3.21Å; E451-R511 IonicContact OE2-NH1 2.83Å; E451-R511 IonicContact OE2-NH2 2.73Å; E451-R511 PolarHBondContact OE2-NH2 2.75Å; T509-R511 VanDerWaalsContact C-N 3.3Å; T509-R511 HydrophobicContact CG2-CB 4.12Å; T509-R511 WeakPolarHBondContact OG1-CB 3.08Å; T509-R511 WeakPolarHBondContact OG1-CD 3.42Å; T509-R511 WeakPolarHBondContact OG1-CG 3.14Å; T509-R511 PolarHBondContact OG1-N 3.43Å; T509-R511 VanDerWaalsContact OG1-N 3.12Å; T509-R511 PolarHBondContact OG1-NE 3.08Å; R511-G513 PolarHBondContact O-N 2.91Å; R511-G514 PolarHBondContact O-N 2.77Å; R511-Q515 PolarHBondContact O-NE2 3.47Å; R511-Q515 PolarHBondContact O-OE1 3.17Å |
| 512 | D | 80.8 | Confident | 83.6 | Confident | 153 Ų | 153 | 57.5 Ų | 57.5 | 82% | 0.818 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 121.2 | 172.1 | -72.4 | -18.9 | 0 | 0 | 0 | 111.1 | G514 | D512-G514 PolarHBondContact O-N 3.26Š|
| 513 | G | 73.8 | Confident | 83.5 | Confident | 80 Ų | 80 | 57.5 Ų | 57.5 | 83% | 0.825 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | 0.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | R511 | R511-G513 PolarHBondContact O-N 2.91Š|
| 514 | G | 70.1 | Confident | 83.3 | Confident | 38 Ų | 38 | 57.5 Ų | 57.5 | 39% | 0.392 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -6.2 | 177 | 0 | 0 | 0 | 0 | 0 | 114.5 | T509 R511 D512 S516 | T509-G514 VanDerWaalsContact CG2-C 3.42Å; T509-G514 WeakPolarHBondContact CG2-O 3.33Å; R511-G514 PolarHBondContact O-N 2.77Å; D512-G514 PolarHBondContact O-N 3.26Å; G514-S516 PolarHBondContact O-N 3.26Å |
| 515 | Q | 73.3 | Confident | 83.1 | Confident | 112 Ų | 112 | 58.4 Ų | 58.4 | 52% | 0.523 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 120 | -174.3 | -61.3 | 90.3 | -5.2 | 0 | 0 | 111.4 | R511 | R511-Q515 PolarHBondContact O-NE2 3.47Å; R511-Q515 PolarHBondContact O-OE1 3.17Å |
| 516 | S | 71.4 | Confident | 83 | Confident | 77 Ų | 77 | 57.6 Ų | 57.6 | 54% | 0.538 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 147.6 | 167 | 39.6 | 0 | 0 | 0 | 0 | 110.1 | G514 | G514-S516 PolarHBondContact O-N 3.26Š|
| 517 | A | 75.3 | Confident | 82.8 | Confident | 93 Ų | 93 | 56.3 Ų | 56.3 | 77% | 0.769 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 131.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 518 | P | 80.4 | Confident | 82.9 | Confident | 90 Ų | 90 | 56.3 Ų | 56.3 | 58% | 0.584 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 146.6 | 174.5 | -23.1 | 32.5 | 0 | 0 | 0 | 111 | ||
| 519 | A | 84.9 | Confident | 82.3 | Confident | 63 Ų | 63 | 56 Ų | 56 | 52% | 0.521 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 145.7 | 171 | 0 | 0 | 0 | 0 | 0 | 110.5 | T521 R522 | A519-T521 VanDerWaalsContact C-N 3.26Å; A519-T521 PolarHBondContact O-N 3.06Å; A519-R522 HydrophobicContact CB-CG 4.09Å; A519-R522 WeakPolarHBondContact O-CG 3.23Å |
| 520 | E | 87.4 | Confident | 81.4 | Confident | 159 Ų | 159 | 58.4 Ų | 58.4 | 74% | 0.743 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -61.2 | -36.2 | -179.8 | -71.2 | -172.8 | 167 | 0 | 0 | 112.3 | P557 | E520-P557 HydrophobicContact CB-CG 4.05Å; E520-P557 WeakPolarHBondContact O-CD 3.47Å |
| 521 | T | 93.4 | Very high | 80.8 | Confident | 45 Ų | 45 | 58.1 Ų | 58.1 | 28% | 0.276 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -119.2 | 126 | 174.7 | -54.2 | 0 | 0 | 0 | 0 | 110.3 | A519 A541 L554 V555 | A519-T521 VanDerWaalsContact C-N 3.26Å; A519-T521 PolarHBondContact O-N 3.06Å; T521-A541 HydrophobicContact CG2-CB 3.88Å; T521-L554 HydrophobicContact CG2-CD1 3.8Å; T521-V555 CarbonylContact C-O 3.58Å; T521-V555 VanDerWaalsContact CA-O 3.22Å; T521-V555 WeakPolarHBondContact CA-O 3.44Å |
| 522 | R | 93.2 | Very high | 80.5 | Confident | 36 Ų | 36 | 57.5 Ų | 57.5 | 14% | 0.136 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 136.4 | -176.9 | -62.9 | -177.5 | -68 | 163.4 | 1.6 | 110.4 | A519 F524 E538 L554 V555 | A519-R522 HydrophobicContact CB-CG 4.09Å; A519-R522 WeakPolarHBondContact O-CG 3.23Å; R522-F524 HydrophobicContact CB-CD2 4.44Å; R522-F524 HydrophobicContact CB-CE2 3.74Å; R522-F524 HydrophobicContact CB-CZ 4.43Å; R522-E538 WeakPolarHBondContact CD-OE1 3.49Å; R522-E538 VanDerWaalsContact CG-OE1 3.31Å; R522-E538 WeakPolarHBondContact CG-OE1 3.49Å; R522-L554 WeakPolarHBondContact O-CA 3.38Å; R522-V555 PolarHBondContact N-O 3.21Å; R522-V555 PolarHBondContact O-N 3.48Å |
| 523 | L | 89.8 | Confident | 80.8 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 126.9 | 177 | 179.7 | 66.7 | 0 | 0 | 0 | 109.3 | E538 L539 A541 N545 F552 L554 L604 | L523-E538 CarbonylContact O-C 3.49Å; L523-E538 WeakPolarHBondContact O-CA 3.2Å; L523-L539 PolarHBondContact O-N 3.29Å; L523-A541 HydrophobicContact CB-CB 4.05Å; L523-N545 HydrophobicContact CD2-CB 4.31Å; L523-F552 HydrophobicContact CD1-CB 4.18Å; L523-F552 HydrophobicContact CD1-CD1 3.85Å; L523-F552 HydrophobicContact CD1-CG 4.47Å; L523-F552 HydrophobicContact CD2-CD1 4.28Å; L523-F552 HydrophobicContact CD2-CE1 4.5Å; L523-F552 HydrophobicContact CG-CD1 4.03Å; L523-L554 HydrophobicContact CB-CD1 4.36Å; L523-L554 HydrophobicContact CD1-CB 4.22Å; L523-L554 HydrophobicContact CD1-CD1 4.28Å; L523-L604 HydrophobicContact CD1-CD2 4.38Å; L523-L604 HydrophobicContact CD2-CD2 4.07Å |
| 524 | F | 89.7 | Confident | 81.4 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 128.9 | 176.1 | -65.6 | -94.8 | 0 | 0 | 0 | 110.2 | V503 Y505 R522 V537 E538 F552 V553 L579 L583 | V503-F524 HydrophobicContact CG1-CE1 4.43Å; Y505-F524 AromaticContact CD1-CE1 3.84Å; Y505-F524 HydrophobicContact CD1-CE1 3.84Å; Y505-F524 HydrophobicContact CD1-CZ 4.03Å; Y505-F524 AromaticContact CE1-CE1 3.93Å; Y505-F524 HydrophobicContact CE1-CE1 3.93Å; Y505-F524 AromaticContact CE1-CZ 4Å; Y505-F524 HydrophobicContact CE1-CZ 4Å; R522-F524 HydrophobicContact CB-CD2 4.44Å; R522-F524 HydrophobicContact CB-CE2 3.74Å; R522-F524 HydrophobicContact CB-CZ 4.43Å; F524-V537 CarbonylContact C-O 3.54Å; F524-V537 WeakPolarHBondContact CA-O 3.46Å; F524-E538 HydrophobicContact CD1-CB 3.84Å; F524-E538 HydrophobicContact CD1-CG 4.35Å; F524-E538 HydrophobicContact CE1-CB 3.57Å; F524-E538 HydrophobicContact CE1-CG 3.91Å; F524-E538 HydrophobicContact CZ-CB 4.18Å; F524-E538 HydrophobicContact CZ-CG 3.99Å; F524-F552 CarbonylContact O-C 3.47Å; F524-F552 WeakPolarHBondContact O-CA 3.46Å; F524-V553 HydrophobicContact CB-CB 4.4Å; F524-V553 PolarHBondContact N-O 2.75Å; F524-V553 PolarHBondContact O-N 2.83Å; F524-L579 HydrophobicContact CB-CD2 3.54Å; F524-L579 HydrophobicContact CD1-CD2 4.2Å; F524-L579 HydrophobicContact CD2-CD2 4.39Å; F524-L579 HydrophobicContact CG-CD2 3.81Å; F524-L583 HydrophobicContact CD2-CD1 4.05Å; F524-L583 HydrophobicContact CE2-CD1 3.77Å; F524-L583 HydrophobicContact CE2-CD2 4.38Å; F524-L583 HydrophobicContact CZ-CD1 4.25Å; F524-L583 HydrophobicContact CZ-CD2 4.11Å |
| 525 | Q | 84.4 | Confident | 82.2 | Confident | 19 Ų | 19 | 47.5 Ų | 47.5 | 9% | 0.089 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 125.2 | 170.3 | -179.5 | -177.9 | 39.8 | 0 | 0 | 109.8 | R527 A536 V537 L539 D550 F552 | Q525-R527 HydrophobicContact CG-CG 4.16Å; Q525-A536 CarbonylContact O-C 3.44Å; Q525-A536 WeakPolarHBondContact O-CA 3.27Å; Q525-V537 PolarHBondContact N-O 3.01Å; Q525-V537 PolarHBondContact O-N 3.12Å; Q525-L539 HydrophobicContact CB-CD1 3.72Å; Q525-L539 HydrophobicContact CB-CG 4.34Å; Q525-D550 HydrophobicContact CG-CB 4.24Å; Q525-D550 PolarHBondContact NE2-OD2 2.77Å; Q525-F552 HydrophobicContact CB-CD1 3.92Å; Q525-F552 HydrophobicContact CB-CE1 3.49Å; Q525-F552 VanDerWaalsContact CB-CE1 3.49Å; Q525-F552 HydrophobicContact CB-CZ 3.92Å; Q525-F552 HydrophobicContact CG-CD1 4.38Å; Q525-F552 HydrophobicContact CG-CE1 3.72Å; Q525-F552 HydrophobicContact CG-CE2 4.13Å; Q525-F552 HydrophobicContact CG-CZ 3.57Å |
| 526 | V | 86.1 | Confident | 83 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 118 | -179.5 | -172.7 | 0 | 0 | 0 | 0 | 110.2 | T534 R535 A536 A551 E572 A576 L579 | V526-T534 HydrophobicContact CG1-CG2 4.38Å; V526-R535 WeakPolarHBondContact CA-O 3.25Å; V526-A536 HydrophobicContact CG2-CB 4.11Å; V526-A551 WeakPolarHBondContact CA-O 3.37Å; V526-A551 HydrophobicContact CB-CB 4.4Å; V526-A551 PolarHBondContact N-O 3.34Å; V526-A551 PolarHBondContact O-N 3.25Å; V526-E572 WeakPolarHBondContact CG1-O 3.16Å; V526-A576 HydrophobicContact CB-CB 4.27Å; V526-A576 HydrophobicContact CG1-CB 4.44Å; V526-A576 HydrophobicContact CG2-CB 3.89Å; V526-L579 HydrophobicContact CG2-CD2 4.08Å |
| 527 | R | 76.3 | Confident | 83.3 | Confident | 82 Ų | 82 | 39 Ų | 39 | 31% | 0.309 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 142.6 | -177.9 | -75.1 | -174.8 | -71.9 | 172.6 | -4.9 | 112.1 | Q525 T534 R535 D550 E572 | Q525-R527 HydrophobicContact CG-CG 4.16Å; R527-T534 CarbonylContact O-C 3.55Å; R527-T534 VanDerWaalsContact O-CA 3.26Å; R527-T534 WeakPolarHBondContact O-CA 3.28Å; R527-R535 PolarHBondContact N-O 2.99Å; R527-R535 PolarHBondContact O-N 2.86Å; R527-D550 HydrophobicContact CG-CB 3.91Å; R527-D550 VanDerWaalsContact CG-CG 3.46Å; R527-D550 WeakPolarHBondContact CG-OD1 3.35Å; R527-E572 WeakPolarHBondContact CA-OE1 3.43Å |
| 528 | S | 79 | Confident | 83.8 | Confident | 17 Ų | 17 | 36.1 Ų | 36.1 | 12% | 0.119 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 145 | 172.6 | 63.9 | 0 | 0 | 0 | 0 | 112.8 | H533 S569 E572 R615 | S528-H533 WeakPolarHBondContact CA-O 3.37Å; S528-S569 PolarHBondContact OG-OG 3.23Å; S528-E572 VanDerWaalsContact N-CG 3.3Å; S528-E572 PolarHBondContact N-OE1 2.93Å; S528-E572 PolarHBondContact OG-OE1 2.69Å; S528-R615 PolarHBondContact O-NH1 2.82Å; S528-R615 PolarHBondContact O-NH2 2.84Å |
| 529 | N | 74.4 | Confident | 83.7 | Confident | 21 Ų | 21 | 33.9 Ų | 33.9 | 11% | 0.112 | 19% | 0.191 | C | C | . | . | trans | -86.3 | 176 | 166.4 | 72.7 | 10.9 | 0 | 0 | 0 | 110.9 | A491 M494 A531 G532 H533 | A491-N529 HydrophobicContact CB-CB 4.18Å; A491-N529 PolarHBondContact O-ND2 3.04Å; M494-N529 HydrophobicContact CE-CB 4.01Å; N529-A531 PolarHBondContact O-N 3.21Å; N529-A531 WeakPolarHBondContact OD1-CA 3.49Å; N529-A531 WeakPolarHBondContact OD1-CB 3.33Å; N529-A531 PolarHBondContact OD1-N 3.23Å; N529-G532 PolarHBondContact O-N 3.07Å; N529-G532 VanDerWaalsContact O-N 3.14Å; N529-G532 PolarHBondContact OD1-N 2.91Å; N529-H533 PolarHBondContact N-O 3.13Å; N529-H533 PolarHBondContact OD1-N 3.13Å; N529-H533 PolarHBondContact OD1-O 2.89Å | ||
| 530 | S | 70.3 | Confident | 83.3 | Confident | 69 Ų | 69 | 34.4 Ų | 34.4 | 48% | 0.483 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -19.7 | 179.3 | 53.4 | 0 | 0 | 0 | 0 | 114.1 | H386 G532 | H386-S530 PolarHBondContact ND1-OG 3.47Å; H386-S530 VanDerWaalsContact ND1-OG 3.11Å; S530-G532 VanDerWaalsContact C-N 3.3Å |
| 531 | A | 75.4 | Confident | 83.3 | Confident | 18 Ų | 18 | 28.1 Ų | 28.1 | 15% | 0.149 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -0.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | F371 M388 N529 | F371-A531 HydrophobicContact CD1-CB 3.93Å; F371-A531 HydrophobicContact CD2-CB 4.18Å; F371-A531 HydrophobicContact CE1-CB 3.46Å; F371-A531 VanDerWaalsContact CE1-CB 3.46Å; F371-A531 HydrophobicContact CE2-CB 3.76Å; F371-A531 HydrophobicContact CG-CB 4.26Å; F371-A531 HydrophobicContact CZ-CB 3.37Å; M388-A531 HydrophobicContact CE-CB 3.93Å; M388-A531 HydrophobicContact CG-CB 4.25Å; M388-A531 HydrophobicContact SD-CB 4.04Å; N529-A531 PolarHBondContact O-N 3.21Å; N529-A531 WeakPolarHBondContact OD1-CA 3.49Å; N529-A531 WeakPolarHBondContact OD1-CB 3.33Å; N529-A531 PolarHBondContact OD1-N 3.23Å |
| 532 | G | 80.6 | Confident | 82.7 | Confident | 35 Ų | 35 | 28.8 Ų | 28.8 | 36% | 0.361 | 16% | 0.164 | S | C | . | . | S | Bend | trans | 81.5 | 11.2 | 179 | 0 | 0 | 0 | 0 | 0 | 114.8 | N529 S530 T571 | N529-G532 PolarHBondContact O-N 3.07Å; N529-G532 VanDerWaalsContact O-N 3.14Å; N529-G532 PolarHBondContact OD1-N 2.91Å; S530-G532 VanDerWaalsContact C-N 3.3Å; G532-T571 WeakPolarHBondContact O-CG2 3.46Å |
| 533 | H | 87.1 | Confident | 81.9 | Confident | 38 Ų | 38 | 27.2 Ų | 27.2 | 18% | 0.176 | 16% | 0.159 | C | C | . | . | trans | -88.3 | 144.8 | 172.4 | -55.5 | -76.1 | 0 | 0 | 0 | 110.9 | M494 S495 S528 N529 | M494-H533 HydrophobicContact CB-CB 4.33Å; M494-H533 VanDerWaalsContact CE-O 3.3Å; M494-H533 WeakPolarHBondContact CE-O 3.45Å; S495-H533 WeakPolarHBondContact CB-CD2 3.16Å; S495-H533 VanDerWaalsContact CB-NE2 3.28Å; S495-H533 WeakPolarHBondContact CB-NE2 3.35Å; S528-H533 WeakPolarHBondContact CA-O 3.37Å; N529-H533 PolarHBondContact N-O 3.13Å; N529-H533 PolarHBondContact OD1-N 3.13Å; N529-H533 PolarHBondContact OD1-O 2.89Å | ||
| 534 | T | 87.2 | Confident | 81.1 | Confident | 6 Ų | 6 | 30.4 Ų | 30.4 | 4% | 0.037 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 149.7 | -174.5 | 48.8 | 0 | 0 | 0 | 0 | 113.3 | P501 M502 V526 R527 T571 | P501-T534 VanDerWaalsContact CA-O 3.24Å; P501-T534 WeakPolarHBondContact CA-O 3.48Å; P501-T534 WeakPolarHBondContact CB-OG1 3.34Å; M502-T534 PolarHBondContact N-O 3.42Å; V526-T534 HydrophobicContact CG1-CG2 4.38Å; R527-T534 CarbonylContact O-C 3.55Å; R527-T534 VanDerWaalsContact O-CA 3.26Å; R527-T534 WeakPolarHBondContact O-CA 3.28Å; T534-T571 HydrophobicContact CG2-CG2 3.88Å; T534-T571 WeakPolarHBondContact CG2-O 3.34Å |
| 535 | R | 86.4 | Confident | 80.2 | Confident | 18 Ų | 18 | 33 Ų | 33 | 7% | 0.068 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 132.7 | 169.2 | -177.5 | 179.1 | 76.7 | -145.9 | 22.1 | 109.8 | G487 E489 M494 M502 V504 V526 R527 V537 | G487-R535 PolarHBondContact O-NH2 3.24Å; E489-R535 VanDerWaalsContact CB-NH1 3.35Å; E489-R535 PolarHBondContact O-NH1 3.14Å; E489-R535 VanDerWaalsContact OE2-CD 3.24Å; E489-R535 WeakPolarHBondContact OE2-CD 3.45Å; E489-R535 IonicContact OE2-CZ 3.33Å; E489-R535 IonicContact OE2-NE 2.61Å; E489-R535 PolarHBondContact OE2-NE 3.27Å; E489-R535 IonicContact OE2-NH1 2.6Å; E489-R535 PolarHBondContact OE2-NH1 3.04Å; E489-R535 VanDerWaalsContact OE2-NH1 3.15Å; E489-R535 IonicContact OE2-NH2 3.3Å; E489-R535 PolarHBondContact OE2-NH2 2.57Å; E489-R535 VanDerWaalsContact OE2-NH2 3.08Å; M494-R535 HydrophobicContact CE-CB 3.67Å; M494-R535 HydrophobicContact CG-CB 4.13Å; M494-R535 HydrophobicContact SD-CB 3.99Å; M494-R535 PolarHBondContact SD-NH1 2.83Å; M502-R535 HydrophobicContact CB-CB 4.35Å; M502-R535 HydrophobicContact CB-CG 4.12Å; M502-R535 HydrophobicContact CG-CG 4.39Å; M502-R535 CarbonylContact O-C 3.55Å; M502-R535 VanDerWaalsContact O-CA 3.25Å; M502-R535 WeakPolarHBondContact O-CA 3.29Å; M502-R535 WeakPolarHBondContact O-CG 3.4Å; M502-R535 HydrophobicContact SD-CG 4.49Å; V504-R535 HydrophobicContact CG2-CG 4.35Å; V526-R535 WeakPolarHBondContact CA-O 3.25Å; R527-R535 PolarHBondContact N-O 2.99Å; R527-R535 PolarHBondContact O-N 2.86Å; R535-V537 HydrophobicContact CG-CG2 3.97Å |
| 536 | A | 89.9 | Confident | 79.8 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 117.7 | 173 | 0 | 0 | 0 | 0 | 0 | 109.7 | M502 V503 V504 Q525 V526 L579 | M502-A536 PolarHBondContact O-N 2.82Å; V503-A536 CarbonylContact C-O 3.59Å; V503-A536 WeakPolarHBondContact CA-O 3.06Å; V504-A536 PolarHBondContact N-O 2.77Å; Q525-A536 CarbonylContact O-C 3.44Å; Q525-A536 WeakPolarHBondContact O-CA 3.27Å; V526-A536 HydrophobicContact CG2-CB 4.11Å; A536-L579 HydrophobicContact CB-CD1 3.86Å; A536-L579 HydrophobicContact CB-CD2 3.6Å; A536-L579 HydrophobicContact CB-CG 4.21Å |
| 537 | V | 77.8 | Confident | 79.1 | Confident | 10 Ų | 10 | 33.1 Ų | 33.1 | 6% | 0.061 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 126.6 | 178.2 | -175.4 | 0 | 0 | 0 | 0 | 109.3 | V504 F524 Q525 R535 L539 | V504-V537 HydrophobicContact CB-CG2 4.35Å; V504-V537 HydrophobicContact CG1-CG1 4.49Å; F524-V537 CarbonylContact C-O 3.54Å; F524-V537 WeakPolarHBondContact CA-O 3.46Å; Q525-V537 PolarHBondContact N-O 3.01Å; Q525-V537 PolarHBondContact O-N 3.12Å; R535-V537 HydrophobicContact CG-CG2 3.97Å; V537-L539 HydrophobicContact CG1-CD2 4.3Å |
| 538 | E | 86.6 | Confident | 79.1 | Confident | 32 Ų | 32 | 29.5 Ų | 29.5 | 15% | 0.15 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 132.9 | 173.7 | -167.4 | 175.8 | -163.3 | 0 | 0 | 111.1 | V504 Y505 R506 R522 L523 F524 | V504-E538 PolarHBondContact O-N 3.02Å; Y505-E538 WeakPolarHBondContact CA-OE2 3.43Å; R506-E538 HydrophobicContact CB-CB 4.2Å; R506-E538 HydrophobicContact CB-CG 4.29Å; R506-E538 PolarHBondContact N-OE2 3.37Å; R522-E538 WeakPolarHBondContact CD-OE1 3.49Å; R522-E538 VanDerWaalsContact CG-OE1 3.31Å; R522-E538 WeakPolarHBondContact CG-OE1 3.49Å; L523-E538 CarbonylContact O-C 3.49Å; L523-E538 WeakPolarHBondContact O-CA 3.2Å; F524-E538 HydrophobicContact CD1-CB 3.84Å; F524-E538 HydrophobicContact CD1-CG 4.35Å; F524-E538 HydrophobicContact CE1-CB 3.57Å; F524-E538 HydrophobicContact CE1-CG 3.91Å; F524-E538 HydrophobicContact CZ-CB 4.18Å; F524-E538 HydrophobicContact CZ-CG 3.99Å |
| 539 | L | 77.9 | Confident | 78.4 | Confident | 44 Ų | 44 | 29.4 Ų | 29.4 | 23% | 0.23 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 167.9 | -178.7 | -58.3 | -179.4 | 0 | 0 | 0 | 110.5 | L523 Q525 V537 A541 N545 F552 | L523-L539 PolarHBondContact O-N 3.29Å; Q525-L539 HydrophobicContact CB-CD1 3.72Å; Q525-L539 HydrophobicContact CB-CG 4.34Å; V537-L539 HydrophobicContact CG1-CD2 4.3Å; L539-A541 PolarHBondContact O-N 3.05Å; L539-N545 HydrophobicContact CD1-CB 4.19Å; L539-F552 HydrophobicContact CD1-CE1 4.18Å |
| 540 | D | 77.4 | Confident | 78.4 | Confident | 74 Ų | 74 | 28.6 Ų | 28.6 | 40% | 0.396 | 18% | 0.178 | S | C | . | . | trans | -56.3 | 129.7 | 162.6 | -75 | -67.6 | 0 | 0 | 0 | 109.9 | R506 V542 N545 | R506-D540 IonicContact CZ-OD1 3.9Å; R506-D540 IonicContact CZ-OD2 2.77Å; R506-D540 VanDerWaalsContact CZ-OD2 3.31Å; R506-D540 IonicContact NH1-OD1 3.89Å; R506-D540 PolarHBondContact NH1-OD1 2.67Å; R506-D540 IonicContact NH1-OD2 3.92Å; R506-D540 PolarHBondContact NH1-OD2 2.74Å; R506-D540 IonicContact NH2-OD1 3.08Å; R506-D540 PolarHBondContact NH2-OD1 3.29Å; R506-D540 IonicContact NH2-OD2 2.95Å; R506-D540 PolarHBondContact NH2-OD2 3.43Å; D540-V542 HydrophobicContact CB-CG2 4.15Å; D540-V542 PolarHBondContact O-N 2.66Å; D540-N545 PolarHBondContact O-ND2 3.37Å | ||
| 541 | A | 87.3 | Confident | 79.3 | Confident | 27 Ų | 27 | 25.3 Ų | 25.3 | 22% | 0.223 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -76.1 | 67.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | T521 L523 L539 L604 | T521-A541 HydrophobicContact CG2-CB 3.88Å; L523-A541 HydrophobicContact CB-CB 4.05Å; L539-A541 PolarHBondContact O-N 3.05Å; A541-L604 HydrophobicContact CB-CD2 4.34Å |
| 542 | V | 79.4 | Confident | 80.1 | Confident | 58 Ų | 58 | 24.5 Ų | 24.5 | 35% | 0.352 | 15% | 0.148 | S | C | . | . | trans | -129.9 | 144 | 178.2 | -64.5 | 0 | 0 | 0 | 0 | 111 | D540 S544 N545 L604 | D540-V542 HydrophobicContact CB-CG2 4.15Å; D540-V542 PolarHBondContact O-N 2.66Å; V542-S544 PolarHBondContact O-N 2.73Å; V542-S544 VanDerWaalsContact O-N 3.17Å; V542-N545 HydrophobicContact CG2-CB 4.33Å; V542-N545 WeakPolarHBondContact CG2-ND2 3.19Å; V542-N545 WeakPolarHBondContact O-CB 3.5Å; V542-N545 PolarHBondContact O-N 2.83Å; V542-N545 VanDerWaalsContact O-N 3.09Å; V542-L604 WeakPolarHBondContact CA-O 3.39Å | ||
| 543 | A | 77 | Confident | 80.8 | Confident | 3 Ų | 3 | 22.8 Ų | 22.8 | 3% | 0.025 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -58.8 | -32.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | N545 L546 W601 L604 G606 A608 Y610 | A543-N545 PolarHBondContact O-N 3.06Å; A543-N545 VanDerWaalsContact O-N 3.11Å; A543-L546 WeakPolarHBondContact O-CB 3.28Å; A543-L546 PolarHBondContact O-N 3.21Å; A543-L546 VanDerWaalsContact O-N 3.13Å; A543-W601 HydrophobicContact CB-CE3 4Å; A543-W601 HydrophobicContact CB-CZ3 3.75Å; A543-L604 HydrophobicContact CB-CB 4.19Å; A543-L604 PolarHBondContact N-O 3.03Å; A543-G606 WeakPolarHBondContact CB-O 3.4Å; A543-A608 HydrophobicContact CB-CB 3.95Å; A543-Y610 WeakPolarHBondContact O-CB 3.31Å |
| 544 | S | 71.9 | Confident | 81.2 | Confident | 68 Ų | 68 | 21.2 Ų | 21.2 | 48% | 0.476 | 12% | 0.123 | S | C | . | . | G | 310 helix | trans | -65.5 | -12.8 | 179.6 | 58 | 0 | 0 | 0 | 0 | 114.5 | V542 E609 | V542-S544 PolarHBondContact O-N 2.73Å; V542-S544 VanDerWaalsContact O-N 3.17Å; S544-E609 WeakPolarHBondContact CA-O 3.33Å |
