| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.6 | Very low | 73.9 | Confident | 244 Ų | 244 | 102.1 Ų | 102.1 | 100% | 1.202 | 58% | 0.576 | S | S | * | * | 0 | 101.6 | 0 | -65 | 173.3 | 99.4 | 0 | 0 | 104.6 | S3 | M1-S3 PolarHBondContact O-N 3.49Š| |||
| 2 | S | 47.2 | Very low | 75.9 | Confident | 113 Ų | 113 | 103.4 Ų | 103.4 | 79% | 0.79 | 57% | 0.566 | S | S | * | * | trans | -69.6 | 127.2 | 172.9 | -166.6 | 0 | 0 | 0 | 0 | 106.1 | S4 | S2-S4 PolarHBondContact O-N 2.92Š| ||
| 3 | S | 48.5 | Very low | 77.6 | Confident | 94 Ų | 94 | 95.9 Ų | 95.9 | 66% | 0.657 | 52% | 0.524 | S | S | * | . | trans | -49.9 | 135.7 | 163.5 | 47.5 | 0 | 0 | 0 | 0 | 107.5 | M1 E5 | M1-S3 PolarHBondContact O-N 3.49Å; S3-E5 PolarHBondContact O-N 3.39Å | ||
| 4 | S | 54.8 | Low | 79.1 | Confident | 110 Ų | 110 | 90.4 Ų | 90.4 | 77% | 0.769 | 50% | 0.495 | S | S | * | . | trans | -55.2 | 105.1 | 164.3 | 43.3 | 0 | 0 | 0 | 0 | 106.8 | S2 E6 | S2-S4 PolarHBondContact O-N 2.92Å; S4-E6 PolarHBondContact O-N 3Å | ||
| 5 | E | 64.5 | Low | 80.3 | Confident | 174 Ų | 174 | 88.7 Ų | 88.7 | 81% | 0.813 | 51% | 0.508 | S | S | * | . | trans | -55.9 | 113.7 | 167.1 | -82.2 | 172.5 | 157.3 | 0 | 0 | 105.9 | S3 V7 | S3-E5 PolarHBondContact O-N 3.39Å; E5-V7 PolarHBondContact O-N 3.33Å | ||
| 6 | E | 81.6 | Confident | 81.4 | Confident | 187 Ų | 187 | 86.6 Ų | 86.6 | 87% | 0.874 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 126.2 | 169.5 | -82.2 | 173.9 | 156.8 | 0 | 0 | 107.2 | S4 S8 | S4-E6 PolarHBondContact O-N 3Å; E6-S8 PolarHBondContact O-N 2.99Å |
| 7 | V | 91.1 | Very high | 82.3 | Confident | 101 Ų | 101 | 93.9 Ų | 93.9 | 61% | 0.612 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -73.3 | 120.4 | 178.7 | 178.9 | 0 | 0 | 0 | 0 | 106.4 | E5 W12 | E5-V7 PolarHBondContact O-N 3.33Å; V7-W12 HydrophobicContact CG1-CB 4.05Å |
| 8 | S | 96.1 | Very high | 83.1 | Confident | 33 Ų | 33 | 88.9 Ų | 88.9 | 23% | 0.231 | 49% | 0.485 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 154.7 | 176.8 | 64.5 | 0 | 0 | 0 | 0 | 111.3 | E6 I10 S11 W12 D55 | E6-S8 PolarHBondContact O-N 2.99Å; S8-I10 PolarHBondContact O-N 3.21Å; S8-S11 PolarHBondContact O-N 3Å; S8-S11 VanDerWaalsContact O-N 3.13Å; S8-S11 PolarHBondContact OG-N 3.25Å; S8-W12 WeakPolarHBondContact O-CB 3.49Å; S8-W12 PolarHBondContact O-N 3.36Å; S8-D55 WeakPolarHBondContact CA-OD2 3.3Å; S8-D55 WeakPolarHBondContact CB-OD2 3.43Å |
| 9 | W | 97.4 | Very high | 83.9 | Confident | 22 Ų | 22 | 85.4 Ų | 85.4 | 8% | 0.083 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -52.6 | -40.8 | 175.8 | -174.1 | 98.2 | 0 | 0 | 0 | 111.5 | W12 F13 I53 D55 A76 E77 Y80 | W9-W12 HydrophobicContact CD2-CE3 4.46Å; W9-W12 AromaticContact CE2-CZ3 3.93Å; W9-W12 HydrophobicContact CG-CE3 4.37Å; W9-W12 HydrophobicContact CZ2-CZ3 4.29Å; W9-W12 AromaticContact NE1-CZ3 3.64Å; W9-W12 PolarHBondContact O-N 3.11Å; W9-F13 HydrophobicContact CD2-CB 4.44Å; W9-F13 HydrophobicContact CE3-CB 4.05Å; W9-F13 HydrophobicContact CH2-CB 3.91Å; W9-F13 HydrophobicContact CH2-CD1 4.34Å; W9-F13 AromaticContact CH2-CD2 3.71Å; W9-F13 HydrophobicContact CH2-CD2 3.71Å; W9-F13 HydrophobicContact CH2-CE2 4.34Å; W9-F13 AromaticContact CH2-CG 3.71Å; W9-F13 HydrophobicContact CH2-CG 3.71Å; W9-F13 HydrophobicContact CZ2-CB 4.35Å; W9-F13 HydrophobicContact CZ2-CD2 4.05Å; W9-F13 HydrophobicContact CZ2-CG 4.35Å; W9-F13 HydrophobicContact CZ3-CB 3.74Å; W9-F13 HydrophobicContact CZ3-CD1 4.33Å; W9-F13 HydrophobicContact CZ3-CD2 4.35Å; W9-F13 AromaticContact CZ3-CG 3.88Å; W9-F13 HydrophobicContact CZ3-CG 3.88Å; W9-F13 VanDerWaalsContact O-CB 3.29Å; W9-F13 WeakPolarHBondContact O-CB 3.48Å; W9-F13 PolarHBondContact O-N 2.79Å; W9-I53 HydrophobicContact CD2-CG1 4.37Å; W9-I53 HydrophobicContact CE3-CB 4.24Å; W9-I53 HydrophobicContact CE3-CG1 3.99Å; W9-I53 HydrophobicContact CE3-CG2 4.17Å; W9-I53 HydrophobicContact CH2-CG1 4.13Å; W9-I53 HydrophobicContact CZ2-CG1 4.45Å; W9-I53 HydrophobicContact CZ3-CG1 3.89Å; W9-I53 HydrophobicContact CZ3-CG2 4.4Å; W9-D55 WeakPolarHBondContact CB-OD1 3.42Å; W9-D55 PolarHBondContact N-OD1 3.5Å; W9-D55 PolarHBondContact N-OD2 2.81Å; W9-A76 HydrophobicContact CH2-CB 4.48Å; W9-A76 HydrophobicContact CZ2-CB 3.84Å; W9-E77 HydrophobicContact CZ2-CG 4.47Å; W9-Y80 HydrophobicContact CH2-CG 4.08Å; W9-Y80 HydrophobicContact CZ3-CD1 4.13Å; W9-Y80 AromaticContact CZ3-CD2 3.78Å; W9-Y80 HydrophobicContact CZ3-CD2 3.78Å; W9-Y80 HydrophobicContact CZ3-CE2 4.49Å; W9-Y80 AromaticContact CZ3-CG 3.57Å; W9-Y80 HydrophobicContact CZ3-CG 3.57Å |
| 10 | I | 98.2 | Very high | 84.6 | Confident | 4 Ų | 4 | 83.8 Ų | 83.8 | 2% | 0.021 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -61.2 | -49.5 | 179.4 | -63.3 | 179 | 0 | 0 | 0 | 111.4 | S8 F13 C14 E24 E27 I30 I53 Y80 | S8-I10 PolarHBondContact O-N 3.21Å; I10-F13 PolarHBondContact O-N 3.4Å; I10-C14 WeakPolarHBondContact O-CB 3.32Å; I10-C14 PolarHBondContact O-N 3.48Å; I10-C14 PolarHBondContact O-SG 3.05Å; I10-E24 HydrophobicContact CG2-CB 3.92Å; I10-E24 HydrophobicContact CG2-CG 4.19Å; I10-E27 HydrophobicContact CD1-CG 4.15Å; I10-I30 HydrophobicContact CD1-CD1 3.7Å; I10-I53 HydrophobicContact CD1-CG2 4.41Å; I10-I53 HydrophobicContact CG1-CG2 4.19Å; I10-Y80 HydrophobicContact CB-CE2 4.44Å; I10-Y80 HydrophobicContact CD1-CE2 4.31Å; I10-Y80 HydrophobicContact CG1-CE2 3.96Å; I10-Y80 HydrophobicContact CG2-CE2 3.94Å; I10-Y80 WeakPolarHBondContact CG2-OH 3.47Å |
| 11 | S | 97.8 | Very high | 85.3 | Confident | 41 Ų | 41 | 80 Ų | 80 | 29% | 0.287 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -69.2 | -38.1 | -179.2 | -167.9 | 0 | 0 | 0 | 0 | 111.4 | S8 G15 E24 | S8-S11 PolarHBondContact O-N 3Å; S8-S11 VanDerWaalsContact O-N 3.13Å; S8-S11 PolarHBondContact OG-N 3.25Å; S11-G15 PolarHBondContact O-N 2.79Å; S11-E24 WeakPolarHBondContact CA-OE1 3.29Å; S11-E24 WeakPolarHBondContact CB-OE1 3.32Å; S11-E24 PolarHBondContact OG-OE1 3.22Å |
| 12 | W | 97.6 | Very high | 88.3 | Confident | 118 Ų | 118 | 68.6 Ų | 68.6 | 45% | 0.447 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -57.6 | -52.6 | 171.2 | 167.5 | 80.3 | 0 | 0 | 0 | 111.5 | V7 S8 W9 C14 G15 L16 | V7-W12 HydrophobicContact CG1-CB 4.05Å; S8-W12 WeakPolarHBondContact O-CB 3.49Å; S8-W12 PolarHBondContact O-N 3.36Å; W9-W12 HydrophobicContact CD2-CE3 4.46Å; W9-W12 AromaticContact CE2-CZ3 3.93Å; W9-W12 HydrophobicContact CG-CE3 4.37Å; W9-W12 HydrophobicContact CZ2-CZ3 4.29Å; W9-W12 AromaticContact NE1-CZ3 3.64Å; W9-W12 PolarHBondContact O-N 3.11Å; W12-C14 PolarHBondContact O-N 3.36Å; W12-G15 PolarHBondContact O-N 2.97Å; W12-G15 VanDerWaalsContact O-N 3.12Å; W12-L16 HydrophobicContact CH2-CD1 3.95Å; W12-L16 HydrophobicContact CZ2-CD1 3.92Å; W12-L16 HydrophobicContact CZ2-CD2 4.12Å; W12-L16 HydrophobicContact CZ2-CG 4.47Å; W12-L16 HydrophobicContact CZ3-CD1 4.3Å; W12-L16 WeakPolarHBondContact O-CG 3.48Å; W12-L16 PolarHBondContact O-N 2.97Å |
| 13 | F | 98.2 | Very high | 90.7 | Very high | 6 Ų | 6 | 63.4 Ų | 63.4 | 3% | 0.026 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.6 | -45.7 | -177.8 | 178 | -94.7 | 0 | 0 | 0 | 111.7 | W9 I10 G15 L16 N19 F22 E77 Y80 | W9-F13 HydrophobicContact CD2-CB 4.44Å; W9-F13 HydrophobicContact CE3-CB 4.05Å; W9-F13 HydrophobicContact CH2-CB 3.91Å; W9-F13 HydrophobicContact CH2-CD1 4.34Å; W9-F13 AromaticContact CH2-CD2 3.71Å; W9-F13 HydrophobicContact CH2-CD2 3.71Å; W9-F13 HydrophobicContact CH2-CE2 4.34Å; W9-F13 AromaticContact CH2-CG 3.71Å; W9-F13 HydrophobicContact CH2-CG 3.71Å; W9-F13 HydrophobicContact CZ2-CB 4.35Å; W9-F13 HydrophobicContact CZ2-CD2 4.05Å; W9-F13 HydrophobicContact CZ2-CG 4.35Å; W9-F13 HydrophobicContact CZ3-CB 3.74Å; W9-F13 HydrophobicContact CZ3-CD1 4.33Å; W9-F13 HydrophobicContact CZ3-CD2 4.35Å; W9-F13 AromaticContact CZ3-CG 3.88Å; W9-F13 HydrophobicContact CZ3-CG 3.88Å; W9-F13 VanDerWaalsContact O-CB 3.29Å; W9-F13 WeakPolarHBondContact O-CB 3.48Å; W9-F13 PolarHBondContact O-N 2.79Å; I10-F13 PolarHBondContact O-N 3.4Å; F13-G15 PolarHBondContact O-N 3.41Å; F13-L16 HydrophobicContact CD2-CD1 4.26Å; F13-L16 WeakPolarHBondContact O-CB 3.37Å; F13-L16 PolarHBondContact O-N 3.14Å; F13-N19 VanDerWaalsContact CE2-ND2 3.3Å; F13-N19 WeakPolarHBondContact CE2-ND2 3.32Å; F13-N19 VanDerWaalsContact CZ-ND2 3.28Å; F13-N19 WeakPolarHBondContact CZ-ND2 3.47Å; F13-N19 VanDerWaalsContact O-CB 3.31Å; F13-N19 WeakPolarHBondContact O-CB 3.34Å; F13-N19 PolarHBondContact O-ND2 3.1Å; F13-F22 HydrophobicContact CE1-CD1 4.4Å; F13-F22 HydrophobicContact CE1-CD2 4.06Å; F13-F22 HydrophobicContact CE1-CE1 4.39Å; F13-F22 HydrophobicContact CE1-CE2 4.04Å; F13-F22 HydrophobicContact CE1-CG 4.24Å; F13-F22 HydrophobicContact CE1-CZ 4.21Å; F13-F22 HydrophobicContact CZ-CE2 4.31Å; F13-F22 HydrophobicContact CZ-CZ 4.43Å; F13-E77 HydrophobicContact CD2-CG 4.18Å; F13-E77 HydrophobicContact CE2-CB 4.02Å; F13-E77 HydrophobicContact CE2-CG 3.66Å; F13-Y80 AromaticContact CD1-CD1 3.49Å; F13-Y80 HydrophobicContact CD1-CD1 3.49Å; F13-Y80 VanDerWaalsContact CD1-CD1 3.49Å; F13-Y80 AromaticContact CD1-CE1 3.58Å; F13-Y80 HydrophobicContact CD1-CE1 3.58Å; F13-Y80 HydrophobicContact CD1-CG 4.46Å; F13-Y80 AromaticContact CE1-CD1 3.45Å; F13-Y80 HydrophobicContact CE1-CD1 3.45Å; F13-Y80 VanDerWaalsContact CE1-CD1 3.45Å; F13-Y80 AromaticContact CE1-CE1 3.78Å; F13-Y80 HydrophobicContact CE1-CE1 3.78Å; F13-Y80 HydrophobicContact CG-CD1 4.44Å; F13-Y80 HydrophobicContact CZ-CD1 4.36Å |
| 14 | C | 98.3 | Very high | 93.1 | Very high | 18 Ų | 18 | 63.1 Ų | 63.1 | 12% | 0.122 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.6 | -26.6 | 177.7 | -64.6 | 0 | 0 | 0 | 0 | 112.5 | I10 W12 L16 E24 Y80 | I10-C14 WeakPolarHBondContact O-CB 3.32Å; I10-C14 PolarHBondContact O-N 3.48Å; I10-C14 PolarHBondContact O-SG 3.05Å; W12-C14 PolarHBondContact O-N 3.36Å; C14-L16 VanDerWaalsContact C-N 3.35Å; C14-E24 HydrophobicContact CB-CG 4.04Å; C14-Y80 PolarHBondContact SG-OH 3.4Å; C14-Y80 VanDerWaalsContact SG-OH 3.4Å |
| 15 | G | 97.4 | Very high | 95.2 | Very high | 66 Ų | 66 | 58 Ų | 58 | 68% | 0.68 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -78.1 | -12 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | S11 W12 F13 | S11-G15 PolarHBondContact O-N 2.79Å; W12-G15 PolarHBondContact O-N 2.97Å; W12-G15 VanDerWaalsContact O-N 3.12Å; F13-G15 PolarHBondContact O-N 3.41Å |