| 545 | N | 72.2 | Confident | 81.5 | Confident | 55 Ų | 55 | 21.6 Ų | 21.6 | 29% | 0.294 | 13% | 0.126 | S | C | . | . | G | 310 helix | trans | -87.4 | -5.9 | 176.7 | -76.5 | -19 | 0 | 0 | 0 | 113.8 | L523 L539 D540 V542 A543 F552 | L523-N545 HydrophobicContact CD2-CB 4.31Å; L539-N545 HydrophobicContact CD1-CB 4.19Å; D540-N545 PolarHBondContact O-ND2 3.37Å; V542-N545 HydrophobicContact CG2-CB 4.33Å; V542-N545 WeakPolarHBondContact CG2-ND2 3.19Å; V542-N545 WeakPolarHBondContact O-CB 3.5Å; V542-N545 PolarHBondContact O-N 2.83Å; V542-N545 VanDerWaalsContact O-N 3.09Å; A543-N545 PolarHBondContact O-N 3.06Å; A543-N545 VanDerWaalsContact O-N 3.11Å; N545-F552 WeakPolarHBondContact O-CE1 3.49Å; N545-F552 WeakPolarHBondContact O-CZ 3.44Å |
| 546 | L | 76.1 | Confident | 81.8 | Confident | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | trans | -66 | 155.9 | 174.2 | -66.8 | 176.7 | 0 | 0 | 0 | 111.7 | A543 F552 W563 F600 W601 L604 Y610 R611 | A543-L546 WeakPolarHBondContact O-CB 3.28Å; A543-L546 PolarHBondContact O-N 3.21Å; A543-L546 VanDerWaalsContact O-N 3.13Å; L546-F552 HydrophobicContact CD2-CB 4.28Å; L546-F552 HydrophobicContact CD2-CD1 3.84Å; L546-F552 HydrophobicContact CD2-CD2 4.07Å; L546-F552 HydrophobicContact CD2-CE1 4.1Å; L546-F552 HydrophobicContact CD2-CE2 4.35Å; L546-F552 HydrophobicContact CD2-CG 3.81Å; L546-F552 HydrophobicContact CD2-CZ 4.36Å; L546-W563 HydrophobicContact CB-CH2 4.39Å; L546-W563 HydrophobicContact CD1-CZ2 4.43Å; L546-W563 HydrophobicContact CD2-CD2 4.34Å; L546-W563 HydrophobicContact CD2-CE3 4.16Å; L546-W563 HydrophobicContact CD2-CZ3 4.4Å; L546-F600 HydrophobicContact CD1-CE1 4.09Å; L546-F600 HydrophobicContact CD1-CZ 4.25Å; L546-W601 HydrophobicContact CD1-CH2 3.84Å; L546-W601 HydrophobicContact CD1-CZ3 3.77Å; L546-L604 HydrophobicContact CD1-CD1 4.12Å; L546-Y610 HydrophobicContact CB-CD1 4.32Å; L546-Y610 HydrophobicContact CB-CD2 3.83Å; L546-Y610 HydrophobicContact CB-CE2 4.45Å; L546-Y610 HydrophobicContact CB-CG 3.78Å; L546-Y610 WeakPolarHBondContact O-CB 3.35Å; L546-R611 PolarHBondContact O-N 2.95Å | ||
| 547 | N | 70.2 | Confident | 81.7 | Confident | 18 Ų | 18 | 26.1 Ų | 26.1 | 10% | 0.096 | 16% | 0.158 | C | C | . | . | B | Isolated β-bridge | trans | -147.9 | 120.3 | 177.9 | -176.5 | 2.1 | 0 | 0 | 0 | 110.3 | N549 D550 F552 W563 R611 | N547-N549 PolarHBondContact O-N 3.47Å; N547-N549 PolarHBondContact OD1-N 3.27Å; N547-N549 PolarHBondContact OD1-ND2 3.33Å; N547-D550 WeakPolarHBondContact CB-OD2 3.5Å; N547-D550 VanDerWaalsContact CG-OD2 3.31Å; N547-D550 PolarHBondContact ND2-OD2 3.09Å; N547-D550 PolarHBondContact O-N 2.79Å; N547-D550 VanDerWaalsContact O-N 3.08Å; N547-F552 HydrophobicContact CB-CE2 4.12Å; N547-F552 HydrophobicContact CB-CZ 4.07Å; N547-W563 WeakPolarHBondContact O-CZ3 3.47Å; N547-R611 CarbonylContact C-O 3.46Å; N547-R611 VanDerWaalsContact CA-O 3.29Å; N547-R611 WeakPolarHBondContact CA-O 3.4Å; N547-R611 PolarHBondContact OD1-O 3.38Å |
| 548 | S | 77.8 | Confident | 82 | Confident | 7 Ų | 7 | 31.5 Ų | 31.5 | 5% | 0.049 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -15.5 | -178.6 | -51.5 | 0 | 0 | 0 | 0 | 114.3 | G565 V566 G567 A568 E593 R611 T612 | S548-G565 CarbonylContact O-C 3.5Å; S548-G565 VanDerWaalsContact O-CA 3.26Å; S548-G565 WeakPolarHBondContact O-CA 3.11Å; S548-V566 PolarHBondContact O-N 3.14Å; S548-G567 VanDerWaalsContact O-CA 3.29Å; S548-G567 WeakPolarHBondContact O-CA 3.38Å; S548-G567 PolarHBondContact O-N 2.98Å; S548-A568 PolarHBondContact O-N 3.12Å; S548-E593 WeakPolarHBondContact CA-OE2 3.4Å; S548-E593 WeakPolarHBondContact CB-OE2 3.08Å; S548-E593 PolarHBondContact OG-OE1 2.87Å; S548-E593 PolarHBondContact OG-OE2 2.84Å; S548-R611 PolarHBondContact N-O 2.97Å; S548-R611 PolarHBondContact OG-O 2.99Å; S548-T612 VanDerWaalsContact OG-CA 3.31Å; S548-T612 WeakPolarHBondContact OG-CA 3.24Å; S548-T612 VanDerWaalsContact OG-CG2 3.31Å; S548-T612 WeakPolarHBondContact OG-CG2 3.37Å |
| 549 | N | 64.1 | Low | 82.1 | Confident | 15 Ų | 15 | 31.3 Ų | 31.3 | 8% | 0.08 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -9.9 | 179.4 | -58.9 | -84.6 | 0 | 0 | 0 | 114.3 | N547 A568 S613 R615 | N547-N549 PolarHBondContact O-N 3.47Å; N547-N549 PolarHBondContact OD1-N 3.27Å; N547-N549 PolarHBondContact OD1-ND2 3.33Å; N549-A568 WeakPolarHBondContact O-CA 3.12Å; N549-S613 PolarHBondContact ND2-O 3.06Å; N549-S613 PolarHBondContact OD1-O 3.44Å; N549-R615 PolarHBondContact OD1-N 2.97Å |
| 550 | D | 74.9 | Confident | 82.8 | Confident | 3 Ų | 3 | 29.4 Ų | 29.4 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -129.8 | 162.4 | -166.1 | -43.9 | -47.1 | 0 | 0 | 0 | 110.2 | Q525 R527 N547 F552 G565 | Q525-D550 HydrophobicContact CG-CB 4.24Å; Q525-D550 PolarHBondContact NE2-OD2 2.77Å; R527-D550 HydrophobicContact CG-CB 3.91Å; R527-D550 VanDerWaalsContact CG-CG 3.46Å; R527-D550 WeakPolarHBondContact CG-OD1 3.35Å; N547-D550 WeakPolarHBondContact CB-OD2 3.5Å; N547-D550 VanDerWaalsContact CG-OD2 3.31Å; N547-D550 PolarHBondContact ND2-OD2 3.09Å; N547-D550 PolarHBondContact O-N 2.79Å; N547-D550 VanDerWaalsContact O-N 3.08Å; D550-F552 HydrophobicContact CB-CE2 3.97Å; D550-G565 PolarHBondContact O-N 2.89Å |
| 551 | A | 88.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 153.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | V526 W563 E572 A576 | V526-A551 WeakPolarHBondContact CA-O 3.37Å; V526-A551 HydrophobicContact CB-CB 4.4Å; V526-A551 PolarHBondContact N-O 3.34Å; V526-A551 PolarHBondContact O-N 3.25Å; A551-W563 CarbonylContact C-O 3.49Å; A551-W563 WeakPolarHBondContact CA-O 3.45Å; A551-E572 HydrophobicContact CB-CB 3.94Å; A551-A576 HydrophobicContact CB-CB 4.21Å |
| 552 | F | 90.9 | Very high | 84.1 | Confident | 1 Ų | 1 | 25.5 Ų | 25.5 | 0% | 0.004 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 148.7 | -180 | -72.5 | -106.2 | 0 | 0 | 0 | 111.7 | L523 F524 Q525 L539 N545 L546 N547 D550 L562 W563 | L523-F552 HydrophobicContact CD1-CB 4.18Å; L523-F552 HydrophobicContact CD1-CD1 3.85Å; L523-F552 HydrophobicContact CD1-CG 4.47Å; L523-F552 HydrophobicContact CD2-CD1 4.28Å; L523-F552 HydrophobicContact CD2-CE1 4.5Å; L523-F552 HydrophobicContact CG-CD1 4.03Å; F524-F552 CarbonylContact O-C 3.47Å; F524-F552 WeakPolarHBondContact O-CA 3.46Å; Q525-F552 HydrophobicContact CB-CD1 3.92Å; Q525-F552 HydrophobicContact CB-CE1 3.49Å; Q525-F552 VanDerWaalsContact CB-CE1 3.49Å; Q525-F552 HydrophobicContact CB-CZ 3.92Å; Q525-F552 HydrophobicContact CG-CD1 4.38Å; Q525-F552 HydrophobicContact CG-CE1 3.72Å; Q525-F552 HydrophobicContact CG-CE2 4.13Å; Q525-F552 HydrophobicContact CG-CZ 3.57Å; L539-F552 HydrophobicContact CD1-CE1 4.18Å; N545-F552 WeakPolarHBondContact O-CE1 3.49Å; N545-F552 WeakPolarHBondContact O-CZ 3.44Å; L546-F552 HydrophobicContact CD2-CB 4.28Å; L546-F552 HydrophobicContact CD2-CD1 3.84Å; L546-F552 HydrophobicContact CD2-CD2 4.07Å; L546-F552 HydrophobicContact CD2-CE1 4.1Å; L546-F552 HydrophobicContact CD2-CE2 4.35Å; L546-F552 HydrophobicContact CD2-CG 3.81Å; L546-F552 HydrophobicContact CD2-CZ 4.36Å; N547-F552 HydrophobicContact CB-CE2 4.12Å; N547-F552 HydrophobicContact CB-CZ 4.07Å; D550-F552 HydrophobicContact CB-CE2 3.97Å; F552-L562 CarbonylContact O-C 3.13Å; F552-L562 WeakPolarHBondContact O-CA 3.27Å; F552-W563 HydrophobicContact CB-CB 4.33Å; F552-W563 HydrophobicContact CB-CE3 4.24Å; F552-W563 AromaticContact CD2-CE3 3.55Å; F552-W563 HydrophobicContact CD2-CE3 3.55Å; F552-W563 AromaticContact CD2-CZ3 3.66Å; F552-W563 HydrophobicContact CD2-CZ3 3.66Å; F552-W563 HydrophobicContact CE2-CE3 4.29Å; F552-W563 AromaticContact CE2-CZ3 3.94Å; F552-W563 HydrophobicContact CE2-CZ3 3.94Å; F552-W563 HydrophobicContact CG-CE3 4.22Å; F552-W563 PolarHBondContact N-O 3.23Å; F552-W563 PolarHBondContact O-N 2.6Å |
| 553 | V | 95.9 | Very high | 84.8 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 117.8 | 169.6 | 179.9 | 0 | 0 | 0 | 0 | 108.5 | F524 V555 S561 A576 L579 | F524-V553 HydrophobicContact CB-CB 4.4Å; F524-V553 PolarHBondContact N-O 2.75Å; F524-V553 PolarHBondContact O-N 2.83Å; V553-V555 HydrophobicContact CG1-CG2 4.13Å; V553-S561 WeakPolarHBondContact CA-O 3.38Å; V553-A576 HydrophobicContact CG2-CB 3.74Å; V553-L579 HydrophobicContact CB-CD2 4.05Å; V553-L579 HydrophobicContact CG2-CD2 3.94Å |
| 554 | L | 95.2 | Very high | 85.6 | Confident | 4 Ų | 4 | 23.8 Ų | 23.8 | 2% | 0.021 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 120.6 | 172.5 | 178.7 | 63 | 0 | 0 | 0 | 108.2 | T521 R522 L523 A560 S561 F600 A603 L604 | T521-L554 HydrophobicContact CG2-CD1 3.8Å; R522-L554 WeakPolarHBondContact O-CA 3.38Å; L523-L554 HydrophobicContact CB-CD1 4.36Å; L523-L554 HydrophobicContact CD1-CB 4.22Å; L523-L554 HydrophobicContact CD1-CD1 4.28Å; L554-A560 CarbonylContact O-C 3.53Å; L554-A560 WeakPolarHBondContact O-CA 3.22Å; L554-S561 PolarHBondContact N-O 3.09Å; L554-S561 PolarHBondContact O-N 2.67Å; L554-F600 HydrophobicContact CB-CE2 4.18Å; L554-F600 HydrophobicContact CD2-CD2 3.68Å; L554-F600 HydrophobicContact CD2-CE2 3.78Å; L554-F600 HydrophobicContact CD2-CG 4.47Å; L554-A603 HydrophobicContact CD2-CB 3.88Å; L554-L604 HydrophobicContact CD1-CD2 3.81Å; L554-L604 HydrophobicContact CD1-CG 4.49Å; L554-L604 HydrophobicContact CD2-CD2 4.25Å; L554-L604 HydrophobicContact CD2-CG 4.05Å |
| 555 | V | 94.7 | Very high | 86.1 | Confident | 15 Ų | 15 | 20.7 Ų | 20.7 | 9% | 0.091 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 129.1 | 172.1 | -176.6 | 0 | 0 | 0 | 0 | 107.7 | T521 R522 V553 A560 L583 V585 | T521-V555 CarbonylContact C-O 3.58Å; T521-V555 VanDerWaalsContact CA-O 3.22Å; T521-V555 WeakPolarHBondContact CA-O 3.44Å; R522-V555 PolarHBondContact N-O 3.21Å; R522-V555 PolarHBondContact O-N 3.48Å; V553-V555 HydrophobicContact CG1-CG2 4.13Å; V555-A560 HydrophobicContact CG2-CB 4.31Å; V555-L583 HydrophobicContact CG2-CD1 3.99Å; V555-V585 HydrophobicContact CG1-CG1 4.28Å; V555-V585 HydrophobicContact CG2-CG2 4.32Å |
| 556 | S | 92.2 | Very high | 86.7 | Confident | 21 Ų | 21 | 23.9 Ų | 23.9 | 15% | 0.147 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 170 | 179 | 73.2 | 0 | 0 | 0 | 0 | 110.3 | D558 G559 | S556-D558 PolarHBondContact O-N 3.37Å; S556-D558 PolarHBondContact OG-N 3.42Å; S556-G559 PolarHBondContact N-O 3.47Å; S556-G559 PolarHBondContact O-N 3.28Å; S556-G559 VanDerWaalsContact O-N 3.15Å; S556-G559 VanDerWaalsContact O-O 3.13Å; S556-G559 PolarHBondContact OG-O 3.2Å |
| 557 | P | 88 | Confident | 86.4 | Confident | 91 Ų | 91 | 25.9 Ų | 25.9 | 59% | 0.591 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -27.4 | 174.4 | -26.5 | 37.2 | 0 | 0 | 0 | 114 | E520 | E520-P557 HydrophobicContact CB-CG 4.05Å; E520-P557 WeakPolarHBondContact O-CD 3.47Å |
| 558 | D | 84.2 | Confident | 86.7 | Confident | 123 Ų | 123 | 26 Ų | 26 | 66% | 0.658 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -10.4 | -177.7 | -63.6 | -30.3 | 0 | 0 | 0 | 113.3 | S556 Q599 | S556-D558 PolarHBondContact O-N 3.37Å; S556-D558 PolarHBondContact OG-N 3.42Å; D558-Q599 PolarHBondContact OD2-NE2 3.49Å |
| 559 | G | 88.3 | Confident | 86.9 | Confident | 29 Ų | 29 | 27.4 Ų | 27.4 | 30% | 0.299 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 141.1 | -176.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S556 | S556-G559 PolarHBondContact N-O 3.47Å; S556-G559 PolarHBondContact O-N 3.28Å; S556-G559 VanDerWaalsContact O-N 3.15Å; S556-G559 VanDerWaalsContact O-O 3.13Å; S556-G559 PolarHBondContact OG-O 3.2Å |
| 560 | A | 93.1 | Very high | 88 | Confident | 3 Ų | 3 | 32.7 Ų | 32.7 | 3% | 0.025 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 139.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L554 V555 V585 A587 S588 | L554-A560 CarbonylContact O-C 3.53Å; L554-A560 WeakPolarHBondContact O-CA 3.22Å; V555-A560 HydrophobicContact CG2-CB 4.31Å; A560-V585 HydrophobicContact CB-CB 4.05Å; A560-V585 HydrophobicContact CB-CG2 3.8Å; A560-A587 CarbonylContact O-C 3.51Å; A560-A587 VanDerWaalsContact O-CA 3.25Å; A560-A587 WeakPolarHBondContact O-CA 3.31Å; A560-S588 PolarHBondContact O-N 3.18Å; A560-S588 PolarHBondContact O-OG 3.47Å; A560-S588 VanDerWaalsContact O-OG 3.13Å |
| 561 | S | 94.9 | Very high | 88.5 | Confident | 16 Ų | 16 | 34.8 Ų | 34.8 | 11% | 0.112 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 139.5 | 175.6 | -52.4 | 0 | 0 | 0 | 0 | 110.2 | V553 L554 | V553-S561 WeakPolarHBondContact CA-O 3.38Å; L554-S561 PolarHBondContact N-O 3.09Å; L554-S561 PolarHBondContact O-N 2.67Å |
| 562 | L | 96.1 | Very high | 88.3 | Confident | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 113.1 | 173.3 | -175.8 | 149.8 | 0 | 0 | 0 | 108.1 | F552 V564 K573 A576 Q577 A587 D589 E590 L591 | F552-L562 CarbonylContact O-C 3.13Å; F552-L562 WeakPolarHBondContact O-CA 3.27Å; L562-V564 HydrophobicContact CD2-CG2 3.31Å; L562-K573 HydrophobicContact CD2-CG 4.44Å; L562-A576 HydrophobicContact CD1-CB 3.61Å; L562-A576 HydrophobicContact CG-CB 4.15Å; L562-Q577 HydrophobicContact CD1-CG 3.8Å; L562-A587 HydrophobicContact CB-CB 4Å; L562-D589 PolarHBondContact N-O 2.74Å; L562-E590 HydrophobicContact CD2-CG 3.98Å; L562-E590 CarbonylContact O-C 3.37Å; L562-E590 WeakPolarHBondContact O-CA 3.46Å; L562-L591 PolarHBondContact O-N 2.78Å |
| 563 | W | 94.7 | Very high | 88.4 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 130 | 178.7 | -178 | 91.6 | 0 | 0 | 0 | 110.2 | L546 N547 A551 F552 L591 E593 E596 F600 Y610 | L546-W563 HydrophobicContact CB-CH2 4.39Å; L546-W563 HydrophobicContact CD1-CZ2 4.43Å; L546-W563 HydrophobicContact CD2-CD2 4.34Å; L546-W563 HydrophobicContact CD2-CE3 4.16Å; L546-W563 HydrophobicContact CD2-CZ3 4.4Å; N547-W563 WeakPolarHBondContact O-CZ3 3.47Å; A551-W563 CarbonylContact C-O 3.49Å; A551-W563 WeakPolarHBondContact CA-O 3.45Å; F552-W563 HydrophobicContact CB-CB 4.33Å; F552-W563 HydrophobicContact CB-CE3 4.24Å; F552-W563 AromaticContact CD2-CE3 3.55Å; F552-W563 HydrophobicContact CD2-CE3 3.55Å; F552-W563 AromaticContact CD2-CZ3 3.66Å; F552-W563 HydrophobicContact CD2-CZ3 3.66Å; F552-W563 HydrophobicContact CE2-CE3 4.29Å; F552-W563 AromaticContact CE2-CZ3 3.94Å; F552-W563 HydrophobicContact CE2-CZ3 3.94Å; F552-W563 HydrophobicContact CG-CE3 4.22Å; F552-W563 PolarHBondContact N-O 3.23Å; F552-W563 PolarHBondContact O-N 2.6Å; W563-L591 CarbonylContact C-O 3.46Å; W563-L591 VanDerWaalsContact CA-O 3.3Å; W563-L591 WeakPolarHBondContact CA-O 3.37Å; W563-E593 HydrophobicContact CH2-CB 4.28Å; W563-E593 HydrophobicContact CH2-CG 4.4Å; W563-E593 HydrophobicContact CZ2-CB 3.6Å; W563-E593 HydrophobicContact CZ2-CG 3.72Å; W563-E596 PolarHBondContact NE1-OE1 3.24Å; W563-F600 HydrophobicContact CB-CE2 4.02Å; W563-F600 HydrophobicContact CB-CZ 3.91Å; W563-F600 AromaticContact CD1-CZ 3.73Å; W563-F600 HydrophobicContact CG-CE2 4.43Å; W563-F600 AromaticContact CG-CZ 3.88Å; W563-F600 HydrophobicContact CG-CZ 3.88Å; W563-Y610 HydrophobicContact CH2-CE2 4.18Å; W563-Y610 HydrophobicContact CZ2-CE2 4.22Å |
| 564 | V | 93.3 | Very high | 88.3 | Confident | 23 Ų | 23 | 42.8 Ų | 42.8 | 14% | 0.139 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 109 | -177.4 | -170.7 | 0 | 0 | 0 | 0 | 109.3 | L562 A568 E590 L591 E593 | L562-V564 HydrophobicContact CD2-CG2 3.31Å; V564-A568 HydrophobicContact CG1-CB 3.89Å; V564-E590 HydrophobicContact CG2-CG 4.27Å; V564-L591 PolarHBondContact N-O 3.4Å; V564-E593 PolarHBondContact O-N 3.13Å |
| 565 | G | 81.9 | Confident | 88.1 | Confident | 3 Ų | 3 | 42.7 Ų | 42.7 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | trans | -62.6 | 150.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S548 D550 G567 A568 | S548-G565 CarbonylContact O-C 3.5Å; S548-G565 VanDerWaalsContact O-CA 3.26Å; S548-G565 WeakPolarHBondContact O-CA 3.11Å; D550-G565 PolarHBondContact O-N 2.89Å; G565-G567 PolarHBondContact O-N 3.07Å; G565-G567 VanDerWaalsContact O-N 3.13Å; G565-A568 VanDerWaalsContact O-CB 3.26Å; G565-A568 WeakPolarHBondContact O-CB 3.22Å; G565-A568 PolarHBondContact O-N 3.49Å | ||
| 566 | V | 85.4 | Confident | 88.1 | Confident | 122 Ų | 122 | 42 Ų | 42 | 74% | 0.739 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -28.3 | -178.2 | 171.4 | 0 | 0 | 0 | 0 | 113.2 | S548 E593 | S548-V566 PolarHBondContact O-N 3.14Å; V566-E593 HydrophobicContact CG2-CB 3.87Å; V566-E593 HydrophobicContact CG2-CG 4.03Å; V566-E593 WeakPolarHBondContact CG2-OE2 3.06Å; V566-E593 PolarHBondContact N-OE2 3.07Å |
| 567 | G | 69 | Low | 88.2 | Confident | 44 Ų | 44 | 45.5 Ų | 45.5 | 45% | 0.454 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -0.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115 | S548 G565 | S548-G567 VanDerWaalsContact O-CA 3.29Å; S548-G567 WeakPolarHBondContact O-CA 3.38Å; S548-G567 PolarHBondContact O-N 2.98Å; G565-G567 PolarHBondContact O-N 3.07Å; G565-G567 VanDerWaalsContact O-N 3.13Å |
| 568 | A | 77.8 | Confident | 88.5 | Confident | 21 Ų | 21 | 44 Ų | 44 | 17% | 0.174 | 26% | 0.256 | C | S | . | . | trans | -69.4 | 144.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | S548 N549 V564 G565 | S548-A568 PolarHBondContact O-N 3.12Å; N549-A568 WeakPolarHBondContact O-CA 3.12Å; V564-A568 HydrophobicContact CG1-CB 3.89Å; G565-A568 VanDerWaalsContact O-CB 3.26Å; G565-A568 WeakPolarHBondContact O-CB 3.22Å; G565-A568 PolarHBondContact O-N 3.49Å | ||
| 569 | S | 81 | Confident | 89 | Confident | 37 Ų | 37 | 38.1 Ų | 38.1 | 26% | 0.259 | 23% | 0.225 | S | C | . | . | trans | -88.7 | 157.9 | 177.9 | 59.1 | 0 | 0 | 0 | 0 | 112.7 | S528 T571 E572 K573 | S528-S569 PolarHBondContact OG-OG 3.23Å; S569-T571 PolarHBondContact O-N 2.88Å; S569-E572 WeakPolarHBondContact CB-OE2 3.23Å; S569-E572 PolarHBondContact N-OE2 3.48Å; S569-E572 PolarHBondContact O-N 2.97Å; S569-E572 VanDerWaalsContact OG-CD 3.29Å; S569-E572 WeakPolarHBondContact OG-CG 3.36Å; S569-E572 PolarHBondContact OG-N 2.92Å; S569-E572 PolarHBondContact OG-OE2 3.42Å; S569-K573 PolarHBondContact O-N 3Å; S569-K573 VanDerWaalsContact O-N 3.09Å | ||
| 570 | D | 88 | Confident | 89.2 | Confident | 125 Ų | 125 | 37.1 Ų | 37.1 | 67% | 0.668 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -56.5 | -32.7 | 171.5 | -73 | -34.7 | 0 | 0 | 0 | 112 | K573 Q574 | D570-K573 PolarHBondContact O-N 3.17Å; D570-Q574 VanDerWaalsContact O-CG 3.3Å; D570-Q574 WeakPolarHBondContact O-CG 3.46Å; D570-Q574 PolarHBondContact O-N 2.81Å |
| 571 | T | 86 | Confident | 89.2 | Confident | 48 Ų | 48 | 39.7 Ų | 39.7 | 29% | 0.294 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.5 | -45.1 | 173.9 | -56.3 | 0 | 0 | 0 | 0 | 112.1 | G532 T534 S569 K573 Q574 G575 | G532-T571 WeakPolarHBondContact O-CG2 3.46Å; T534-T571 HydrophobicContact CG2-CG2 3.88Å; T534-T571 WeakPolarHBondContact CG2-O 3.34Å; S569-T571 PolarHBondContact O-N 2.88Å; T571-K573 VanDerWaalsContact C-N 3.34Å; T571-Q574 PolarHBondContact O-N 3.2Å; T571-G575 PolarHBondContact O-N 2.73Å |
| 572 | E | 84.6 | Confident | 89 | Confident | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.019 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.6 | -38.4 | 177.9 | -76.2 | 155.1 | 152.2 | 0 | 0 | 111.6 | V526 R527 S528 A551 S569 G575 A576 | V526-E572 WeakPolarHBondContact CG1-O 3.16Å; R527-E572 WeakPolarHBondContact CA-OE1 3.43Å; S528-E572 VanDerWaalsContact N-CG 3.3Å; S528-E572 PolarHBondContact N-OE1 2.93Å; S528-E572 PolarHBondContact OG-OE1 2.69Å; A551-E572 HydrophobicContact CB-CB 3.94Å; S569-E572 WeakPolarHBondContact CB-OE2 3.23Å; S569-E572 PolarHBondContact N-OE2 3.48Å; S569-E572 PolarHBondContact O-N 2.97Å; S569-E572 VanDerWaalsContact OG-CD 3.29Å; S569-E572 WeakPolarHBondContact OG-CG 3.36Å; S569-E572 PolarHBondContact OG-N 2.92Å; S569-E572 PolarHBondContact OG-OE2 3.42Å; E572-G575 PolarHBondContact O-N 3.18Å; E572-A576 WeakPolarHBondContact O-CB 3.4Å; E572-A576 PolarHBondContact O-N 2.6Å |