| 16 | L | 97.7 | Very high | 96.8 | Very high | 54 Ų | 54 | 52.1 Ų | 52.1 | 28% | 0.283 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -66 | 147.4 | 179.8 | -65.8 | 177.5 | 0 | 0 | 0 | 112.2 | W12 F13 C14 G18 N19 | W12-L16 HydrophobicContact CH2-CD1 3.95Å; W12-L16 HydrophobicContact CZ2-CD1 3.92Å; W12-L16 HydrophobicContact CZ2-CD2 4.12Å; W12-L16 HydrophobicContact CZ2-CG 4.47Å; W12-L16 HydrophobicContact CZ3-CD1 4.3Å; W12-L16 WeakPolarHBondContact O-CG 3.48Å; W12-L16 PolarHBondContact O-N 2.97Å; F13-L16 HydrophobicContact CD2-CD1 4.26Å; F13-L16 WeakPolarHBondContact O-CB 3.37Å; F13-L16 PolarHBondContact O-N 3.14Å; C14-L16 VanDerWaalsContact C-N 3.35Å; L16-G18 PolarHBondContact O-N 3.27Å; L16-N19 HydrophobicContact CB-CB 4.37Å; L16-N19 WeakPolarHBondContact O-CB 3.27Å; L16-N19 PolarHBondContact O-N 3.47Å |
| 17 | R | 97.4 | Very high | 97.6 | Very high | 212 Ų | 212 | 47 Ų | 47 | 80% | 0.8 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | 121.3 | 175.5 | 176.9 | -179.5 | 172.8 | 159.6 | -1.5 | 110.2 | K168 | R17-K168 HydrophobicContact CG-CD 4.38Š|
| 18 | G | 96.7 | Very high | 97.9 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 103 | -14.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L16 E20 K168 H169 T172 | L16-G18 PolarHBondContact O-N 3.27Å; G18-E20 VanDerWaalsContact C-OE2 3.26Å; G18-E20 VanDerWaalsContact CA-OE2 3.25Å; G18-E20 WeakPolarHBondContact CA-OE2 3.4Å; G18-E20 PolarHBondContact N-OE1 2.73Å; G18-E20 PolarHBondContact N-OE2 3.38Å; G18-E20 VanDerWaalsContact N-OE2 3.15Å; G18-K168 WeakPolarHBondContact CA-O 3.38Å; G18-H169 PolarHBondContact O-CD2 3.33Å; G18-T172 PolarHBondContact O-OG1 3.03Å |
| 19 | N | 98.2 | Very high | 98 | Very high | 22 Ų | 22 | 48 Ų | 48 | 12% | 0.118 | 24% | 0.242 | C | C | . | . | trans | -99.5 | 14.5 | -178.6 | -70 | -1.9 | 0 | 0 | 0 | 113.2 | F13 L16 F21 F22 | F13-N19 VanDerWaalsContact CE2-ND2 3.3Å; F13-N19 WeakPolarHBondContact CE2-ND2 3.32Å; F13-N19 VanDerWaalsContact CZ-ND2 3.28Å; F13-N19 WeakPolarHBondContact CZ-ND2 3.47Å; F13-N19 VanDerWaalsContact O-CB 3.31Å; F13-N19 WeakPolarHBondContact O-CB 3.34Å; F13-N19 PolarHBondContact O-ND2 3.1Å; L16-N19 HydrophobicContact CB-CB 4.37Å; L16-N19 WeakPolarHBondContact O-CB 3.27Å; L16-N19 PolarHBondContact O-N 3.47Å; N19-F21 PolarHBondContact O-N 3.19Å; N19-F22 HydrophobicContact CB-CD2 3.77Å; N19-F22 HydrophobicContact CB-CE2 4.25Å; N19-F22 WeakPolarHBondContact O-CD2 3.34Å; N19-F22 PolarHBondContact O-N 2.7Å | ||
| 20 | E | 98 | Very high | 98 | Very high | 53 Ų | 53 | 47 Ų | 47 | 25% | 0.248 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -12.7 | -174.5 | -56.8 | 88.9 | 163 | 0 | 0 | 113.8 | G18 K100 K168 H169 | G18-E20 VanDerWaalsContact C-OE2 3.26Å; G18-E20 VanDerWaalsContact CA-OE2 3.25Å; G18-E20 WeakPolarHBondContact CA-OE2 3.4Å; G18-E20 PolarHBondContact N-OE1 2.73Å; G18-E20 PolarHBondContact N-OE2 3.38Å; G18-E20 VanDerWaalsContact N-OE2 3.15Å; E20-K100 VanDerWaalsContact O-CE 3.22Å; E20-K100 WeakPolarHBondContact O-CE 3.43Å; E20-K100 PolarHBondContact O-NZ 3.5Å; E20-K168 VanDerWaalsContact OE1-CE 3.29Å; E20-K168 WeakPolarHBondContact OE1-CE 3.39Å; E20-K168 IonicContact OE1-NZ 2.73Å; E20-K168 PolarHBondContact OE1-NZ 2.81Å; E20-K168 WeakPolarHBondContact OE2-CE 3.35Å; E20-K168 IonicContact OE2-NZ 3.23Å; E20-H169 IonicContact OE2-CD2 2.75Å; E20-H169 PolarHBondContact OE2-CD2 3.13Å; E20-H169 IonicContact OE2-CE1 2.78Å; E20-H169 IonicContact OE2-NE2 2.81Å; E20-H169 PolarHBondContact OE2-NE2 2.84Å |
| 21 | F | 98.5 | Very high | 98 | Very high | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.018 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -17.6 | 176.4 | -65.5 | -7.6 | 0 | 0 | 0 | 113.5 | N19 F106 P121 V151 L153 P164 H169 F177 | N19-F21 PolarHBondContact O-N 3.19Å; F21-F106 HydrophobicContact CB-CD1 4.18Å; F21-F106 HydrophobicContact CB-CE1 4.27Å; F21-F106 AromaticContact CD1-CD1 3.68Å; F21-F106 HydrophobicContact CD1-CD1 3.68Å; F21-F106 HydrophobicContact CD1-CE1 4.47Å; F21-F106 HydrophobicContact CE1-CB 4.45Å; F21-F106 HydrophobicContact CE1-CD1 4.35Å; F21-F106 HydrophobicContact CG-CD1 4.05Å; F21-F106 WeakPolarHBondContact O-CE1 3.3Å; F21-P121 HydrophobicContact CD2-CB 4.29Å; F21-V151 HydrophobicContact CD2-CG1 4.16Å; F21-V151 HydrophobicContact CD2-CG2 4.32Å; F21-V151 HydrophobicContact CE2-CG1 4.18Å; F21-L153 HydrophobicContact CE2-CD2 3.8Å; F21-L153 HydrophobicContact CZ-CD1 4.38Å; F21-L153 HydrophobicContact CZ-CD2 3.9Å; F21-P164 HydrophobicContact CE2-CG 4.25Å; F21-H169 AromaticContact CE1-CE1 3.65Å; F21-H169 AromaticContact CE1-NE2 3.72Å; F21-H169 HydrophobicContact CE2-CB 4.06Å; F21-H169 AromaticContact CE2-CG 3.9Å; F21-H169 HydrophobicContact CZ-CB 4.27Å; F21-H169 AromaticContact CZ-CD2 3.93Å; F21-H169 AromaticContact CZ-CE1 3.74Å; F21-H169 AromaticContact CZ-CG 3.72Å; F21-H169 AromaticContact CZ-ND1 3.64Å; F21-H169 AromaticContact CZ-NE2 3.96Å; F21-F177 HydrophobicContact CB-CE1 3.72Å; F21-F177 HydrophobicContact CB-CZ 3.53Å; F21-F177 WeakPolarHBondContact O-CE1 3.41Å |
| 22 | F | 98.7 | Very high | 97.9 | Very high | 5 Ų | 5 | 54.3 Ų | 54.3 | 2% | 0.022 | 27% | 0.271 | C | S | . | . | trans | -74.1 | 145.3 | 177.4 | -67.5 | -84.6 | 0 | 0 | 0 | 111 | F13 N19 Y80 H84 K100 T172 Y176 F177 | F13-F22 HydrophobicContact CE1-CD1 4.4Å; F13-F22 HydrophobicContact CE1-CD2 4.06Å; F13-F22 HydrophobicContact CE1-CE1 4.39Å; F13-F22 HydrophobicContact CE1-CE2 4.04Å; F13-F22 HydrophobicContact CE1-CG 4.24Å; F13-F22 HydrophobicContact CE1-CZ 4.21Å; F13-F22 HydrophobicContact CZ-CE2 4.31Å; F13-F22 HydrophobicContact CZ-CZ 4.43Å; N19-F22 HydrophobicContact CB-CD2 3.77Å; N19-F22 HydrophobicContact CB-CE2 4.25Å; N19-F22 WeakPolarHBondContact O-CD2 3.34Å; N19-F22 PolarHBondContact O-N 2.7Å; F22-Y80 HydrophobicContact CD1-CE1 4.24Å; F22-H84 HydrophobicContact CD1-CB 4.24Å; F22-H84 AromaticContact CD1-CD2 3.73Å; F22-H84 AromaticContact CD1-CE1 3.79Å; F22-H84 AromaticContact CD1-CG 3.65Å; F22-H84 AromaticContact CD1-ND1 3.69Å; F22-H84 AromaticContact CD1-NE2 3.82Å; F22-H84 HydrophobicContact CE1-CB 4.42Å; F22-K100 WeakPolarHBondContact O-CE 3.22Å; F22-K100 PolarHBondContact O-NZ 2.98Å; F22-T172 HydrophobicContact CE2-CG2 3.65Å; F22-T172 HydrophobicContact CZ-CG2 3.8Å; F22-Y176 HydrophobicContact CE1-CD2 4.5Å; F22-Y176 HydrophobicContact CZ-CD2 4.04Å; F22-F177 HydrophobicContact CD1-CZ 4.36Å; F22-F177 HydrophobicContact CD2-CZ 4.46Å; F22-F177 HydrophobicContact CE1-CZ 4.17Å; F22-F177 HydrophobicContact CE2-CZ 4.29Å; F22-F177 HydrophobicContact CG-CZ 4.5Å; F22-F177 HydrophobicContact CZ-CE2 4.33Å; F22-F177 HydrophobicContact CZ-CZ 4.14Å | ||
| 23 | C | 98.6 | Very high | 97.8 | Very high | 4 Ų | 4 | 57.1 Ų | 57.1 | 3% | 0.027 | 29% | 0.286 | C | S | . | . | trans | -97.6 | 158.9 | 158.4 | 66.5 | 0 | 0 | 0 | 0 | 109.8 | V25 Y80 H84 Q96 M97 K100 | C23-V25 PolarHBondContact O-N 2.82Å; C23-Y80 PolarHBondContact O-OH 3.15Å; C23-H84 PolarHBondContact N-NE2 3.25Å; C23-H84 PolarHBondContact O-CD2 3.47Å; C23-H84 PolarHBondContact SG-NE2 3.36Å; C23-H84 VanDerWaalsContact SG-NE2 3.38Å; C23-Q96 HydrophobicContact CB-CB 3.95Å; C23-M97 HydrophobicContact CB-CG 4.42Å; C23-M97 HydrophobicContact CB-SD 3.74Å; C23-K100 HydrophobicContact CB-CD 4.08Å | ||
| 24 | E | 98.7 | Very high | 97.7 | Very high | 88 Ų | 88 | 64.5 Ų | 64.5 | 41% | 0.411 | 32% | 0.318 | S | S | . | . | trans | -78.7 | 112.7 | 177 | -64.4 | -176.1 | -178.5 | 0 | 0 | 108.5 | I10 S11 C14 Q96 | I10-E24 HydrophobicContact CG2-CB 3.92Å; I10-E24 HydrophobicContact CG2-CG 4.19Å; S11-E24 WeakPolarHBondContact CA-OE1 3.29Å; S11-E24 WeakPolarHBondContact CB-OE1 3.32Å; S11-E24 PolarHBondContact OG-OE1 3.22Å; C14-E24 HydrophobicContact CB-CG 4.04Å; E24-Q96 PolarHBondContact O-NE2 3.12Å; E24-Q96 PolarHBondContact O-OE1 3.4Å | ||
| 25 | V | 98.7 | Very high | 97.7 | Very high | 4 Ų | 4 | 65.5 Ų | 65.5 | 2% | 0.024 | 32% | 0.323 | C | S | . | . | trans | -70.4 | 132.4 | 178.7 | 177.9 | 0 | 0 | 0 | 0 | 109.2 | C23 E27 F29 I30 Y80 I83 H84 Y87 | C23-V25 PolarHBondContact O-N 2.82Å; V25-E27 PolarHBondContact O-N 3.38Å; V25-F29 HydrophobicContact CG1-CB 4.41Å; V25-F29 HydrophobicContact CG1-CD1 3.85Å; V25-I30 HydrophobicContact CB-CD1 4.22Å; V25-I30 HydrophobicContact CG1-CD1 3.89Å; V25-I30 HydrophobicContact CG1-CG1 3.67Å; V25-Y80 HydrophobicContact CB-CE2 4Å; V25-Y80 HydrophobicContact CG2-CE2 3.89Å; V25-Y80 PolarHBondContact N-OH 2.69Å; V25-Y80 VanDerWaalsContact N-OH 3.13Å; V25-I83 HydrophobicContact CG1-CG2 4Å; V25-H84 HydrophobicContact CG2-CB 4.19Å; V25-Y87 HydrophobicContact CB-CD1 4.19Å; V25-Y87 HydrophobicContact CB-CE1 4.47Å; V25-Y87 HydrophobicContact CB-CG 4.22Å; V25-Y87 HydrophobicContact CG1-CD1 4.19Å; V25-Y87 HydrophobicContact CG1-CD2 3.72Å; V25-Y87 HydrophobicContact CG1-CE2 4.13Å; V25-Y87 HydrophobicContact CG1-CG 3.72Å; V25-Y87 HydrophobicContact CG2-CD1 3.72Å; V25-Y87 HydrophobicContact CG2-CE1 4.37Å; V25-Y87 HydrophobicContact CG2-CG 3.88Å | ||
| 26 | D | 98.3 | Very high | 97.6 | Very high | 49 Ų | 49 | 62.6 Ų | 62.6 | 26% | 0.262 | 29% | 0.291 | S | S | . | . | trans | -62.6 | 133.4 | 177.1 | -44.8 | -48.7 | 0 | 0 | 0 | 110.9 | D28 F29 I30 Y87 H92 Q96 | D26-D28 PolarHBondContact O-N 2.55Å; D26-F29 HydrophobicContact CB-CB 4.49Å; D26-F29 WeakPolarHBondContact O-CB 3.49Å; D26-F29 PolarHBondContact O-N 3.13Å; D26-I30 PolarHBondContact O-N 3.35Å; D26-Y87 HydrophobicContact CB-CE2 4.48Å; D26-Y87 PolarHBondContact OD1-OH 3.02Å; D26-Y87 VanDerWaalsContact OD1-OH 3.13Å; D26-Y87 WeakPolarHBondContact OD2-CE2 3.42Å; D26-Y87 PolarHBondContact OD2-OH 3.22Å; D26-H92 VanDerWaalsContact CG-ND1 3.34Å; D26-H92 IonicContact OD1-CE1 3.15Å; D26-H92 PolarHBondContact OD1-CE1 2.91Å; D26-H92 IonicContact OD1-ND1 3.22Å; D26-H92 PolarHBondContact OD1-ND1 3.49Å; D26-H92 IonicContact OD2-CE1 3.36Å; D26-H92 PolarHBondContact OD2-CE1 3.38Å; D26-H92 IonicContact OD2-CG 3.54Å; D26-H92 IonicContact OD2-ND1 2.69Å; D26-H92 PolarHBondContact OD2-ND1 3.17Å; D26-Q96 PolarHBondContact OD1-NE2 3.35Å | ||
| 27 | E | 96.8 | Very high | 97.6 | Very high | 80 Ų | 80 | 64.1 Ų | 64.1 | 37% | 0.374 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -57.8 | -37 | 176.6 | -70.5 | 179.4 | -149.1 | 0 | 0 | 112 | I10 V25 F29 I30 Q31 L54 | I10-E27 HydrophobicContact CD1-CG 4.15Å; V25-E27 PolarHBondContact O-N 3.38Å; E27-F29 PolarHBondContact O-N 2.89Å; E27-I30 CarbonylContact O-C 3.56Å; E27-I30 WeakPolarHBondContact O-CA 3.45Å; E27-I30 WeakPolarHBondContact O-CB 3.42Å; E27-I30 PolarHBondContact O-N 3.06Å; E27-Q31 WeakPolarHBondContact O-CB 3.41Å; E27-Q31 WeakPolarHBondContact O-CG 3.4Å; E27-Q31 PolarHBondContact O-N 3.06Å; E27-L54 HydrophobicContact CG-CD2 4.45Å |