| 573 | K | 92.8 | Very high | 88.8 | Confident | 50 Ų | 50 | 42.4 Ų | 42.4 | 22% | 0.217 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.2 | -46.2 | 172.9 | 179.4 | 177.8 | 171.6 | 171.8 | 0 | 111.9 | L562 S569 D570 T571 A576 Q577 E590 | L562-K573 HydrophobicContact CD2-CG 4.44Å; S569-K573 PolarHBondContact O-N 3Å; S569-K573 VanDerWaalsContact O-N 3.09Å; D570-K573 PolarHBondContact O-N 3.17Å; T571-K573 VanDerWaalsContact C-N 3.34Å; K573-A576 PolarHBondContact O-N 3.14Å; K573-Q577 WeakPolarHBondContact O-CG 3.45Å; K573-Q577 PolarHBondContact O-N 3.21Å; K573-E590 VanDerWaalsContact CE-CD 3.45Å; K573-E590 WeakPolarHBondContact CE-OE1 3.38Å; K573-E590 WeakPolarHBondContact CE-OE2 3.28Å; K573-E590 IonicContact NZ-OE1 2.63Å; K573-E590 PolarHBondContact NZ-OE1 3.49Å; K573-E590 IonicContact NZ-OE2 2.87Å; K573-E590 PolarHBondContact NZ-OE2 3.04Å |
| 574 | Q | 92.8 | Very high | 88.6 | Confident | 115 Ų | 115 | 45.8 Ų | 45.8 | 54% | 0.537 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 176.4 | -73.5 | 173 | 22.2 | 0 | 0 | 111.8 | D570 T571 A576 Q577 Q578 | D570-Q574 VanDerWaalsContact O-CG 3.3Å; D570-Q574 WeakPolarHBondContact O-CG 3.46Å; D570-Q574 PolarHBondContact O-N 2.81Å; T571-Q574 PolarHBondContact O-N 3.2Å; Q574-A576 VanDerWaalsContact C-N 3.29Å; Q574-A576 PolarHBondContact O-N 3.18Å; Q574-Q577 WeakPolarHBondContact O-CB 3.19Å; Q574-Q577 PolarHBondContact O-N 3.45Å; Q574-Q578 WeakPolarHBondContact O-CG 3.17Å; Q574-Q578 PolarHBondContact O-N 2.88Å |
| 575 | G | 92.4 | Very high | 88.5 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.5 | -37.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | T571 E572 Q578 L579 | T571-G575 PolarHBondContact O-N 2.73Å; E572-G575 PolarHBondContact O-N 3.18Å; G575-Q578 PolarHBondContact O-N 3.16Å; G575-L579 WeakPolarHBondContact O-CB 2.97Å; G575-L579 PolarHBondContact O-N 3.2Å |
| 576 | A | 93.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.8 | -37.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V526 A551 V553 L562 E572 K573 Q574 L579 C580 | V526-A576 HydrophobicContact CB-CB 4.27Å; V526-A576 HydrophobicContact CG1-CB 4.44Å; V526-A576 HydrophobicContact CG2-CB 3.89Å; A551-A576 HydrophobicContact CB-CB 4.21Å; V553-A576 HydrophobicContact CG2-CB 3.74Å; L562-A576 HydrophobicContact CD1-CB 3.61Å; L562-A576 HydrophobicContact CG-CB 4.15Å; E572-A576 WeakPolarHBondContact O-CB 3.4Å; E572-A576 PolarHBondContact O-N 2.6Å; K573-A576 PolarHBondContact O-N 3.14Å; Q574-A576 VanDerWaalsContact C-N 3.29Å; Q574-A576 PolarHBondContact O-N 3.18Å; A576-L579 WeakPolarHBondContact O-CB 3.34Å; A576-L579 PolarHBondContact O-N 2.87Å; A576-C580 PolarHBondContact O-N 2.94Å; A576-C580 VanDerWaalsContact O-N 3.1Å; A576-C580 PolarHBondContact O-SG 3.01Å; A576-C580 VanDerWaalsContact O-SG 3.39Å |
| 577 | Q | 93.9 | Very high | 88.5 | Confident | 96 Ų | 96 | 47.6 Ų | 47.6 | 45% | 0.449 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.6 | -41.6 | 173.9 | -68.9 | 172.8 | -16.7 | 0 | 0 | 112.2 | L562 K573 Q574 L579 C580 G581 | L562-Q577 HydrophobicContact CD1-CG 3.8Å; K573-Q577 WeakPolarHBondContact O-CG 3.45Å; K573-Q577 PolarHBondContact O-N 3.21Å; Q574-Q577 WeakPolarHBondContact O-CB 3.19Å; Q574-Q577 PolarHBondContact O-N 3.45Å; Q577-L579 VanDerWaalsContact C-N 3.32Å; Q577-C580 WeakPolarHBondContact O-CB 3.46Å; Q577-C580 PolarHBondContact O-N 2.89Å; Q577-G581 PolarHBondContact O-N 3.27Å |
| 578 | Q | 94.1 | Very high | 88.6 | Confident | 59 Ų | 59 | 49.1 Ų | 49.1 | 28% | 0.276 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.5 | -40.8 | 174.4 | -70.3 | 171.7 | -25.9 | 0 | 0 | 111.4 | G499 P501 Q574 G575 C580 G581 I582 | G499-Q578 PolarHBondContact O-NE2 2.98Å; G499-Q578 PolarHBondContact O-OE1 2.69Å; P501-Q578 HydrophobicContact CG-CB 4.18Å; Q574-Q578 WeakPolarHBondContact O-CG 3.17Å; Q574-Q578 PolarHBondContact O-N 2.88Å; G575-Q578 PolarHBondContact O-N 3.16Å; Q578-C580 VanDerWaalsContact C-N 3.33Å; Q578-C580 PolarHBondContact O-N 2.9Å; Q578-G581 WeakPolarHBondContact O-CA 2.97Å; Q578-G581 PolarHBondContact O-N 3.11Å; Q578-I582 PolarHBondContact O-N 2.8Å |
| 579 | L | 94.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.6 | -43.3 | 173.7 | 176.5 | 67.2 | 0 | 0 | 0 | 112 | P501 V503 F524 V526 A536 V553 G575 A576 Q577 G581 I582 L583 | P501-L579 HydrophobicContact CG-CB 4.35Å; V503-L579 HydrophobicContact CB-CD1 4.44Å; V503-L579 HydrophobicContact CG1-CD1 3.82Å; V503-L579 HydrophobicContact CG2-CD1 3.71Å; F524-L579 HydrophobicContact CB-CD2 3.54Å; F524-L579 HydrophobicContact CD1-CD2 4.2Å; F524-L579 HydrophobicContact CD2-CD2 4.39Å; F524-L579 HydrophobicContact CG-CD2 3.81Å; V526-L579 HydrophobicContact CG2-CD2 4.08Å; A536-L579 HydrophobicContact CB-CD1 3.86Å; A536-L579 HydrophobicContact CB-CD2 3.6Å; A536-L579 HydrophobicContact CB-CG 4.21Å; V553-L579 HydrophobicContact CB-CD2 4.05Å; V553-L579 HydrophobicContact CG2-CD2 3.94Å; G575-L579 WeakPolarHBondContact O-CB 2.97Å; G575-L579 PolarHBondContact O-N 3.2Å; A576-L579 WeakPolarHBondContact O-CB 3.34Å; A576-L579 PolarHBondContact O-N 2.87Å; Q577-L579 VanDerWaalsContact C-N 3.32Å; L579-G581 PolarHBondContact O-N 3.25Å; L579-I582 PolarHBondContact O-N 3.41Å; L579-I582 VanDerWaalsContact O-N 3.11Å; L579-L583 HydrophobicContact CD1-CD1 4.05Å; L579-L583 HydrophobicContact CD1-CD2 4.48Å; L579-L583 HydrophobicContact CD1-CG 3.99Å; L579-L583 HydrophobicContact CD2-CD1 4.34Å; L579-L583 HydrophobicContact CG-CD1 3.85Å; L579-L583 HydrophobicContact CG-CG 4.19Å; L579-L583 WeakPolarHBondContact O-CB 3.4Å; L579-L583 WeakPolarHBondContact O-CG 3.33Å; L579-L583 PolarHBondContact O-N 3.11Å |
| 580 | C | 93.9 | Very high | 89.2 | Confident | 7 Ų | 7 | 55.2 Ų | 55.2 | 5% | 0.047 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -55.5 | -42.4 | 174.8 | -68.6 | 0 | 0 | 0 | 0 | 111.6 | A576 Q577 Q578 L583 G584 V585 | A576-C580 PolarHBondContact O-N 2.94Å; A576-C580 VanDerWaalsContact O-N 3.1Å; A576-C580 PolarHBondContact O-SG 3.01Å; A576-C580 VanDerWaalsContact O-SG 3.39Å; Q577-C580 WeakPolarHBondContact O-CB 3.46Å; Q577-C580 PolarHBondContact O-N 2.89Å; Q578-C580 VanDerWaalsContact C-N 3.33Å; Q578-C580 PolarHBondContact O-N 2.9Å; C580-L583 PolarHBondContact O-N 3.03Å; C580-G584 PolarHBondContact O-N 2.89Å; C580-G584 VanDerWaalsContact O-N 3.09Å; C580-V585 CarbonylContact C-O 3.54Å; C580-V585 HydrophobicContact CB-CG2 4.05Å; C580-V585 PolarHBondContact O-N 3.15Å |
| 581 | G | 92.1 | Very high | 89.5 | Confident | 58 Ų | 58 | 50 Ų | 50 | 60% | 0.598 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -60.2 | -45 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q577 Q578 L579 L583 G584 | Q577-G581 PolarHBondContact O-N 3.27Å; Q578-G581 WeakPolarHBondContact O-CA 2.97Å; Q578-G581 PolarHBondContact O-N 3.11Å; L579-G581 PolarHBondContact O-N 3.25Å; G581-L583 VanDerWaalsContact C-N 3.33Å; G581-L583 PolarHBondContact O-N 3.42Å; G581-G584 PolarHBondContact O-N 3.25Å; G581-G584 VanDerWaalsContact O-N 3.15Å |
| 582 | I | 92 | Very high | 89.8 | Confident | 50 Ų | 50 | 51.2 Ų | 51.2 | 26% | 0.256 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 176.3 | -65 | 169.8 | 0 | 0 | 0 | 111.1 | Q416 P501 V503 Q578 L579 G584 | Q416-I582 HydrophobicContact CG-CG2 4.3Å; P501-I582 HydrophobicContact CG-CD1 3.93Å; V503-I582 HydrophobicContact CG2-CD1 3.78Å; V503-I582 HydrophobicContact CG2-CG2 4.38Å; Q578-I582 PolarHBondContact O-N 2.8Å; L579-I582 PolarHBondContact O-N 3.41Å; L579-I582 VanDerWaalsContact O-N 3.11Å; I582-G584 PolarHBondContact O-N 3.37Å |
| 583 | L | 91.4 | Very high | 90 | Very high | 26 Ų | 26 | 52.7 Ų | 52.7 | 14% | 0.136 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -6.1 | 179.1 | -65.2 | 177.5 | 0 | 0 | 0 | 113.2 | Y505 F524 V555 L579 C580 G581 V585 | Y505-L583 HydrophobicContact CE1-CD2 4.05Å; F524-L583 HydrophobicContact CD2-CD1 4.05Å; F524-L583 HydrophobicContact CE2-CD1 3.77Å; F524-L583 HydrophobicContact CE2-CD2 4.38Å; F524-L583 HydrophobicContact CZ-CD1 4.25Å; F524-L583 HydrophobicContact CZ-CD2 4.11Å; V555-L583 HydrophobicContact CG2-CD1 3.99Å; L579-L583 HydrophobicContact CD1-CD1 4.05Å; L579-L583 HydrophobicContact CD1-CD2 4.48Å; L579-L583 HydrophobicContact CD1-CG 3.99Å; L579-L583 HydrophobicContact CD2-CD1 4.34Å; L579-L583 HydrophobicContact CG-CD1 3.85Å; L579-L583 HydrophobicContact CG-CG 4.19Å; L579-L583 WeakPolarHBondContact O-CB 3.4Å; L579-L583 WeakPolarHBondContact O-CG 3.33Å; L579-L583 PolarHBondContact O-N 3.11Å; C580-L583 PolarHBondContact O-N 3.03Å; G581-L583 VanDerWaalsContact C-N 3.33Å; G581-L583 PolarHBondContact O-N 3.42Å; L583-V585 HydrophobicContact CB-CG1 4.47Å; L583-V585 HydrophobicContact CB-CG2 3.98Å; L583-V585 PolarHBondContact O-N 2.89Å |
| 584 | G | 90.6 | Very high | 89.8 | Confident | 72 Ų | 72 | 53.5 Ų | 53.5 | 74% | 0.742 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | 23.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | C580 G581 I582 | C580-G584 PolarHBondContact O-N 2.89Å; C580-G584 VanDerWaalsContact O-N 3.09Å; G581-G584 PolarHBondContact O-N 3.25Å; G581-G584 VanDerWaalsContact O-N 3.15Å; I582-G584 PolarHBondContact O-N 3.37Å |
| 585 | V | 90.5 | Very high | 89.7 | Confident | 38 Ų | 38 | 50.3 Ų | 50.3 | 23% | 0.23 | 35% | 0.345 | C | S | . | . | trans | -113.4 | 155.9 | -179.8 | -58.2 | 0 | 0 | 0 | 0 | 111 | V555 A560 C580 L583 | V555-V585 HydrophobicContact CG1-CG1 4.28Å; V555-V585 HydrophobicContact CG2-CG2 4.32Å; A560-V585 HydrophobicContact CB-CB 4.05Å; A560-V585 HydrophobicContact CB-CG2 3.8Å; C580-V585 CarbonylContact C-O 3.54Å; C580-V585 HydrophobicContact CB-CG2 4.05Å; C580-V585 PolarHBondContact O-N 3.15Å; L583-V585 HydrophobicContact CB-CG1 4.47Å; L583-V585 HydrophobicContact CB-CG2 3.98Å; L583-V585 PolarHBondContact O-N 2.89Å | ||
| 586 | S | 86.6 | Confident | 89.8 | Confident | 109 Ų | 109 | 51.5 Ų | 51.5 | 76% | 0.762 | 35% | 0.35 | S | S | * | . | trans | -110.7 | 125.6 | 167.3 | -64.1 | 0 | 0 | 0 | 0 | 108.2 | S588 | S586-S588 PolarHBondContact O-N 3.48Å; S586-S588 VanDerWaalsContact O-N 3.16Å | ||
| 587 | A | 80.6 | Confident | 89.8 | Confident | 39 Ų | 39 | 54.5 Ų | 54.5 | 32% | 0.322 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 115.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | A560 L562 D589 | A560-A587 CarbonylContact O-C 3.51Å; A560-A587 VanDerWaalsContact O-CA 3.25Å; A560-A587 WeakPolarHBondContact O-CA 3.31Å; L562-A587 HydrophobicContact CB-CB 4Å; A587-D589 VanDerWaalsContact C-N 3.29Å |
| 588 | S | 72.3 | Confident | 89.7 | Confident | 77 Ų | 77 | 56.9 Ų | 56.9 | 54% | 0.538 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | -32.8 | 179.2 | 55.7 | 0 | 0 | 0 | 0 | 111.2 | A560 S586 | A560-S588 PolarHBondContact O-N 3.18Å; A560-S588 PolarHBondContact O-OG 3.47Å; A560-S588 VanDerWaalsContact O-OG 3.13Å; S586-S588 PolarHBondContact O-N 3.48Å; S586-S588 VanDerWaalsContact O-N 3.16Å |
| 589 | D | 79.1 | Confident | 89.6 | Confident | 83 Ų | 83 | 59.3 Ų | 59.3 | 44% | 0.444 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 130.6 | -173.7 | -55.8 | -74.7 | 0 | 0 | 0 | 111.3 | L562 A587 L591 | L562-D589 PolarHBondContact N-O 2.74Å; A587-D589 VanDerWaalsContact C-N 3.29Å; D589-L591 HydrophobicContact CB-CD2 4.11Å; D589-L591 HydrophobicContact CB-CG 4.29Å |
| 590 | E | 91.8 | Very high | 89.5 | Confident | 103 Ų | 103 | 59.5 Ų | 59.5 | 48% | 0.481 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 113.9 | 163.6 | -179 | 179.2 | 139.3 | 0 | 0 | 108.3 | L562 V564 K573 | L562-E590 HydrophobicContact CD2-CG 3.98Å; L562-E590 CarbonylContact O-C 3.37Å; L562-E590 WeakPolarHBondContact O-CA 3.46Å; V564-E590 HydrophobicContact CG2-CG 4.27Å; K573-E590 VanDerWaalsContact CE-CD 3.45Å; K573-E590 WeakPolarHBondContact CE-OE1 3.38Å; K573-E590 WeakPolarHBondContact CE-OE2 3.28Å; K573-E590 IonicContact NZ-OE1 2.63Å; K573-E590 PolarHBondContact NZ-OE1 3.49Å; K573-E590 IonicContact NZ-OE2 2.87Å; K573-E590 PolarHBondContact NZ-OE2 3.04Å |
| 591 | L | 93.1 | Very high | 89.6 | Confident | 14 Ų | 14 | 60.1 Ų | 60.1 | 7% | 0.073 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 113.3 | -177.1 | -58 | 175.5 | 0 | 0 | 0 | 109.1 | L562 W563 V564 D589 T597 F600 | L562-L591 PolarHBondContact O-N 2.78Å; W563-L591 CarbonylContact C-O 3.46Å; W563-L591 VanDerWaalsContact CA-O 3.3Å; W563-L591 WeakPolarHBondContact CA-O 3.37Å; V564-L591 PolarHBondContact N-O 3.4Å; D589-L591 HydrophobicContact CB-CD2 4.11Å; D589-L591 HydrophobicContact CB-CG 4.29Å; L591-T597 HydrophobicContact CD2-CG2 4.28Å; L591-F600 HydrophobicContact CD1-CB 3.96Å; L591-F600 HydrophobicContact CD1-CD2 3.66Å; L591-F600 HydrophobicContact CD1-CE2 4.32Å; L591-F600 HydrophobicContact CD1-CG 3.86Å |
| 592 | S | 92.6 | Very high | 89.6 | Confident | 74 Ų | 74 | 60.8 Ų | 60.8 | 52% | 0.517 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 147 | 166.1 | -54.1 | 0 | 0 | 0 | 0 | 110.1 | G594 G595 | S592-G594 PolarHBondContact O-N 2.89Å; S592-G595 WeakPolarHBondContact O-CA 3.31Å; S592-G595 PolarHBondContact O-N 3.12Å |
| 593 | E | 89.3 | Confident | 89.7 | Confident | 36 Ų | 36 | 59.9 Ų | 59.9 | 17% | 0.168 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 130.4 | 174.7 | 173.1 | 171.6 | -160.1 | 0 | 0 | 112 | S548 W563 V564 V566 G595 E596 Y610 | S548-E593 WeakPolarHBondContact CA-OE2 3.4Å; S548-E593 WeakPolarHBondContact CB-OE2 3.08Å; S548-E593 PolarHBondContact OG-OE1 2.87Å; S548-E593 PolarHBondContact OG-OE2 2.84Å; W563-E593 HydrophobicContact CH2-CB 4.28Å; W563-E593 HydrophobicContact CH2-CG 4.4Å; W563-E593 HydrophobicContact CZ2-CB 3.6Å; W563-E593 HydrophobicContact CZ2-CG 3.72Å; V564-E593 PolarHBondContact O-N 3.13Å; V566-E593 HydrophobicContact CG2-CB 3.87Å; V566-E593 HydrophobicContact CG2-CG 4.03Å; V566-E593 WeakPolarHBondContact CG2-OE2 3.06Å; V566-E593 PolarHBondContact N-OE2 3.07Å; E593-G595 VanDerWaalsContact C-N 3.32Å; E593-E596 WeakPolarHBondContact CA-OE1 3.18Å; E593-Y610 WeakPolarHBondContact CG-OH 3.49Å; E593-Y610 VanDerWaalsContact OE1-CE2 3.24Å; E593-Y610 WeakPolarHBondContact OE1-CE2 3.38Å; E593-Y610 PolarHBondContact OE1-OH 3.14Å |
| 594 | G | 89.5 | Confident | 89.6 | Confident | 67 Ų | 67 | 58.9 Ų | 58.9 | 69% | 0.691 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.4 | -10.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115 | S592 E596 | S592-G594 PolarHBondContact O-N 2.89Å; G594-E596 VanDerWaalsContact C-OE2 3.24Å; G594-E596 WeakPolarHBondContact CA-OE2 3.35Å; G594-E596 PolarHBondContact N-OE1 2.74Å; G594-E596 PolarHBondContact N-OE2 3.27Å; G594-E596 VanDerWaalsContact N-OE2 3.08Å |
| 595 | G | 90.9 | Very high | 89.6 | Confident | 48 Ų | 48 | 59.1 Ų | 59.1 | 50% | 0.495 | 40% | 0.395 | S | S | . | . | trans | -102.7 | 17 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114 | S592 E593 | S592-G595 WeakPolarHBondContact O-CA 3.31Å; S592-G595 PolarHBondContact O-N 3.12Å; E593-G595 VanDerWaalsContact C-N 3.32Å | ||
| 596 | E | 93.9 | Very high | 89.7 | Confident | 26 Ų | 26 | 58.8 Ų | 58.8 | 12% | 0.121 | 40% | 0.399 | C | S | . | . | trans | -71.8 | 144.4 | -174.8 | -51.6 | 87.4 | 173.4 | 0 | 0 | 112.5 | W563 E593 G594 F600 W601 | W563-E596 PolarHBondContact NE1-OE1 3.24Å; E593-E596 WeakPolarHBondContact CA-OE1 3.18Å; G594-E596 VanDerWaalsContact C-OE2 3.24Å; G594-E596 WeakPolarHBondContact CA-OE2 3.35Å; G594-E596 PolarHBondContact N-OE1 2.74Å; G594-E596 PolarHBondContact N-OE2 3.27Å; G594-E596 VanDerWaalsContact N-OE2 3.08Å; E596-F600 HydrophobicContact CB-CD1 3.77Å; E596-F600 HydrophobicContact CB-CE1 4.32Å; E596-F600 HydrophobicContact CB-CG 4.41Å; E596-F600 HydrophobicContact CG-CD1 3.91Å; E596-F600 HydrophobicContact CG-CE1 3.94Å; E596-W601 HydrophobicContact CB-CZ2 3.85Å; E596-W601 HydrophobicContact CG-CH2 4.37Å; E596-W601 HydrophobicContact CG-CZ2 3.65Å | ||
| 597 | T | 92.8 | Very high | 89.9 | Confident | 63 Ų | 63 | 60.4 Ų | 60.4 | 39% | 0.387 | 39% | 0.392 | S | S | . | . | trans | -85 | 160.4 | 177.8 | 66 | 0 | 0 | 0 | 0 | 111.9 | L591 Q599 F600 W601 | L591-T597 HydrophobicContact CD2-CG2 4.28Å; T597-Q599 PolarHBondContact O-N 2.88Å; T597-F600 WeakPolarHBondContact O-CB 3.45Å; T597-F600 PolarHBondContact O-N 2.8Å; T597-F600 PolarHBondContact OG1-N 2.92Å; T597-W601 VanDerWaalsContact O-CD1 3.31Å; T597-W601 PolarHBondContact O-N 3.24Å | ||
| 598 | D | 92.1 | Very high | 89.7 | Confident | 145 Ų | 145 | 60.7 Ų | 60.7 | 78% | 0.775 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -60.6 | -32.5 | 173.5 | -69.2 | -25 | 0 | 0 | 0 | 112 | W601 A602 | D598-W601 PolarHBondContact O-N 3.24Å; D598-A602 WeakPolarHBondContact O-CB 3.43Å; D598-A602 PolarHBondContact O-N 3.12Å |
| 599 | Q | 91.4 | Very high | 89.7 | Confident | 111 Ų | 111 | 66 Ų | 66 | 52% | 0.519 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.4 | -41.9 | 176.3 | -171.8 | 177.1 | 12.4 | 0 | 0 | 111.8 | D558 T597 W601 A602 A603 | D558-Q599 PolarHBondContact OD2-NE2 3.49Å; T597-Q599 PolarHBondContact O-N 2.88Å; Q599-W601 VanDerWaalsContact C-N 3.35Å; Q599-W601 PolarHBondContact O-N 2.82Å; Q599-A602 PolarHBondContact O-N 3.42Å; Q599-A603 PolarHBondContact O-N 3.42Å |
| 600 | F | 93.7 | Very high | 89.2 | Confident | 3 Ų | 3 | 64.3 Ų | 64.3 | 1% | 0.013 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -58.8 | -46.8 | 174.7 | 175.7 | -93.2 | 0 | 0 | 0 | 111.3 | L546 L554 W563 L591 E596 T597 A603 L604 | L546-F600 HydrophobicContact CD1-CE1 4.09Å; L546-F600 HydrophobicContact CD1-CZ 4.25Å; L554-F600 HydrophobicContact CB-CE2 4.18Å; L554-F600 HydrophobicContact CD2-CD2 3.68Å; L554-F600 HydrophobicContact CD2-CE2 3.78Å; L554-F600 HydrophobicContact CD2-CG 4.47Å; W563-F600 HydrophobicContact CB-CE2 4.02Å; W563-F600 HydrophobicContact CB-CZ 3.91Å; W563-F600 AromaticContact CD1-CZ 3.73Å; W563-F600 HydrophobicContact CG-CE2 4.43Å; W563-F600 AromaticContact CG-CZ 3.88Å; W563-F600 HydrophobicContact CG-CZ 3.88Å; L591-F600 HydrophobicContact CD1-CB 3.96Å; L591-F600 HydrophobicContact CD1-CD2 3.66Å; L591-F600 HydrophobicContact CD1-CE2 4.32Å; L591-F600 HydrophobicContact CD1-CG 3.86Å; E596-F600 HydrophobicContact CB-CD1 3.77Å; E596-F600 HydrophobicContact CB-CE1 4.32Å; E596-F600 HydrophobicContact CB-CG 4.41Å; E596-F600 HydrophobicContact CG-CD1 3.91Å; E596-F600 HydrophobicContact CG-CE1 3.94Å; T597-F600 WeakPolarHBondContact O-CB 3.45Å; T597-F600 PolarHBondContact O-N 2.8Å; T597-F600 PolarHBondContact OG1-N 2.92Å; F600-A603 PolarHBondContact O-N 2.74Å; F600-L604 HydrophobicContact CD1-CD1 4.17Å; F600-L604 HydrophobicContact CE1-CD1 3.55Å; F600-L604 HydrophobicContact CE2-CD1 4.33Å; F600-L604 HydrophobicContact CZ-CD1 3.65Å; F600-L604 PolarHBondContact O-N 2.94Å |
| 601 | W | 94.9 | Very high | 87.5 | Confident | 20 Ų | 20 | 66.6 Ų | 66.6 | 8% | 0.076 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -66.3 | -39 | 177 | -68.4 | 119.5 | 0 | 0 | 0 | 112.6 | A543 L546 E596 T597 D598 Q599 A603 L604 G605 G606 K607 Y610 | A543-W601 HydrophobicContact CB-CE3 4Å; A543-W601 HydrophobicContact CB-CZ3 3.75Å; L546-W601 HydrophobicContact CD1-CH2 3.84Å; L546-W601 HydrophobicContact CD1-CZ3 3.77Å; E596-W601 HydrophobicContact CB-CZ2 3.85Å; E596-W601 HydrophobicContact CG-CH2 4.37Å; E596-W601 HydrophobicContact CG-CZ2 3.65Å; T597-W601 VanDerWaalsContact O-CD1 3.31Å; T597-W601 PolarHBondContact O-N 3.24Å; D598-W601 PolarHBondContact O-N 3.24Å; Q599-W601 VanDerWaalsContact C-N 3.35Å; Q599-W601 PolarHBondContact O-N 2.82Å; W601-A603 VanDerWaalsContact C-N 3.33Å; W601-A603 PolarHBondContact O-N 2.7Å; W601-L604 HydrophobicContact CE3-CD1 4.45Å; W601-L604 HydrophobicContact CZ3-CD1 4.42Å; W601-L604 CarbonylContact O-C 3.57Å; W601-L604 PolarHBondContact O-N 2.99Å; W601-L604 VanDerWaalsContact O-N 3.13Å; W601-G605 PolarHBondContact O-N 3.16Å; W601-G606 VanDerWaalsContact O-CA 3.29Å; W601-G606 WeakPolarHBondContact O-CA 3.25Å; W601-G606 PolarHBondContact O-N 3.19Å; W601-K607 HydrophobicContact CD2-CB 3.87Å; W601-K607 HydrophobicContact CD2-CD 4.34Å; W601-K607 HydrophobicContact CD2-CG 3.97Å; W601-K607 HydrophobicContact CE3-CB 4.02Å; W601-K607 HydrophobicContact CE3-CG 4.08Å; W601-K607 HydrophobicContact CG-CB 4.12Å; W601-K607 HydrophobicContact CH2-CG 4.25Å; W601-K607 HydrophobicContact CZ2-CD 4.12Å; W601-K607 HydrophobicContact CZ2-CG 4.11Å; W601-K607 HydrophobicContact CZ3-CG 4.23Å; W601-Y610 HydrophobicContact CH2-CE1 4.02Å |
| 602 | A | 93.8 | Very high | 86.1 | Confident | 73 Ų | 73 | 70.5 Ų | 70.5 | 60% | 0.603 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -60.7 | -42.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | D598 Q599 L604 G605 | D598-A602 WeakPolarHBondContact O-CB 3.43Å; D598-A602 PolarHBondContact O-N 3.12Å; Q599-A602 PolarHBondContact O-N 3.42Å; A602-L604 PolarHBondContact O-N 2.79Å; A602-G605 PolarHBondContact O-N 3.04Å; A602-G605 VanDerWaalsContact O-N 3.1Å |
| 603 | A | 93 | Very high | 84.2 | Confident | 31 Ų | 31 | 68.1 Ų | 68.1 | 26% | 0.256 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.8 | -23.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L554 Q599 F600 W601 | L554-A603 HydrophobicContact CD2-CB 3.88Å; Q599-A603 PolarHBondContact O-N 3.42Å; F600-A603 PolarHBondContact O-N 2.74Å; W601-A603 VanDerWaalsContact C-N 3.33Å; W601-A603 PolarHBondContact O-N 2.7Å |
| 604 | L | 89 | Confident | 82.4 | Confident | 4 Ų | 4 | 71.2 Ų | 71.2 | 2% | 0.021 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 11.6 | 175.7 | -68.5 | 177 | 0 | 0 | 0 | 114.1 | L523 A541 V542 A543 L546 L554 F600 W601 A602 | L523-L604 HydrophobicContact CD1-CD2 4.38Å; L523-L604 HydrophobicContact CD2-CD2 4.07Å; A541-L604 HydrophobicContact CB-CD2 4.34Å; V542-L604 WeakPolarHBondContact CA-O 3.39Å; A543-L604 HydrophobicContact CB-CB 4.19Å; A543-L604 PolarHBondContact N-O 3.03Å; L546-L604 HydrophobicContact CD1-CD1 4.12Å; L554-L604 HydrophobicContact CD1-CD2 3.81Å; L554-L604 HydrophobicContact CD1-CG 4.49Å; L554-L604 HydrophobicContact CD2-CD2 4.25Å; L554-L604 HydrophobicContact CD2-CG 4.05Å; F600-L604 HydrophobicContact CD1-CD1 4.17Å; F600-L604 HydrophobicContact CE1-CD1 3.55Å; F600-L604 HydrophobicContact CE2-CD1 4.33Å; F600-L604 HydrophobicContact CZ-CD1 3.65Å; F600-L604 PolarHBondContact O-N 2.94Å; W601-L604 HydrophobicContact CE3-CD1 4.45Å; W601-L604 HydrophobicContact CZ3-CD1 4.42Å; W601-L604 CarbonylContact O-C 3.57Å; W601-L604 PolarHBondContact O-N 2.99Å; W601-L604 VanDerWaalsContact O-N 3.13Å; A602-L604 PolarHBondContact O-N 2.79Å |
| 605 | G | 91.4 | Very high | 80.5 | Confident | 78 Ų | 78 | 72.8 Ų | 72.8 | 80% | 0.804 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.8 | 20.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | W601 A602 | W601-G605 PolarHBondContact O-N 3.16Å; A602-G605 PolarHBondContact O-N 3.04Å; A602-G605 VanDerWaalsContact O-N 3.1Å |
| 606 | G | 91.7 | Very high | 78.5 | Confident | 30 Ų | 30 | 74.5 Ų | 74.5 | 31% | 0.309 | 42% | 0.415 | S | S | . | . | S | Bend | trans | 103.4 | 168.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A543 W601 | A543-G606 WeakPolarHBondContact CB-O 3.4Å; W601-G606 VanDerWaalsContact O-CA 3.29Å; W601-G606 WeakPolarHBondContact O-CA 3.25Å; W601-G606 PolarHBondContact O-N 3.19Å |
| 607 | K | 90.8 | Very high | 76.3 | Confident | 144 Ų | 144 | 82.1 Ų | 82.1 | 63% | 0.626 | 45% | 0.447 | S | S | * | . | trans | -77 | 132.8 | 177.5 | -169.9 | 171.1 | -173.9 | 167.7 | 0 | 110.6 | W601 | W601-K607 HydrophobicContact CD2-CB 3.87Å; W601-K607 HydrophobicContact CD2-CD 4.34Å; W601-K607 HydrophobicContact CD2-CG 3.97Å; W601-K607 HydrophobicContact CE3-CB 4.02Å; W601-K607 HydrophobicContact CE3-CG 4.08Å; W601-K607 HydrophobicContact CG-CB 4.12Å; W601-K607 HydrophobicContact CH2-CG 4.25Å; W601-K607 HydrophobicContact CZ2-CD 4.12Å; W601-K607 HydrophobicContact CZ2-CG 4.11Å; W601-K607 HydrophobicContact CZ3-CG 4.23Å | ||
| 608 | A | 78 | Confident | 74.3 | Confident | 45 Ų | 45 | 81.8 Ų | 81.8 | 37% | 0.372 | 44% | 0.444 | S | S | . | . | trans | -135 | 167.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | A543 Y610 | A543-A608 HydrophobicContact CB-CB 3.95Å; A608-Y610 WeakPolarHBondContact O-CD1 3.36Å | ||
| 609 | E | 70.6 | Confident | 72.9 | Confident | 187 Ų | 187 | 79.2 Ų | 79.2 | 87% | 0.874 | 43% | 0.426 | S | S | * | . | trans | -68.6 | 140 | 169.2 | -66.2 | -171.4 | 159.6 | 0 | 0 | 110.5 | S544 | S544-E609 WeakPolarHBondContact CA-O 3.33Š| ||
| 610 | Y | 69.6 | Low | 71.5 | Confident | 48 Ų | 48 | 75.1 Ų | 75.1 | 19% | 0.188 | 41% | 0.407 | C | S | . | . | trans | -142.5 | 175.1 | -179.9 | 64.5 | -95.8 | 0 | 0 | 0 | 110.5 | A543 L546 W563 E593 W601 A608 T612 | A543-Y610 WeakPolarHBondContact O-CB 3.31Å; L546-Y610 HydrophobicContact CB-CD1 4.32Å; L546-Y610 HydrophobicContact CB-CD2 3.83Å; L546-Y610 HydrophobicContact CB-CE2 4.45Å; L546-Y610 HydrophobicContact CB-CG 3.78Å; L546-Y610 WeakPolarHBondContact O-CB 3.35Å; W563-Y610 HydrophobicContact CH2-CE2 4.18Å; W563-Y610 HydrophobicContact CZ2-CE2 4.22Å; E593-Y610 WeakPolarHBondContact CG-OH 3.49Å; E593-Y610 VanDerWaalsContact OE1-CE2 3.24Å; E593-Y610 WeakPolarHBondContact OE1-CE2 3.38Å; E593-Y610 PolarHBondContact OE1-OH 3.14Å; W601-Y610 HydrophobicContact CH2-CE1 4.02Å; A608-Y610 WeakPolarHBondContact O-CD1 3.36Å; Y610-T612 HydrophobicContact CD2-CG2 4.3Å; Y610-T612 HydrophobicContact CE2-CG2 3.94Å | ||
| 611 | R | 56.1 | Low | 70 | Confident | 152 Ų | 152 | 75 Ų | 75 | 57% | 0.574 | 41% | 0.406 | S | S | * | . | B | Isolated β-bridge | trans | -79.6 | 124.3 | -169.8 | -174.6 | 179.5 | -63.1 | -172.1 | 2.1 | 112 | L546 N547 S548 | L546-R611 PolarHBondContact O-N 2.95Å; N547-R611 CarbonylContact C-O 3.46Å; N547-R611 VanDerWaalsContact CA-O 3.29Å; N547-R611 WeakPolarHBondContact CA-O 3.4Å; N547-R611 PolarHBondContact OD1-O 3.38Å; S548-R611 PolarHBondContact N-O 2.97Å; S548-R611 PolarHBondContact OG-O 2.99Å |
| 612 | T | 63.1 | Low | 68.6 | Low | 95 Ų | 95 | 75.1 Ų | 75.1 | 58% | 0.583 | 41% | 0.411 | S | S | * | . | trans | -119.6 | 7.3 | -178.8 | 58.4 | 0 | 0 | 0 | 0 | 114.8 | S548 Y610 | S548-T612 VanDerWaalsContact OG-CA 3.31Å; S548-T612 WeakPolarHBondContact OG-CA 3.24Å; S548-T612 VanDerWaalsContact OG-CG2 3.31Å; S548-T612 WeakPolarHBondContact OG-CG2 3.37Å; Y610-T612 HydrophobicContact CD2-CG2 4.3Å; Y610-T612 HydrophobicContact CE2-CG2 3.94Å | ||
| 613 | S | 54 | Low | 67.6 | Low | 25 Ų | 25 | 74.4 Ų | 74.4 | 18% | 0.175 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -75.3 | 130.4 | -171.4 | 60.1 | 0 | 0 | 0 | 0 | 113.9 | N549 R615 | N549-S613 PolarHBondContact ND2-O 3.06Å; N549-S613 PolarHBondContact OD1-O 3.44Å; S613-R615 PolarHBondContact O-N 3.38Å |
| 614 | T | 50.9 | Low | 66.5 | Low | 101 Ų | 101 | 73.8 Ų | 73.8 | 62% | 0.62 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 124.8 | 174.4 | 45 | 0 | 0 | 0 | 0 | 112.8 | ||
| 615 | R | 50 | Low | 65.9 | Low | 99 Ų | 99 | 73.9 Ų | 73.9 | 37% | 0.374 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 133.1 | 176.8 | 179.4 | 175.6 | 139.3 | 178.4 | -4.7 | 111.6 | S528 N549 S613 K617 | S528-R615 PolarHBondContact O-NH1 2.82Å; S528-R615 PolarHBondContact O-NH2 2.84Å; N549-R615 PolarHBondContact OD1-N 2.97Å; S613-R615 PolarHBondContact O-N 3.38Å; R615-K617 PolarHBondContact O-N 2.85Å |
| 616 | L | 47.5 | Very low | 65.5 | Low | 85 Ų | 85 | 72.7 Ų | 72.7 | 45% | 0.445 | 36% | 0.361 | S | S | . | . | trans | -71.7 | 109.9 | 168 | -71.3 | 163.1 | 0 | 0 | 0 | 108.7 | D618 | L616-D618 VanDerWaalsContact C-N 3.3Š| ||
| 617 | K | 47.4 | Very low | 65.1 | Low | 185 Ų | 185 | 71.4 Ų | 71.4 | 80% | 0.804 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -77.3 | -16 | 175.4 | -72.4 | -179.5 | 177.9 | 177.7 | 0 | 112.6 | R615 | R615-K617 PolarHBondContact O-N 2.85Š|
| 618 | D | 52.1 | Low | 64.8 | Low | 57 Ų | 57 | 65 Ų | 65 | 31% | 0.305 | 32% | 0.319 | S | S | . | . | trans | -111 | 87.3 | 180 | -99.7 | -38.4 | 0 | 0 | 0 | 111.7 | K368 L616 | K368-D618 IonicContact NZ-OD1 3.27Å; K368-D618 PolarHBondContact NZ-OD1 2.86Å; K368-D618 IonicContact NZ-OD2 3.99Å; K368-D618 PolarHBondContact NZ-OD2 2.79Å; L616-D618 VanDerWaalsContact C-N 3.3Å | ||
| 619 | K | 61.7 | Low | 64.8 | Low | 91 Ų | 91 | 63.1 Ų | 63.1 | 40% | 0.396 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -86.4 | -28.1 | -173.3 | -64.6 | -177.9 | -172.3 | 171.8 | 0 | 114.9 | D621 A622 H623 E663 | K619-D621 VanDerWaalsContact C-N 3.27Å; K619-D621 PolarHBondContact O-N 3.32Å; K619-A622 PolarHBondContact O-N 2.88Å; K619-H623 PolarHBondContact O-N 3.25Å; K619-E663 WeakPolarHBondContact CD-OE1 3.32Å; K619-E663 IonicContact NZ-OE1 3.59Å; K619-E663 PolarHBondContact NZ-OE1 3.39Å |
| 620 | M | 61.8 | Low | 65 | Low | 25 Ų | 25 | 54.3 Ų | 54.3 | 12% | 0.123 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.3 | -35 | -174.3 | -171.7 | 179.2 | 78.3 | 0 | 0 | 112.8 | I363 I366 K368 Q385 H623 P624 W717 | I363-M620 HydrophobicContact CD1-CG 4.36Å; I366-M620 HydrophobicContact CG2-CE 4.47Å; K368-M620 HydrophobicContact CD-CE 4.46Å; K368-M620 HydrophobicContact CG-CE 3.75Å; Q385-M620 HydrophobicContact CG-SD 4.4Å; M620-H623 CarbonylContact O-C 3.1Å; M620-P624 WeakPolarHBondContact O-CA 3.34Å; M620-W717 HydrophobicContact CG-CH2 4.37Å; M620-W717 HydrophobicContact CG-CZ3 4.44Å; M620-W717 HydrophobicContact SD-CH2 4.03Å; M620-W717 HydrophobicContact SD-CZ3 3.83Å |
| 621 | D | 63 | Low | 64.9 | Low | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -76.7 | -34.1 | -179.3 | -62.1 | -28.7 | 0 | 0 | 0 | 111.5 | R53 V356 K368 K619 | R53-D621 IonicContact NE-OD1 3Å; V356-D621 HydrophobicContact CB-CB 4.11Å; V356-D621 HydrophobicContact CG1-CB 3.65Å; V356-D621 HydrophobicContact CG2-CB 3.55Å; K368-D621 WeakPolarHBondContact CE-OD2 3.39Å; K368-D621 IonicContact NZ-OD1 3.66Å; K368-D621 IonicContact NZ-OD2 2.74Å; K368-D621 PolarHBondContact NZ-OD2 3.31Å; K619-D621 VanDerWaalsContact C-N 3.27Å; K619-D621 PolarHBondContact O-N 3.32Å |
| 622 | A | 64.4 | Low | 65 | Low | 21 Ų | 21 | 47.9 Ų | 47.9 | 17% | 0.174 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -75.9 | -33.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | P336 K619 | P336-A622 WeakPolarHBondContact CB-O 3.28Å; K619-A622 PolarHBondContact O-N 2.88Å |
| 623 | H | 73.3 | Confident | 64.5 | Low | 58 Ų | 58 | 48.2 Ų | 48.2 | 27% | 0.269 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -134.6 | 80.8 | -179.6 | -54.2 | -66.1 | 0 | 0 | 0 | 109.7 | K619 M620 W662 | K619-H623 PolarHBondContact O-N 3.25Å; M620-H623 CarbonylContact O-C 3.1Å; H623-W662 HydrophobicContact CB-CB 3.62Å; H623-W662 HydrophobicContact CB-CD2 3.69Å; H623-W662 HydrophobicContact CB-CE3 3.94Å; H623-W662 HydrophobicContact CB-CG 3.55Å; H623-W662 AromaticContact CD2-CD1 3.68Å; H623-W662 AromaticContact CD2-CD2 3.78Å; H623-W662 AromaticContact CD2-CE2 3.55Å; H623-W662 AromaticContact CD2-CG 3.86Å; H623-W662 AromaticContact CD2-NE1 3.46Å; H623-W662 PolarHBondContact CD2-NE1 3.4Å; H623-W662 AromaticContact CE1-CE2 3.62Å; H623-W662 AromaticContact CE1-CH2 3.58Å; H623-W662 AromaticContact CE1-CZ2 3.38Å; H623-W662 WeakPolarHBondContact CE1-CZ2 3.43Å; H623-W662 AromaticContact CG-CD1 3.95Å; H623-W662 AromaticContact CG-CD2 3.4Å; H623-W662 VanDerWaalsContact CG-CD2 3.4Å; H623-W662 AromaticContact CG-CE2 3.62Å; H623-W662 AromaticContact CG-CE3 3.76Å; H623-W662 AromaticContact CG-CG 3.65Å; H623-W662 AromaticContact CG-NE1 3.92Å; H623-W662 AromaticContact ND1-CD2 3.61Å; H623-W662 AromaticContact ND1-CE2 3.66Å; H623-W662 AromaticContact ND1-CE3 3.58Å; H623-W662 AromaticContact ND1-CH2 3.68Å; H623-W662 AromaticContact ND1-CZ2 3.72Å; H623-W662 AromaticContact ND1-CZ3 3.6Å; H623-W662 AromaticContact NE2-CE2 3.55Å; H623-W662 AromaticContact NE2-CZ2 3.63Å; H623-W662 AromaticContact NE2-NE1 3.68Å |
| 624 | P | 70.3 | Confident | 64.2 | Low | 19 Ų | 19 | 49.7 Ų | 49.7 | 12% | 0.123 | 25% | 0.246 | C | C | . | . | trans | -64.8 | 146.4 | 179.7 | 27.4 | -35.2 | 0 | 0 | 0 | 110.9 | P336 A360 I363 M620 | P336-P624 HydrophobicContact CB-CG 4.25Å; P336-P624 HydrophobicContact CG-CG 4.19Å; A360-P624 HydrophobicContact CB-CB 4.33Å; A360-P624 HydrophobicContact CB-CG 4.21Å; I363-P624 HydrophobicContact CD1-CB 3.78Å; I363-P624 HydrophobicContact CG1-CB 4.33Å; I363-P624 HydrophobicContact CG2-CB 4.28Å; M620-P624 WeakPolarHBondContact O-CA 3.34Å | ||
| 625 | P | 76.1 | Confident | 64.1 | Low | 6 Ų | 6 | 47.9 Ų | 47.9 | 4% | 0.039 | 25% | 0.247 | C | C | . | . | trans | -59.8 | 142.3 | 172.2 | -18.3 | 27.9 | 0 | 0 | 0 | 112.1 | M646 L659 D660 T661 W717 | P625-M646 HydrophobicContact CB-CE 3.98Å; P625-M646 HydrophobicContact CB-SD 4.34Å; P625-L659 HydrophobicContact CB-CD1 4.15Å; P625-D660 CarbonylContact C-O 3.35Å; P625-D660 VanDerWaalsContact CA-O 3.24Å; P625-D660 WeakPolarHBondContact CA-O 3.33Å; P625-T661 HydrophobicContact CB-CG2 4.31Å; P625-W717 HydrophobicContact CB-CD2 4.48Å; P625-W717 HydrophobicContact CB-CE3 4.38Å; P625-W717 HydrophobicContact CG-CD2 3.97Å; P625-W717 HydrophobicContact CG-CE3 3.56Å; P625-W717 HydrophobicContact CG-CH2 3.66Å; P625-W717 HydrophobicContact CG-CZ2 4.07Å; P625-W717 HydrophobicContact CG-CZ3 3.4Å; P625-W717 VanDerWaalsContact CG-CZ3 3.4Å | ||
| 626 | R | 82.9 | Confident | 64.2 | Low | 53 Ų | 53 | 48.2 Ų | 48.2 | 20% | 0.2 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 132.3 | -178.5 | -64.6 | 170.9 | 72.7 | -164.8 | 1.7 | 110.4 | F628 E641 L659 D660 | R626-F628 HydrophobicContact CB-CD2 4.36Å; R626-F628 HydrophobicContact CB-CE2 3.43Å; R626-F628 VanDerWaalsContact CB-CE2 3.43Å; R626-F628 HydrophobicContact CB-CZ 3.72Å; R626-E641 IonicContact CZ-OE1 2.81Å; R626-E641 IonicContact CZ-OE2 3.14Å; R626-E641 IonicContact NE-OE1 2.92Å; R626-E641 PolarHBondContact NE-OE1 2.9Å; R626-E641 IonicContact NE-OE2 2.69Å; R626-E641 VanDerWaalsContact NH2-CD 3.29Å; R626-E641 IonicContact NH2-OE1 3.86Å; R626-E641 PolarHBondContact NH2-OE1 2.82Å; R626-E641 IonicContact NH2-OE2 2.67Å; R626-E641 PolarHBondContact NH2-OE2 2.92Å; R626-L659 WeakPolarHBondContact O-CA 3.36Å; R626-D660 PolarHBondContact N-O 2.88Å; R626-D660 PolarHBondContact O-N 3.18Å |
| 627 | L | 83 | Confident | 64.7 | Low | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.016 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 133.1 | 178.1 | -177.4 | 67.4 | 0 | 0 | 0 | 110 | V642 M646 D650 L651 M657 I658 L659 F718 | L627-V642 HydrophobicContact CB-CB 4.33Å; L627-V642 HydrophobicContact CD2-CB 4.12Å; L627-V642 HydrophobicContact CD2-CG1 4.34Å; L627-V642 HydrophobicContact CD2-CG2 4.18Å; L627-V642 HydrophobicContact CG-CB 4.2Å; L627-V642 HydrophobicContact CG-CG2 4.12Å; L627-V642 PolarHBondContact O-N 2.75Å; L627-M646 HydrophobicContact CB-CG 4.07Å; L627-M646 HydrophobicContact CB-SD 4.2Å; L627-D650 HydrophobicContact CD2-CB 3.93Å; L627-L651 HydrophobicContact CD1-CD2 4.29Å; L627-M657 HydrophobicContact CD1-CB 4.24Å; L627-M657 HydrophobicContact CD1-CE 4.36Å; L627-M657 HydrophobicContact CD2-CE 4.28Å; L627-M657 HydrophobicContact CG-CE 4.21Å; L627-I658 CarbonylContact C-O 3.58Å; L627-I658 WeakPolarHBondContact CA-O 3.29Å; L627-L659 HydrophobicContact CD1-CB 4.14Å; L627-F718 HydrophobicContact CD2-CE1 4.38Å |
| 628 | F | 85.3 | Confident | 65.5 | Low | 9 Ų | 9 | 38.7 Ų | 38.7 | 4% | 0.039 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 153.8 | 179.1 | -54.4 | -96.5 | 0 | 0 | 0 | 110.6 | R626 I639 E640 E641 M657 I658 D660 Y688 | R626-F628 HydrophobicContact CB-CD2 4.36Å; R626-F628 HydrophobicContact CB-CE2 3.43Å; R626-F628 VanDerWaalsContact CB-CE2 3.43Å; R626-F628 HydrophobicContact CB-CZ 3.72Å; F628-I639 HydrophobicContact CB-CG2 3.6Å; F628-I639 HydrophobicContact CD1-CG2 3.8Å; F628-I639 HydrophobicContact CG-CG2 3.92Å; F628-E640 CarbonylContact C-O 3.54Å; F628-E640 VanDerWaalsContact CA-O 3.28Å; F628-E640 WeakPolarHBondContact CA-O 3.36Å; F628-E641 HydrophobicContact CD1-CB 3.66Å; F628-E641 HydrophobicContact CD1-CG 4.08Å; F628-E641 HydrophobicContact CE1-CB 3.67Å; F628-E641 HydrophobicContact CE1-CG 3.85Å; F628-E641 HydrophobicContact CZ-CG 4.4Å; F628-M657 CarbonylContact O-C 3.48Å; F628-M657 VanDerWaalsContact O-CA 3.28Å; F628-M657 WeakPolarHBondContact O-CA 3.41Å; F628-I658 HydrophobicContact CB-CB 4.22Å; F628-I658 HydrophobicContact CD2-CG2 4.21Å; F628-I658 PolarHBondContact N-O 2.86Å; F628-I658 PolarHBondContact O-N 3.15Å; F628-D660 HydrophobicContact CE2-CB 4.23Å; F628-Y688 HydrophobicContact CD1-CE2 4.43Å; F628-Y688 HydrophobicContact CD2-CE2 4.04Å; F628-Y688 HydrophobicContact CE1-CE2 4.23Å; F628-Y688 AromaticContact CE2-CE2 3.81Å; F628-Y688 HydrophobicContact CE2-CE2 3.81Å; F628-Y688 AromaticContact CE2-CZ 3.68Å; F628-Y688 WeakPolarHBondContact CE2-OH 3.49Å; F628-Y688 HydrophobicContact CG-CE2 4.34Å; F628-Y688 AromaticContact CZ-CE2 3.9Å; F628-Y688 HydrophobicContact CZ-CE2 3.9Å; F628-Y688 WeakPolarHBondContact CZ-OH 3.47Å |
| 629 | A | 78.8 | Confident | 66.4 | Low | 5 Ų | 5 | 36.5 Ų | 36.5 | 4% | 0.041 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 134.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110 | R145 I639 E640 M657 | R145-A629 HydrophobicContact CG-CB 4.4Å; A629-I639 WeakPolarHBondContact O-CA 3.24Å; A629-E640 PolarHBondContact N-O 3.42Å; A629-E640 PolarHBondContact O-N 3.22Å; A629-M657 HydrophobicContact CB-CE 4.16Å; A629-M657 HydrophobicContact CB-SD 4.13Å |
| 630 | C | 74.6 | Confident | 67 | Low | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.02 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 130.9 | 175.2 | -61.2 | 0 | 0 | 0 | 0 | 108.9 | F637 V656 I658 | C630-F637 HydrophobicContact CB-CE2 3.67Å; C630-F637 HydrophobicContact CB-CZ 3.52Å; C630-V656 HydrophobicContact CB-CB 4.23Å; C630-V656 HydrophobicContact CB-CG1 4.37Å; C630-V656 WeakPolarHBondContact CB-O 3.12Å; C630-V656 PolarHBondContact N-O 2.87Å; C630-I658 WeakPolarHBondContact SG-CD1 3.26Å; C630-I658 WeakPolarHBondContact SG-CG1 3.43Å |
| 631 | S | 66.6 | Low | 67.8 | Low | 26 Ų | 26 | 36.6 Ų | 36.6 | 18% | 0.182 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 141.3 | 170.1 | -169.6 | 0 | 0 | 0 | 0 | 112 | K633 I638 E677 | S631-K633 PolarHBondContact OG-N 3.03Å; S631-I638 PolarHBondContact N-O 3.37Å; S631-I638 PolarHBondContact O-N 2.78Å; S631-E677 WeakPolarHBondContact CA-OE1 3.32Å; S631-E677 PolarHBondContact OG-OE1 3.19Å |
| 632 | N | 57.4 | Low | 68.4 | Low | 39 Ų | 39 | 37 Ų | 37 | 21% | 0.209 | 21% | 0.206 | C | C | . | . | trans | -114.9 | 14.5 | 172 | -160.8 | 9.9 | 0 | 0 | 0 | 112.4 | T634 G635 N636 F637 E677 E680 | N632-T634 PolarHBondContact O-N 2.87Å; N632-G635 PolarHBondContact O-N 3.35Å; N632-N636 PolarHBondContact OD1-N 3.29Å; N632-F637 HydrophobicContact CB-CD2 4.46Å; N632-E677 HydrophobicContact CB-CG 4.33Å; N632-E677 PolarHBondContact N-OE1 3Å; N632-E680 PolarHBondContact ND2-OE2 3.27Å | ||
| 633 | K | 52.6 | Low | 68.7 | Low | 102 Ų | 102 | 36.7 Ų | 36.7 | 44% | 0.443 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -21 | -175.8 | -77.9 | 179.7 | 177.7 | 172 | 0 | 114.6 | R144 S631 D654 | R144-K633 VanDerWaalsContact NH2-NZ 3.16Å; S631-K633 PolarHBondContact OG-N 3.03Å; K633-D654 IonicContact NZ-OD2 3.64Å |
| 634 | T | 49 | Very low | 68.4 | Low | 55 Ų | 55 | 34.7 Ų | 34.7 | 34% | 0.337 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 1.4 | -179.7 | 67.2 | 0 | 0 | 0 | 0 | 113.8 | D236 N632 N636 I638 | D236-T634 HydrophobicContact CB-CG2 4.09Å; D236-T634 WeakPolarHBondContact OD1-CG2 3.46Å; D236-T634 WeakPolarHBondContact OD2-CG2 3.44Å; N632-T634 PolarHBondContact O-N 2.87Å; T634-N636 PolarHBondContact O-N 2.8Å; T634-N636 PolarHBondContact OG1-N 2.92Å; T634-N636 PolarHBondContact OG1-O 3.47Å; T634-I638 HydrophobicContact CG2-CD1 4.34Å |
| 635 | G | 48 | Very low | 68.2 | Low | 63 Ų | 63 | 36.3 Ų | 36.3 | 65% | 0.649 | 20% | 0.203 | S | C | * | . | S | Bend | trans | 76.1 | -3.6 | -169 | 0 | 0 | 0 | 0 | 0 | 114.2 | N632 | N632-G635 PolarHBondContact O-N 3.35Š|
| 636 | N | 53.4 | Low | 68 | Low | 107 Ų | 107 | 36.7 Ų | 36.7 | 57% | 0.572 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -113.9 | 135.8 | 165.7 | -70.9 | -46.8 | 0 | 0 | 0 | 109.1 | N632 T634 I638 | N632-N636 PolarHBondContact OD1-N 3.29Å; T634-N636 PolarHBondContact O-N 2.8Å; T634-N636 PolarHBondContact OG1-N 2.92Å; T634-N636 PolarHBondContact OG1-O 3.47Å; N636-I638 PolarHBondContact O-N 2.8Å |
| 637 | F | 58 | Low | 67.2 | Low | 31 Ų | 31 | 36.4 Ų | 36.4 | 14% | 0.136 | 21% | 0.208 | C | C | . | . | trans | -73.4 | 115.9 | 176.3 | -173.1 | -105.1 | 0 | 0 | 0 | 110.9 | C630 N632 I639 S684 | C630-F637 HydrophobicContact CB-CE2 3.67Å; C630-F637 HydrophobicContact CB-CZ 3.52Å; N632-F637 HydrophobicContact CB-CD2 4.46Å; F637-I639 HydrophobicContact CD1-CD1 4.42Å; F637-I639 HydrophobicContact CD1-CG1 4.02Å; F637-I639 HydrophobicContact CE1-CD1 3.65Å; F637-I639 HydrophobicContact CE1-CG1 3.33Å; F637-I639 HydrophobicContact CZ-CD1 4.48Å; F637-I639 HydrophobicContact CZ-CG1 3.96Å; F637-S684 WeakPolarHBondContact CE2-OG 3.37Å; F637-S684 VanDerWaalsContact CZ-OG 3.26Å; F637-S684 WeakPolarHBondContact CZ-OG 3.14Å | ||