| 28 | D | 97.5 | Very high | 97.4 | Very high | 129 Ų | 129 | 55.2 Ų | 55.2 | 69% | 0.69 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -54.9 | -37.6 | 175.6 | -56.1 | 3.6 | 0 | 0 | 0 | 112.1 | D26 D32 | D26-D28 PolarHBondContact O-N 2.55Å; D28-D32 PolarHBondContact O-N 2.9Å |
| 29 | F | 98.5 | Very high | 97.3 | Very high | 26 Ų | 26 | 55.1 Ų | 55.1 | 11% | 0.114 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.6 | -38.1 | 177.1 | 179.3 | -94.2 | 0 | 0 | 0 | 111.5 | V25 D26 E27 N35 I83 R86 Y87 T90 | V25-F29 HydrophobicContact CG1-CB 4.41Å; V25-F29 HydrophobicContact CG1-CD1 3.85Å; D26-F29 HydrophobicContact CB-CB 4.49Å; D26-F29 WeakPolarHBondContact O-CB 3.49Å; D26-F29 PolarHBondContact O-N 3.13Å; E27-F29 PolarHBondContact O-N 2.89Å; F29-N35 HydrophobicContact CD1-CB 4.41Å; F29-N35 HydrophobicContact CD2-CB 4.32Å; F29-N35 VanDerWaalsContact CD2-ND2 3.34Å; F29-N35 WeakPolarHBondContact CD2-ND2 3.45Å; F29-N35 HydrophobicContact CE1-CB 3.97Å; F29-N35 HydrophobicContact CE2-CB 3.85Å; F29-N35 VanDerWaalsContact CE2-CG 3.42Å; F29-N35 HydrophobicContact CZ-CB 3.67Å; F29-N35 PolarHBondContact O-ND2 3.31Å; F29-I83 HydrophobicContact CD1-CG2 4.29Å; F29-I83 HydrophobicContact CE1-CG2 4.16Å; F29-R86 HydrophobicContact CZ-CB 4.36Å; F29-Y87 HydrophobicContact CB-CD2 4.02Å; F29-Y87 HydrophobicContact CB-CE2 4.07Å; F29-Y87 AromaticContact CD1-CD2 3.61Å; F29-Y87 HydrophobicContact CD1-CD2 3.61Å; F29-Y87 HydrophobicContact CD1-CE2 4.48Å; F29-Y87 HydrophobicContact CD1-CG 4.32Å; F29-Y87 AromaticContact CD2-CD2 3.93Å; F29-Y87 HydrophobicContact CD2-CD2 3.93Å; F29-Y87 HydrophobicContact CD2-CE2 4.45Å; F29-Y87 AromaticContact CE1-CD2 3.98Å; F29-Y87 HydrophobicContact CE1-CD2 3.98Å; F29-Y87 HydrophobicContact CE1-CG 4.41Å; F29-Y87 HydrophobicContact CE2-CD2 4.29Å; F29-Y87 AromaticContact CG-CD2 3.57Å; F29-Y87 HydrophobicContact CG-CD2 3.57Å; F29-Y87 HydrophobicContact CG-CE2 4.09Å; F29-Y87 HydrophobicContact CZ-CD2 4.3Å; F29-T90 HydrophobicContact CD2-CG2 4.27Å; F29-T90 HydrophobicContact CE2-CG2 3.57Å; F29-T90 HydrophobicContact CZ-CG2 4.16Å |
| 30 | I | 98.3 | Very high | 97.2 | Very high | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -72.7 | -40.6 | 179.2 | -55.4 | -178.2 | 0 | 0 | 0 | 110.8 | I10 V25 D26 E27 D32 L36 L50 I53 L54 I83 | I10-I30 HydrophobicContact CD1-CD1 3.7Å; V25-I30 HydrophobicContact CB-CD1 4.22Å; V25-I30 HydrophobicContact CG1-CD1 3.89Å; V25-I30 HydrophobicContact CG1-CG1 3.67Å; D26-I30 PolarHBondContact O-N 3.35Å; E27-I30 CarbonylContact O-C 3.56Å; E27-I30 WeakPolarHBondContact O-CA 3.45Å; E27-I30 WeakPolarHBondContact O-CB 3.42Å; E27-I30 PolarHBondContact O-N 3.06Å; I30-D32 VanDerWaalsContact C-N 3.26Å; I30-D32 PolarHBondContact O-N 3.19Å; I30-L36 HydrophobicContact CG2-CD1 4.3Å; I30-L36 VanDerWaalsContact O-CD1 3.27Å; I30-L36 WeakPolarHBondContact O-CD1 3.39Å; I30-L50 HydrophobicContact CG2-CD1 3.63Å; I30-I53 HydrophobicContact CD1-CG2 4.05Å; I30-L54 HydrophobicContact CB-CD2 4.12Å; I30-L54 HydrophobicContact CG2-CD1 4.27Å; I30-L54 HydrophobicContact CG2-CD2 3.8Å; I30-L54 HydrophobicContact CG2-CG 4.17Å; I30-I83 HydrophobicContact CG1-CG2 4.09Å; I30-I83 HydrophobicContact CG2-CD1 4.28Å |
| 31 | Q | 96.9 | Very high | 97 | Very high | 119 Ų | 119 | 63.8 Ų | 63.8 | 56% | 0.556 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -66.7 | -27.3 | -179.8 | -70.9 | 178.7 | 9.9 | 0 | 0 | 112.5 | E27 K33 L54 | E27-Q31 WeakPolarHBondContact O-CB 3.41Å; E27-Q31 WeakPolarHBondContact O-CG 3.4Å; E27-Q31 PolarHBondContact O-N 3.06Å; Q31-K33 PolarHBondContact O-N 3.43Å; Q31-K33 VanDerWaalsContact O-N 3.11Å; Q31-L54 HydrophobicContact CG-CD2 4.48Å |
| 32 | D | 97.5 | Very high | 96.7 | Very high | 79 Ų | 79 | 68.1 Ų | 68.1 | 42% | 0.422 | 34% | 0.339 | S | S | . | . | trans | -74.7 | 98.7 | 170.3 | -176.3 | -0.3 | 0 | 0 | 0 | 111.6 | D28 I30 F34 N35 | D28-D32 PolarHBondContact O-N 2.9Å; I30-D32 VanDerWaalsContact C-N 3.26Å; I30-D32 PolarHBondContact O-N 3.19Å; D32-F34 PolarHBondContact O-N 2.98Å; D32-F34 VanDerWaalsContact OD1-CB 3.3Å; D32-F34 WeakPolarHBondContact OD1-CB 3.21Å; D32-F34 PolarHBondContact OD1-N 2.95Å; D32-N35 WeakPolarHBondContact O-CB 3.34Å; D32-N35 PolarHBondContact O-N 3.38Å | ||
| 33 | K | 94.5 | Very high | 96.5 | Very high | 177 Ų | 177 | 68.2 Ų | 68.2 | 77% | 0.77 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -25.4 | 179.6 | -63.4 | -176.3 | -179.2 | -178.4 | 0 | 114 | Q31 N35 L36 T37 | Q31-K33 PolarHBondContact O-N 3.43Å; Q31-K33 VanDerWaalsContact O-N 3.11Å; K33-N35 VanDerWaalsContact C-N 3.27Å; K33-N35 PolarHBondContact O-N 3.13Å; K33-L36 PolarHBondContact O-N 2.86Å; K33-T37 PolarHBondContact O-N 3.08Å |
| 34 | F | 97.1 | Very high | 96.2 | Very high | 160 Ų | 160 | 71.7 Ų | 71.7 | 70% | 0.702 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -39.4 | 177.2 | -177.2 | -102.2 | 0 | 0 | 0 | 111.5 | D32 L36 T37 | D32-F34 PolarHBondContact O-N 2.98Å; D32-F34 VanDerWaalsContact OD1-CB 3.3Å; D32-F34 WeakPolarHBondContact OD1-CB 3.21Å; D32-F34 PolarHBondContact OD1-N 2.95Å; F34-L36 PolarHBondContact O-N 3.15Å; F34-T37 WeakPolarHBondContact O-CB 3.39Å; F34-T37 PolarHBondContact O-N 3.46Å; F34-T37 PolarHBondContact O-OG1 2.89Å |
| 35 | N | 96.7 | Very high | 96 | Very high | 40 Ų | 40 | 70.7 Ų | 70.7 | 21% | 0.214 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -24.8 | 179.2 | -62.9 | -37.4 | 0 | 0 | 0 | 112.7 | F29 D32 K33 R86 | F29-N35 HydrophobicContact CD1-CB 4.41Å; F29-N35 HydrophobicContact CD2-CB 4.32Å; F29-N35 VanDerWaalsContact CD2-ND2 3.34Å; F29-N35 WeakPolarHBondContact CD2-ND2 3.45Å; F29-N35 HydrophobicContact CE1-CB 3.97Å; F29-N35 HydrophobicContact CE2-CB 3.85Å; F29-N35 VanDerWaalsContact CE2-CG 3.42Å; F29-N35 HydrophobicContact CZ-CB 3.67Å; F29-N35 PolarHBondContact O-ND2 3.31Å; D32-N35 WeakPolarHBondContact O-CB 3.34Å; D32-N35 PolarHBondContact O-N 3.38Å; K33-N35 VanDerWaalsContact C-N 3.27Å; K33-N35 PolarHBondContact O-N 3.13Å; N35-R86 WeakPolarHBondContact O-CD 3.26Å; N35-R86 PolarHBondContact O-NH1 3.33Å |
| 36 | L | 97 | Very high | 95.8 | Very high | 4 Ų | 4 | 72.8 Ų | 72.8 | 2% | 0.021 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 2.2 | -176.5 | -51 | -168 | 0 | 0 | 0 | 114.1 | I30 K33 F34 G38 L39 Y46 L50 I83 | I30-L36 HydrophobicContact CG2-CD1 4.3Å; I30-L36 VanDerWaalsContact O-CD1 3.27Å; I30-L36 WeakPolarHBondContact O-CD1 3.39Å; K33-L36 PolarHBondContact O-N 2.86Å; F34-L36 PolarHBondContact O-N 3.15Å; L36-G38 PolarHBondContact O-N 3.23Å; L36-L39 HydrophobicContact CB-CD1 4.49Å; L36-L39 HydrophobicContact CD2-CD1 4.33Å; L36-L39 WeakPolarHBondContact O-CB 3.49Å; L36-L39 WeakPolarHBondContact O-CG 3.46Å; L36-L39 PolarHBondContact O-N 3.45Å; L36-L39 VanDerWaalsContact O-N 3.11Å; L36-Y46 WeakPolarHBondContact CB-OH 3.47Å; L36-Y46 VanDerWaalsContact CD1-OH 3.32Å; L36-Y46 WeakPolarHBondContact CD1-OH 3.34Å; L36-L50 HydrophobicContact CD1-CD1 3.96Å; L36-L50 HydrophobicContact CD1-CD2 4.06Å; L36-I83 HydrophobicContact CD2-CD1 3.74Å; L36-I83 HydrophobicContact CD2-CG1 3.7Å; L36-I83 HydrophobicContact CD2-CG2 4.36Å |
| 37 | T | 96.3 | Very high | 95.6 | Very high | 87 Ų | 87 | 79 Ų | 79 | 53% | 0.534 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | 127.5 | -174.7 | -58.2 | 0 | 0 | 0 | 0 | 112.4 | K33 F34 L39 R86 | K33-T37 PolarHBondContact O-N 3.08Å; F34-T37 WeakPolarHBondContact O-CB 3.39Å; F34-T37 PolarHBondContact O-N 3.46Å; F34-T37 PolarHBondContact O-OG1 2.89Å; T37-L39 VanDerWaalsContact C-N 3.31Å; T37-L39 PolarHBondContact O-N 2.98Å; T37-R86 PolarHBondContact O-NH1 2.89Å; T37-R86 PolarHBondContact O-NH2 3.28Å |
| 38 | G | 94.2 | Very high | 95.5 | Very high | 24 Ų | 24 | 77.4 Ų | 77.4 | 25% | 0.247 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | -3.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | L36 N40 Q42 | L36-G38 PolarHBondContact O-N 3.23Å; G38-N40 VanDerWaalsContact C-N 3.33Å; G38-Q42 PolarHBondContact O-NE2 3.09Å |
| 39 | L | 95 | Very high | 95.5 | Very high | 2 Ų | 2 | 71.3 Ų | 71.3 | 1% | 0.01 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -73.8 | -27 | 175.5 | -65.1 | -178.1 | 0 | 0 | 0 | 112.5 | L36 T37 E41 Q42 V43 Y46 L79 L82 I83 | L36-L39 HydrophobicContact CB-CD1 4.49Å; L36-L39 HydrophobicContact CD2-CD1 4.33Å; L36-L39 WeakPolarHBondContact O-CB 3.49Å; L36-L39 WeakPolarHBondContact O-CG 3.46Å; L36-L39 PolarHBondContact O-N 3.45Å; L36-L39 VanDerWaalsContact O-N 3.11Å; T37-L39 VanDerWaalsContact C-N 3.31Å; T37-L39 PolarHBondContact O-N 2.98Å; L39-E41 PolarHBondContact O-N 3.23Å; L39-Q42 PolarHBondContact O-N 3.49Å; L39-V43 PolarHBondContact O-N 2.86Å; L39-V43 VanDerWaalsContact O-N 3.1Å; L39-Y46 HydrophobicContact CB-CE2 3.94Å; L39-L79 HydrophobicContact CB-CD1 4.1Å; L39-L79 HydrophobicContact CD1-CD1 4.02Å; L39-L82 HydrophobicContact CD1-CB 4.48Å; L39-L82 HydrophobicContact CD2-CB 3.88Å; L39-L82 HydrophobicContact CD2-CD1 4.12Å; L39-I83 HydrophobicContact CD1-CG1 3.75Å |
| 40 | N | 94.8 | Very high | 95.4 | Very high | 88 Ų | 88 | 71.3 Ų | 71.3 | 47% | 0.471 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -62.5 | -20.2 | 177 | 64.5 | -69.5 | 0 | 0 | 0 | 114 | G38 Y46 | G38-N40 VanDerWaalsContact C-N 3.33Å; N40-Y46 HydrophobicContact CB-CD1 3.79Å; N40-Y46 HydrophobicContact CB-CD2 4.09Å; N40-Y46 HydrophobicContact CB-CE1 4.06Å; N40-Y46 HydrophobicContact CB-CE2 4.33Å; N40-Y46 HydrophobicContact CB-CG 3.81Å |
| 41 | E | 94.9 | Very high | 95.3 | Very high | 168 Ų | 168 | 72.9 Ų | 72.9 | 79% | 0.785 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -89.1 | -15.5 | 176.2 | -61.4 | -178 | 176.5 | 0 | 0 | 112.5 | L39 | L39-E41 PolarHBondContact O-N 3.23Š|
| 42 | Q | 91.8 | Very high | 95.2 | Very high | 95 Ų | 95 | 69.6 Ų | 69.6 | 44% | 0.444 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -31.2 | -174.8 | -64.4 | 179.7 | 56.7 | 0 | 0 | 112.6 | G38 L39 L82 | G38-Q42 PolarHBondContact O-NE2 3.09Å; L39-Q42 PolarHBondContact O-N 3.49Å; Q42-L82 HydrophobicContact CB-CD1 4.47Å |
| 43 | V | 94.7 | Very high | 95.2 | Very high | 7 Ų | 7 | 65.8 Ų | 65.8 | 4% | 0.042 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -105 | 126.3 | -175.1 | -174.4 | 0 | 0 | 0 | 0 | 110.5 | L39 Y46 A75 M78 L79 L82 | L39-V43 PolarHBondContact O-N 2.86Å; L39-V43 VanDerWaalsContact O-N 3.1Å; V43-Y46 HydrophobicContact CB-CD2 4.47Å; V43-A75 HydrophobicContact CG1-CB 3.99Å; V43-A75 WeakPolarHBondContact CG1-O 3.29Å; V43-M78 HydrophobicContact CG2-CE 4.48Å; V43-M78 HydrophobicContact CG2-CG 4.45Å; V43-L79 HydrophobicContact CG1-CB 4.02Å; V43-L79 HydrophobicContact CG2-CB 4.13Å; V43-L79 HydrophobicContact CG2-CD1 4.03Å; V43-L82 HydrophobicContact CG2-CD1 3.84Å |