| 638 | I | 63.9 | Low | 66.8 | Low | 39 Ų | 39 | 36.8 Ų | 36.8 | 20% | 0.2 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 134.3 | -179.2 | -57.3 | 172.3 | 0 | 0 | 0 | 109.1 | S631 T634 N636 | S631-I638 PolarHBondContact N-O 3.37Å; S631-I638 PolarHBondContact O-N 2.78Å; T634-I638 HydrophobicContact CG2-CD1 4.34Å; N636-I638 PolarHBondContact O-N 2.8Å |
| 639 | I | 71 | Confident | 66 | Low | 10 Ų | 10 | 39 Ų | 39 | 5% | 0.051 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 117.9 | 173.2 | -51.7 | 177.5 | 0 | 0 | 0 | 108.6 | R244 F628 A629 F637 Y688 | R244-I639 PolarHBondContact NH1-O 2.88Å; R244-I639 PolarHBondContact NH2-O 3.44Å; F628-I639 HydrophobicContact CB-CG2 3.6Å; F628-I639 HydrophobicContact CD1-CG2 3.8Å; F628-I639 HydrophobicContact CG-CG2 3.92Å; A629-I639 WeakPolarHBondContact O-CA 3.24Å; F637-I639 HydrophobicContact CD1-CD1 4.42Å; F637-I639 HydrophobicContact CD1-CG1 4.02Å; F637-I639 HydrophobicContact CE1-CD1 3.65Å; F637-I639 HydrophobicContact CE1-CG1 3.33Å; F637-I639 HydrophobicContact CZ-CD1 4.48Å; F637-I639 HydrophobicContact CZ-CG1 3.96Å; I639-Y688 HydrophobicContact CD1-CD2 3.64Å; I639-Y688 HydrophobicContact CD1-CG 4.12Å; I639-Y688 HydrophobicContact CG2-CD2 4.2Å |
| 640 | E | 73.1 | Confident | 65.8 | Low | 76 Ų | 76 | 39.1 Ų | 39.1 | 36% | 0.355 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 126.8 | 178.7 | -166.4 | -170.4 | 170.9 | 0 | 0 | 111.3 | K104 R145 F628 A629 | K104-E640 IonicContact NZ-OE1 3.96Å; K104-E640 PolarHBondContact NZ-OE1 2.88Å; K104-E640 VanDerWaalsContact NZ-OE1 3.08Å; R145-E640 WeakPolarHBondContact CG-OE2 3.46Å; F628-E640 CarbonylContact C-O 3.54Å; F628-E640 VanDerWaalsContact CA-O 3.28Å; F628-E640 WeakPolarHBondContact CA-O 3.36Å; A629-E640 PolarHBondContact N-O 3.42Å; A629-E640 PolarHBondContact O-N 3.22Å |
| 641 | E | 78.6 | Confident | 66.2 | Low | 42 Ų | 42 | 39.2 Ų | 39.2 | 20% | 0.196 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 136.2 | 175.8 | -169.7 | 169.5 | -164.3 | 0 | 0 | 112.1 | K104 R626 F628 | K104-E641 PolarHBondContact NZ-O 2.94Å; R626-E641 IonicContact CZ-OE1 2.81Å; R626-E641 IonicContact CZ-OE2 3.14Å; R626-E641 IonicContact NE-OE1 2.92Å; R626-E641 PolarHBondContact NE-OE1 2.9Å; R626-E641 IonicContact NE-OE2 2.69Å; R626-E641 VanDerWaalsContact NH2-CD 3.29Å; R626-E641 IonicContact NH2-OE1 3.86Å; R626-E641 PolarHBondContact NH2-OE1 2.82Å; R626-E641 IonicContact NH2-OE2 2.67Å; R626-E641 PolarHBondContact NH2-OE2 2.92Å; F628-E641 HydrophobicContact CD1-CB 3.66Å; F628-E641 HydrophobicContact CD1-CG 4.08Å; F628-E641 HydrophobicContact CE1-CB 3.67Å; F628-E641 HydrophobicContact CE1-CG 3.85Å; F628-E641 HydrophobicContact CZ-CG 4.4Å |
| 642 | V | 76 | Confident | 66.9 | Low | 11 Ų | 11 | 38.1 Ų | 38.1 | 7% | 0.067 | 22% | 0.215 | C | C | . | . | trans | -88.3 | 115.3 | 172.1 | -175.6 | 0 | 0 | 0 | 0 | 108.8 | L627 D650 M657 | L627-V642 HydrophobicContact CB-CB 4.33Å; L627-V642 HydrophobicContact CD2-CB 4.12Å; L627-V642 HydrophobicContact CD2-CG1 4.34Å; L627-V642 HydrophobicContact CD2-CG2 4.18Å; L627-V642 HydrophobicContact CG-CB 4.2Å; L627-V642 HydrophobicContact CG-CG2 4.12Å; L627-V642 PolarHBondContact O-N 2.75Å; V642-D650 HydrophobicContact CG1-CB 4Å; V642-M657 HydrophobicContact CG2-CE 3.85Å | ||
| 643 | P | 71.1 | Confident | 68.1 | Low | 13 Ų | 13 | 37.4 Ų | 37.4 | 8% | 0.084 | 21% | 0.212 | C | C | . | . | trans | -80.4 | 157 | -174.4 | 30.4 | -33.3 | 0 | 0 | 0 | 113.9 | K104 L107 K111 V146 | K104-P643 HydrophobicContact CB-CB 4.07Å; K104-P643 HydrophobicContact CD-CB 4.09Å; K104-P643 HydrophobicContact CD-CG 4.24Å; K104-P643 VanDerWaalsContact O-CB 3.23Å; K104-P643 WeakPolarHBondContact O-CB 3.49Å; L107-P643 HydrophobicContact CB-CB 4.24Å; L107-P643 HydrophobicContact CB-CG 4.09Å; K111-P643 PolarHBondContact NZ-O 3.12Å; V146-P643 HydrophobicContact CG2-CG 3.73Å | ||
| 644 | G | 66.6 | Low | 69.4 | Low | 16 Ų | 16 | 33.8 Ų | 33.8 | 17% | 0.165 | 20% | 0.197 | C | C | . | . | S | Bend | trans | 85.3 | -165.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | S362 | S362-G644 VanDerWaalsContact CB-O 3.3Å; S362-G644 WeakPolarHBondContact CB-O 3.49Å |
| 645 | E | 65.8 | Low | 70.8 | Confident | 54 Ų | 54 | 31.2 Ų | 31.2 | 25% | 0.252 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -60.3 | 134 | 175.3 | -68.7 | 174.7 | -165.1 | 0 | 0 | 110.7 | K111 K365 T647 | K111-E645 WeakPolarHBondContact CE-O 3.27Å; K111-E645 PolarHBondContact NZ-O 2.97Å; K365-E645 WeakPolarHBondContact CD-OE1 3.32Å; K365-E645 WeakPolarHBondContact CE-OE1 3.46Å; K365-E645 IonicContact NZ-OE1 3.4Å; K365-E645 PolarHBondContact NZ-OE1 3.11Å; K365-E645 IonicContact NZ-OE2 2.88Å; E645-T647 PolarHBondContact O-N 3.42Å |
| 646 | M | 72 | Confident | 72.6 | Confident | 14 Ų | 14 | 28.3 Ų | 28.3 | 7% | 0.069 | 15% | 0.151 | C | C | . | . | trans | -75.9 | 120.6 | -179.7 | -62.3 | 167.1 | -67.2 | 0 | 0 | 109.4 | P625 L627 L659 W717 F718 | P625-M646 HydrophobicContact CB-CE 3.98Å; P625-M646 HydrophobicContact CB-SD 4.34Å; L627-M646 HydrophobicContact CB-CG 4.07Å; L627-M646 HydrophobicContact CB-SD 4.2Å; M646-L659 HydrophobicContact SD-CD1 3.56Å; M646-L659 VanDerWaalsContact SD-CD1 3.56Å; M646-W717 HydrophobicContact CE-CB 4.39Å; M646-F718 HydrophobicContact CB-CD1 3.98Å; M646-F718 HydrophobicContact CB-CE1 3.93Å | ||
| 647 | T | 67.2 | Low | 74.3 | Confident | 46 Ų | 46 | 23.3 Ų | 23.3 | 28% | 0.282 | 12% | 0.124 | S | C | . | . | trans | -121.3 | 156.4 | 176.8 | 61.9 | 0 | 0 | 0 | 0 | 111.2 | E645 D649 D650 F718 | E645-T647 PolarHBondContact O-N 3.42Å; T647-D649 PolarHBondContact O-N 3.25Å; T647-D650 PolarHBondContact N-OD2 2.75Å; T647-D650 WeakPolarHBondContact O-CB 3.29Å; T647-D650 PolarHBondContact O-N 3.24Å; T647-D650 PolarHBondContact OG1-OD2 2.71Å; T647-F718 VanDerWaalsContact C-CD1 3.41Å; T647-F718 WeakPolarHBondContact O-CD1 3.26Å; T647-F718 WeakPolarHBondContact O-CE1 3.23Å | ||
| 648 | Q | 73 | Confident | 75.9 | Confident | 11 Ų | 11 | 21.9 Ų | 21.9 | 5% | 0.051 | 12% | 0.118 | C | C | . | . | G | 310 helix | trans | -59.9 | -30.8 | 178.4 | -171.3 | 174 | 11.6 | 0 | 0 | 111.9 | D650 L651 W721 D722 Y725 W726 | Q648-D650 PolarHBondContact O-N 2.99Å; Q648-D650 VanDerWaalsContact O-N 3.15Å; Q648-L651 WeakPolarHBondContact O-CB 3.5Å; Q648-L651 PolarHBondContact O-N 3.19Å; Q648-L651 VanDerWaalsContact O-N 3.11Å; Q648-W721 HydrophobicContact CB-CE3 3.92Å; Q648-W721 HydrophobicContact CB-CZ3 4.06Å; Q648-W721 HydrophobicContact CG-CD2 4.28Å; Q648-W721 HydrophobicContact CG-CE3 3.85Å; Q648-W721 HydrophobicContact CG-CH2 4.04Å; Q648-W721 HydrophobicContact CG-CZ2 4.38Å; Q648-W721 HydrophobicContact CG-CZ3 3.75Å; Q648-D722 PolarHBondContact NE2-O 3.32Å; Q648-D722 PolarHBondContact OE1-O 2.83Å; Q648-Y725 HydrophobicContact CG-CD1 4.13Å; Q648-Y725 HydrophobicContact CG-CG 4.33Å; Q648-Y725 VanDerWaalsContact NE2-CB 3.35Å; Q648-W726 HydrophobicContact CG-CH2 3.99Å; Q648-W726 HydrophobicContact CG-CZ2 4.02Å |
| 649 | D | 69.9 | Low | 77.1 | Confident | 55 Ų | 55 | 20 Ų | 20 | 29% | 0.294 | 11% | 0.109 | S | C | . | . | G | 310 helix | trans | -59 | -21.6 | 173.8 | -65.2 | -6.3 | 0 | 0 | 0 | 113.6 | F184 T647 L651 Y725 | F184-D649 WeakPolarHBondContact CE2-O 3.46Å; T647-D649 PolarHBondContact O-N 3.25Å; D649-L651 VanDerWaalsContact C-N 3.3Å; D649-Y725 WeakPolarHBondContact OD1-CE2 3.27Å; D649-Y725 VanDerWaalsContact OD1-CZ 3.24Å; D649-Y725 PolarHBondContact OD1-OH 2.95Å |
| 650 | D | 75.1 | Confident | 77.9 | Confident | 9 Ų | 9 | 19.9 Ų | 19.9 | 5% | 0.048 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -80.1 | -12.1 | -179.9 | -63 | -51.1 | 0 | 0 | 0 | 112.7 | K111 L627 V642 T647 Q648 A652 M657 | K111-D650 IonicContact NZ-OD2 2.77Å; L627-D650 HydrophobicContact CD2-CB 3.93Å; V642-D650 HydrophobicContact CG1-CB 4Å; T647-D650 PolarHBondContact N-OD2 2.75Å; T647-D650 WeakPolarHBondContact O-CB 3.29Å; T647-D650 PolarHBondContact O-N 3.24Å; T647-D650 PolarHBondContact OG1-OD2 2.71Å; Q648-D650 PolarHBondContact O-N 2.99Å; Q648-D650 VanDerWaalsContact O-N 3.15Å; D650-A652 PolarHBondContact O-N 3.13Å; D650-M657 WeakPolarHBondContact O-CE 3.47Å |
| 651 | L | 82.6 | Confident | 78.3 | Confident | 5 Ų | 5 | 17.1 Ų | 17.1 | 3% | 0.026 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -85.5 | 88.9 | 177.9 | -61.6 | 176.9 | 0 | 0 | 0 | 110.8 | L627 Q648 D649 T653 M657 W668 F714 F718 W721 W726 | L627-L651 HydrophobicContact CD1-CD2 4.29Å; Q648-L651 WeakPolarHBondContact O-CB 3.5Å; Q648-L651 PolarHBondContact O-N 3.19Å; Q648-L651 VanDerWaalsContact O-N 3.11Å; D649-L651 VanDerWaalsContact C-N 3.3Å; L651-T653 PolarHBondContact O-N 3.13Å; L651-M657 HydrophobicContact CD2-CB 4.09Å; L651-M657 HydrophobicContact CD2-CG 3.93Å; L651-W668 HydrophobicContact CB-CD2 4.5Å; L651-W668 HydrophobicContact CB-CE3 4.43Å; L651-W668 HydrophobicContact CB-CH2 3.87Å; L651-W668 HydrophobicContact CB-CZ2 3.93Å; L651-W668 HydrophobicContact CB-CZ3 4.14Å; L651-W668 HydrophobicContact CD1-CD2 4.44Å; L651-W668 HydrophobicContact CD1-CZ2 4.33Å; L651-W668 HydrophobicContact CD2-CD2 4.18Å; L651-W668 HydrophobicContact CD2-CE3 4.32Å; L651-W668 HydrophobicContact CD2-CG 4.4Å; L651-F714 HydrophobicContact CD1-CE1 3.93Å; L651-F714 HydrophobicContact CD1-CZ 4.11Å; L651-F714 HydrophobicContact CD2-CZ 4.22Å; L651-F718 HydrophobicContact CD1-CE1 4.28Å; L651-F718 HydrophobicContact CD1-CZ 4.1Å; L651-F718 HydrophobicContact CD2-CE1 4.39Å; L651-F718 HydrophobicContact CD2-CZ 4.09Å; L651-F718 HydrophobicContact CG-CE1 4.22Å; L651-F718 HydrophobicContact CG-CZ 4.27Å; L651-W721 HydrophobicContact CD1-CH2 3.49Å; L651-W721 VanDerWaalsContact CD1-CH2 3.49Å; L651-W721 HydrophobicContact CD1-CZ3 3.59Å; L651-W726 HydrophobicContact CB-CZ2 4.29Å; L651-W726 HydrophobicContact CD1-CH2 4.27Å |
| 652 | A | 80.4 | Confident | 78.5 | Confident | 3 Ų | 3 | 19 Ų | 19 | 3% | 0.025 | 10% | 0.102 | C | C | . | . | trans | -69 | 122.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | F184 D650 D654 D655 W668 | F184-A652 HydrophobicContact CD2-CB 4.17Å; F184-A652 HydrophobicContact CE2-CB 4.43Å; D650-A652 PolarHBondContact O-N 3.13Å; A652-D654 PolarHBondContact O-N 3.24Å; A652-D654 VanDerWaalsContact O-N 3.12Å; A652-D655 HydrophobicContact CB-CB 4.26Å; A652-D655 PolarHBondContact O-N 2.88Å; A652-D655 VanDerWaalsContact O-N 3.09Å; A652-W668 VanDerWaalsContact O-CZ3 3.29Å; A652-W668 WeakPolarHBondContact O-CZ3 3.39Å | ||
| 653 | T | 83.5 | Confident | 78.4 | Confident | 23 Ų | 23 | 22.8 Ų | 22.8 | 14% | 0.141 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -20.8 | -176.2 | 56.3 | 0 | 0 | 0 | 0 | 113.3 | L651 G670 N671 E672 A673 Q707 | L651-T653 PolarHBondContact O-N 3.13Å; T653-G670 CarbonylContact O-C 3.53Å; T653-G670 WeakPolarHBondContact O-CA 3.43Å; T653-N671 PolarHBondContact O-N 2.98Å; T653-E672 CarbonylContact O-C 3.59Å; T653-E672 VanDerWaalsContact O-CA 3.31Å; T653-E672 WeakPolarHBondContact O-CA 3.41Å; T653-E672 WeakPolarHBondContact O-CB 3.41Å; T653-E672 PolarHBondContact O-N 2.94Å; T653-E672 PolarHBondContact OG1-OE2 3.44Å; T653-A673 PolarHBondContact O-N 2.88Å; T653-Q707 VanDerWaalsContact CG2-NE2 3.31Å |
| 654 | D | 78.5 | Confident | 78.9 | Confident | 27 Ų | 27 | 23.1 Ų | 23.1 | 14% | 0.144 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 16.6 | 179.5 | 71.4 | -34 | 0 | 0 | 0 | 113.7 | R144 K633 A652 E672 | R144-D654 IonicContact CZ-OD2 2.85Å; R144-D654 IonicContact NH2-OD1 3.38Å; R144-D654 PolarHBondContact NH2-OD1 2.78Å; R144-D654 IonicContact NH2-OD2 2.98Å; R144-D654 PolarHBondContact NH2-OD2 3.35Å; K633-D654 IonicContact NZ-OD2 3.64Å; A652-D654 PolarHBondContact O-N 3.24Å; A652-D654 VanDerWaalsContact O-N 3.12Å; D654-E672 HydrophobicContact CB-CB 4.11Å |
| 655 | D | 79.8 | Confident | 80 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -136 | 167.6 | 179.4 | -74.2 | -51.7 | 0 | 0 | 0 | 114.6 | R144 R145 A652 M657 G670 | R144-D655 IonicContact CZ-OD1 3.91Å; R144-D655 IonicContact CZ-OD2 2.66Å; R144-D655 IonicContact NE-OD2 3.66Å; R144-D655 PolarHBondContact NE-OD2 3.47Å; R144-D655 IonicContact NH1-OD1 3.67Å; R144-D655 PolarHBondContact NH1-OD1 3.09Å; R144-D655 IonicContact NH1-OD2 3.58Å; R144-D655 PolarHBondContact NH1-OD2 3.03Å; R144-D655 IonicContact NH2-OD1 3.29Å; R144-D655 PolarHBondContact NH2-OD1 2.65Å; R144-D655 IonicContact NH2-OD2 2.71Å; R144-D655 PolarHBondContact NH2-OD2 3.04Å; R145-D655 IonicContact CZ-OD2 2.87Å; R145-D655 IonicContact NH1-OD2 2.74Å; R145-D655 IonicContact NH2-OD1 2.68Å; R145-D655 IonicContact NH2-OD2 3.2Å; R145-D655 PolarHBondContact NH2-OD2 2.92Å; A652-D655 HydrophobicContact CB-CB 4.26Å; A652-D655 PolarHBondContact O-N 2.88Å; A652-D655 VanDerWaalsContact O-N 3.09Å; D655-M657 HydrophobicContact CB-SD 4.08Å; D655-G670 WeakPolarHBondContact O-CA 3.29Å; D655-G670 PolarHBondContact O-N 3.08Å |
| 656 | V | 86.1 | Confident | 81.1 | Confident | 3 Ų | 3 | 19.8 Ų | 19.8 | 2% | 0.018 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 129.1 | 162 | 178.1 | 0 | 0 | 0 | 0 | 109.2 | C630 V667 W668 I669 A673 E677 A681 | C630-V656 HydrophobicContact CB-CB 4.23Å; C630-V656 HydrophobicContact CB-CG1 4.37Å; C630-V656 WeakPolarHBondContact CB-O 3.12Å; C630-V656 PolarHBondContact N-O 2.87Å; V656-V667 HydrophobicContact CG1-CG1 3.68Å; V656-W668 CarbonylContact C-O 3.47Å; V656-W668 WeakPolarHBondContact CA-O 3.49Å; V656-I669 HydrophobicContact CG2-CG1 4.45Å; V656-A673 HydrophobicContact CG2-CB 4.44Å; V656-E677 HydrophobicContact CG2-CB 4.16Å; V656-A681 HydrophobicContact CG1-CB 3.84Å; V656-A681 HydrophobicContact CG2-CB 4.23Å |
| 657 | M | 88.7 | Confident | 82.1 | Confident | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 142.9 | -179.8 | -50.4 | -63.9 | -68.7 | 0 | 0 | 110.1 | L627 F628 A629 V642 D650 L651 D655 V667 W668 | L627-M657 HydrophobicContact CD1-CB 4.24Å; L627-M657 HydrophobicContact CD1-CE 4.36Å; L627-M657 HydrophobicContact CD2-CE 4.28Å; L627-M657 HydrophobicContact CG-CE 4.21Å; F628-M657 CarbonylContact O-C 3.48Å; F628-M657 VanDerWaalsContact O-CA 3.28Å; F628-M657 WeakPolarHBondContact O-CA 3.41Å; A629-M657 HydrophobicContact CB-CE 4.16Å; A629-M657 HydrophobicContact CB-SD 4.13Å; V642-M657 HydrophobicContact CG2-CE 3.85Å; D650-M657 WeakPolarHBondContact O-CE 3.47Å; L651-M657 HydrophobicContact CD2-CB 4.09Å; L651-M657 HydrophobicContact CD2-CG 3.93Å; D655-M657 HydrophobicContact CB-SD 4.08Å; M657-V667 CarbonylContact O-C 3.54Å; M657-V667 WeakPolarHBondContact O-CA 3.47Å; M657-W668 HydrophobicContact CB-CB 4.29Å; M657-W668 HydrophobicContact CB-CE3 4.15Å; M657-W668 HydrophobicContact CG-CE3 3.67Å; M657-W668 HydrophobicContact CG-CZ3 4.1Å; M657-W668 PolarHBondContact N-O 3.25Å; M657-W668 PolarHBondContact O-N 3.13Å |
| 658 | I | 91.4 | Very high | 83.2 | Confident | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 122.2 | 172.3 | -74.2 | 175.4 | 0 | 0 | 0 | 109.1 | L627 F628 C630 V665 F666 A685 Y688 | L627-I658 CarbonylContact C-O 3.58Å; L627-I658 WeakPolarHBondContact CA-O 3.29Å; F628-I658 HydrophobicContact CB-CB 4.22Å; F628-I658 HydrophobicContact CD2-CG2 4.21Å; F628-I658 PolarHBondContact N-O 2.86Å; F628-I658 PolarHBondContact O-N 3.15Å; C630-I658 WeakPolarHBondContact SG-CD1 3.26Å; C630-I658 WeakPolarHBondContact SG-CG1 3.43Å; I658-V665 HydrophobicContact CG2-CG1 3.53Å; I658-F666 CarbonylContact C-O 3.58Å; I658-F666 VanDerWaalsContact CA-O 3.26Å; I658-F666 WeakPolarHBondContact CA-O 3.42Å; I658-A685 HydrophobicContact CD1-CB 4.28Å; I658-Y688 HydrophobicContact CD1-CG 4.2Å; I658-Y688 HydrophobicContact CG2-CD1 4.23Å; I658-Y688 HydrophobicContact CG2-CE1 4.29Å |
| 659 | L | 87.9 | Confident | 84 | Confident | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 108.5 | 167.6 | 170.3 | 67.9 | 0 | 0 | 0 | 108.8 | P625 R626 L627 M646 T661 F666 F714 W717 F718 | P625-L659 HydrophobicContact CB-CD1 4.15Å; R626-L659 WeakPolarHBondContact O-CA 3.36Å; L627-L659 HydrophobicContact CD1-CB 4.14Å; M646-L659 HydrophobicContact SD-CD1 3.56Å; M646-L659 VanDerWaalsContact SD-CD1 3.56Å; L659-T661 HydrophobicContact CD2-CG2 4.44Å; L659-T661 HydrophobicContact CG-CG2 4.14Å; L659-F666 HydrophobicContact CB-CB 4.09Å; L659-F666 HydrophobicContact CB-CD2 4.46Å; L659-F666 HydrophobicContact CD2-CD2 4.06Å; L659-F666 HydrophobicContact CG-CD2 4.21Å; L659-F666 PolarHBondContact N-O 2.93Å; L659-F666 PolarHBondContact O-N 3.48Å; L659-F714 HydrophobicContact CB-CE2 3.98Å; L659-F714 HydrophobicContact CD2-CD2 3.7Å; L659-F714 HydrophobicContact CD2-CE2 3.71Å; L659-W717 HydrophobicContact CD2-CB 4.2Å; L659-W717 HydrophobicContact CD2-CG 4.21Å; L659-F718 HydrophobicContact CD2-CE2 4.2Å |
| 660 | D | 88.8 | Confident | 84.9 | Confident | 7 Ų | 7 | 14.3 Ų | 14.3 | 4% | 0.037 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 115.1 | 178.5 | -178.1 | 6.1 | 0 | 0 | 0 | 110.1 | P625 R626 F628 W662 V665 Y688 R696 | P625-D660 CarbonylContact C-O 3.35Å; P625-D660 VanDerWaalsContact CA-O 3.24Å; P625-D660 WeakPolarHBondContact CA-O 3.33Å; R626-D660 PolarHBondContact N-O 2.88Å; R626-D660 PolarHBondContact O-N 3.18Å; F628-D660 HydrophobicContact CE2-CB 4.23Å; D660-W662 WeakPolarHBondContact OD1-CA 3.19Å; D660-W662 PolarHBondContact OD1-N 2.64Å; D660-V665 HydrophobicContact CB-CG2 4.49Å; D660-Y688 HydrophobicContact CB-CE1 3.85Å; D660-Y688 WeakPolarHBondContact CB-OH 3.16Å; D660-Y688 VanDerWaalsContact OD2-CE1 3.26Å; D660-Y688 WeakPolarHBondContact OD2-CE1 3.33Å; D660-Y688 PolarHBondContact OD2-OH 2.53Å; D660-R696 IonicContact OD1-CZ 2.77Å; D660-R696 IonicContact OD1-NH1 3.54Å; D660-R696 PolarHBondContact OD1-NH1 2.68Å; D660-R696 IonicContact OD1-NH2 3.54Å; D660-R696 PolarHBondContact OD1-NH2 3.2Å; D660-R696 IonicContact OD2-CZ 3.49Å; D660-R696 IonicContact OD2-NH1 3.09Å; D660-R696 PolarHBondContact OD2-NH1 2.79Å; D660-R696 IonicContact OD2-NH2 2.85Å |
| 661 | T | 81.4 | Confident | 85.4 | Confident | 18 Ų | 18 | 17.1 Ų | 17.1 | 11% | 0.11 | 8% | 0.084 | C | C | . | . | trans | -104.6 | 18.6 | 178.6 | 67.4 | 0 | 0 | 0 | 0 | 112.5 | P625 L659 E663 Q664 F666 W717 | P625-T661 HydrophobicContact CB-CG2 4.31Å; L659-T661 HydrophobicContact CD2-CG2 4.44Å; L659-T661 HydrophobicContact CG-CG2 4.14Å; T661-E663 PolarHBondContact O-N 2.91Å; T661-Q664 PolarHBondContact N-O 3.2Å; T661-Q664 WeakPolarHBondContact OG1-CG 3.4Å; T661-Q664 PolarHBondContact OG1-O 3.16Å; T661-Q664 VanDerWaalsContact OG1-O 3.13Å; T661-F666 HydrophobicContact CG2-CD2 4.01Å; T661-F666 HydrophobicContact CG2-CE2 3.82Å; T661-W717 HydrophobicContact CG2-CZ2 4.3Å | ||
| 662 | W | 81.9 | Confident | 85.3 | Confident | 80 Ų | 80 | 21.7 Ų | 21.7 | 30% | 0.303 | 11% | 0.105 | S | C | . | . | S | Bend | trans | 68.7 | -50 | -172.3 | -167.4 | -102.1 | 0 | 0 | 0 | 115.1 | H623 D660 A694 R696 | H623-W662 HydrophobicContact CB-CB 3.62Å; H623-W662 HydrophobicContact CB-CD2 3.69Å; H623-W662 HydrophobicContact CB-CE3 3.94Å; H623-W662 HydrophobicContact CB-CG 3.55Å; H623-W662 AromaticContact CD2-CD1 3.68Å; H623-W662 AromaticContact CD2-CD2 3.78Å; H623-W662 AromaticContact CD2-CE2 3.55Å; H623-W662 AromaticContact CD2-CG 3.86Å; H623-W662 AromaticContact CD2-NE1 3.46Å; H623-W662 PolarHBondContact CD2-NE1 3.4Å; H623-W662 AromaticContact CE1-CE2 3.62Å; H623-W662 AromaticContact CE1-CH2 3.58Å; H623-W662 AromaticContact CE1-CZ2 3.38Å; H623-W662 WeakPolarHBondContact CE1-CZ2 3.43Å; H623-W662 AromaticContact CG-CD1 3.95Å; H623-W662 AromaticContact CG-CD2 3.4Å; H623-W662 VanDerWaalsContact CG-CD2 3.4Å; H623-W662 AromaticContact CG-CE2 3.62Å; H623-W662 AromaticContact CG-CE3 3.76Å; H623-W662 AromaticContact CG-CG 3.65Å; H623-W662 AromaticContact CG-NE1 3.92Å; H623-W662 AromaticContact ND1-CD2 3.61Å; H623-W662 AromaticContact ND1-CE2 3.66Å; H623-W662 AromaticContact ND1-CE3 3.58Å; H623-W662 AromaticContact ND1-CH2 3.68Å; H623-W662 AromaticContact ND1-CZ2 3.72Å; H623-W662 AromaticContact ND1-CZ3 3.6Å; H623-W662 AromaticContact NE2-CE2 3.55Å; H623-W662 AromaticContact NE2-CZ2 3.63Å; H623-W662 AromaticContact NE2-NE1 3.68Å; D660-W662 WeakPolarHBondContact OD1-CA 3.19Å; D660-W662 PolarHBondContact OD1-N 2.64Å; W662-A694 HydrophobicContact CH2-CB 3.83Å; W662-A694 HydrophobicContact CZ3-CB 4.09Å; W662-R696 VanDerWaalsContact CA-NH2 3.28Å; W662-R696 PolarHBondContact O-NH2 3.49Å |