| 44 | P | 93.1 | Very high | 95.3 | Very high | 78 Ų | 78 | 58.9 Ų | 58.9 | 51% | 0.506 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 149.1 | 172.9 | 30 | -34.7 | 0 | 0 | 0 | 110.6 | Y46 A75 | P44-Y46 PolarHBondContact O-N 3.13Å; P44-A75 HydrophobicContact CG-CB 4.27Å; P44-A75 VanDerWaalsContact O-CB 3.25Å; P44-A75 WeakPolarHBondContact O-CB 3.42Å |
| 45 | Q | 92.4 | Very high | 95.2 | Very high | 66 Ų | 66 | 55.5 Ų | 55.5 | 31% | 0.308 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 31.3 | 177.6 | -52.1 | -176.1 | 59.6 | 0 | 0 | 113.7 | R47 L48 A49 | Q45-R47 PolarHBondContact O-N 3.18Å; Q45-L48 PolarHBondContact O-N 3.25Å; Q45-A49 PolarHBondContact O-N 3.32Å |
| 46 | Y | 95.3 | Very high | 95.1 | Very high | 49 Ų | 49 | 57.7 Ų | 57.7 | 19% | 0.192 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -42.7 | -44.3 | -172.2 | 173.3 | -96.2 | 0 | 0 | 0 | 114.8 | L36 L39 N40 V43 P44 L50 L79 | L36-Y46 WeakPolarHBondContact CB-OH 3.47Å; L36-Y46 VanDerWaalsContact CD1-OH 3.32Å; L36-Y46 WeakPolarHBondContact CD1-OH 3.34Å; L39-Y46 HydrophobicContact CB-CE2 3.94Å; N40-Y46 HydrophobicContact CB-CD1 3.79Å; N40-Y46 HydrophobicContact CB-CD2 4.09Å; N40-Y46 HydrophobicContact CB-CE1 4.06Å; N40-Y46 HydrophobicContact CB-CE2 4.33Å; N40-Y46 HydrophobicContact CB-CG 3.81Å; V43-Y46 HydrophobicContact CB-CD2 4.47Å; P44-Y46 PolarHBondContact O-N 3.13Å; Y46-L50 HydrophobicContact CE1-CD2 4.15Å; Y46-L50 VanDerWaalsContact O-CB 3.29Å; Y46-L50 WeakPolarHBondContact O-CB 3.45Å; Y46-L50 PolarHBondContact O-N 3.2Å; Y46-L79 HydrophobicContact CD2-CD1 3.92Å; Y46-L79 HydrophobicContact CD2-CD2 3.94Å; Y46-L79 HydrophobicContact CE2-CD1 3.61Å; Y46-L79 HydrophobicContact CE2-CD2 3.95Å; Y46-L79 HydrophobicContact CE2-CG 4.47Å |
| 47 | R | 95 | Very high | 94.5 | Very high | 179 Ų | 179 | 66 Ų | 66 | 68% | 0.675 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63.4 | -51.3 | -180 | -179.6 | 175.7 | 173.8 | 170.8 | -4.8 | 111.8 | Q45 A49 L50 D51 | Q45-R47 PolarHBondContact O-N 3.18Å; R47-A49 VanDerWaalsContact C-N 3.3Å; R47-A49 PolarHBondContact O-N 2.89Å; R47-L50 PolarHBondContact O-N 3.17Å; R47-D51 WeakPolarHBondContact CG-OD2 3.2Å; R47-D51 IonicContact NE-OD2 3.68Å; R47-D51 WeakPolarHBondContact O-CB 3.17Å; R47-D51 PolarHBondContact O-N 2.86Å |
| 48 | L | 94.2 | Very high | 93.6 | Very high | 47 Ų | 47 | 65.5 Ų | 65.5 | 25% | 0.246 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.5 | -38.2 | -179.7 | -59.5 | 179.1 | 0 | 0 | 0 | 111.4 | Q45 D51 M52 L62 I72 | Q45-L48 PolarHBondContact O-N 3.25Å; L48-D51 PolarHBondContact O-N 2.76Å; L48-M52 WeakPolarHBondContact O-CB 3.22Å; L48-M52 PolarHBondContact O-N 2.95Å; L48-L62 HydrophobicContact CD1-CD1 4.23Å; L48-L62 HydrophobicContact CD1-CD2 4.23Å; L48-L62 HydrophobicContact CD2-CD1 3.59Å; L48-I72 HydrophobicContact CB-CD1 4.2Å; L48-I72 HydrophobicContact CB-CG1 4.18Å; L48-I72 HydrophobicContact CB-CG2 3.99Å; L48-I72 HydrophobicContact CD1-CD1 3.77Å; L48-I72 HydrophobicContact CD1-CG1 4.21Å |
| 49 | A | 96.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q45 R47 I53 A75 A76 L79 | Q45-A49 PolarHBondContact O-N 3.32Å; R47-A49 VanDerWaalsContact C-N 3.3Å; R47-A49 PolarHBondContact O-N 2.89Å; A49-I53 VanDerWaalsContact O-CG1 3.29Å; A49-I53 WeakPolarHBondContact O-CG1 3.44Å; A49-I53 PolarHBondContact O-N 2.88Å; A49-I53 VanDerWaalsContact O-N 3.09Å; A49-A75 HydrophobicContact CB-CB 3.81Å; A49-A76 HydrophobicContact CB-CB 4.33Å; A49-L79 HydrophobicContact CB-CD2 4.01Å |
| 50 | L | 97.2 | Very high | 91.4 | Very high | 27 Ų | 27 | 77.2 Ų | 77.2 | 14% | 0.141 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -68.7 | -42.4 | 177.9 | -176.2 | 62.3 | 0 | 0 | 0 | 112 | I30 L36 Y46 R47 M52 I53 L54 L79 | I30-L50 HydrophobicContact CG2-CD1 3.63Å; L36-L50 HydrophobicContact CD1-CD1 3.96Å; L36-L50 HydrophobicContact CD1-CD2 4.06Å; Y46-L50 HydrophobicContact CE1-CD2 4.15Å; Y46-L50 VanDerWaalsContact O-CB 3.29Å; Y46-L50 WeakPolarHBondContact O-CB 3.45Å; Y46-L50 PolarHBondContact O-N 3.2Å; R47-L50 PolarHBondContact O-N 3.17Å; L50-M52 VanDerWaalsContact C-N 3.28Å; L50-M52 PolarHBondContact O-N 3.4Å; L50-I53 PolarHBondContact O-N 2.83Å; L50-L54 HydrophobicContact CD1-CD1 4.17Å; L50-L54 HydrophobicContact CD1-CG 4.44Å; L50-L54 HydrophobicContact CG-CD1 4.15Å; L50-L54 PolarHBondContact O-N 3.41Å; L50-L54 VanDerWaalsContact O-N 3.08Å; L50-L79 HydrophobicContact CB-CD2 3.92Å; L50-L79 HydrophobicContact CD1-CD2 4.31Å |
| 51 | D | 95.5 | Very high | 89.8 | Confident | 35 Ų | 35 | 82 Ų | 82 | 19% | 0.187 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60.1 | -42.2 | 177.1 | -67.6 | -16 | 0 | 0 | 0 | 109.7 | R47 L48 L54 D55 I56 | R47-D51 WeakPolarHBondContact CG-OD2 3.2Å; R47-D51 IonicContact NE-OD2 3.68Å; R47-D51 WeakPolarHBondContact O-CB 3.17Å; R47-D51 PolarHBondContact O-N 2.86Å; L48-D51 PolarHBondContact O-N 2.76Å; D51-L54 CarbonylContact O-C 3.58Å; D51-L54 PolarHBondContact O-N 3.11Å; D51-D55 PolarHBondContact O-N 3.39Å; D51-I56 HydrophobicContact CB-CB 4.03Å; D51-I56 HydrophobicContact CB-CG2 4.39Å; D51-I56 WeakPolarHBondContact O-CB 3.26Å; D51-I56 PolarHBondContact O-N 3.28Å |
| 52 | M | 95.2 | Very high | 88.1 | Confident | 49 Ų | 49 | 76.3 Ų | 76.3 | 24% | 0.241 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 173.2 | 179.4 | 179.4 | -76.8 | 0 | 0 | 113.5 | L48 L50 L54 D55 I72 E73 A76 | L48-M52 WeakPolarHBondContact O-CB 3.22Å; L48-M52 PolarHBondContact O-N 2.95Å; L50-M52 VanDerWaalsContact C-N 3.28Å; L50-M52 PolarHBondContact O-N 3.4Å; M52-L54 PolarHBondContact O-N 3.28Å; M52-D55 PolarHBondContact O-N 3.34Å; M52-I72 HydrophobicContact CE-CB 4.27Å; M52-I72 HydrophobicContact CE-CG2 3.6Å; M52-I72 HydrophobicContact SD-CG2 4.18Å; M52-E73 HydrophobicContact CE-CG 3.87Å; M52-E73 HydrophobicContact SD-CG 3.98Å; M52-A76 HydrophobicContact CB-CB 4.4Å; M52-A76 HydrophobicContact CG-CB 4.24Å; M52-A76 HydrophobicContact SD-CB 3.7Å |
| 53 | I | 97.5 | Very high | 86.5 | Confident | 0 Ų | 0 | 79.3 Ų | 79.3 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.9 | -33.6 | 178.4 | -69.1 | 164.8 | 0 | 0 | 0 | 111.7 | W9 I10 I30 A49 L50 D55 A76 L79 Y80 | W9-I53 HydrophobicContact CD2-CG1 4.37Å; W9-I53 HydrophobicContact CE3-CB 4.24Å; W9-I53 HydrophobicContact CE3-CG1 3.99Å; W9-I53 HydrophobicContact CE3-CG2 4.17Å; W9-I53 HydrophobicContact CH2-CG1 4.13Å; W9-I53 HydrophobicContact CZ2-CG1 4.45Å; W9-I53 HydrophobicContact CZ3-CG1 3.89Å; W9-I53 HydrophobicContact CZ3-CG2 4.4Å; I10-I53 HydrophobicContact CD1-CG2 4.41Å; I10-I53 HydrophobicContact CG1-CG2 4.19Å; I30-I53 HydrophobicContact CD1-CG2 4.05Å; A49-I53 VanDerWaalsContact O-CG1 3.29Å; A49-I53 WeakPolarHBondContact O-CG1 3.44Å; A49-I53 PolarHBondContact O-N 2.88Å; A49-I53 VanDerWaalsContact O-N 3.09Å; L50-I53 PolarHBondContact O-N 2.83Å; I53-D55 VanDerWaalsContact C-N 3.33Å; I53-A76 HydrophobicContact CD1-CB 4.47Å; I53-A76 WeakPolarHBondContact CD1-O 3.24Å; I53-A76 HydrophobicContact CG1-CB 4.05Å; I53-L79 HydrophobicContact CD1-CB 3.92Å; I53-L79 HydrophobicContact CD1-CD2 3.84Å; I53-L79 HydrophobicContact CD1-CG 3.78Å; I53-Y80 HydrophobicContact CG2-CD2 4.11Å |
| 54 | L | 97.1 | Very high | 85.1 | Confident | 32 Ų | 32 | 87.6 Ų | 87.6 | 17% | 0.168 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 13.1 | -178.9 | -67.5 | 176.8 | 0 | 0 | 0 | 113.1 | E27 I30 Q31 L50 D51 M52 I56 | E27-L54 HydrophobicContact CG-CD2 4.45Å; I30-L54 HydrophobicContact CB-CD2 4.12Å; I30-L54 HydrophobicContact CG2-CD1 4.27Å; I30-L54 HydrophobicContact CG2-CD2 3.8Å; I30-L54 HydrophobicContact CG2-CG 4.17Å; Q31-L54 HydrophobicContact CG-CD2 4.48Å; L50-L54 HydrophobicContact CD1-CD1 4.17Å; L50-L54 HydrophobicContact CD1-CG 4.44Å; L50-L54 HydrophobicContact CG-CD1 4.15Å; L50-L54 PolarHBondContact O-N 3.41Å; L50-L54 VanDerWaalsContact O-N 3.08Å; D51-L54 CarbonylContact O-C 3.58Å; D51-L54 PolarHBondContact O-N 3.11Å; M52-L54 PolarHBondContact O-N 3.28Å; L54-I56 HydrophobicContact CB-CD1 4.03Å; L54-I56 HydrophobicContact CB-CG1 3.98Å; L54-I56 HydrophobicContact CD1-CD1 4.37Å; L54-I56 PolarHBondContact O-N 3.18Å; L54-I56 VanDerWaalsContact O-N 3.14Å |
| 55 | D | 95.3 | Very high | 84.1 | Confident | 89 Ų | 89 | 87.5 Ų | 87.5 | 48% | 0.476 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 35.6 | -178.8 | -64.3 | -59.7 | 0 | 0 | 0 | 113.1 | S8 W9 D51 M52 I53 | S8-D55 WeakPolarHBondContact CA-OD2 3.3Å; S8-D55 WeakPolarHBondContact CB-OD2 3.43Å; W9-D55 WeakPolarHBondContact CB-OD1 3.42Å; W9-D55 PolarHBondContact N-OD1 3.5Å; W9-D55 PolarHBondContact N-OD2 2.81Å; D51-D55 PolarHBondContact O-N 3.39Å; M52-D55 PolarHBondContact O-N 3.34Å; I53-D55 VanDerWaalsContact C-N 3.33Å |
| 56 | I | 93.5 | Very high | 83.4 | Confident | 85 Ų | 85 | 88.9 Ų | 88.9 | 44% | 0.436 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -85.5 | 123.4 | 175.4 | -59.8 | 176.2 | 0 | 0 | 0 | 108.6 | D51 L54 | D51-I56 HydrophobicContact CB-CB 4.03Å; D51-I56 HydrophobicContact CB-CG2 4.39Å; D51-I56 WeakPolarHBondContact O-CB 3.26Å; D51-I56 PolarHBondContact O-N 3.28Å; L54-I56 HydrophobicContact CB-CD1 4.03Å; L54-I56 HydrophobicContact CB-CG1 3.98Å; L54-I56 HydrophobicContact CD1-CD1 4.37Å; L54-I56 PolarHBondContact O-N 3.18Å; L54-I56 VanDerWaalsContact O-N 3.14Å |
| 57 | E | 84.7 | Confident | 82.7 | Confident | 180 Ų | 180 | 91 Ų | 91 | 84% | 0.841 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 130 | 177.6 | -73.1 | -176.6 | 163.6 | 0 | 0 | 111.1 | ||
| 58 | P | 78.2 | Confident | 82.2 | Confident | 75 Ų | 75 | 85.4 Ų | 85.4 | 49% | 0.487 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 149.8 | 174.7 | 28.6 | -32.8 | 0 | 0 | 0 | 110.6 | D60 L62 | P58-D60 PolarHBondContact O-N 3.05Å; P58-L62 HydrophobicContact CB-CB 4.49Å; P58-L62 HydrophobicContact CB-CD1 3.95Å |
| 59 | D | 73.4 | Confident | 81.8 | Confident | 127 Ų | 127 | 85.7 Ų | 85.7 | 68% | 0.679 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 136.1 | 169.9 | -65.5 | -47 | 0 | 0 | 0 | 109.6 | E61 L62 | D59-E61 PolarHBondContact O-N 2.91Å; D59-L62 PolarHBondContact O-N 2.91Å; D59-L62 VanDerWaalsContact O-N 3.17Å |
| 60 | D | 69 | Low | 81.6 | Confident | 146 Ų | 146 | 89.8 Ų | 89.8 | 78% | 0.781 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -46.4 | -19.4 | -170.3 | -67.7 | -39.2 | 0 | 0 | 0 | 116 | P58 L62 | P58-D60 PolarHBondContact O-N 3.05Å; D60-L62 VanDerWaalsContact C-N 3.3Å; D60-L62 PolarHBondContact O-N 3.18Å |
| 61 | E | 60.8 | Low | 81.3 | Confident | 187 Ų | 187 | 92.7 Ų | 92.7 | 87% | 0.874 | 49% | 0.485 | S | S | * | . | G | 310 helix | trans | -74 | -13.8 | -177.8 | -66.3 | -172.1 | 166.7 | 0 | 0 | 114.4 | D59 | D59-E61 PolarHBondContact O-N 2.91Š|
| 62 | L | 59.7 | Low | 81.2 | Confident | 49 Ų | 49 | 91.8 Ų | 91.8 | 26% | 0.257 | 48% | 0.48 | S | S | . | . | G | 310 helix | trans | -88.4 | -17.6 | -173.4 | -70.7 | 167.3 | 0 | 0 | 0 | 114.7 | L48 P58 D59 D60 E64 | L48-L62 HydrophobicContact CD1-CD1 4.23Å; L48-L62 HydrophobicContact CD1-CD2 4.23Å; L48-L62 HydrophobicContact CD2-CD1 3.59Å; P58-L62 HydrophobicContact CB-CB 4.49Å; P58-L62 HydrophobicContact CB-CD1 3.95Å; D59-L62 PolarHBondContact O-N 2.91Å; D59-L62 VanDerWaalsContact O-N 3.17Å; D60-L62 VanDerWaalsContact C-N 3.3Å; D60-L62 PolarHBondContact O-N 3.18Å; L62-E64 PolarHBondContact O-N 3.44Å; L62-E64 VanDerWaalsContact O-N 3.16Å |
| 63 | E | 59.4 | Low | 81.2 | Confident | 158 Ų | 158 | 93.5 Ų | 93.5 | 74% | 0.738 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -15.2 | -170.4 | -65.9 | -166.3 | 155.7 | 0 | 0 | 114.2 | N65 | E63-N65 PolarHBondContact O-N 2.97Š|
| 64 | E | 63.9 | Low | 81.1 | Confident | 182 Ų | 182 | 99.4 Ų | 99.4 | 85% | 0.85 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -10.2 | -167.4 | -64.4 | -167.5 | 164.3 | 0 | 0 | 115.6 | L62 | L62-E64 PolarHBondContact O-N 3.44Å; L62-E64 VanDerWaalsContact O-N 3.16Å |
| 65 | N | 72.7 | Confident | 81 | Confident | 75 Ų | 75 | 98 Ų | 98 | 40% | 0.401 | 51% | 0.508 | S | S | . | . | trans | -122.5 | 100.7 | -176 | -168.5 | -8.1 | 0 | 0 | 0 | 114 | E63 T67 Q68 S69 | E63-N65 PolarHBondContact O-N 2.97Å; N65-T67 VanDerWaalsContact C-N 3.26Å; N65-T67 PolarHBondContact O-N 2.86Å; N65-T67 VanDerWaalsContact O-N 3.15Å; N65-T67 PolarHBondContact OD1-N 3.03Å; N65-T67 PolarHBondContact OD1-OG1 3.11Å; N65-Q68 HydrophobicContact CB-CB 4.14Å; N65-Q68 WeakPolarHBondContact O-CB 3.47Å; N65-Q68 PolarHBondContact O-N 3.5Å; N65-S69 PolarHBondContact O-N 3.34Å | ||
| 66 | P | 77.8 | Confident | 81.2 | Confident | 95 Ų | 95 | 93.7 Ų | 93.7 | 62% | 0.617 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -54.7 | -38.7 | -178.8 | -25.8 | 32.7 | 0 | 0 | 0 | 114 | Q68 S69 D70 | P66-Q68 PolarHBondContact O-N 3.25Å; P66-S69 WeakPolarHBondContact O-CB 3.47Å; P66-S69 PolarHBondContact O-N 3.1Å; P66-D70 PolarHBondContact O-N 3.25Å |
| 67 | T | 81 | Confident | 81.4 | Confident | 94 Ų | 94 | 93.4 Ų | 93.4 | 58% | 0.577 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.7 | -29.7 | 179.9 | -20.3 | 0 | 0 | 0 | 0 | 112.8 | N65 L71 | N65-T67 VanDerWaalsContact C-N 3.26Å; N65-T67 PolarHBondContact O-N 2.86Å; N65-T67 VanDerWaalsContact O-N 3.15Å; N65-T67 PolarHBondContact OD1-N 3.03Å; N65-T67 PolarHBondContact OD1-OG1 3.11Å; T67-L71 WeakPolarHBondContact O-CG 3.26Å |
| 68 | Q | 84.6 | Confident | 81.9 | Confident | 62 Ų | 62 | 87 Ų | 87 | 29% | 0.29 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -77.7 | -37 | 179.2 | -168.2 | 173.4 | -26.8 | 0 | 0 | 110.7 | N65 P66 L71 I72 | N65-Q68 HydrophobicContact CB-CB 4.14Å; N65-Q68 WeakPolarHBondContact O-CB 3.47Å; N65-Q68 PolarHBondContact O-N 3.5Å; P66-Q68 PolarHBondContact O-N 3.25Å; Q68-L71 PolarHBondContact O-N 3.42Å; Q68-I72 HydrophobicContact CG-CD1 4.18Å; Q68-I72 VanDerWaalsContact O-CG1 3.31Å; Q68-I72 WeakPolarHBondContact O-CG1 3.28Å; Q68-I72 PolarHBondContact O-N 3.07Å |
| 69 | S | 85.8 | Confident | 82.9 | Confident | 52 Ų | 52 | 83.4 Ų | 83.4 | 36% | 0.364 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -56.8 | -51.4 | 174.2 | -163.2 | 0 | 0 | 0 | 0 | 111.6 | N65 P66 L71 I72 E73 | N65-S69 PolarHBondContact O-N 3.34Å; P66-S69 WeakPolarHBondContact O-CB 3.47Å; P66-S69 PolarHBondContact O-N 3.1Å; S69-L71 PolarHBondContact O-N 3.45Å; S69-I72 PolarHBondContact O-N 3.46Å; S69-E73 PolarHBondContact O-N 3.46Å |
| 70 | D | 90.5 | Very high | 84.1 | Confident | 87 Ų | 87 | 77.3 Ų | 77.3 | 47% | 0.465 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -58.3 | -34.3 | -179.8 | -68.7 | -10.1 | 0 | 0 | 0 | 112.8 | P66 Q74 | P66-D70 PolarHBondContact O-N 3.25Å; D70-Q74 WeakPolarHBondContact O-CG 3.19Å; D70-Q74 PolarHBondContact O-N 3.33Å; D70-Q74 PolarHBondContact O-NE2 2.85Å; D70-Q74 VanDerWaalsContact O-NE2 3.13Å |
| 71 | L | 92.3 | Very high | 85.5 | Confident | 88 Ų | 88 | 70.4 Ų | 70.4 | 46% | 0.461 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -75.1 | -33.7 | 178 | -69.7 | 171.9 | 0 | 0 | 0 | 112.2 | T67 Q68 S69 A75 | T67-L71 WeakPolarHBondContact O-CG 3.26Å; Q68-L71 PolarHBondContact O-N 3.42Å; S69-L71 PolarHBondContact O-N 3.45Å; L71-A75 WeakPolarHBondContact O-CB 3.32Å; L71-A75 PolarHBondContact O-N 3.44Å; L71-A75 VanDerWaalsContact O-N 3.07Å |
| 72 | I | 93.6 | Very high | 87.2 | Confident | 16 Ų | 16 | 62 Ų | 62 | 8% | 0.082 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -70.1 | -42.6 | 175.3 | -64.3 | 163 | 0 | 0 | 0 | 109.6 | L48 M52 Q68 S69 Q74 A75 A76 | L48-I72 HydrophobicContact CB-CD1 4.2Å; L48-I72 HydrophobicContact CB-CG1 4.18Å; L48-I72 HydrophobicContact CB-CG2 3.99Å; L48-I72 HydrophobicContact CD1-CD1 3.77Å; L48-I72 HydrophobicContact CD1-CG1 4.21Å; M52-I72 HydrophobicContact CE-CB 4.27Å; M52-I72 HydrophobicContact CE-CG2 3.6Å; M52-I72 HydrophobicContact SD-CG2 4.18Å; Q68-I72 HydrophobicContact CG-CD1 4.18Å; Q68-I72 VanDerWaalsContact O-CG1 3.31Å; Q68-I72 WeakPolarHBondContact O-CG1 3.28Å; Q68-I72 PolarHBondContact O-N 3.07Å; S69-I72 PolarHBondContact O-N 3.46Å; I72-Q74 PolarHBondContact O-N 2.99Å; I72-A75 CarbonylContact O-C 3.59Å; I72-A75 WeakPolarHBondContact O-CB 3.46Å; I72-A75 PolarHBondContact O-N 3.38Å; I72-A75 VanDerWaalsContact O-N 3.16Å; I72-A76 WeakPolarHBondContact O-CB 3.43Å; I72-A76 PolarHBondContact O-N 3.25Å |
| 73 | E | 94 | Very high | 89.1 | Confident | 85 Ų | 85 | 59.7 Ų | 59.7 | 40% | 0.397 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.4 | -49.8 | 176.1 | -72.6 | 177.2 | -159.6 | 0 | 0 | 111.3 | M52 S69 A75 A76 E77 | M52-E73 HydrophobicContact CE-CG 3.87Å; M52-E73 HydrophobicContact SD-CG 3.98Å; S69-E73 PolarHBondContact O-N 3.46Å; E73-A75 VanDerWaalsContact C-N 3.27Å; E73-A75 PolarHBondContact O-N 2.8Å; E73-A76 WeakPolarHBondContact O-CB 3.45Å; E73-A76 PolarHBondContact O-N 2.89Å; E73-A76 VanDerWaalsContact O-N 3.1Å; E73-E77 WeakPolarHBondContact O-CG 3.31Å; E73-E77 PolarHBondContact O-N 3.41Å |
| 74 | Q | 95.1 | Very high | 90.9 | Very high | 123 Ų | 123 | 52.1 Ų | 52.1 | 58% | 0.575 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -60.4 | -37.4 | 175.8 | -73.9 | 169.4 | 57 | 0 | 0 | 112.6 | D70 I72 M78 | D70-Q74 WeakPolarHBondContact O-CG 3.19Å; D70-Q74 PolarHBondContact O-N 3.33Å; D70-Q74 PolarHBondContact O-NE2 2.85Å; D70-Q74 VanDerWaalsContact O-NE2 3.13Å; I72-Q74 PolarHBondContact O-N 2.99Å; Q74-M78 WeakPolarHBondContact O-CB 3.46Å; Q74-M78 PolarHBondContact O-N 2.82Å |
| 75 | A | 96.7 | Very high | 92.6 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 2% | 0.017 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.8 | -37.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V43 P44 A49 L71 I72 E73 M78 L79 | V43-A75 HydrophobicContact CG1-CB 3.99Å; V43-A75 WeakPolarHBondContact CG1-O 3.29Å; P44-A75 HydrophobicContact CG-CB 4.27Å; P44-A75 VanDerWaalsContact O-CB 3.25Å; P44-A75 WeakPolarHBondContact O-CB 3.42Å; A49-A75 HydrophobicContact CB-CB 3.81Å; L71-A75 WeakPolarHBondContact O-CB 3.32Å; L71-A75 PolarHBondContact O-N 3.44Å; L71-A75 VanDerWaalsContact O-N 3.07Å; I72-A75 CarbonylContact O-C 3.59Å; I72-A75 WeakPolarHBondContact O-CB 3.46Å; I72-A75 PolarHBondContact O-N 3.38Å; I72-A75 VanDerWaalsContact O-N 3.16Å; E73-A75 VanDerWaalsContact C-N 3.27Å; E73-A75 PolarHBondContact O-N 2.8Å; A75-M78 PolarHBondContact O-N 3.38Å; A75-L79 WeakPolarHBondContact O-CB 3.29Å; A75-L79 PolarHBondContact O-N 3.38Å |
| 76 | A | 97.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.2 | -45.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | W9 A49 M52 I53 I72 E73 M78 L79 Y80 | W9-A76 HydrophobicContact CH2-CB 4.48Å; W9-A76 HydrophobicContact CZ2-CB 3.84Å; A49-A76 HydrophobicContact CB-CB 4.33Å; M52-A76 HydrophobicContact CB-CB 4.4Å; M52-A76 HydrophobicContact CG-CB 4.24Å; M52-A76 HydrophobicContact SD-CB 3.7Å; I53-A76 HydrophobicContact CD1-CB 4.47Å; I53-A76 WeakPolarHBondContact CD1-O 3.24Å; I53-A76 HydrophobicContact CG1-CB 4.05Å; I72-A76 WeakPolarHBondContact O-CB 3.43Å; I72-A76 PolarHBondContact O-N 3.25Å; E73-A76 WeakPolarHBondContact O-CB 3.45Å; E73-A76 PolarHBondContact O-N 2.89Å; E73-A76 VanDerWaalsContact O-N 3.1Å; A76-M78 PolarHBondContact O-N 3.13Å; A76-L79 PolarHBondContact O-N 3.07Å; A76-Y80 VanDerWaalsContact O-CB 3.32Å; A76-Y80 WeakPolarHBondContact O-CB 3.49Å; A76-Y80 PolarHBondContact O-N 3.21Å |
| 77 | E | 97.8 | Very high | 94.7 | Very high | 79 Ų | 79 | 40 Ų | 40 | 37% | 0.369 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.3 | -46.2 | 175 | -64 | -171.4 | 172.6 | 0 | 0 | 111.9 | W9 F13 E73 G81 | W9-E77 HydrophobicContact CZ2-CG 4.47Å; F13-E77 HydrophobicContact CD2-CG 4.18Å; F13-E77 HydrophobicContact CE2-CB 4.02Å; F13-E77 HydrophobicContact CE2-CG 3.66Å; E73-E77 WeakPolarHBondContact O-CG 3.31Å; E73-E77 PolarHBondContact O-N 3.41Å; E77-G81 PolarHBondContact O-N 2.95Å |
| 78 | M | 96.9 | Very high | 95.6 | Very high | 44 Ų | 44 | 35.5 Ų | 35.5 | 22% | 0.217 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.1 | -45.8 | 177.6 | -179.3 | -177.6 | 173.9 | 0 | 0 | 111.8 | V43 Q74 A75 A76 G81 L82 P146 Y176 | V43-M78 HydrophobicContact CG2-CE 4.48Å; V43-M78 HydrophobicContact CG2-CG 4.45Å; Q74-M78 WeakPolarHBondContact O-CB 3.46Å; Q74-M78 PolarHBondContact O-N 2.82Å; A75-M78 PolarHBondContact O-N 3.38Å; A76-M78 PolarHBondContact O-N 3.13Å; M78-G81 PolarHBondContact O-N 3.25Å; M78-L82 HydrophobicContact CE-CD1 4.22Å; M78-L82 HydrophobicContact CG-CD1 4.42Å; M78-L82 WeakPolarHBondContact O-CG 3.4Å; M78-L82 PolarHBondContact O-N 2.97Å; M78-P146 HydrophobicContact CE-CB 4.17Å; M78-P146 HydrophobicContact CE-CG 4.05Å; M78-Y176 WeakPolarHBondContact CA-OH 3.49Å |