| 663 | E | 74.8 | Confident | 85.4 | Confident | 92 Ų | 92 | 21.7 Ų | 21.7 | 43% | 0.43 | 11% | 0.105 | S | C | . | . | S | Bend | trans | -74.3 | -30.7 | 179.8 | -62.2 | -158.7 | 151.5 | 0 | 0 | 112.8 | K619 T661 P701 | K619-E663 WeakPolarHBondContact CD-OE1 3.32Å; K619-E663 IonicContact NZ-OE1 3.59Å; K619-E663 PolarHBondContact NZ-OE1 3.39Å; T661-E663 PolarHBondContact O-N 2.91Å; E663-P701 WeakPolarHBondContact O-CD 3.41Å |
| 664 | Q | 81.9 | Confident | 85.1 | Confident | 20 Ų | 20 | 24.9 Ų | 24.9 | 9% | 0.093 | 12% | 0.119 | C | C | . | . | trans | -151.7 | 160.2 | 177.3 | 60.2 | -167.2 | -3.8 | 0 | 0 | 110.1 | T661 F666 P701 V703 | T661-Q664 PolarHBondContact N-O 3.2Å; T661-Q664 WeakPolarHBondContact OG1-CG 3.4Å; T661-Q664 PolarHBondContact OG1-O 3.16Å; T661-Q664 VanDerWaalsContact OG1-O 3.13Å; Q664-F666 HydrophobicContact CG-CD2 4.47Å; Q664-F666 HydrophobicContact CG-CE2 3.97Å; Q664-F666 HydrophobicContact CG-CZ 4.22Å; Q664-P701 WeakPolarHBondContact CA-O 3.42Å; Q664-P701 HydrophobicContact CB-CB 4.16Å; Q664-V703 HydrophobicContact CB-CG2 4.44Å; Q664-V703 HydrophobicContact CG-CG2 4.48Å | ||
| 665 | V | 89.7 | Confident | 85.1 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 113.9 | 177.3 | 179.9 | 0 | 0 | 0 | 0 | 108.3 | I658 D660 A685 Y688 I689 T700 P701 I702 V703 | I658-V665 HydrophobicContact CG2-CG1 3.53Å; D660-V665 HydrophobicContact CB-CG2 4.49Å; V665-A685 HydrophobicContact CG1-CB 4.3Å; V665-Y688 HydrophobicContact CG1-CD1 4.24Å; V665-Y688 HydrophobicContact CG2-CD1 4.41Å; V665-Y688 HydrophobicContact CG2-CE1 4.3Å; V665-I689 HydrophobicContact CB-CD1 4.41Å; V665-I689 HydrophobicContact CG2-CD1 3.92Å; V665-I689 HydrophobicContact CG2-CG1 3.84Å; V665-T700 HydrophobicContact CG2-CG2 4.3Å; V665-P701 PolarHBondContact N-O 3.14Å; V665-I702 CarbonylContact O-C 3.59Å; V665-I702 VanDerWaalsContact O-CA 3.29Å; V665-I702 WeakPolarHBondContact O-CA 3.35Å; V665-V703 PolarHBondContact O-N 2.88Å |
| 666 | F | 87.8 | Confident | 84.9 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 139.6 | 172.7 | -64.8 | -83.1 | 0 | 0 | 0 | 110.3 | I658 L659 T661 Q664 V703 I705 T713 F714 | I658-F666 CarbonylContact C-O 3.58Å; I658-F666 VanDerWaalsContact CA-O 3.26Å; I658-F666 WeakPolarHBondContact CA-O 3.42Å; L659-F666 HydrophobicContact CB-CB 4.09Å; L659-F666 HydrophobicContact CB-CD2 4.46Å; L659-F666 HydrophobicContact CD2-CD2 4.06Å; L659-F666 HydrophobicContact CG-CD2 4.21Å; L659-F666 PolarHBondContact N-O 2.93Å; L659-F666 PolarHBondContact O-N 3.48Å; T661-F666 HydrophobicContact CG2-CD2 4.01Å; T661-F666 HydrophobicContact CG2-CE2 3.82Å; Q664-F666 HydrophobicContact CG-CD2 4.47Å; Q664-F666 HydrophobicContact CG-CE2 3.97Å; Q664-F666 HydrophobicContact CG-CZ 4.22Å; F666-V703 CarbonylContact C-O 3.56Å; F666-V703 VanDerWaalsContact CA-O 3.31Å; F666-V703 WeakPolarHBondContact CA-O 3.23Å; F666-V703 HydrophobicContact CD1-CB 3.45Å; F666-V703 VanDerWaalsContact CD1-CB 3.45Å; F666-V703 HydrophobicContact CD1-CG1 3.52Å; F666-V703 HydrophobicContact CD1-CG2 4.02Å; F666-V703 HydrophobicContact CE1-CB 3.86Å; F666-V703 HydrophobicContact CE1-CG1 3.69Å; F666-V703 HydrophobicContact CE1-CG2 4.01Å; F666-V703 HydrophobicContact CG-CB 4.28Å; F666-I705 HydrophobicContact CB-CD1 4.18Å; F666-I705 HydrophobicContact CD1-CD1 3.3Å; F666-I705 HydrophobicContact CD1-CG1 4.28Å; F666-I705 HydrophobicContact CE1-CD1 3.94Å; F666-I705 HydrophobicContact CG-CD1 4.09Å; F666-T713 WeakPolarHBondContact CZ-O 3.42Å; F666-F714 HydrophobicContact CB-CD2 3.85Å; F666-F714 HydrophobicContact CB-CE2 4.09Å; F666-F714 HydrophobicContact CD1-CB 4.42Å; F666-F714 HydrophobicContact CD1-CD2 4.06Å; F666-F714 HydrophobicContact CD2-CD2 4.26Å; F666-F714 HydrophobicContact CE1-CB 4.24Å; F666-F714 AromaticContact CG-CD2 3.82Å; F666-F714 HydrophobicContact CG-CD2 3.82Å |
| 667 | V | 92.9 | Very high | 84.4 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 98.9 | 175.9 | -174.6 | 0 | 0 | 0 | 0 | 107 | V656 M657 I669 A681 A685 I702 V703 I705 | V656-V667 HydrophobicContact CG1-CG1 3.68Å; M657-V667 CarbonylContact O-C 3.54Å; M657-V667 WeakPolarHBondContact O-CA 3.47Å; V667-I669 HydrophobicContact CG1-CG1 4.47Å; V667-A681 HydrophobicContact CG1-CB 3.73Å; V667-A685 HydrophobicContact CG2-CB 3.4Å; V667-A685 VanDerWaalsContact CG2-CB 3.4Å; V667-I702 HydrophobicContact CG2-CG2 3.57Å; V667-V703 PolarHBondContact N-O 2.83Å; V667-I705 PolarHBondContact O-N 2.96Å |
| 668 | W | 91.9 | Very high | 84.1 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 128.3 | 179 | -179.4 | 97.7 | 0 | 0 | 0 | 109.4 | L651 A652 V656 M657 G670 I705 Q707 E710 F714 W726 | L651-W668 HydrophobicContact CB-CD2 4.5Å; L651-W668 HydrophobicContact CB-CE3 4.43Å; L651-W668 HydrophobicContact CB-CH2 3.87Å; L651-W668 HydrophobicContact CB-CZ2 3.93Å; L651-W668 HydrophobicContact CB-CZ3 4.14Å; L651-W668 HydrophobicContact CD1-CD2 4.44Å; L651-W668 HydrophobicContact CD1-CZ2 4.33Å; L651-W668 HydrophobicContact CD2-CD2 4.18Å; L651-W668 HydrophobicContact CD2-CE3 4.32Å; L651-W668 HydrophobicContact CD2-CG 4.4Å; A652-W668 VanDerWaalsContact O-CZ3 3.29Å; A652-W668 WeakPolarHBondContact O-CZ3 3.39Å; V656-W668 CarbonylContact C-O 3.47Å; V656-W668 WeakPolarHBondContact CA-O 3.49Å; M657-W668 HydrophobicContact CB-CB 4.29Å; M657-W668 HydrophobicContact CB-CE3 4.15Å; M657-W668 HydrophobicContact CG-CE3 3.67Å; M657-W668 HydrophobicContact CG-CZ3 4.1Å; M657-W668 PolarHBondContact N-O 3.25Å; M657-W668 PolarHBondContact O-N 3.13Å; W668-G670 VanDerWaalsContact CZ3-CA 3.44Å; W668-I705 CarbonylContact C-O 3.53Å; W668-I705 WeakPolarHBondContact CA-O 3.34Å; W668-Q707 HydrophobicContact CH2-CB 4.05Å; W668-Q707 HydrophobicContact CH2-CG 4.2Å; W668-Q707 HydrophobicContact CZ2-CB 3.49Å; W668-Q707 VanDerWaalsContact CZ2-CB 3.49Å; W668-Q707 HydrophobicContact CZ2-CG 3.65Å; W668-E710 PolarHBondContact NE1-OE1 2.92Å; W668-F714 HydrophobicContact CB-CE2 4.17Å; W668-F714 HydrophobicContact CB-CZ 3.95Å; W668-F714 AromaticContact CD1-CE1 3.85Å; W668-F714 AromaticContact CD1-CZ 3.74Å; W668-F714 HydrophobicContact CG-CZ 4.01Å; W668-W726 AromaticContact CZ2-CH2 3.98Å; W668-W726 HydrophobicContact CZ2-CH2 3.98Å; W668-W726 AromaticContact CZ2-CZ2 3.91Å; W668-W726 HydrophobicContact CZ2-CZ2 3.91Å |
| 669 | I | 89.4 | Confident | 83.5 | Confident | 10 Ų | 10 | 42.5 Ų | 42.5 | 5% | 0.051 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 114 | -174.8 | -60.3 | 178.7 | 0 | 0 | 0 | 109.1 | V656 V667 K678 A681 K704 I705 Q707 | V656-I669 HydrophobicContact CG2-CG1 4.45Å; V667-I669 HydrophobicContact CG1-CG1 4.47Å; I669-K678 HydrophobicContact CG2-CB 4.26Å; I669-K678 HydrophobicContact CG2-CD 4.14Å; I669-K678 HydrophobicContact CG2-CG 3.62Å; I669-A681 HydrophobicContact CD1-CB 4.02Å; I669-A681 HydrophobicContact CG1-CB 4.3Å; I669-K704 HydrophobicContact CD1-CD 4.13Å; I669-K704 HydrophobicContact CD1-CG 3.87Å; I669-I705 PolarHBondContact N-O 2.78Å; I669-Q707 PolarHBondContact O-N 3.38Å |
| 670 | G | 87.6 | Confident | 83.1 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -67.5 | 145 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T653 D655 W668 E672 A673 K678 | T653-G670 CarbonylContact O-C 3.53Å; T653-G670 WeakPolarHBondContact O-CA 3.43Å; D655-G670 WeakPolarHBondContact O-CA 3.29Å; D655-G670 PolarHBondContact O-N 3.08Å; W668-G670 VanDerWaalsContact CZ3-CA 3.44Å; G670-E672 VanDerWaalsContact C-N 3.25Å; G670-E672 PolarHBondContact O-N 3.09Å; G670-A673 WeakPolarHBondContact O-CB 3.32Å; G670-A673 PolarHBondContact O-N 3.49Å; G670-K678 WeakPolarHBondContact O-CE 3.35Å | ||
| 671 | N | 85.6 | Confident | 82.7 | Confident | 69 Ų | 69 | 46.3 Ų | 46.3 | 37% | 0.369 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -31.2 | -177.6 | -75.4 | -17.6 | 0 | 0 | 0 | 112.6 | T653 K678 | T653-N671 PolarHBondContact O-N 2.98Å; N671-K678 PolarHBondContact O-NZ 3.24Å |
| 672 | E | 81.3 | Confident | 82.8 | Confident | 100 Ų | 100 | 47.7 Ų | 47.7 | 47% | 0.467 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 2.7 | -178.7 | -57.2 | 175.7 | 176.4 | 0 | 0 | 112.9 | R183 T653 D654 G670 | R183-E672 IonicContact CZ-OE1 3.38Å; R183-E672 IonicContact CZ-OE2 3.21Å; R183-E672 IonicContact NH1-OE1 3.82Å; R183-E672 PolarHBondContact NH1-OE1 3.01Å; R183-E672 IonicContact NH1-OE2 2.84Å; R183-E672 PolarHBondContact NH1-OE2 3.23Å; T653-E672 CarbonylContact O-C 3.59Å; T653-E672 VanDerWaalsContact O-CA 3.31Å; T653-E672 WeakPolarHBondContact O-CA 3.41Å; T653-E672 WeakPolarHBondContact O-CB 3.41Å; T653-E672 PolarHBondContact O-N 2.94Å; T653-E672 PolarHBondContact OG1-OE2 3.44Å; D654-E672 HydrophobicContact CB-CB 4.11Å; G670-E672 VanDerWaalsContact C-N 3.25Å; G670-E672 PolarHBondContact O-N 3.09Å |
| 673 | A | 81.6 | Confident | 82.8 | Confident | 4 Ų | 4 | 47 Ų | 47 | 3% | 0.033 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -61.8 | 153.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | T653 V656 G670 K678 | T653-A673 PolarHBondContact O-N 2.88Å; V656-A673 HydrophobicContact CG2-CB 4.44Å; G670-A673 WeakPolarHBondContact O-CB 3.32Å; G670-A673 PolarHBondContact O-N 3.49Å; A673-K678 HydrophobicContact CB-CG 4.06Å; A673-K678 WeakPolarHBondContact O-CE 3.42Å; A673-K678 PolarHBondContact O-NZ 2.87Å |
| 674 | Q | 78.2 | Confident | 83 | Confident | 89 Ų | 89 | 43 Ų | 43 | 42% | 0.416 | 22% | 0.224 | S | C | . | . | trans | -65.5 | 143.4 | 178.7 | -64.3 | -175.7 | -7 | 0 | 0 | 110.9 | E676 E677 K678 | Q674-E676 PolarHBondContact O-N 3.49Å; Q674-E677 HydrophobicContact CB-CB 4.34Å; Q674-E677 HydrophobicContact CB-CG 4.16Å; Q674-E677 WeakPolarHBondContact O-CA 3.33Å; Q674-E677 WeakPolarHBondContact O-CB 3.38Å; Q674-E677 PolarHBondContact O-N 2.77Å; Q674-K678 WeakPolarHBondContact O-CG 3.35Å; Q674-K678 PolarHBondContact O-N 3.41Å | ||
| 675 | E | 79 | Confident | 83.2 | Confident | 112 Ų | 112 | 42.1 Ų | 42.1 | 52% | 0.523 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.8 | -34 | -176.7 | -69.1 | -57.7 | 129.2 | 0 | 0 | 112.1 | K678 T679 | E675-K678 PolarHBondContact O-N 3.12Å; E675-K678 WeakPolarHBondContact OE1-CD 3.31Å; E675-K678 IonicContact OE1-NZ 3.98Å; E675-K678 PolarHBondContact OE1-NZ 3.03Å; E675-T679 WeakPolarHBondContact O-CB 3.25Å; E675-T679 PolarHBondContact O-N 3.22Å; E675-T679 PolarHBondContact O-OG1 2.83Å |
| 676 | E | 75.4 | Confident | 83 | Confident | 125 Ų | 125 | 44.1 Ų | 44.1 | 58% | 0.584 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -61.8 | -45.6 | 172 | -63.8 | 78.3 | -170.2 | 0 | 0 | 111.2 | Q674 T679 E680 | Q674-E676 PolarHBondContact O-N 3.49Å; E676-T679 PolarHBondContact O-N 2.79Å; E676-E680 WeakPolarHBondContact O-CG 3.43Å; E676-E680 PolarHBondContact O-N 3.04Å |
| 677 | E | 75.6 | Confident | 82.7 | Confident | 10 Ų | 10 | 50.9 Ų | 50.9 | 5% | 0.047 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 178.3 | -68.4 | -178.8 | 144.2 | 0 | 0 | 111.6 | S631 N632 V656 Q674 T679 E680 A681 | S631-E677 WeakPolarHBondContact CA-OE1 3.32Å; S631-E677 PolarHBondContact OG-OE1 3.19Å; N632-E677 HydrophobicContact CB-CG 4.33Å; N632-E677 PolarHBondContact N-OE1 3Å; V656-E677 HydrophobicContact CG2-CB 4.16Å; Q674-E677 HydrophobicContact CB-CB 4.34Å; Q674-E677 HydrophobicContact CB-CG 4.16Å; Q674-E677 WeakPolarHBondContact O-CA 3.33Å; Q674-E677 WeakPolarHBondContact O-CB 3.38Å; Q674-E677 PolarHBondContact O-N 2.77Å; E677-T679 VanDerWaalsContact C-N 3.3Å; E677-T679 PolarHBondContact O-N 3.35Å; E677-E680 PolarHBondContact O-N 3.2Å; E677-A681 WeakPolarHBondContact O-CB 3.45Å; E677-A681 PolarHBondContact O-N 3Å |
| 678 | K | 81.7 | Confident | 82.2 | Confident | 44 Ų | 44 | 51.4 Ų | 51.4 | 19% | 0.191 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.7 | -39.4 | 174.3 | -64.8 | -177.6 | -178.9 | 158.9 | 0 | 112 | I669 G670 N671 A673 Q674 E675 A681 | I669-K678 HydrophobicContact CG2-CB 4.26Å; I669-K678 HydrophobicContact CG2-CD 4.14Å; I669-K678 HydrophobicContact CG2-CG 3.62Å; G670-K678 WeakPolarHBondContact O-CE 3.35Å; N671-K678 PolarHBondContact O-NZ 3.24Å; A673-K678 HydrophobicContact CB-CG 4.06Å; A673-K678 WeakPolarHBondContact O-CE 3.42Å; A673-K678 PolarHBondContact O-NZ 2.87Å; Q674-K678 WeakPolarHBondContact O-CG 3.35Å; Q674-K678 PolarHBondContact O-N 3.41Å; E675-K678 PolarHBondContact O-N 3.12Å; E675-K678 WeakPolarHBondContact OE1-CD 3.31Å; E675-K678 IonicContact OE1-NZ 3.98Å; E675-K678 PolarHBondContact OE1-NZ 3.03Å; K678-A681 WeakPolarHBondContact O-CB 3.44Å |
| 679 | T | 78.9 | Confident | 81.9 | Confident | 112 Ų | 112 | 51.5 Ų | 51.5 | 69% | 0.687 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -73.2 | -39.7 | -178.8 | -55.7 | 0 | 0 | 0 | 0 | 111.6 | E675 E676 E677 | E675-T679 WeakPolarHBondContact O-CB 3.25Å; E675-T679 PolarHBondContact O-N 3.22Å; E675-T679 PolarHBondContact O-OG1 2.83Å; E676-T679 PolarHBondContact O-N 2.79Å; E677-T679 VanDerWaalsContact C-N 3.3Å; E677-T679 PolarHBondContact O-N 3.35Å |
| 680 | E | 78.9 | Confident | 81.5 | Confident | 86 Ų | 86 | 55.7 Ų | 55.7 | 40% | 0.402 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -84.3 | -6.1 | -179.8 | -67.3 | -170.7 | 158.2 | 0 | 0 | 114.2 | N632 E676 E677 M682 A683 S684 | N632-E680 PolarHBondContact ND2-OE2 3.27Å; E676-E680 WeakPolarHBondContact O-CG 3.43Å; E676-E680 PolarHBondContact O-N 3.04Å; E677-E680 PolarHBondContact O-N 3.2Å; E680-M682 VanDerWaalsContact C-N 3.29Å; E680-M682 PolarHBondContact O-N 2.7Å; E680-A683 PolarHBondContact O-N 3.5Å; E680-A683 VanDerWaalsContact O-N 3.14Å; E680-S684 VanDerWaalsContact O-CB 3.27Å; E680-S684 WeakPolarHBondContact O-CB 3.34Å; E680-S684 PolarHBondContact O-N 2.62Å; E680-S684 PolarHBondContact O-OG 2.95Å |
| 681 | A | 81.3 | Confident | 80.8 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.008 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -52.7 | -40.7 | -174 | 0 | 0 | 0 | 0 | 0 | 114.1 | V656 V667 I669 E677 K678 S684 A685 | V656-A681 HydrophobicContact CG1-CB 3.84Å; V656-A681 HydrophobicContact CG2-CB 4.23Å; V667-A681 HydrophobicContact CG1-CB 3.73Å; I669-A681 HydrophobicContact CD1-CB 4.02Å; I669-A681 HydrophobicContact CG1-CB 4.3Å; E677-A681 WeakPolarHBondContact O-CB 3.45Å; E677-A681 PolarHBondContact O-N 3Å; K678-A681 WeakPolarHBondContact O-CB 3.44Å; A681-S684 WeakPolarHBondContact O-CB 3.33Å; A681-A685 PolarHBondContact O-N 3.18Å |
| 682 | M | 83.1 | Confident | 80.5 | Confident | 48 Ų | 48 | 53.8 Ų | 53.8 | 24% | 0.236 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -73 | -43.1 | 179.3 | -69.7 | -61.7 | -70.7 | 0 | 0 | 112.6 | R483 E680 S684 A685 V686 I702 K704 | R483-M682 HydrophobicContact CB-CE 4.05Å; E680-M682 VanDerWaalsContact C-N 3.29Å; E680-M682 PolarHBondContact O-N 2.7Å; M682-S684 PolarHBondContact O-N 2.92Å; M682-A685 PolarHBondContact O-N 3.23Å; M682-V686 PolarHBondContact O-N 3.24Å; M682-V686 VanDerWaalsContact O-N 3.16Å; M682-I702 HydrophobicContact CE-CB 3.96Å; M682-I702 HydrophobicContact CE-CG2 3.61Å; M682-I702 HydrophobicContact SD-CG2 3.8Å; M682-K704 HydrophobicContact CG-CD 4.34Å; M682-K704 HydrophobicContact SD-CB 3.8Å; M682-K704 HydrophobicContact SD-CD 4.27Å; M682-K704 HydrophobicContact SD-CG 4.33Å |
| 683 | A | 82.4 | Confident | 80 | Confident | 66 Ų | 66 | 49.9 Ų | 49.9 | 55% | 0.545 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.2 | -36 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | E680 V686 R687 | E680-A683 PolarHBondContact O-N 3.5Å; E680-A683 VanDerWaalsContact O-N 3.14Å; A683-V686 PolarHBondContact O-N 3.14Å; A683-R687 PolarHBondContact O-N 2.86Å |
| 684 | S | 79.8 | Confident | 79.6 | Confident | 8 Ų | 8 | 50.6 Ų | 50.6 | 6% | 0.056 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.3 | -44.9 | 174.1 | -68.1 | 0 | 0 | 0 | 0 | 112.7 | F637 E680 A681 M682 R687 Y688 | F637-S684 WeakPolarHBondContact CE2-OG 3.37Å; F637-S684 VanDerWaalsContact CZ-OG 3.26Å; F637-S684 WeakPolarHBondContact CZ-OG 3.14Å; E680-S684 VanDerWaalsContact O-CB 3.27Å; E680-S684 WeakPolarHBondContact O-CB 3.34Å; E680-S684 PolarHBondContact O-N 2.62Å; E680-S684 PolarHBondContact O-OG 2.95Å; A681-S684 WeakPolarHBondContact O-CB 3.33Å; M682-S684 PolarHBondContact O-N 2.92Å; S684-R687 PolarHBondContact O-N 2.81Å; S684-Y688 WeakPolarHBondContact O-CB 3.42Å; S684-Y688 PolarHBondContact O-N 2.87Å |
| 685 | A | 85.6 | Confident | 79.3 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.7 | -35.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | I658 V665 V667 A681 M682 Y688 I689 I702 | I658-A685 HydrophobicContact CD1-CB 4.28Å; V665-A685 HydrophobicContact CG1-CB 4.3Å; V667-A685 HydrophobicContact CG2-CB 3.4Å; V667-A685 VanDerWaalsContact CG2-CB 3.4Å; A681-A685 PolarHBondContact O-N 3.18Å; M682-A685 PolarHBondContact O-N 3.23Å; A685-Y688 WeakPolarHBondContact O-CB 3.48Å; A685-Y688 PolarHBondContact O-N 3.17Å; A685-I689 WeakPolarHBondContact O-CG1 3.48Å; A685-I689 PolarHBondContact O-N 2.97Å; A685-I689 VanDerWaalsContact O-N 3.1Å; A685-I702 HydrophobicContact CB-CD1 3.98Å; A685-I702 HydrophobicContact CB-CG1 4.43Å; A685-I702 HydrophobicContact CB-CG2 3.79Å |
| 686 | V | 85.4 | Confident | 79.4 | Confident | 43 Ų | 43 | 47.3 Ų | 47.3 | 26% | 0.261 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.6 | -48.6 | 171.1 | 174.9 | 0 | 0 | 0 | 0 | 110.2 | M682 A683 Y688 I689 E690 I702 | M682-V686 PolarHBondContact O-N 3.24Å; M682-V686 VanDerWaalsContact O-N 3.16Å; A683-V686 PolarHBondContact O-N 3.14Å; V686-Y688 VanDerWaalsContact C-N 3.3Å; V686-Y688 PolarHBondContact O-N 3.19Å; V686-I689 PolarHBondContact O-N 3.2Å; V686-E690 HydrophobicContact CG1-CG 4.34Å; V686-E690 WeakPolarHBondContact O-CG 3.17Å; V686-E690 PolarHBondContact O-N 3.14Å; V686-I702 HydrophobicContact CB-CD1 4.44Å; V686-I702 HydrophobicContact CG2-CD1 3.5Å; V686-I702 VanDerWaalsContact CG2-CD1 3.5Å |
| 687 | R | 80.8 | Confident | 79.4 | Confident | 141 Ų | 141 | 43.6 Ų | 43.6 | 53% | 0.532 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.5 | -38.4 | 178.1 | -168.8 | 176.7 | -128.2 | 166.7 | 1.5 | 112.1 | A683 S684 E690 T691 | A683-R687 PolarHBondContact O-N 2.86Å; S684-R687 PolarHBondContact O-N 2.81Å; R687-E690 PolarHBondContact O-N 2.93Å; R687-T691 HydrophobicContact CG-CG2 4.25Å; R687-T691 WeakPolarHBondContact O-CB 3.43Å; R687-T691 VanDerWaalsContact O-CG2 3.29Å; R687-T691 WeakPolarHBondContact O-CG2 3.3Å; R687-T691 PolarHBondContact O-N 2.6Å; R687-T691 PolarHBondContact O-OG1 3.45Å |
| 688 | Y | 83.8 | Confident | 79.7 | Confident | 12 Ų | 12 | 45.9 Ų | 45.9 | 5% | 0.047 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -55.7 | -53 | 172.4 | 169.9 | -99.9 | 0 | 0 | 0 | 111.3 | F628 I639 I658 D660 V665 S684 A685 V686 E690 T691 D692 | F628-Y688 HydrophobicContact CD1-CE2 4.43Å; F628-Y688 HydrophobicContact CD2-CE2 4.04Å; F628-Y688 HydrophobicContact CE1-CE2 4.23Å; F628-Y688 AromaticContact CE2-CE2 3.81Å; F628-Y688 HydrophobicContact CE2-CE2 3.81Å; F628-Y688 AromaticContact CE2-CZ 3.68Å; F628-Y688 WeakPolarHBondContact CE2-OH 3.49Å; F628-Y688 HydrophobicContact CG-CE2 4.34Å; F628-Y688 AromaticContact CZ-CE2 3.9Å; F628-Y688 HydrophobicContact CZ-CE2 3.9Å; F628-Y688 WeakPolarHBondContact CZ-OH 3.47Å; I639-Y688 HydrophobicContact CD1-CD2 3.64Å; I639-Y688 HydrophobicContact CD1-CG 4.12Å; I639-Y688 HydrophobicContact CG2-CD2 4.2Å; I658-Y688 HydrophobicContact CD1-CG 4.2Å; I658-Y688 HydrophobicContact CG2-CD1 4.23Å; I658-Y688 HydrophobicContact CG2-CE1 4.29Å; D660-Y688 HydrophobicContact CB-CE1 3.85Å; D660-Y688 WeakPolarHBondContact CB-OH 3.16Å; D660-Y688 VanDerWaalsContact OD2-CE1 3.26Å; D660-Y688 WeakPolarHBondContact OD2-CE1 3.33Å; D660-Y688 PolarHBondContact OD2-OH 2.53Å; V665-Y688 HydrophobicContact CG1-CD1 4.24Å; V665-Y688 HydrophobicContact CG2-CD1 4.41Å; V665-Y688 HydrophobicContact CG2-CE1 4.3Å; S684-Y688 WeakPolarHBondContact O-CB 3.42Å; S684-Y688 PolarHBondContact O-N 2.87Å; A685-Y688 WeakPolarHBondContact O-CB 3.48Å; A685-Y688 PolarHBondContact O-N 3.17Å; V686-Y688 VanDerWaalsContact C-N 3.3Å; V686-Y688 PolarHBondContact O-N 3.19Å; Y688-E690 VanDerWaalsContact C-N 3.35Å; Y688-E690 PolarHBondContact O-N 2.77Å; Y688-T691 PolarHBondContact O-N 2.98Å; Y688-T691 PolarHBondContact O-OG1 2.99Å; Y688-D692 PolarHBondContact O-N 3.15Å |
| 689 | I | 84.8 | Confident | 79.6 | Confident | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.3 | -45.7 | 178.8 | -65.7 | 160.8 | 0 | 0 | 0 | 110.7 | V665 A685 V686 T691 D692 R696 T700 I702 | V665-I689 HydrophobicContact CB-CD1 4.41Å; V665-I689 HydrophobicContact CG2-CD1 3.92Å; V665-I689 HydrophobicContact CG2-CG1 3.84Å; A685-I689 WeakPolarHBondContact O-CG1 3.48Å; A685-I689 PolarHBondContact O-N 2.97Å; A685-I689 VanDerWaalsContact O-N 3.1Å; V686-I689 PolarHBondContact O-N 3.2Å; I689-T691 VanDerWaalsContact C-N 3.29Å; I689-T691 PolarHBondContact O-N 3.14Å; I689-D692 WeakPolarHBondContact O-CB 3.44Å; I689-D692 PolarHBondContact O-N 3.35Å; I689-R696 HydrophobicContact CG2-CB 3.79Å; I689-T700 HydrophobicContact CD1-CG2 4.47Å; I689-I702 HydrophobicContact CD1-CD1 3.97Å; I689-I702 HydrophobicContact CD1-CG1 3.88Å |
| 690 | E | 81.1 | Confident | 79.8 | Confident | 98 Ų | 98 | 44.3 Ų | 44.3 | 46% | 0.458 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.3 | -36.3 | -179.3 | -73.1 | 179 | 173 | 0 | 0 | 112.2 | K245 V686 R687 Y688 | K245-E690 WeakPolarHBondContact CE-O 3.17Å; K245-E690 PolarHBondContact NZ-O 3.46Å; V686-E690 HydrophobicContact CG1-CG 4.34Å; V686-E690 WeakPolarHBondContact O-CG 3.17Å; V686-E690 PolarHBondContact O-N 3.14Å; R687-E690 PolarHBondContact O-N 2.93Å; Y688-E690 VanDerWaalsContact C-N 3.35Å; Y688-E690 PolarHBondContact O-N 2.77Å |
| 691 | T | 73.6 | Confident | 80.1 | Confident | 17 Ų | 17 | 40.5 Ų | 40.5 | 10% | 0.104 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -85.8 | -4.1 | -179 | 58.1 | 0 | 0 | 0 | 0 | 115 | R687 Y688 I689 | R687-T691 HydrophobicContact CG-CG2 4.25Å; R687-T691 WeakPolarHBondContact O-CB 3.43Å; R687-T691 VanDerWaalsContact O-CG2 3.29Å; R687-T691 WeakPolarHBondContact O-CG2 3.3Å; R687-T691 PolarHBondContact O-N 2.6Å; R687-T691 PolarHBondContact O-OG1 3.45Å; Y688-T691 PolarHBondContact O-N 2.98Å; Y688-T691 PolarHBondContact O-OG1 2.99Å; I689-T691 VanDerWaalsContact C-N 3.29Å; I689-T691 PolarHBondContact O-N 3.14Å |
| 692 | D | 79.4 | Confident | 80.5 | Confident | 11 Ų | 11 | 40.5 Ų | 40.5 | 6% | 0.059 | 22% | 0.215 | C | C | . | . | trans | -63.7 | 125.9 | 177.5 | -170.8 | -42.7 | 0 | 0 | 0 | 110.9 | Y688 I689 A694 N695 R696 | Y688-D692 PolarHBondContact O-N 3.15Å; I689-D692 WeakPolarHBondContact O-CB 3.44Å; I689-D692 PolarHBondContact O-N 3.35Å; D692-A694 PolarHBondContact O-N 3.09Å; D692-A694 VanDerWaalsContact O-N 3.11Å; D692-A694 WeakPolarHBondContact OD1-CB 3.41Å; D692-A694 PolarHBondContact OD1-N 2.89Å; D692-N695 PolarHBondContact O-N 3.22Å; D692-R696 HydrophobicContact CB-CB 4.29Å; D692-R696 HydrophobicContact CB-CG 3.54Å; D692-R696 WeakPolarHBondContact OD2-CG 3.32Å; D692-R696 IonicContact OD2-CZ 3.64Å; D692-R696 IonicContact OD2-NH1 3.03Å; D692-R696 PolarHBondContact OD2-NH1 3.07Å | ||
| 693 | P | 69.6 | Low | 80.6 | Confident | 18 Ų | 18 | 38.4 Ų | 38.4 | 12% | 0.117 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -17.9 | -179.4 | 25.7 | -35.4 | 0 | 0 | 0 | 114 | N268 Q340 F341 N695 | N268-P693 PolarHBondContact ND2-O 3.3Å; Q340-P693 HydrophobicContact CG-CG 4.4Å; F341-P693 HydrophobicContact CD1-CB 3.98Å; F341-P693 HydrophobicContact CE1-CB 3.44Å; F341-P693 VanDerWaalsContact CE1-CB 3.44Å; F341-P693 HydrophobicContact CE1-CG 4.24Å; F341-P693 HydrophobicContact CZ-CB 3.98Å; F341-P693 HydrophobicContact CZ-CG 4.3Å; P693-N695 PolarHBondContact O-N 2.71Å |
| 694 | A | 74.3 | Confident | 81 | Confident | 19 Ų | 19 | 37.1 Ų | 37.1 | 16% | 0.157 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -3.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q340 W662 D692 R696 | Q340-A694 HydrophobicContact CB-CB 3.94Å; Q340-A694 VanDerWaalsContact O-CA 3.31Å; Q340-A694 WeakPolarHBondContact O-CA 3.29Å; W662-A694 HydrophobicContact CH2-CB 3.83Å; W662-A694 HydrophobicContact CZ3-CB 4.09Å; D692-A694 PolarHBondContact O-N 3.09Å; D692-A694 VanDerWaalsContact O-N 3.11Å; D692-A694 WeakPolarHBondContact OD1-CB 3.41Å; D692-A694 PolarHBondContact OD1-N 2.89Å; A694-R696 HydrophobicContact CB-CG 4.31Å |
| 695 | N | 71 | Confident | 81.4 | Confident | 114 Ų | 114 | 36.8 Ų | 36.8 | 61% | 0.61 | 18% | 0.184 | S | C | * | . | trans | 52.8 | 55.5 | -174 | -164.9 | 30.2 | 0 | 0 | 0 | 110.8 | D692 P693 | D692-N695 PolarHBondContact O-N 3.22Å; P693-N695 PolarHBondContact O-N 2.71Å | ||
| 696 | R | 80.1 | Confident | 81.3 | Confident | 19 Ų | 19 | 38.8 Ų | 38.8 | 7% | 0.072 | 19% | 0.193 | C | C | . | . | trans | -58.1 | 152.6 | -177.2 | -65.1 | -75.1 | -71.4 | -75.7 | -0.5 | 110.8 | D660 W662 I689 D692 A694 A698 | D660-R696 IonicContact OD1-CZ 2.77Å; D660-R696 IonicContact OD1-NH1 3.54Å; D660-R696 PolarHBondContact OD1-NH1 2.68Å; D660-R696 IonicContact OD1-NH2 3.54Å; D660-R696 PolarHBondContact OD1-NH2 3.2Å; D660-R696 IonicContact OD2-CZ 3.49Å; D660-R696 IonicContact OD2-NH1 3.09Å; D660-R696 PolarHBondContact OD2-NH1 2.79Å; D660-R696 IonicContact OD2-NH2 2.85Å; W662-R696 VanDerWaalsContact CA-NH2 3.28Å; W662-R696 PolarHBondContact O-NH2 3.49Å; I689-R696 HydrophobicContact CG2-CB 3.79Å; D692-R696 HydrophobicContact CB-CB 4.29Å; D692-R696 HydrophobicContact CB-CG 3.54Å; D692-R696 WeakPolarHBondContact OD2-CG 3.32Å; D692-R696 IonicContact OD2-CZ 3.64Å; D692-R696 IonicContact OD2-NH1 3.03Å; D692-R696 PolarHBondContact OD2-NH1 3.07Å; A694-R696 HydrophobicContact CB-CG 4.31Å; R696-A698 PolarHBondContact O-N 3.14Å | ||
| 697 | D | 76.7 | Confident | 81.4 | Confident | 47 Ų | 47 | 37.3 Ų | 37.3 | 25% | 0.251 | 18% | 0.183 | S | C | . | . | trans | -66.5 | 118.2 | 174.1 | -163.3 | -41 | 0 | 0 | 0 | 109.2 | K488 R699 T700 | K488-D697 WeakPolarHBondContact CE-OD2 3.3Å; K488-D697 IonicContact NZ-OD2 3.38Å; K488-D697 PolarHBondContact NZ-OD2 2.99Å; D697-R699 PolarHBondContact O-N 3.18Å; D697-R699 VanDerWaalsContact OD1-CB 3.27Å; D697-R699 WeakPolarHBondContact OD1-CB 3.44Å; D697-R699 WeakPolarHBondContact OD1-CG 3.35Å; D697-R699 IonicContact OD1-CZ 3.54Å; D697-R699 PolarHBondContact OD1-N 3.3Å; D697-R699 VanDerWaalsContact OD1-N 3.07Å; D697-R699 IonicContact OD1-NE 2.66Å; D697-R699 PolarHBondContact OD1-NE 2.96Å; D697-R699 IonicContact OD1-NH2 3.05Å; D697-R699 IonicContact OD2-CZ 3.38Å; D697-R699 IonicContact OD2-NE 3.89Å; D697-R699 PolarHBondContact OD2-NE 3.42Å; D697-R699 IonicContact OD2-NH2 2.57Å; D697-R699 PolarHBondContact OD2-NH2 2.84Å; D697-T700 WeakPolarHBondContact O-CB 3.38Å; D697-T700 PolarHBondContact O-N 2.89Å; D697-T700 PolarHBondContact O-OG1 2.69Å | ||
| 698 | A | 81.3 | Confident | 81.3 | Confident | 57 Ų | 57 | 32.1 Ų | 32.1 | 47% | 0.471 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -14.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R696 T700 | R696-A698 PolarHBondContact O-N 3.14Å; A698-T700 VanDerWaalsContact C-N 3.32Å |
| 699 | R | 80.4 | Confident | 81 | Confident | 117 Ų | 117 | 33.3 Ų | 33.3 | 44% | 0.442 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 1.4 | 176.1 | -58.7 | 172.3 | -68.3 | -175.2 | -1.1 | 113.5 | V485 K488 D697 | V485-R699 HydrophobicContact CB-CB 3.96Å; V485-R699 HydrophobicContact CB-CG 4.27Å; V485-R699 HydrophobicContact CG1-CB 4.05Å; V485-R699 HydrophobicContact CG1-CG 3.79Å; K488-R699 HydrophobicContact CB-CB 4.28Å; K488-R699 WeakPolarHBondContact CB-O 3.25Å; K488-R699 HydrophobicContact CG-CB 3.58Å; K488-R699 WeakPolarHBondContact CG-O 3.47Å; D697-R699 PolarHBondContact O-N 3.18Å; D697-R699 VanDerWaalsContact OD1-CB 3.27Å; D697-R699 WeakPolarHBondContact OD1-CB 3.44Å; D697-R699 WeakPolarHBondContact OD1-CG 3.35Å; D697-R699 IonicContact OD1-CZ 3.54Å; D697-R699 PolarHBondContact OD1-N 3.3Å; D697-R699 VanDerWaalsContact OD1-N 3.07Å; D697-R699 IonicContact OD1-NE 2.66Å; D697-R699 PolarHBondContact OD1-NE 2.96Å; D697-R699 IonicContact OD1-NH2 3.05Å; D697-R699 IonicContact OD2-CZ 3.38Å; D697-R699 IonicContact OD2-NE 3.89Å; D697-R699 PolarHBondContact OD2-NE 3.42Å; D697-R699 IonicContact OD2-NH2 2.57Å; D697-R699 PolarHBondContact OD2-NH2 2.84Å |
| 700 | T | 83.6 | Confident | 80.8 | Confident | 7 Ų | 7 | 33.5 Ų | 33.5 | 4% | 0.043 | 18% | 0.18 | C | C | . | . | trans | -53.4 | 129.4 | 179 | -60.4 | 0 | 0 | 0 | 0 | 110 | V665 I689 D697 A698 | V665-T700 HydrophobicContact CG2-CG2 4.3Å; I689-T700 HydrophobicContact CD1-CG2 4.47Å; D697-T700 WeakPolarHBondContact O-CB 3.38Å; D697-T700 PolarHBondContact O-N 2.89Å; D697-T700 PolarHBondContact O-OG1 2.69Å; A698-T700 VanDerWaalsContact C-N 3.32Å | ||
| 701 | P | 83.6 | Confident | 80.4 | Confident | 5 Ų | 5 | 28.9 Ų | 28.9 | 3% | 0.032 | 16% | 0.159 | C | C | . | . | trans | -60 | 143.2 | -177.7 | -26.2 | 36.9 | 0 | 0 | 0 | 112.7 | R483 K488 E663 Q664 V665 | R483-P701 WeakPolarHBondContact O-CA 3.44Å; K488-P701 HydrophobicContact CB-CG 4.34Å; K488-P701 WeakPolarHBondContact O-CG 3.27Å; E663-P701 WeakPolarHBondContact O-CD 3.41Å; Q664-P701 WeakPolarHBondContact CA-O 3.42Å; Q664-P701 HydrophobicContact CB-CB 4.16Å; V665-P701 PolarHBondContact N-O 3.14Å | ||
| 702 | I | 89.6 | Confident | 80.1 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 124.2 | 177.1 | -56.5 | 173.3 | 0 | 0 | 0 | 108.4 | R483 V665 V667 M682 A685 V686 I689 | R483-I702 PolarHBondContact N-O 2.88Å; R483-I702 PolarHBondContact O-N 3.09Å; V665-I702 CarbonylContact O-C 3.59Å; V665-I702 VanDerWaalsContact O-CA 3.29Å; V665-I702 WeakPolarHBondContact O-CA 3.35Å; V667-I702 HydrophobicContact CG2-CG2 3.57Å; M682-I702 HydrophobicContact CE-CB 3.96Å; M682-I702 HydrophobicContact CE-CG2 3.61Å; M682-I702 HydrophobicContact SD-CG2 3.8Å; A685-I702 HydrophobicContact CB-CD1 3.98Å; A685-I702 HydrophobicContact CB-CG1 4.43Å; A685-I702 HydrophobicContact CB-CG2 3.79Å; V686-I702 HydrophobicContact CB-CD1 4.44Å; V686-I702 HydrophobicContact CG2-CD1 3.5Å; V686-I702 VanDerWaalsContact CG2-CD1 3.5Å; I689-I702 HydrophobicContact CD1-CD1 3.97Å; I689-I702 HydrophobicContact CD1-CG1 3.88Å |
| 703 | V | 87 | Confident | 79.9 | Confident | 4 Ų | 4 | 28.6 Ų | 28.6 | 2% | 0.024 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 112.7 | -176.9 | -177.7 | 0 | 0 | 0 | 0 | 109.1 | T480 Q481 V482 Q664 V665 F666 V667 I705 | T480-V703 HydrophobicContact CG2-CG1 3.56Å; Q481-V703 CarbonylContact O-C 3.59Å; Q481-V703 WeakPolarHBondContact O-CA 3.24Å; V482-V703 HydrophobicContact CG1-CG2 4.04Å; V482-V703 HydrophobicContact CG2-CG1 4.08Å; V482-V703 HydrophobicContact CG2-CG2 4.24Å; Q664-V703 HydrophobicContact CB-CG2 4.44Å; Q664-V703 HydrophobicContact CG-CG2 4.48Å; V665-V703 PolarHBondContact O-N 2.88Å; F666-V703 CarbonylContact C-O 3.56Å; F666-V703 VanDerWaalsContact CA-O 3.31Å; F666-V703 WeakPolarHBondContact CA-O 3.23Å; F666-V703 HydrophobicContact CD1-CB 3.45Å; F666-V703 VanDerWaalsContact CD1-CB 3.45Å; F666-V703 HydrophobicContact CD1-CG1 3.52Å; F666-V703 HydrophobicContact CD1-CG2 4.02Å; F666-V703 HydrophobicContact CE1-CB 3.86Å; F666-V703 HydrophobicContact CE1-CG1 3.69Å; F666-V703 HydrophobicContact CE1-CG2 4.01Å; F666-V703 HydrophobicContact CG-CB 4.28Å; V667-V703 PolarHBondContact N-O 2.83Å; V703-I705 HydrophobicContact CG1-CD1 4.3Å; V703-I705 HydrophobicContact CG1-CG1 4.07Å |
| 704 | K | 89.3 | Confident | 80.2 | Confident | 40 Ų | 40 | 27.8 Ų | 27.8 | 17% | 0.174 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 126.7 | 177.3 | -178.1 | -177.9 | 177.7 | -175 | 0 | 110.2 | Q481 I669 M682 | Q481-K704 HydrophobicContact CB-CB 4.23Å; Q481-K704 PolarHBondContact N-O 2.79Å; Q481-K704 PolarHBondContact O-N 3.28Å; I669-K704 HydrophobicContact CD1-CD 4.13Å; I669-K704 HydrophobicContact CD1-CG 3.87Å; M682-K704 HydrophobicContact CG-CD 4.34Å; M682-K704 HydrophobicContact SD-CB 3.8Å; M682-K704 HydrophobicContact SD-CD 4.27Å; M682-K704 HydrophobicContact SD-CG 4.33Å |
| 705 | I | 87.6 | Confident | 80.1 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 142.6 | -177.3 | -60.7 | 170.6 | 0 | 0 | 0 | 109.1 | T480 F666 V667 W668 I669 V703 E710 P711 F714 | T480-I705 HydrophobicContact CG2-CG1 4.42Å; F666-I705 HydrophobicContact CB-CD1 4.18Å; F666-I705 HydrophobicContact CD1-CD1 3.3Å; F666-I705 HydrophobicContact CD1-CG1 4.28Å; F666-I705 HydrophobicContact CE1-CD1 3.94Å; F666-I705 HydrophobicContact CG-CD1 4.09Å; V667-I705 PolarHBondContact O-N 2.96Å; W668-I705 CarbonylContact C-O 3.53Å; W668-I705 WeakPolarHBondContact CA-O 3.34Å; I669-I705 PolarHBondContact N-O 2.78Å; V703-I705 HydrophobicContact CG1-CD1 4.3Å; V703-I705 HydrophobicContact CG1-CG1 4.07Å; I705-E710 HydrophobicContact CG2-CB 4.17Å; I705-E710 HydrophobicContact CG2-CG 3.82Å; I705-P711 HydrophobicContact CD1-CG 3.95Å; I705-P711 HydrophobicContact CG1-CG 4.32Å; I705-F714 HydrophobicContact CD1-CB 3.61Å; I705-F714 HydrophobicContact CD1-CD1 4.46Å; I705-F714 HydrophobicContact CD1-CD2 3.46Å; I705-F714 VanDerWaalsContact CD1-CD2 3.46Å; I705-F714 HydrophobicContact CD1-CE2 4.21Å; I705-F714 HydrophobicContact CD1-CG 3.6Å |
| 706 | K | 85.4 | Confident | 79.5 | Confident | 41 Ų | 41 | 22.5 Ų | 22.5 | 18% | 0.178 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 146.1 | 173.8 | -68.5 | 170.2 | 177.9 | 164.1 | 0 | 110.1 | D463 G468 G708 F709 | D463-K706 IonicContact OD1-NZ 3.72Å; D463-K706 IonicContact OD2-NZ 3.52Å; D463-K706 PolarHBondContact OD2-NZ 2.94Å; G468-K706 PolarHBondContact O-NZ 2.87Å; K706-G708 PolarHBondContact O-N 3.44Å; K706-F709 HydrophobicContact CB-CD2 4.33Å; K706-F709 CarbonylContact O-C 3.55Å; K706-F709 PolarHBondContact O-N 3.27Å |
| 707 | Q | 86.7 | Confident | 78.7 | Confident | 12 Ų | 12 | 22.5 Ų | 22.5 | 6% | 0.056 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | 130.8 | 175.8 | 174.7 | 179.9 | -13.7 | 0 | 0 | 111.8 | T653 W668 I669 F709 E710 W726 | T653-Q707 VanDerWaalsContact CG2-NE2 3.31Å; W668-Q707 HydrophobicContact CH2-CB 4.05Å; W668-Q707 HydrophobicContact CH2-CG 4.2Å; W668-Q707 HydrophobicContact CZ2-CB 3.49Å; W668-Q707 VanDerWaalsContact CZ2-CB 3.49Å; W668-Q707 HydrophobicContact CZ2-CG 3.65Å; I669-Q707 PolarHBondContact O-N 3.38Å; Q707-F709 VanDerWaalsContact C-N 3.25Å; Q707-F709 WeakPolarHBondContact O-CD2 3.46Å; Q707-F709 PolarHBondContact O-N 3.26Å; Q707-E710 WeakPolarHBondContact CA-OE1 3.33Å; Q707-W726 HydrophobicContact CG-CD2 4.15Å; Q707-W726 HydrophobicContact CG-CE3 4.14Å; Q707-W726 HydrophobicContact CG-CH2 4.47Å; Q707-W726 HydrophobicContact CG-CZ2 4.49Å; Q707-W726 HydrophobicContact CG-CZ3 4.3Å |
| 708 | G | 78.4 | Confident | 78.1 | Confident | 33 Ų | 33 | 20.6 Ų | 20.6 | 34% | 0.34 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | -4.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | K706 E710 | K706-G708 PolarHBondContact O-N 3.44Å; G708-E710 VanDerWaalsContact C-OE2 3.25Å; G708-E710 VanDerWaalsContact CA-OE2 3.28Å; G708-E710 WeakPolarHBondContact CA-OE2 2.89Å; G708-E710 VanDerWaalsContact N-CD 3.33Å; G708-E710 PolarHBondContact N-OE1 3.26Å; G708-E710 PolarHBondContact N-OE2 2.85Å |
| 709 | F | 77.3 | Confident | 76.8 | Confident | 36 Ų | 36 | 24.9 Ų | 24.9 | 16% | 0.158 | 13% | 0.13 | C | C | . | . | trans | -125.5 | 36.8 | -178.9 | -61.4 | -76.9 | 0 | 0 | 0 | 110.9 | Q472 I478 K706 Q707 | Q472-F709 HydrophobicContact CG-CE2 4.49Å; I478-F709 HydrophobicContact CB-CB 4.43Å; I478-F709 HydrophobicContact CB-CD1 4.29Å; I478-F709 HydrophobicContact CG1-CB 4.4Å; I478-F709 HydrophobicContact CG1-CD1 3.91Å; I478-F709 HydrophobicContact CG2-CB 3.94Å; I478-F709 WeakPolarHBondContact CG2-O 3.5Å; K706-F709 HydrophobicContact CB-CD2 4.33Å; K706-F709 CarbonylContact O-C 3.55Å; K706-F709 PolarHBondContact O-N 3.27Å; Q707-F709 VanDerWaalsContact C-N 3.25Å; Q707-F709 WeakPolarHBondContact O-CD2 3.46Å; Q707-F709 PolarHBondContact O-N 3.26Å | ||
| 710 | E | 81.9 | Confident | 75.5 | Confident | 7 Ų | 7 | 22.8 Ų | 22.8 | 3% | 0.033 | 15% | 0.145 | C | C | . | . | trans | -76.2 | 129.3 | -178.9 | -58.3 | 81.5 | -179.4 | 0 | 0 | 111.9 | W668 I705 Q707 G708 F714 T715 W721 W726 | W668-E710 PolarHBondContact NE1-OE1 2.92Å; I705-E710 HydrophobicContact CG2-CB 4.17Å; I705-E710 HydrophobicContact CG2-CG 3.82Å; Q707-E710 WeakPolarHBondContact CA-OE1 3.33Å; G708-E710 VanDerWaalsContact C-OE2 3.25Å; G708-E710 VanDerWaalsContact CA-OE2 3.28Å; G708-E710 WeakPolarHBondContact CA-OE2 2.89Å; G708-E710 VanDerWaalsContact N-CD 3.33Å; G708-E710 PolarHBondContact N-OE1 3.26Å; G708-E710 PolarHBondContact N-OE2 2.85Å; E710-F714 HydrophobicContact CB-CD1 3.8Å; E710-F714 HydrophobicContact CB-CE1 4.4Å; E710-F714 HydrophobicContact CG-CD1 3.79Å; E710-F714 HydrophobicContact CG-CE1 3.89Å; E710-T715 HydrophobicContact CB-CG2 3.43Å; E710-T715 VanDerWaalsContact CB-CG2 3.43Å; E710-T715 HydrophobicContact CG-CG2 4.45Å; E710-W721 HydrophobicContact CB-CH2 4.46Å; E710-W721 HydrophobicContact CB-CZ2 4.08Å; E710-W721 HydrophobicContact CG-CH2 3.84Å; E710-W721 HydrophobicContact CG-CZ2 3.72Å; E710-W726 WeakPolarHBondContact OE1-CH2 3.4Å; E710-W726 WeakPolarHBondContact OE1-CZ3 3.31Å | ||
| 711 | P | 71.1 | Confident | 74.5 | Confident | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | trans | -73.3 | 159.1 | 176 | 31.4 | -35.7 | 0 | 0 | 0 | 111.5 | V389 T480 I705 T713 F714 T715 | V389-P711 HydrophobicContact CG1-CB 4.11Å; T480-P711 HydrophobicContact CG2-CG 4.34Å; I705-P711 HydrophobicContact CD1-CG 3.95Å; I705-P711 HydrophobicContact CG1-CG 4.32Å; P711-T713 PolarHBondContact O-N 3.42Å; P711-T713 VanDerWaalsContact O-N 3.13Å; P711-F714 HydrophobicContact CG-CB 4.06Å; P711-F714 WeakPolarHBondContact O-CB 3.32Å; P711-F714 PolarHBondContact O-N 2.85Å; P711-T715 PolarHBondContact O-N 2.82Å | ||
| 712 | P | 68.3 | Low | 73.6 | Confident | 11 Ų | 11 | 27.1 Ų | 27.1 | 7% | 0.071 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -55.9 | -31.8 | 177 | -24 | 31.9 | 0 | 0 | 0 | 114 | A383 Y429 H431 F714 T715 G716 | A383-P712 HydrophobicContact CB-CB 3.69Å; Y429-P712 HydrophobicContact CE2-CG 4.43Å; H431-P712 HydrophobicContact CB-CG 3.57Å; H431-P712 VanDerWaalsContact CD2-CG 3.46Å; H431-P712 WeakPolarHBondContact CD2-CG 3.42Å; P712-F714 PolarHBondContact O-N 2.86Å; P712-T715 WeakPolarHBondContact CA-OG1 3.38Å; P712-G716 PolarHBondContact O-N 2.95Å |
| 713 | T | 74.4 | Confident | 72.5 | Confident | 11 Ų | 11 | 30.6 Ų | 30.6 | 7% | 0.067 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.6 | -17 | 176.4 | 48.4 | 0 | 0 | 0 | 0 | 113.9 | A383 V389 F666 P711 W717 | A383-T713 HydrophobicContact CB-CG2 4.43Å; A383-T713 WeakPolarHBondContact O-CG2 3.36Å; V389-T713 HydrophobicContact CB-CG2 4.34Å; V389-T713 HydrophobicContact CG1-CG2 3.44Å; V389-T713 VanDerWaalsContact CG1-CG2 3.44Å; F666-T713 WeakPolarHBondContact CZ-O 3.42Å; P711-T713 PolarHBondContact O-N 3.42Å; P711-T713 VanDerWaalsContact O-N 3.13Å; T713-W717 PolarHBondContact O-NE1 3.13Å |
| 714 | F | 76.8 | Confident | 71.6 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -99.7 | -52.8 | 173.1 | 178.6 | -89.8 | 0 | 0 | 0 | 111 | L651 L659 F666 W668 I705 E710 P711 P712 G716 W717 F718 W721 | L651-F714 HydrophobicContact CD1-CE1 3.93Å; L651-F714 HydrophobicContact CD1-CZ 4.11Å; L651-F714 HydrophobicContact CD2-CZ 4.22Å; L659-F714 HydrophobicContact CB-CE2 3.98Å; L659-F714 HydrophobicContact CD2-CD2 3.7Å; L659-F714 HydrophobicContact CD2-CE2 3.71Å; F666-F714 HydrophobicContact CB-CD2 3.85Å; F666-F714 HydrophobicContact CB-CE2 4.09Å; F666-F714 HydrophobicContact CD1-CB 4.42Å; F666-F714 HydrophobicContact CD1-CD2 4.06Å; F666-F714 HydrophobicContact CD2-CD2 4.26Å; F666-F714 HydrophobicContact CE1-CB 4.24Å; F666-F714 AromaticContact CG-CD2 3.82Å; F666-F714 HydrophobicContact CG-CD2 3.82Å; W668-F714 HydrophobicContact CB-CE2 4.17Å; W668-F714 HydrophobicContact CB-CZ 3.95Å; W668-F714 AromaticContact CD1-CE1 3.85Å; W668-F714 AromaticContact CD1-CZ 3.74Å; W668-F714 HydrophobicContact CG-CZ 4.01Å; I705-F714 HydrophobicContact CD1-CB 3.61Å; I705-F714 HydrophobicContact CD1-CD1 4.46Å; I705-F714 HydrophobicContact CD1-CD2 3.46Å; I705-F714 VanDerWaalsContact CD1-CD2 3.46Å; I705-F714 HydrophobicContact CD1-CE2 4.21Å; I705-F714 HydrophobicContact CD1-CG 3.6Å; E710-F714 HydrophobicContact CB-CD1 3.8Å; E710-F714 HydrophobicContact CB-CE1 4.4Å; E710-F714 HydrophobicContact CG-CD1 3.79Å; E710-F714 HydrophobicContact CG-CE1 3.89Å; P711-F714 HydrophobicContact CG-CB 4.06Å; P711-F714 WeakPolarHBondContact O-CB 3.32Å; P711-F714 PolarHBondContact O-N 2.85Å; P712-F714 PolarHBondContact O-N 2.86Å; F714-G716 PolarHBondContact O-N 2.87Å; F714-W717 PolarHBondContact O-N 3.3Å; F714-W717 VanDerWaalsContact O-N 3.12Å; F714-F718 HydrophobicContact CD1-CD2 4.37Å; F714-F718 AromaticContact CD1-CE2 3.88Å; F714-F718 HydrophobicContact CD1-CE2 3.88Å; F714-F718 HydrophobicContact CE1-CD2 4.15Å; F714-F718 AromaticContact CE1-CE2 3.38Å; F714-F718 HydrophobicContact CE1-CE2 3.38Å; F714-F718 AromaticContact CE1-CZ 3.98Å; F714-F718 HydrophobicContact CE1-CZ 3.98Å; F714-F718 HydrophobicContact CE2-CE2 4.12Å; F714-F718 HydrophobicContact CG-CE2 4.45Å; F714-F718 AromaticContact CZ-CE2 3.53Å; F714-F718 HydrophobicContact CZ-CE2 3.53Å; F714-F718 AromaticContact CZ-CZ 3.79Å; F714-F718 HydrophobicContact CZ-CZ 3.79Å; F714-F718 WeakPolarHBondContact O-CD2 3.26Å; F714-W721 HydrophobicContact CD1-CH2 4.38Å; F714-W721 AromaticContact CE1-CH2 3.92Å; F714-W721 HydrophobicContact CE1-CH2 3.92Å; F714-W721 HydrophobicContact CE1-CZ3 4.12Å |