| 79 | L | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.6 | -48.6 | 178.9 | 178.4 | 55.3 | 0 | 0 | 0 | 111.1 | L39 V43 Y46 A49 L50 I53 A75 A76 G81 L82 I83 | L39-L79 HydrophobicContact CB-CD1 4.1Å; L39-L79 HydrophobicContact CD1-CD1 4.02Å; V43-L79 HydrophobicContact CG1-CB 4.02Å; V43-L79 HydrophobicContact CG2-CB 4.13Å; V43-L79 HydrophobicContact CG2-CD1 4.03Å; Y46-L79 HydrophobicContact CD2-CD1 3.92Å; Y46-L79 HydrophobicContact CD2-CD2 3.94Å; Y46-L79 HydrophobicContact CE2-CD1 3.61Å; Y46-L79 HydrophobicContact CE2-CD2 3.95Å; Y46-L79 HydrophobicContact CE2-CG 4.47Å; A49-L79 HydrophobicContact CB-CD2 4.01Å; L50-L79 HydrophobicContact CB-CD2 3.92Å; L50-L79 HydrophobicContact CD1-CD2 4.31Å; I53-L79 HydrophobicContact CD1-CB 3.92Å; I53-L79 HydrophobicContact CD1-CD2 3.84Å; I53-L79 HydrophobicContact CD1-CG 3.78Å; A75-L79 WeakPolarHBondContact O-CB 3.29Å; A75-L79 PolarHBondContact O-N 3.38Å; A76-L79 PolarHBondContact O-N 3.07Å; L79-G81 VanDerWaalsContact C-N 3.29Å; L79-G81 PolarHBondContact O-N 3.01Å; L79-L82 PolarHBondContact O-N 3.11Å; L79-L82 VanDerWaalsContact O-N 3.13Å; L79-I83 HydrophobicContact CD1-CD1 3.94Å; L79-I83 HydrophobicContact CD1-CG1 4.1Å; L79-I83 HydrophobicContact CG-CD1 3.85Å; L79-I83 HydrophobicContact CG-CG1 4.42Å; L79-I83 VanDerWaalsContact O-CG1 3.28Å; L79-I83 WeakPolarHBondContact O-CG1 3.48Å; L79-I83 PolarHBondContact O-N 3.47Å |
| 80 | Y | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.9 | -43 | 178 | -176.1 | -101.4 | 0 | 0 | 0 | 111.3 | W9 I10 F13 C14 F22 C23 V25 I53 A76 L82 I83 H84 | W9-Y80 HydrophobicContact CH2-CG 4.08Å; W9-Y80 HydrophobicContact CZ3-CD1 4.13Å; W9-Y80 AromaticContact CZ3-CD2 3.78Å; W9-Y80 HydrophobicContact CZ3-CD2 3.78Å; W9-Y80 HydrophobicContact CZ3-CE2 4.49Å; W9-Y80 AromaticContact CZ3-CG 3.57Å; W9-Y80 HydrophobicContact CZ3-CG 3.57Å; I10-Y80 HydrophobicContact CB-CE2 4.44Å; I10-Y80 HydrophobicContact CD1-CE2 4.31Å; I10-Y80 HydrophobicContact CG1-CE2 3.96Å; I10-Y80 HydrophobicContact CG2-CE2 3.94Å; I10-Y80 WeakPolarHBondContact CG2-OH 3.47Å; F13-Y80 AromaticContact CD1-CD1 3.49Å; F13-Y80 HydrophobicContact CD1-CD1 3.49Å; F13-Y80 VanDerWaalsContact CD1-CD1 3.49Å; F13-Y80 AromaticContact CD1-CE1 3.58Å; F13-Y80 HydrophobicContact CD1-CE1 3.58Å; F13-Y80 HydrophobicContact CD1-CG 4.46Å; F13-Y80 AromaticContact CE1-CD1 3.45Å; F13-Y80 HydrophobicContact CE1-CD1 3.45Å; F13-Y80 VanDerWaalsContact CE1-CD1 3.45Å; F13-Y80 AromaticContact CE1-CE1 3.78Å; F13-Y80 HydrophobicContact CE1-CE1 3.78Å; F13-Y80 HydrophobicContact CG-CD1 4.44Å; F13-Y80 HydrophobicContact CZ-CD1 4.36Å; C14-Y80 PolarHBondContact SG-OH 3.4Å; C14-Y80 VanDerWaalsContact SG-OH 3.4Å; F22-Y80 HydrophobicContact CD1-CE1 4.24Å; C23-Y80 PolarHBondContact O-OH 3.15Å; V25-Y80 HydrophobicContact CB-CE2 4Å; V25-Y80 HydrophobicContact CG2-CE2 3.89Å; V25-Y80 PolarHBondContact N-OH 2.69Å; V25-Y80 VanDerWaalsContact N-OH 3.13Å; I53-Y80 HydrophobicContact CG2-CD2 4.11Å; A76-Y80 VanDerWaalsContact O-CB 3.32Å; A76-Y80 WeakPolarHBondContact O-CB 3.49Å; A76-Y80 PolarHBondContact O-N 3.21Å; Y80-L82 PolarHBondContact O-N 2.92Å; Y80-I83 PolarHBondContact O-N 3.39Å; Y80-H84 VanDerWaalsContact O-CB 3.26Å; Y80-H84 WeakPolarHBondContact O-CB 3.3Å; Y80-H84 PolarHBondContact O-N 3.42Å |
| 81 | G | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.6 | -44.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E77 M78 L79 H84 A85 Y176 | E77-G81 PolarHBondContact O-N 2.95Å; M78-G81 PolarHBondContact O-N 3.25Å; L79-G81 VanDerWaalsContact C-N 3.29Å; L79-G81 PolarHBondContact O-N 3.01Å; G81-H84 WeakPolarHBondContact O-CB 3.41Å; G81-H84 PolarHBondContact O-N 3.16Å; G81-A85 PolarHBondContact O-N 3.46Å; G81-Y176 VanDerWaalsContact C-CD1 3.41Å; G81-Y176 VanDerWaalsContact CA-CD1 3.47Å; G81-Y176 VanDerWaalsContact O-CA 3.24Å; G81-Y176 WeakPolarHBondContact O-CA 3.32Å; G81-Y176 WeakPolarHBondContact O-CB 3.45Å |
| 82 | L | 97.4 | Very high | 97.5 | Very high | 11 Ų | 11 | 37.8 Ų | 37.8 | 6% | 0.058 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.8 | -35.8 | 177.3 | -69.6 | 176.3 | 0 | 0 | 0 | 113.2 | L39 Q42 V43 M78 L79 Y80 R86 P146 Y176 | L39-L82 HydrophobicContact CD1-CB 4.48Å; L39-L82 HydrophobicContact CD2-CB 3.88Å; L39-L82 HydrophobicContact CD2-CD1 4.12Å; Q42-L82 HydrophobicContact CB-CD1 4.47Å; V43-L82 HydrophobicContact CG2-CD1 3.84Å; M78-L82 HydrophobicContact CE-CD1 4.22Å; M78-L82 HydrophobicContact CG-CD1 4.42Å; M78-L82 WeakPolarHBondContact O-CG 3.4Å; M78-L82 PolarHBondContact O-N 2.97Å; L79-L82 PolarHBondContact O-N 3.11Å; L79-L82 VanDerWaalsContact O-N 3.13Å; Y80-L82 PolarHBondContact O-N 2.92Å; L82-R86 PolarHBondContact O-N 3.02Å; L82-P146 HydrophobicContact CD2-CG 3.78Å; L82-P146 HydrophobicContact CG-CG 4.47Å; L82-Y176 HydrophobicContact CD2-CD1 4.48Å; L82-Y176 HydrophobicContact CG-CE1 4.41Å |
| 83 | I | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.1 | -47.6 | 172.7 | -68.7 | 174.8 | 0 | 0 | 0 | 109.7 | V25 F29 I30 L36 L39 L79 Y80 A85 R86 Y87 | V25-I83 HydrophobicContact CG1-CG2 4Å; F29-I83 HydrophobicContact CD1-CG2 4.29Å; F29-I83 HydrophobicContact CE1-CG2 4.16Å; I30-I83 HydrophobicContact CG1-CG2 4.09Å; I30-I83 HydrophobicContact CG2-CD1 4.28Å; L36-I83 HydrophobicContact CD2-CD1 3.74Å; L36-I83 HydrophobicContact CD2-CG1 3.7Å; L36-I83 HydrophobicContact CD2-CG2 4.36Å; L39-I83 HydrophobicContact CD1-CG1 3.75Å; L79-I83 HydrophobicContact CD1-CD1 3.94Å; L79-I83 HydrophobicContact CD1-CG1 4.1Å; L79-I83 HydrophobicContact CG-CD1 3.85Å; L79-I83 HydrophobicContact CG-CG1 4.42Å; L79-I83 VanDerWaalsContact O-CG1 3.28Å; L79-I83 WeakPolarHBondContact O-CG1 3.48Å; L79-I83 PolarHBondContact O-N 3.47Å; Y80-I83 PolarHBondContact O-N 3.39Å; I83-A85 VanDerWaalsContact C-N 3.3Å; I83-A85 PolarHBondContact O-N 2.82Å; I83-R86 WeakPolarHBondContact O-CB 3.47Å; I83-R86 PolarHBondContact O-N 3.3Å; I83-Y87 WeakPolarHBondContact O-CB 3.37Å; I83-Y87 PolarHBondContact O-N 3.49Å |
| 84 | H | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -56.7 | -43.3 | 179.3 | -179.7 | -90.5 | 0 | 0 | 0 | 111.5 | F22 C23 V25 Y80 G81 R86 Y87 I88 Y176 F177 | F22-H84 HydrophobicContact CD1-CB 4.24Å; F22-H84 AromaticContact CD1-CD2 3.73Å; F22-H84 AromaticContact CD1-CE1 3.79Å; F22-H84 AromaticContact CD1-CG 3.65Å; F22-H84 AromaticContact CD1-ND1 3.69Å; F22-H84 AromaticContact CD1-NE2 3.82Å; F22-H84 HydrophobicContact CE1-CB 4.42Å; C23-H84 PolarHBondContact N-NE2 3.25Å; C23-H84 PolarHBondContact O-CD2 3.47Å; C23-H84 PolarHBondContact SG-NE2 3.36Å; C23-H84 VanDerWaalsContact SG-NE2 3.38Å; V25-H84 HydrophobicContact CG2-CB 4.19Å; Y80-H84 VanDerWaalsContact O-CB 3.26Å; Y80-H84 WeakPolarHBondContact O-CB 3.3Å; Y80-H84 PolarHBondContact O-N 3.42Å; G81-H84 WeakPolarHBondContact O-CB 3.41Å; G81-H84 PolarHBondContact O-N 3.16Å; H84-R86 VanDerWaalsContact C-N 3.25Å; H84-R86 PolarHBondContact O-N 3.16Å; H84-Y87 PolarHBondContact O-N 3.06Å; H84-Y87 VanDerWaalsContact O-N 3.11Å; H84-I88 WeakPolarHBondContact O-CG1 3.39Å; H84-I88 WeakPolarHBondContact O-CG2 3.5Å; H84-I88 PolarHBondContact O-N 3.11Å; H84-Y176 PolarHBondContact ND1-O 3.33Å; H84-F177 AromaticContact CE1-CD1 3.86Å; H84-F177 AromaticContact CE1-CE1 3.72Å |
| 85 | A | 97.8 | Very high | 98.1 | Very high | 14 Ų | 14 | 29.5 Ų | 29.5 | 12% | 0.116 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.5 | -36.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G81 I83 A175 Y176 | G81-A85 PolarHBondContact O-N 3.46Å; I83-A85 VanDerWaalsContact C-N 3.3Å; I83-A85 PolarHBondContact O-N 2.82Å; A85-A175 VanDerWaalsContact CB-O 3.25Å; A85-A175 WeakPolarHBondContact CB-O 3.43Å; A85-Y176 WeakPolarHBondContact CA-O 3.35Å; A85-Y176 PolarHBondContact N-O 2.99Å |
| 86 | R | 97.7 | Very high | 98.2 | Very high | 82 Ų | 82 | 31.4 Ų | 31.4 | 31% | 0.309 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -75.8 | -43.5 | 174.3 | -62.8 | -180 | -179.5 | -159.6 | -1.3 | 111.2 | F29 N35 T37 L82 I83 H84 I88 L89 | F29-R86 HydrophobicContact CZ-CB 4.36Å; N35-R86 WeakPolarHBondContact O-CD 3.26Å; N35-R86 PolarHBondContact O-NH1 3.33Å; T37-R86 PolarHBondContact O-NH1 2.89Å; T37-R86 PolarHBondContact O-NH2 3.28Å; L82-R86 PolarHBondContact O-N 3.02Å; I83-R86 WeakPolarHBondContact O-CB 3.47Å; I83-R86 PolarHBondContact O-N 3.3Å; H84-R86 VanDerWaalsContact C-N 3.25Å; H84-R86 PolarHBondContact O-N 3.16Å; R86-I88 PolarHBondContact O-N 3.19Å; R86-L89 WeakPolarHBondContact O-CB 3.46Å; R86-L89 PolarHBondContact O-N 3.26Å |
| 87 | Y | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.2 | -44.1 | -175.9 | 179.3 | -108.2 | 0 | 0 | 0 | 112.6 | V25 D26 F29 I83 H84 L89 T90 H92 Q96 | V25-Y87 HydrophobicContact CB-CD1 4.19Å; V25-Y87 HydrophobicContact CB-CE1 4.47Å; V25-Y87 HydrophobicContact CB-CG 4.22Å; V25-Y87 HydrophobicContact CG1-CD1 4.19Å; V25-Y87 HydrophobicContact CG1-CD2 3.72Å; V25-Y87 HydrophobicContact CG1-CE2 4.13Å; V25-Y87 HydrophobicContact CG1-CG 3.72Å; V25-Y87 HydrophobicContact CG2-CD1 3.72Å; V25-Y87 HydrophobicContact CG2-CE1 4.37Å; V25-Y87 HydrophobicContact CG2-CG 3.88Å; D26-Y87 HydrophobicContact CB-CE2 4.48Å; D26-Y87 PolarHBondContact OD1-OH 3.02Å; D26-Y87 VanDerWaalsContact OD1-OH 3.13Å; D26-Y87 WeakPolarHBondContact OD2-CE2 3.42Å; D26-Y87 PolarHBondContact OD2-OH 3.22Å; F29-Y87 HydrophobicContact CB-CD2 4.02Å; F29-Y87 HydrophobicContact CB-CE2 4.07Å; F29-Y87 AromaticContact CD1-CD2 3.61Å; F29-Y87 HydrophobicContact CD1-CD2 3.61Å; F29-Y87 HydrophobicContact CD1-CE2 4.48Å; F29-Y87 HydrophobicContact CD1-CG 4.32Å; F29-Y87 AromaticContact CD2-CD2 3.93Å; F29-Y87 HydrophobicContact CD2-CD2 3.93Å; F29-Y87 HydrophobicContact CD2-CE2 4.45Å; F29-Y87 AromaticContact CE1-CD2 3.98Å; F29-Y87 HydrophobicContact CE1-CD2 3.98Å; F29-Y87 HydrophobicContact CE1-CG 4.41Å; F29-Y87 HydrophobicContact CE2-CD2 4.29Å; F29-Y87 AromaticContact CG-CD2 3.57Å; F29-Y87 HydrophobicContact CG-CD2 3.57Å; F29-Y87 HydrophobicContact CG-CE2 4.09Å; F29-Y87 HydrophobicContact CZ-CD2 4.3Å; I83-Y87 WeakPolarHBondContact O-CB 3.37Å; I83-Y87 PolarHBondContact O-N 3.49Å; H84-Y87 PolarHBondContact O-N 3.06Å; H84-Y87 VanDerWaalsContact O-N 3.11Å; Y87-L89 PolarHBondContact O-N 2.95Å; Y87-T90 WeakPolarHBondContact O-CB 3.24Å; Y87-T90 WeakPolarHBondContact O-CG2 3.45Å; Y87-T90 PolarHBondContact O-N 3.06Å; Y87-T90 PolarHBondContact O-OG1 2.92Å; Y87-H92 PolarHBondContact OH-ND1 2.96Å; Y87-Q96 PolarHBondContact OH-NE2 3.35Å |
| 88 | I | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -1.6 | -178.6 | 69 | 177.9 | 0 | 0 | 0 | 114.1 | H84 R86 I94 M97 F177 F181 | H84-I88 WeakPolarHBondContact O-CG1 3.39Å; H84-I88 WeakPolarHBondContact O-CG2 3.5Å; H84-I88 PolarHBondContact O-N 3.11Å; R86-I88 PolarHBondContact O-N 3.19Å; I88-I94 WeakPolarHBondContact O-CG1 3.32Å; I88-M97 HydrophobicContact CB-CG 4.06Å; I88-M97 HydrophobicContact CG2-CG 3.63Å; I88-M97 HydrophobicContact CG2-SD 4.12Å; I88-F177 HydrophobicContact CD1-CB 4.31Å; I88-F177 HydrophobicContact CD1-CD1 4.28Å; I88-F177 WeakPolarHBondContact CD1-O 3.5Å; I88-F181 HydrophobicContact CB-CD2 3.89Å; I88-F181 HydrophobicContact CB-CE2 4.1Å; I88-F181 HydrophobicContact CD1-CB 3.8Å; I88-F181 HydrophobicContact CD1-CD1 3.88Å; I88-F181 HydrophobicContact CD1-CD2 3.74Å; I88-F181 HydrophobicContact CD1-CE1 4.47Å; I88-F181 HydrophobicContact CD1-CE2 4.34Å; I88-F181 HydrophobicContact CD1-CG 3.49Å; I88-F181 VanDerWaalsContact CD1-CG 3.49Å; I88-F181 HydrophobicContact CG1-CB 4.12Å; I88-F181 HydrophobicContact CG1-CD2 3.71Å; I88-F181 HydrophobicContact CG1-CE2 4.38Å; I88-F181 HydrophobicContact CG1-CG 3.92Å; I88-F181 VanDerWaalsContact O-CD2 3.22Å; I88-F181 WeakPolarHBondContact O-CD2 3.25Å |