| 715 | T | 72.8 | Confident | 70.6 | Confident | 4 Ų | 4 | 34.3 Ų | 34.3 | 3% | 0.025 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.9 | -30.1 | -173.9 | 60.2 | 0 | 0 | 0 | 0 | 112.8 | E710 P711 P712 W717 F718 W721 | E710-T715 HydrophobicContact CB-CG2 3.43Å; E710-T715 VanDerWaalsContact CB-CG2 3.43Å; E710-T715 HydrophobicContact CG-CG2 4.45Å; P711-T715 PolarHBondContact O-N 2.82Å; P712-T715 WeakPolarHBondContact CA-OG1 3.38Å; T715-W717 PolarHBondContact O-N 3.36Å; T715-W717 VanDerWaalsContact O-N 3.13Å; T715-F718 PolarHBondContact O-N 3.08Å; T715-W721 HydrophobicContact CG2-CD2 3.8Å; T715-W721 VanDerWaalsContact CG2-CE2 3.48Å; T715-W721 HydrophobicContact CG2-CE3 4.4Å; T715-W721 HydrophobicContact CG2-CG 4.14Å; T715-W721 HydrophobicContact CG2-CH2 4.35Å; T715-W721 HydrophobicContact CG2-CZ2 3.81Å |
| 716 | G | 57.4 | Low | 70.2 | Confident | 19 Ų | 19 | 36.8 Ų | 36.8 | 20% | 0.196 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -11.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | S380 P712 F714 F718 | S380-G716 WeakPolarHBondContact O-CA 3.39Å; P712-G716 PolarHBondContact O-N 2.95Å; F714-G716 PolarHBondContact O-N 2.87Å; G716-F718 VanDerWaalsContact C-N 3.33Å |
| 717 | W | 64.1 | Low | 69.8 | Low | 19 Ų | 19 | 40.1 Ų | 40.1 | 7% | 0.072 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -14.6 | 171.5 | -69.6 | 113.6 | 0 | 0 | 0 | 113.7 | A384 Q385 M620 P625 M646 L659 T661 T713 F714 T715 | A384-W717 HydrophobicContact CB-CD2 4.09Å; A384-W717 HydrophobicContact CB-CG 4.06Å; A384-W717 HydrophobicContact CB-CZ2 4.49Å; A384-W717 VanDerWaalsContact O-CZ2 3.25Å; A384-W717 WeakPolarHBondContact O-CZ2 3.3Å; Q385-W717 HydrophobicContact CG-CH2 4.08Å; Q385-W717 HydrophobicContact CG-CZ3 4.26Å; M620-W717 HydrophobicContact CG-CH2 4.37Å; M620-W717 HydrophobicContact CG-CZ3 4.44Å; M620-W717 HydrophobicContact SD-CH2 4.03Å; M620-W717 HydrophobicContact SD-CZ3 3.83Å; P625-W717 HydrophobicContact CB-CD2 4.48Å; P625-W717 HydrophobicContact CB-CE3 4.38Å; P625-W717 HydrophobicContact CG-CD2 3.97Å; P625-W717 HydrophobicContact CG-CE3 3.56Å; P625-W717 HydrophobicContact CG-CH2 3.66Å; P625-W717 HydrophobicContact CG-CZ2 4.07Å; P625-W717 HydrophobicContact CG-CZ3 3.4Å; P625-W717 VanDerWaalsContact CG-CZ3 3.4Å; M646-W717 HydrophobicContact CE-CB 4.39Å; L659-W717 HydrophobicContact CD2-CB 4.2Å; L659-W717 HydrophobicContact CD2-CG 4.21Å; T661-W717 HydrophobicContact CG2-CZ2 4.3Å; T713-W717 PolarHBondContact O-NE1 3.13Å; F714-W717 PolarHBondContact O-N 3.3Å; F714-W717 VanDerWaalsContact O-N 3.12Å; T715-W717 PolarHBondContact O-N 3.36Å; T715-W717 VanDerWaalsContact O-N 3.13Å |
| 718 | F | 63.3 | Low | 69.1 | Low | 6 Ų | 6 | 42.1 Ų | 42.1 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -106.6 | 113.3 | -179.1 | -62.3 | -93.8 | 0 | 0 | 0 | 109.2 | L627 M646 T647 L651 L659 F714 T715 G716 G720 W721 | L627-F718 HydrophobicContact CD2-CE1 4.38Å; M646-F718 HydrophobicContact CB-CD1 3.98Å; M646-F718 HydrophobicContact CB-CE1 3.93Å; T647-F718 VanDerWaalsContact C-CD1 3.41Å; T647-F718 WeakPolarHBondContact O-CD1 3.26Å; T647-F718 WeakPolarHBondContact O-CE1 3.23Å; L651-F718 HydrophobicContact CD1-CE1 4.28Å; L651-F718 HydrophobicContact CD1-CZ 4.1Å; L651-F718 HydrophobicContact CD2-CE1 4.39Å; L651-F718 HydrophobicContact CD2-CZ 4.09Å; L651-F718 HydrophobicContact CG-CE1 4.22Å; L651-F718 HydrophobicContact CG-CZ 4.27Å; L659-F718 HydrophobicContact CD2-CE2 4.2Å; F714-F718 HydrophobicContact CD1-CD2 4.37Å; F714-F718 AromaticContact CD1-CE2 3.88Å; F714-F718 HydrophobicContact CD1-CE2 3.88Å; F714-F718 HydrophobicContact CE1-CD2 4.15Å; F714-F718 AromaticContact CE1-CE2 3.38Å; F714-F718 HydrophobicContact CE1-CE2 3.38Å; F714-F718 AromaticContact CE1-CZ 3.98Å; F714-F718 HydrophobicContact CE1-CZ 3.98Å; F714-F718 HydrophobicContact CE2-CE2 4.12Å; F714-F718 HydrophobicContact CG-CE2 4.45Å; F714-F718 AromaticContact CZ-CE2 3.53Å; F714-F718 HydrophobicContact CZ-CE2 3.53Å; F714-F718 AromaticContact CZ-CZ 3.79Å; F714-F718 HydrophobicContact CZ-CZ 3.79Å; F714-F718 WeakPolarHBondContact O-CD2 3.26Å; T715-F718 PolarHBondContact O-N 3.08Å; G716-F718 VanDerWaalsContact C-N 3.33Å; F718-G720 PolarHBondContact O-N 3.28Å; F718-W721 HydrophobicContact CB-CE3 3.58Å; F718-W721 HydrophobicContact CB-CZ3 4.14Å; F718-W721 HydrophobicContact CD1-CE3 4.48Å; F718-W721 HydrophobicContact CD1-CZ3 4.25Å; F718-W721 AromaticContact CD2-CE3 3.94Å; F718-W721 HydrophobicContact CD2-CE3 3.94Å; F718-W721 AromaticContact CD2-CZ3 3.72Å; F718-W721 HydrophobicContact CD2-CZ3 3.72Å; F718-W721 HydrophobicContact CE2-CZ3 4.16Å; F718-W721 AromaticContact CG-CE3 3.76Å; F718-W721 HydrophobicContact CG-CE3 3.76Å; F718-W721 AromaticContact CG-CZ3 3.78Å; F718-W721 HydrophobicContact CG-CZ3 3.78Å |
| 719 | L | 54.7 | Low | 68.9 | Low | 148 Ų | 148 | 42.3 Ų | 42.3 | 78% | 0.775 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | 128.3 | 179.5 | -168 | 70.8 | 0 | 0 | 0 | 109.9 | ||
| 720 | G | 52 | Low | 68.5 | Low | 73 Ų | 73 | 41.5 Ų | 41.5 | 75% | 0.753 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77 | 29.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | F718 D722 | F718-G720 PolarHBondContact O-N 3.28Å; G720-D722 PolarHBondContact O-N 3.15Å |
| 721 | W | 62.6 | Low | 67.9 | Low | 36 Ų | 36 | 42.4 Ų | 42.4 | 14% | 0.136 | 25% | 0.245 | C | C | . | . | trans | -52.6 | 125.9 | 175.3 | -171.3 | -85.8 | 0 | 0 | 0 | 112.5 | Q648 L651 E710 F714 T715 F718 H723 W726 | Q648-W721 HydrophobicContact CB-CE3 3.92Å; Q648-W721 HydrophobicContact CB-CZ3 4.06Å; Q648-W721 HydrophobicContact CG-CD2 4.28Å; Q648-W721 HydrophobicContact CG-CE3 3.85Å; Q648-W721 HydrophobicContact CG-CH2 4.04Å; Q648-W721 HydrophobicContact CG-CZ2 4.38Å; Q648-W721 HydrophobicContact CG-CZ3 3.75Å; L651-W721 HydrophobicContact CD1-CH2 3.49Å; L651-W721 VanDerWaalsContact CD1-CH2 3.49Å; L651-W721 HydrophobicContact CD1-CZ3 3.59Å; E710-W721 HydrophobicContact CB-CH2 4.46Å; E710-W721 HydrophobicContact CB-CZ2 4.08Å; E710-W721 HydrophobicContact CG-CH2 3.84Å; E710-W721 HydrophobicContact CG-CZ2 3.72Å; F714-W721 HydrophobicContact CD1-CH2 4.38Å; F714-W721 AromaticContact CE1-CH2 3.92Å; F714-W721 HydrophobicContact CE1-CH2 3.92Å; F714-W721 HydrophobicContact CE1-CZ3 4.12Å; T715-W721 HydrophobicContact CG2-CD2 3.8Å; T715-W721 VanDerWaalsContact CG2-CE2 3.48Å; T715-W721 HydrophobicContact CG2-CE3 4.4Å; T715-W721 HydrophobicContact CG2-CG 4.14Å; T715-W721 HydrophobicContact CG2-CH2 4.35Å; T715-W721 HydrophobicContact CG2-CZ2 3.81Å; F718-W721 HydrophobicContact CB-CE3 3.58Å; F718-W721 HydrophobicContact CB-CZ3 4.14Å; F718-W721 HydrophobicContact CD1-CE3 4.48Å; F718-W721 HydrophobicContact CD1-CZ3 4.25Å; F718-W721 AromaticContact CD2-CE3 3.94Å; F718-W721 HydrophobicContact CD2-CE3 3.94Å; F718-W721 AromaticContact CD2-CZ3 3.72Å; F718-W721 HydrophobicContact CD2-CZ3 3.72Å; F718-W721 HydrophobicContact CE2-CZ3 4.16Å; F718-W721 AromaticContact CG-CE3 3.76Å; F718-W721 HydrophobicContact CG-CE3 3.76Å; F718-W721 AromaticContact CG-CZ3 3.78Å; F718-W721 HydrophobicContact CG-CZ3 3.78Å; W721-H723 AromaticContact CD1-CE1 3.73Å; W721-H723 AromaticContact CD1-CG 3.98Å; W721-H723 AromaticContact CD1-ND1 3.68Å; W721-H723 AromaticContact NE1-CE1 3.72Å; W721-H723 AromaticContact NE1-ND1 3.42Å; W721-H723 PolarHBondContact NE1-ND1 3.25Å; W721-W726 AromaticContact CH2-CH2 3.75Å; W721-W726 HydrophobicContact CH2-CH2 3.75Å; W721-W726 HydrophobicContact CH2-CZ3 4.26Å; W721-W726 AromaticContact CZ2-CH2 3.79Å; W721-W726 HydrophobicContact CZ2-CH2 3.79Å; W721-W726 AromaticContact CZ2-CZ3 3.82Å; W721-W726 HydrophobicContact CZ2-CZ3 3.82Å | ||
| 722 | D | 64.2 | Low | 68.2 | Low | 67 Ų | 67 | 48.8 Ų | 48.8 | 36% | 0.358 | 28% | 0.275 | S | S | . | . | trans | -108.5 | 115.9 | 175.1 | 176.5 | 12.2 | 0 | 0 | 0 | 109.4 | Q648 G720 D724 Y725 | Q648-D722 PolarHBondContact NE2-O 3.32Å; Q648-D722 PolarHBondContact OE1-O 2.83Å; G720-D722 PolarHBondContact O-N 3.15Å; D722-D724 PolarHBondContact O-N 3.38Å; D722-D724 PolarHBondContact OD1-N 2.71Å; D722-Y725 WeakPolarHBondContact O-CB 3.33Å; D722-Y725 PolarHBondContact O-N 2.91Å | ||
| 723 | H | 67.3 | Low | 68.6 | Low | 73 Ų | 73 | 51.8 Ų | 51.8 | 34% | 0.338 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -19.7 | 179.6 | -72.6 | -69.7 | 0 | 0 | 0 | 113.8 | R434 W721 Y725 | R434-H723 PolarHBondContact NH1-ND1 2.7Å; W721-H723 AromaticContact CD1-CE1 3.73Å; W721-H723 AromaticContact CD1-CG 3.98Å; W721-H723 AromaticContact CD1-ND1 3.68Å; W721-H723 AromaticContact NE1-CE1 3.72Å; W721-H723 AromaticContact NE1-ND1 3.42Å; W721-H723 PolarHBondContact NE1-ND1 3.25Å; H723-Y725 VanDerWaalsContact C-N 3.3Å |
| 724 | D | 68.8 | Low | 68.3 | Low | 96 Ų | 96 | 52.1 Ų | 52.1 | 51% | 0.513 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 5.8 | 176.6 | -62.3 | -31.1 | 0 | 0 | 0 | 111.3 | D722 W726 T727 | D722-D724 PolarHBondContact O-N 3.38Å; D722-D724 PolarHBondContact OD1-N 2.71Å; D724-W726 VanDerWaalsContact C-N 3.29Å; D724-W726 PolarHBondContact O-N 3.16Å; D724-T727 HydrophobicContact CB-CG2 3.94Å; D724-T727 WeakPolarHBondContact O-CB 3.44Å; D724-T727 WeakPolarHBondContact O-CG2 3.43Å; D724-T727 PolarHBondContact O-N 2.81Å; D724-T727 PolarHBondContact O-OG1 2.92Å |
| 725 | Y | 67.9 | Low | 68.1 | Low | 27 Ų | 27 | 55.5 Ų | 55.5 | 11% | 0.106 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -53.6 | -42.4 | -175.4 | -177.7 | -100.8 | 0 | 0 | 0 | 113.1 | Q648 D649 D722 H723 P730 R733 | Q648-Y725 HydrophobicContact CG-CD1 4.13Å; Q648-Y725 HydrophobicContact CG-CG 4.33Å; Q648-Y725 VanDerWaalsContact NE2-CB 3.35Å; D649-Y725 WeakPolarHBondContact OD1-CE2 3.27Å; D649-Y725 VanDerWaalsContact OD1-CZ 3.24Å; D649-Y725 PolarHBondContact OD1-OH 2.95Å; D722-Y725 WeakPolarHBondContact O-CB 3.33Å; D722-Y725 PolarHBondContact O-N 2.91Å; H723-Y725 VanDerWaalsContact C-N 3.3Å; Y725-P730 HydrophobicContact CD1-CG 4.34Å; Y725-P730 HydrophobicContact CE1-CB 4.23Å; Y725-P730 HydrophobicContact CE1-CG 3.6Å; Y725-P730 WeakPolarHBondContact OH-CB 3.46Å; Y725-R733 PolarHBondContact O-NH2 2.92Å |
| 726 | W | 79.1 | Confident | 68.1 | Low | 53 Ų | 53 | 58 Ų | 58 | 20% | 0.201 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -92.4 | 7.6 | 179.8 | -61.1 | -69.9 | 0 | 0 | 0 | 114.3 | Q648 L651 W668 Q707 E710 W721 D724 S728 | Q648-W726 HydrophobicContact CG-CH2 3.99Å; Q648-W726 HydrophobicContact CG-CZ2 4.02Å; L651-W726 HydrophobicContact CB-CZ2 4.29Å; L651-W726 HydrophobicContact CD1-CH2 4.27Å; W668-W726 AromaticContact CZ2-CH2 3.98Å; W668-W726 HydrophobicContact CZ2-CH2 3.98Å; W668-W726 AromaticContact CZ2-CZ2 3.91Å; W668-W726 HydrophobicContact CZ2-CZ2 3.91Å; Q707-W726 HydrophobicContact CG-CD2 4.15Å; Q707-W726 HydrophobicContact CG-CE3 4.14Å; Q707-W726 HydrophobicContact CG-CH2 4.47Å; Q707-W726 HydrophobicContact CG-CZ2 4.49Å; Q707-W726 HydrophobicContact CG-CZ3 4.3Å; E710-W726 WeakPolarHBondContact OE1-CH2 3.4Å; E710-W726 WeakPolarHBondContact OE1-CZ3 3.31Å; W721-W726 AromaticContact CH2-CH2 3.75Å; W721-W726 HydrophobicContact CH2-CH2 3.75Å; W721-W726 HydrophobicContact CH2-CZ3 4.26Å; W721-W726 AromaticContact CZ2-CH2 3.79Å; W721-W726 HydrophobicContact CZ2-CH2 3.79Å; W721-W726 AromaticContact CZ2-CZ3 3.82Å; W721-W726 HydrophobicContact CZ2-CZ3 3.82Å; D724-W726 VanDerWaalsContact C-N 3.29Å; D724-W726 PolarHBondContact O-N 3.16Å; W726-S728 VanDerWaalsContact C-N 3.26Å; W726-S728 PolarHBondContact O-N 3.14Å |
| 727 | T | 77.1 | Confident | 68.6 | Low | 110 Ų | 110 | 61.6 Ų | 61.6 | 68% | 0.675 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -71.3 | -25.5 | 174.9 | 62.8 | 0 | 0 | 0 | 0 | 112.4 | D724 | D724-T727 HydrophobicContact CB-CG2 3.94Å; D724-T727 WeakPolarHBondContact O-CB 3.44Å; D724-T727 WeakPolarHBondContact O-CG2 3.43Å; D724-T727 PolarHBondContact O-N 2.81Å; D724-T727 PolarHBondContact O-OG1 2.92Å |
| 728 | S | 72.4 | Confident | 68.7 | Low | 54 Ų | 54 | 61.5 Ų | 61.5 | 38% | 0.378 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -124.9 | 147.7 | 170.3 | 59.6 | 0 | 0 | 0 | 0 | 108.5 | W726 P730 | W726-S728 VanDerWaalsContact C-N 3.26Å; W726-S728 PolarHBondContact O-N 3.14Å; S728-P730 WeakPolarHBondContact O-CD 3.37Å |
| 729 | D | 74.2 | Confident | 68.4 | Low | 37 Ų | 37 | 65.6 Ų | 65.6 | 20% | 0.198 | 37% | 0.374 | C | S | . | . | trans | -66 | 126.3 | -174.6 | -174.3 | -115.1 | 0 | 0 | 0 | 111.6 | R183 L731 E732 R733 | R183-D729 IonicContact CZ-OD2 2.96Å; R183-D729 IonicContact NH2-OD1 3.68Å; R183-D729 PolarHBondContact NH2-OD1 3.18Å; R183-D729 IonicContact NH2-OD2 2.7Å; R183-D729 PolarHBondContact NH2-OD2 3.18Å; D729-L731 VanDerWaalsContact C-N 3.27Å; D729-L731 PolarHBondContact O-N 3.4Å; D729-L731 WeakPolarHBondContact OD1-CB 3.37Å; D729-L731 PolarHBondContact OD1-N 2.96Å; D729-E732 HydrophobicContact CB-CB 3.94Å; D729-E732 HydrophobicContact CB-CG 3.77Å; D729-E732 PolarHBondContact O-N 3.33Å; D729-E732 PolarHBondContact OD1-N 3.45Å; D729-R733 WeakPolarHBondContact O-CB 3.39Å; D729-R733 PolarHBondContact O-N 3.46Å | ||
| 730 | P | 67.9 | Low | 68 | Low | 19 Ų | 19 | 67.9 Ų | 67.9 | 12% | 0.123 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -57.6 | -37.1 | -179 | -28.3 | 36.4 | 0 | 0 | 0 | 114.2 | Y725 S728 A734 | Y725-P730 HydrophobicContact CD1-CG 4.34Å; Y725-P730 HydrophobicContact CE1-CB 4.23Å; Y725-P730 HydrophobicContact CE1-CG 3.6Å; Y725-P730 WeakPolarHBondContact OH-CB 3.46Å; S728-P730 WeakPolarHBondContact O-CD 3.37Å; P730-A734 WeakPolarHBondContact O-CB 3.14Å; P730-A734 PolarHBondContact O-N 2.78Å |
| 731 | L | 69.5 | Low | 68.8 | Low | 26 Ų | 26 | 67.7 Ų | 67.7 | 14% | 0.136 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -70.8 | -45.6 | 178.3 | 178.4 | 63 | 0 | 0 | 0 | 110.6 | K186 L187 D729 R733 A734 M735 | K186-L731 HydrophobicContact CB-CD1 4Å; K186-L731 HydrophobicContact CB-CD2 4.04Å; K186-L731 HydrophobicContact CD-CD2 4.19Å; L187-L731 HydrophobicContact CB-CD1 4.3Å; D729-L731 VanDerWaalsContact C-N 3.27Å; D729-L731 PolarHBondContact O-N 3.4Å; D729-L731 WeakPolarHBondContact OD1-CB 3.37Å; D729-L731 PolarHBondContact OD1-N 2.96Å; L731-R733 VanDerWaalsContact C-N 3.33Å; L731-R733 PolarHBondContact O-N 3.37Å; L731-A734 PolarHBondContact O-N 2.92Å; L731-M735 HydrophobicContact CD1-CG 4.27Å; L731-M735 HydrophobicContact CD1-SD 4.25Å; L731-M735 HydrophobicContact CG-CG 4.49Å; L731-M735 HydrophobicContact CG-SD 4.06Å; L731-M735 WeakPolarHBondContact O-CB 3.29Å; L731-M735 VanDerWaalsContact O-CG 3.25Å; L731-M735 WeakPolarHBondContact O-CG 3.12Å; L731-M735 PolarHBondContact O-N 2.94Å |
| 732 | E | 77.9 | Confident | 69.1 | Low | 135 Ų | 135 | 69.3 Ų | 69.3 | 63% | 0.631 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -59.6 | -42.9 | 175.9 | -65.6 | -177.9 | 168.6 | 0 | 0 | 112.2 | D729 M735 A736 | D729-E732 HydrophobicContact CB-CB 3.94Å; D729-E732 HydrophobicContact CB-CG 3.77Å; D729-E732 PolarHBondContact O-N 3.33Å; D729-E732 PolarHBondContact OD1-N 3.45Å; E732-M735 PolarHBondContact O-N 2.96Å; E732-A736 WeakPolarHBondContact O-CB 3.38Å; E732-A736 PolarHBondContact O-N 3.34Å |
| 733 | R | 76.8 | Confident | 69.3 | Low | 74 Ų | 74 | 69.4 Ų | 69.4 | 28% | 0.279 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62 | -45.7 | 176 | 176.6 | 172.1 | 41.7 | -167.1 | -16.6 | 111.7 | Y725 D729 L731 M735 A736 E737 | Y725-R733 PolarHBondContact O-NH2 2.92Å; D729-R733 WeakPolarHBondContact O-CB 3.39Å; D729-R733 PolarHBondContact O-N 3.46Å; L731-R733 VanDerWaalsContact C-N 3.33Å; L731-R733 PolarHBondContact O-N 3.37Å; R733-M735 VanDerWaalsContact C-N 3.31Å; R733-M735 PolarHBondContact O-N 3.32Å; R733-A736 PolarHBondContact O-N 3.34Å; R733-E737 PolarHBondContact O-N 3.49Å |
| 734 | A | 66.9 | Low | 69.5 | Low | 18 Ų | 18 | 69.2 Ų | 69.2 | 15% | 0.149 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.8 | -38 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | L187 T190 P730 L731 E737 | L187-A734 HydrophobicContact CD1-CB 3.61Å; T190-A734 HydrophobicContact CG2-CB 4.11Å; P730-A734 WeakPolarHBondContact O-CB 3.14Å; P730-A734 PolarHBondContact O-N 2.78Å; L731-A734 PolarHBondContact O-N 2.92Å; A734-E737 PolarHBondContact O-N 2.76Å |
| 735 | M | 73.5 | Confident | 69.5 | Low | 72 Ų | 72 | 67.6 Ų | 67.6 | 36% | 0.355 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68.8 | -36.6 | 175.6 | -70.3 | 179 | 78.6 | 0 | 0 | 112.3 | V209 L731 E732 R733 E737 L738 A739 | V209-M735 HydrophobicContact CB-CE 3.96Å; V209-M735 HydrophobicContact CG1-CE 3.85Å; V209-M735 HydrophobicContact CG2-CE 4.43Å; L731-M735 HydrophobicContact CD1-CG 4.27Å; L731-M735 HydrophobicContact CD1-SD 4.25Å; L731-M735 HydrophobicContact CG-CG 4.49Å; L731-M735 HydrophobicContact CG-SD 4.06Å; L731-M735 WeakPolarHBondContact O-CB 3.29Å; L731-M735 VanDerWaalsContact O-CG 3.25Å; L731-M735 WeakPolarHBondContact O-CG 3.12Å; L731-M735 PolarHBondContact O-N 2.94Å; E732-M735 PolarHBondContact O-N 2.96Å; R733-M735 VanDerWaalsContact C-N 3.31Å; R733-M735 PolarHBondContact O-N 3.32Å; M735-E737 VanDerWaalsContact C-N 3.31Å; M735-E737 PolarHBondContact O-N 2.99Å; M735-L738 WeakPolarHBondContact O-CB 3.5Å; M735-L738 PolarHBondContact O-N 3.43Å; M735-L738 VanDerWaalsContact O-N 3.14Å; M735-A739 PolarHBondContact O-N 3.14Å |
| 736 | A | 72.9 | Confident | 69.6 | Low | 57 Ų | 57 | 70.3 Ų | 70.3 | 47% | 0.471 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.3 | -36.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | E732 R733 L738 A739 | E732-A736 WeakPolarHBondContact O-CB 3.38Å; E732-A736 PolarHBondContact O-N 3.34Å; R733-A736 PolarHBondContact O-N 3.34Å; A736-L738 PolarHBondContact O-N 2.88Å; A736-A739 PolarHBondContact O-N 3.33Å |
| 737 | E | 67.4 | Low | 68.9 | Low | 94 Ų | 94 | 71.5 Ų | 71.5 | 44% | 0.439 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.1 | -24.2 | 174.1 | -71.5 | -171.7 | -177 | 0 | 0 | 113.9 | K194 R733 A734 M735 | K194-E737 IonicContact NZ-OE2 2.76Å; K194-E737 PolarHBondContact NZ-OE2 3.15Å; R733-E737 PolarHBondContact O-N 3.49Å; A734-E737 PolarHBondContact O-N 2.76Å; M735-E737 VanDerWaalsContact C-N 3.31Å; M735-E737 PolarHBondContact O-N 2.99Å |
| 738 | L | 65.7 | Low | 68.3 | Low | 17 Ų | 17 | 68.5 Ų | 68.5 | 9% | 0.089 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -80.8 | -21.1 | 175.7 | -63.3 | 179 | 0 | 0 | 0 | 112.8 | T190 K194 V207 V209 M735 A736 L740 | T190-L738 HydrophobicContact CG2-CD1 3.68Å; T190-L738 HydrophobicContact CG2-CG 4.19Å; K194-L738 HydrophobicContact CB-CD2 4.35Å; V207-L738 HydrophobicContact CB-CD1 4.45Å; V207-L738 HydrophobicContact CB-CD2 4.16Å; V207-L738 HydrophobicContact CG1-CD1 3.9Å; V207-L738 HydrophobicContact CG1-CD2 4.3Å; V207-L738 HydrophobicContact CG2-CD2 4.41Å; V209-L738 HydrophobicContact CG2-CD1 3.79Å; M735-L738 WeakPolarHBondContact O-CB 3.5Å; M735-L738 PolarHBondContact O-N 3.43Å; M735-L738 VanDerWaalsContact O-N 3.14Å; A736-L738 PolarHBondContact O-N 2.88Å; L738-L740 VanDerWaalsContact C-N 3.32Å |
| 739 | A | 56.7 | Low | 68 | Low | 92 Ų | 92 | 69.8 Ų | 69.8 | 76% | 0.76 | 39% | 0.388 | S | S | * | . | trans | -84.3 | -8.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | M735 A736 | M735-A739 PolarHBondContact O-N 3.14Å; A736-A739 PolarHBondContact O-N 3.33Å | ||
| 740 | L | 46.1 | Very low | 67.4 | Low | 196 Ų | 196 | 72.7 Ų | 72.7 | 100% | 1.026 | 41% | 0.405 | S | S | * | . | trans | -89.2 | 0 | 171.1 | -67 | 168.3 | 0 | 0 | 0 | 110.3 | L738 | L738-L740 VanDerWaalsContact C-N 3.32Š|
Retrieved 740 of 740 residues in 1106.3 ms
(Link to these results)