| 89 | L | 98 | Very high | 98.4 | Very high | 74 Ų | 74 | 32 Ų | 32 | 39% | 0.387 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -8.4 | 168.9 | -59.7 | 177.4 | 0 | 0 | 0 | 113 | R86 Y87 F181 M184 | R86-L89 WeakPolarHBondContact O-CB 3.46Å; R86-L89 PolarHBondContact O-N 3.26Å; Y87-L89 PolarHBondContact O-N 2.95Å; L89-F181 HydrophobicContact CD2-CB 4.17Å; L89-M184 HydrophobicContact CD2-CB 3.88Å; L89-M184 HydrophobicContact CD2-CG 4.2Å |
| 90 | T | 98.4 | Very high | 98.4 | Very high | 39 Ų | 39 | 33.7 Ų | 33.7 | 24% | 0.239 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -81.4 | 163.4 | 173.8 | 74 | 0 | 0 | 0 | 0 | 111.3 | F29 Y87 H92 G93 I94 | F29-T90 HydrophobicContact CD2-CG2 4.27Å; F29-T90 HydrophobicContact CE2-CG2 3.57Å; F29-T90 HydrophobicContact CZ-CG2 4.16Å; Y87-T90 WeakPolarHBondContact O-CB 3.24Å; Y87-T90 WeakPolarHBondContact O-CG2 3.45Å; Y87-T90 PolarHBondContact O-N 3.06Å; Y87-T90 PolarHBondContact O-OG1 2.92Å; T90-H92 VanDerWaalsContact C-N 3.31Å; T90-H92 PolarHBondContact O-N 2.97Å; T90-G93 PolarHBondContact OG1-N 3.08Å; T90-G93 VanDerWaalsContact OG1-N 3.13Å; T90-I94 WeakPolarHBondContact O-CB 3.44Å; T90-I94 WeakPolarHBondContact O-CG1 3.25Å; T90-I94 PolarHBondContact O-N 3.22Å |
| 91 | N | 98.2 | Very high | 98.4 | Very high | 123 Ų | 123 | 34.4 Ų | 34.4 | 66% | 0.658 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -61.6 | -37.8 | 177.1 | -70 | -35.4 | 0 | 0 | 0 | 112.8 | A95 | N91-A95 PolarHBondContact O-N 3.05Å; N91-A95 VanDerWaalsContact O-N 3.1Å |
| 92 | H | 98.3 | Very high | 98.3 | Very high | 101 Ų | 101 | 39.5 Ų | 39.5 | 47% | 0.468 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -72.2 | -47.3 | -179.1 | -159.3 | -107 | 0 | 0 | 0 | 111.1 | D26 Y87 T90 I94 A95 Q96 | D26-H92 VanDerWaalsContact CG-ND1 3.34Å; D26-H92 IonicContact OD1-CE1 3.15Å; D26-H92 PolarHBondContact OD1-CE1 2.91Å; D26-H92 IonicContact OD1-ND1 3.22Å; D26-H92 PolarHBondContact OD1-ND1 3.49Å; D26-H92 IonicContact OD2-CE1 3.36Å; D26-H92 PolarHBondContact OD2-CE1 3.38Å; D26-H92 IonicContact OD2-CG 3.54Å; D26-H92 IonicContact OD2-ND1 2.69Å; D26-H92 PolarHBondContact OD2-ND1 3.17Å; Y87-H92 PolarHBondContact OH-ND1 2.96Å; T90-H92 VanDerWaalsContact C-N 3.31Å; T90-H92 PolarHBondContact O-N 2.97Å; H92-I94 VanDerWaalsContact C-N 3.34Å; H92-I94 PolarHBondContact O-N 3.39Å; H92-A95 WeakPolarHBondContact O-CB 3.31Å; H92-A95 PolarHBondContact O-N 3.31Å; H92-Q96 PolarHBondContact O-N 2.85Å |
| 93 | G | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.6 | -38.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | T90 A95 Q96 M97 | T90-G93 PolarHBondContact OG1-N 3.08Å; T90-G93 VanDerWaalsContact OG1-N 3.13Å; G93-A95 VanDerWaalsContact C-N 3.33Å; G93-A95 PolarHBondContact O-N 3.29Å; G93-Q96 PolarHBondContact O-N 3.12Å; G93-M97 WeakPolarHBondContact O-CB 3.42Å; G93-M97 VanDerWaalsContact O-CG 3.26Å; G93-M97 WeakPolarHBondContact O-CG 3.4Å; G93-M97 PolarHBondContact O-N 3.02Å |
| 94 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.6 | -43.4 | 172.4 | -71.8 | 170.1 | 0 | 0 | 0 | 110.9 | I88 T90 H92 M97 V98 M184 L185 V188 | I88-I94 WeakPolarHBondContact O-CG1 3.32Å; T90-I94 WeakPolarHBondContact O-CB 3.44Å; T90-I94 WeakPolarHBondContact O-CG1 3.25Å; T90-I94 PolarHBondContact O-N 3.22Å; H92-I94 VanDerWaalsContact C-N 3.34Å; H92-I94 PolarHBondContact O-N 3.39Å; I94-M97 PolarHBondContact O-N 2.97Å; I94-V98 HydrophobicContact CG2-CG2 4.16Å; I94-V98 WeakPolarHBondContact O-CB 3.48Å; I94-V98 VanDerWaalsContact O-CG2 3.24Å; I94-V98 WeakPolarHBondContact O-CG2 3.47Å; I94-V98 PolarHBondContact O-N 3.43Å; I94-M184 HydrophobicContact CD1-CG 3.97Å; I94-L185 HydrophobicContact CG2-CB 4.5Å; I94-L185 HydrophobicContact CG2-CG 4.17Å; I94-V188 HydrophobicContact CD1-CB 4.34Å; I94-V188 HydrophobicContact CD1-CG2 3.83Å |
| 95 | A | 98.6 | Very high | 98.2 | Very high | 50 Ų | 50 | 48 Ų | 48 | 41% | 0.413 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.3 | -47 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | N91 H92 G93 M97 V98 E99 | N91-A95 PolarHBondContact O-N 3.05Å; N91-A95 VanDerWaalsContact O-N 3.1Å; H92-A95 WeakPolarHBondContact O-CB 3.31Å; H92-A95 PolarHBondContact O-N 3.31Å; G93-A95 VanDerWaalsContact C-N 3.33Å; G93-A95 PolarHBondContact O-N 3.29Å; A95-M97 PolarHBondContact O-N 3.27Å; A95-V98 PolarHBondContact O-N 3.01Å; A95-E99 PolarHBondContact O-N 2.91Å; A95-E99 VanDerWaalsContact O-N 3.07Å |
| 96 | Q | 98.7 | Very high | 98.3 | Very high | 41 Ų | 41 | 47.5 Ų | 47.5 | 19% | 0.192 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60 | -44.9 | 175.6 | -67.4 | -159.4 | 38.9 | 0 | 0 | 112 | C23 E24 D26 Y87 H92 G93 V98 E99 K100 | C23-Q96 HydrophobicContact CB-CB 3.95Å; E24-Q96 PolarHBondContact O-NE2 3.12Å; E24-Q96 PolarHBondContact O-OE1 3.4Å; D26-Q96 PolarHBondContact OD1-NE2 3.35Å; Y87-Q96 PolarHBondContact OH-NE2 3.35Å; H92-Q96 PolarHBondContact O-N 2.85Å; G93-Q96 PolarHBondContact O-N 3.12Å; Q96-V98 VanDerWaalsContact C-N 3.32Å; Q96-V98 PolarHBondContact O-N 3.43Å; Q96-E99 WeakPolarHBondContact O-CB 3.43Å; Q96-E99 PolarHBondContact O-N 3.07Å; Q96-K100 PolarHBondContact O-N 2.8Å; Q96-K100 VanDerWaalsContact O-N 3.11Å |
| 97 | M | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69 | -30.3 | 179.5 | -66.7 | -64.2 | -77.2 | 0 | 0 | 112.7 | C23 I88 G93 I94 A95 K100 W101 F106 P121 F177 F181 | C23-M97 HydrophobicContact CB-CG 4.42Å; C23-M97 HydrophobicContact CB-SD 3.74Å; I88-M97 HydrophobicContact CB-CG 4.06Å; I88-M97 HydrophobicContact CG2-CG 3.63Å; I88-M97 HydrophobicContact CG2-SD 4.12Å; G93-M97 WeakPolarHBondContact O-CB 3.42Å; G93-M97 VanDerWaalsContact O-CG 3.26Å; G93-M97 WeakPolarHBondContact O-CG 3.4Å; G93-M97 PolarHBondContact O-N 3.02Å; I94-M97 PolarHBondContact O-N 2.97Å; A95-M97 PolarHBondContact O-N 3.27Å; M97-K100 HydrophobicContact SD-CD 4.24Å; M97-W101 VanDerWaalsContact O-CB 3.3Å; M97-W101 WeakPolarHBondContact O-CB 3.12Å; M97-W101 PolarHBondContact O-N 3.19Å; M97-F106 HydrophobicContact CE-CE1 3.77Å; M97-F106 HydrophobicContact CE-CE2 4.34Å; M97-F106 HydrophobicContact CE-CZ 3.42Å; M97-F106 VanDerWaalsContact CE-CZ 3.42Å; M97-F106 WeakPolarHBondContact O-CE2 3.31Å; M97-F106 HydrophobicContact SD-CE1 4.49Å; M97-F106 HydrophobicContact SD-CZ 3.95Å; M97-P121 HydrophobicContact CE-CG 3.61Å; M97-F177 HydrophobicContact CE-CD1 4.48Å; M97-F181 HydrophobicContact CB-CE1 4.5Å; M97-F181 HydrophobicContact CB-CE2 3.9Å; M97-F181 HydrophobicContact CB-CZ 3.49Å; M97-F181 VanDerWaalsContact CB-CZ 3.49Å; M97-F181 HydrophobicContact CE-CE1 3.93Å; M97-F181 HydrophobicContact CE-CZ 4.02Å; M97-F181 HydrophobicContact CG-CE2 4.12Å; M97-F181 HydrophobicContact CG-CZ 3.92Å |
| 98 | V | 98.6 | Very high | 98.2 | Very high | 15 Ų | 15 | 48 Ų | 48 | 9% | 0.091 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.3 | -40.8 | 171.9 | 165.5 | 0 | 0 | 0 | 0 | 110.9 | I94 A95 Q96 W101 Q102 L185 L192 | I94-V98 HydrophobicContact CG2-CG2 4.16Å; I94-V98 WeakPolarHBondContact O-CB 3.48Å; I94-V98 VanDerWaalsContact O-CG2 3.24Å; I94-V98 WeakPolarHBondContact O-CG2 3.47Å; I94-V98 PolarHBondContact O-N 3.43Å; A95-V98 PolarHBondContact O-N 3.01Å; Q96-V98 VanDerWaalsContact C-N 3.32Å; Q96-V98 PolarHBondContact O-N 3.43Å; V98-W101 WeakPolarHBondContact O-CB 3.47Å; V98-W101 PolarHBondContact O-N 2.92Å; V98-Q102 HydrophobicContact CG1-CG 4.45Å; V98-Q102 VanDerWaalsContact O-CG 3.31Å; V98-Q102 WeakPolarHBondContact O-CG 3.28Å; V98-Q102 PolarHBondContact O-N 3.44Å; V98-L185 HydrophobicContact CG2-CD1 3.67Å; V98-L185 HydrophobicContact CG2-CD2 4.33Å; V98-L185 HydrophobicContact CG2-CG 3.95Å; V98-L192 HydrophobicContact CG1-CD1 3.9Å; V98-L192 HydrophobicContact CG2-CD1 4.03Å |
| 99 | E | 98.5 | Very high | 98.2 | Very high | 120 Ų | 120 | 48.1 Ų | 48.1 | 56% | 0.561 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -60.2 | -51.5 | 175.5 | -176 | 178.6 | 177.4 | 0 | 0 | 111.1 | A95 Q96 W101 Q102 N103 | A95-E99 PolarHBondContact O-N 2.91Å; A95-E99 VanDerWaalsContact O-N 3.07Å; Q96-E99 WeakPolarHBondContact O-CB 3.43Å; Q96-E99 PolarHBondContact O-N 3.07Å; E99-W101 VanDerWaalsContact C-N 3.26Å; E99-W101 PolarHBondContact O-N 3.01Å; E99-Q102 PolarHBondContact O-N 2.81Å; E99-N103 PolarHBondContact O-N 2.94Å; E99-N103 PolarHBondContact O-ND2 3.1Å |
| 100 | K | 98.6 | Very high | 98.2 | Very high | 36 Ų | 36 | 48 Ų | 48 | 16% | 0.157 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.5 | -39 | 174.7 | -67.2 | -177.2 | 64.9 | 65.2 | 0 | 112.5 | E20 F22 C23 Q96 M97 N103 G104 D105 F106 | E20-K100 VanDerWaalsContact O-CE 3.22Å; E20-K100 WeakPolarHBondContact O-CE 3.43Å; E20-K100 PolarHBondContact O-NZ 3.5Å; F22-K100 WeakPolarHBondContact O-CE 3.22Å; F22-K100 PolarHBondContact O-NZ 2.98Å; C23-K100 HydrophobicContact CB-CD 4.08Å; Q96-K100 PolarHBondContact O-N 2.8Å; Q96-K100 VanDerWaalsContact O-N 3.11Å; M97-K100 HydrophobicContact SD-CD 4.24Å; K100-N103 PolarHBondContact O-N 3.31Å; K100-G104 PolarHBondContact O-N 3.16Å; K100-G104 VanDerWaalsContact O-N 3.12Å; K100-D105 HydrophobicContact CB-CB 4.18Å; K100-D105 WeakPolarHBondContact CG-OD2 3.3Å; K100-D105 IonicContact NZ-OD2 3.88Å; K100-D105 PolarHBondContact NZ-OD2 2.96Å; K100-D105 PolarHBondContact O-N 3.07Å; K100-D105 VanDerWaalsContact O-N 3.12Å; K100-F106 HydrophobicContact CB-CE1 4.21Å; K100-F106 HydrophobicContact CB-CE2 3.86Å; K100-F106 HydrophobicContact CB-CZ 3.47Å; K100-F106 VanDerWaalsContact CB-CZ 3.47Å; K100-F106 HydrophobicContact CD-CZ 4.26Å; K100-F106 HydrophobicContact CG-CZ 4.49Å |
| 101 | W | 98.3 | Very high | 98.1 | Very high | 15 Ų | 15 | 51 Ų | 51 | 6% | 0.057 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.2 | -47.9 | 177.5 | -179.9 | 50.8 | 0 | 0 | 0 | 111.5 | M97 V98 E99 N103 G104 F106 Q118 L120 P156 F186 L192 | M97-W101 VanDerWaalsContact O-CB 3.3Å; M97-W101 WeakPolarHBondContact O-CB 3.12Å; M97-W101 PolarHBondContact O-N 3.19Å; V98-W101 WeakPolarHBondContact O-CB 3.47Å; V98-W101 PolarHBondContact O-N 2.92Å; E99-W101 VanDerWaalsContact C-N 3.26Å; E99-W101 PolarHBondContact O-N 3.01Å; W101-N103 VanDerWaalsContact C-N 3.26Å; W101-N103 PolarHBondContact O-N 3.06Å; W101-G104 WeakPolarHBondContact O-CA 3.41Å; W101-G104 PolarHBondContact O-N 3.17Å; W101-F106 HydrophobicContact CB-CD2 4.04Å; W101-F106 HydrophobicContact CB-CE2 3.79Å; W101-Q118 VanDerWaalsContact NE1-C 3.27Å; W101-Q118 VanDerWaalsContact NE1-CB 3.34Å; W101-Q118 PolarHBondContact NE1-O 3.04Å; W101-Q118 PolarHBondContact O-OE1 3.26Å; W101-L120 HydrophobicContact CB-CD2 3.81Å; W101-L120 HydrophobicContact CD2-CD2 4.36Å; W101-L120 HydrophobicContact CG-CD2 3.68Å; W101-L120 HydrophobicContact CG-CG 4.25Å; W101-P156 HydrophobicContact CZ2-CG 4.01Å; W101-F186 HydrophobicContact CH2-CE1 4.23Å; W101-F186 HydrophobicContact CH2-CZ 4.39Å; W101-F186 HydrophobicContact CZ2-CZ 4.38Å; W101-L192 HydrophobicContact CH2-CB 4.35Å; W101-L192 HydrophobicContact CZ3-CB 3.96Å; W101-L192 HydrophobicContact CZ3-CD1 4.2Å; W101-L192 HydrophobicContact CZ3-CD2 4.49Å; W101-L192 HydrophobicContact CZ3-CG 4.44Å |
| 102 | Q | 97.3 | Very high | 98 | Very high | 108 Ų | 108 | 52 Ų | 52 | 51% | 0.505 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.7 | -34 | 178.4 | -71.2 | 174.9 | 4.6 | 0 | 0 | 112.3 | V98 E99 G104 Q118 | V98-Q102 HydrophobicContact CG1-CG 4.45Å; V98-Q102 VanDerWaalsContact O-CG 3.31Å; V98-Q102 WeakPolarHBondContact O-CG 3.28Å; V98-Q102 PolarHBondContact O-N 3.44Å; E99-Q102 PolarHBondContact O-N 2.81Å; Q102-G104 PolarHBondContact O-N 2.83Å; Q102-Q118 PolarHBondContact O-NE2 2.86Å |
| 103 | N | 97.6 | Very high | 97.9 | Very high | 110 Ų | 110 | 51 Ų | 51 | 59% | 0.588 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -73.2 | -15.7 | 174.1 | -67.2 | -21.4 | 0 | 0 | 0 | 113.2 | E99 K100 W101 D105 | E99-N103 PolarHBondContact O-N 2.94Å; E99-N103 PolarHBondContact O-ND2 3.1Å; K100-N103 PolarHBondContact O-N 3.31Å; W101-N103 VanDerWaalsContact C-N 3.26Å; W101-N103 PolarHBondContact O-N 3.06Å; N103-D105 WeakPolarHBondContact CB-OD1 3.45Å |
| 104 | G | 97.1 | Very high | 97.8 | Very high | 14 Ų | 14 | 51 Ų | 51 | 14% | 0.144 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | 18.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | K100 W101 Q102 F106 G107 | K100-G104 PolarHBondContact O-N 3.16Å; K100-G104 VanDerWaalsContact O-N 3.12Å; W101-G104 WeakPolarHBondContact O-CA 3.41Å; W101-G104 PolarHBondContact O-N 3.17Å; Q102-G104 PolarHBondContact O-N 2.83Å; G104-F106 PolarHBondContact O-N 3.12Å; G104-G107 PolarHBondContact O-N 2.99Å |
| 105 | D | 97.9 | Very high | 97.7 | Very high | 64 Ų | 64 | 56.5 Ų | 56.5 | 34% | 0.342 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -33.9 | -175.9 | -68.8 | 6.5 | 0 | 0 | 0 | 112.8 | K100 N103 G107 | K100-D105 HydrophobicContact CB-CB 4.18Å; K100-D105 WeakPolarHBondContact CG-OD2 3.3Å; K100-D105 IonicContact NZ-OD2 3.88Å; K100-D105 PolarHBondContact NZ-OD2 2.96Å; K100-D105 PolarHBondContact O-N 3.07Å; K100-D105 VanDerWaalsContact O-N 3.12Å; N103-D105 WeakPolarHBondContact CB-OD1 3.45Å; D105-G107 VanDerWaalsContact C-N 3.28Å; D105-G107 PolarHBondContact O-N 3.35Å |
| 106 | F | 98.2 | Very high | 97.6 | Very high | 4 Ų | 4 | 59.8 Ų | 59.8 | 2% | 0.018 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -7.7 | -179.5 | -47.8 | -52.5 | 0 | 0 | 0 | 113.5 | F21 M97 K100 W101 G104 M119 L120 P121 L153 | F21-F106 HydrophobicContact CB-CD1 4.18Å; F21-F106 HydrophobicContact CB-CE1 4.27Å; F21-F106 AromaticContact CD1-CD1 3.68Å; F21-F106 HydrophobicContact CD1-CD1 3.68Å; F21-F106 HydrophobicContact CD1-CE1 4.47Å; F21-F106 HydrophobicContact CE1-CB 4.45Å; F21-F106 HydrophobicContact CE1-CD1 4.35Å; F21-F106 HydrophobicContact CG-CD1 4.05Å; F21-F106 WeakPolarHBondContact O-CE1 3.3Å; M97-F106 HydrophobicContact CE-CE1 3.77Å; M97-F106 HydrophobicContact CE-CE2 4.34Å; M97-F106 HydrophobicContact CE-CZ 3.42Å; M97-F106 VanDerWaalsContact CE-CZ 3.42Å; M97-F106 WeakPolarHBondContact O-CE2 3.31Å; M97-F106 HydrophobicContact SD-CE1 4.49Å; M97-F106 HydrophobicContact SD-CZ 3.95Å; K100-F106 HydrophobicContact CB-CE1 4.21Å; K100-F106 HydrophobicContact CB-CE2 3.86Å; K100-F106 HydrophobicContact CB-CZ 3.47Å; K100-F106 VanDerWaalsContact CB-CZ 3.47Å; K100-F106 HydrophobicContact CD-CZ 4.26Å; K100-F106 HydrophobicContact CG-CZ 4.49Å; W101-F106 HydrophobicContact CB-CD2 4.04Å; W101-F106 HydrophobicContact CB-CE2 3.79Å; G104-F106 PolarHBondContact O-N 3.12Å; F106-M119 WeakPolarHBondContact CB-O 3.35Å; F106-M119 WeakPolarHBondContact CD2-O 3.32Å; F106-L120 HydrophobicContact CD2-CD2 4.04Å; F106-L120 HydrophobicContact CE2-CD2 3.92Å; F106-P121 HydrophobicContact CD1-CG 4.02Å; F106-P121 HydrophobicContact CE1-CG 3.97Å; F106-P121 HydrophobicContact CZ-CG 4.4Å; F106-L153 HydrophobicContact CB-CD2 4.39Å; F106-L153 WeakPolarHBondContact O-CD1 3.45Å |
| 107 | G | 97.3 | Very high | 97.6 | Very high | 23 Ų | 23 | 59.2 Ų | 59.2 | 24% | 0.237 | 30% | 0.299 | C | S | . | . | trans | 82.1 | -169.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | G104 D105 Q118 M119 | G104-G107 PolarHBondContact O-N 2.99Å; D105-G107 VanDerWaalsContact C-N 3.28Å; D105-G107 PolarHBondContact O-N 3.35Å; G107-Q118 WeakPolarHBondContact O-CA 3.4Å; G107-M119 PolarHBondContact O-N 3.03Å | ||
| 108 | H | 98.2 | Very high | 97.6 | Very high | 72 Ų | 72 | 61.5 Ų | 61.5 | 33% | 0.333 | 31% | 0.31 | S | S | . | . | B | Isolated β-bridge | trans | -128.7 | 143.6 | -164 | -54.7 | 93.6 | 0 | 0 | 0 | 112.6 | N116 Q117 M119 K165 | H108-N116 HydrophobicContact CB-CB 4.23Å; H108-N116 PolarHBondContact CD2-O 2.97Å; H108-Q117 CarbonylContact C-O 3.6Å; H108-Q117 WeakPolarHBondContact CA-O 3.4Å; H108-M119 WeakPolarHBondContact O-CE 3.4Å; H108-K165 PolarHBondContact O-NZ 2.84Å |
| 109 | C | 98.2 | Very high | 97.6 | Very high | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.014 | 31% | 0.306 | C | S | . | . | trans | -53.8 | 130.7 | -178.7 | -175.1 | 0 | 0 | 0 | 0 | 111.7 | R111 C114 Q117 M119 C155 | C109-R111 VanDerWaalsContact C-N 3.26Å; C109-R111 PolarHBondContact O-N 3.21Å; C109-C114 HydrophobicContact CB-CB 3.77Å; C109-C114 VanDerWaalsContact SG-SG 3.64Å; C109-Q117 HydrophobicContact CB-CB 4.23Å; C109-Q117 PolarHBondContact N-O 3.17Å; C109-M119 VanDerWaalsContact CA-SD 3.53Å; C109-M119 HydrophobicContact CB-CG 4.16Å; C109-M119 HydrophobicContact CB-SD 4.1Å; C109-C155 HydrophobicContact CB-CB 4.08Å; C109-C155 VanDerWaalsContact CB-SG 3.57Å | ||
| 110 | P | 97.6 | Very high | 97.6 | Very high | 72 Ų | 72 | 55.2 Ų | 55.2 | 47% | 0.468 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -76.1 | -12.4 | 179.9 | 31.2 | -35.8 | 0 | 0 | 0 | 113.3 | L112 Y162 | P110-L112 PolarHBondContact O-N 3.26Å; P110-Y162 HydrophobicContact CG-CD1 3.24Å; P110-Y162 HydrophobicContact CG-CD2 4.41Å; P110-Y162 HydrophobicContact CG-CE1 3.63Å; P110-Y162 HydrophobicContact CG-CG 3.71Å |
| 111 | R | 97 | Very high | 97.5 | Very high | 100 Ų | 100 | 53.5 Ų | 53.5 | 38% | 0.377 | 27% | 0.272 | S | S | . | . | trans | -72 | 122 | 176.9 | -72.6 | -179.4 | 66.9 | 171.7 | 1.6 | 110 | C109 Y113 C114 Y162 | C109-R111 VanDerWaalsContact C-N 3.26Å; C109-R111 PolarHBondContact O-N 3.21Å; R111-Y113 VanDerWaalsContact C-N 3.29Å; R111-Y113 PolarHBondContact O-N 3.13Å; R111-C114 HydrophobicContact CB-CB 4.28Å; R111-C114 WeakPolarHBondContact O-CB 3.46Å; R111-C114 PolarHBondContact O-N 3.18Å; R111-Y162 WeakPolarHBondContact CD-OH 3.35Å; R111-Y162 HydrophobicContact CG-CE1 4.29Å; R111-Y162 WeakPolarHBondContact CG-OH 3.45Å | ||
| 112 | L | 96 | Very high | 97.4 | Very high | 145 Ų | 145 | 52.9 Ų | 52.9 | 76% | 0.759 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -49.4 | -48 | 178.9 | -175.6 | 66.9 | 0 | 0 | 0 | 113 | P110 C114 E115 | P110-L112 PolarHBondContact O-N 3.26Å; L112-C114 PolarHBondContact O-N 3.39Å; L112-E115 PolarHBondContact O-N 2.96Å |
| 113 | Y | 96.6 | Very high | 97 | Very high | 79 Ų | 79 | 47.8 Ų | 47.8 | 31% | 0.31 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -75.4 | 0.9 | -179.3 | -67.2 | -72.4 | 0 | 0 | 0 | 114.8 | R111 E115 P197 N199 Q200 Y201 | R111-Y113 VanDerWaalsContact C-N 3.29Å; R111-Y113 PolarHBondContact O-N 3.13Å; Y113-E115 VanDerWaalsContact C-N 3.32Å; Y113-P197 WeakPolarHBondContact O-CB 3.37Å; Y113-N199 WeakPolarHBondContact CB-O 3.42Å; Y113-N199 HydrophobicContact CD1-CB 3.46Å; Y113-N199 VanDerWaalsContact CD1-CB 3.46Å; Y113-N199 HydrophobicContact CE1-CB 3.5Å; Y113-N199 VanDerWaalsContact CE1-CB 3.5Å; Y113-N199 HydrophobicContact CG-CB 4.46Å; Y113-Q200 VanDerWaalsContact CE2-C 3.5Å; Y113-Y201 VanDerWaalsContact CE2-CA 3.41Å |
| 114 | C | 97.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -86.6 | -5.5 | 164.9 | -71.5 | 0 | 0 | 0 | 0 | 112.6 | C109 R111 L112 N116 Q117 R157 C158 | C109-C114 HydrophobicContact CB-CB 3.77Å; C109-C114 VanDerWaalsContact SG-SG 3.64Å; R111-C114 HydrophobicContact CB-CB 4.28Å; R111-C114 WeakPolarHBondContact O-CB 3.46Å; R111-C114 PolarHBondContact O-N 3.18Å; L112-C114 PolarHBondContact O-N 3.39Å; C114-N116 PolarHBondContact O-N 3.29Å; C114-Q117 HydrophobicContact CB-CB 4.09Å; C114-Q117 WeakPolarHBondContact O-CB 3.43Å; C114-Q117 PolarHBondContact O-N 3.24Å; C114-R157 PolarHBondContact O-NH1 3.25Å; C114-C158 VanDerWaalsContact SG-CB 3.53Å |
| 115 | E | 96.1 | Very high | 94.8 | Very high | 117 Ų | 117 | 46.1 Ų | 46.1 | 55% | 0.547 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 52 | 173.9 | -50.4 | 164.9 | 165.7 | 0 | 0 | 112.3 | L112 Y113 Q117 R157 | L112-E115 PolarHBondContact O-N 2.96Å; Y113-E115 VanDerWaalsContact C-N 3.32Å; E115-Q117 VanDerWaalsContact C-N 3.29Å; E115-Q117 PolarHBondContact O-N 3.15Å; E115-R157 IonicContact OE1-NH2 3.46Å; E115-R157 IonicContact OE2-CZ 3.76Å; E115-R157 VanDerWaalsContact OE2-CZ 3.23Å; E115-R157 IonicContact OE2-NH1 2.66Å; E115-R157 PolarHBondContact OE2-NH1 2.94Å; E115-R157 IonicContact OE2-NH2 3.54Å; E115-R157 PolarHBondContact OE2-NH2 3.41Å |
| 116 | N | 96.6 | Very high | 92.9 | Very high | 118 Ų | 118 | 49.1 Ų | 49.1 | 63% | 0.631 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 39.3 | -176.6 | -61.3 | -43.6 | 0 | 0 | 0 | 113.9 | H108 C114 Q118 | H108-N116 HydrophobicContact CB-CB 4.23Å; H108-N116 PolarHBondContact CD2-O 2.97Å; C114-N116 PolarHBondContact O-N 3.29Å; N116-Q118 PolarHBondContact O-N 3.04Å |
| 117 | Q | 97.9 | Very high | 90.7 | Very high | 29 Ų | 29 | 52.4 Ų | 52.4 | 14% | 0.136 | 25% | 0.254 | C | S | . | . | trans | -54.7 | 125.9 | 171.2 | 176.6 | 62.9 | 61.1 | 0 | 0 | 111.3 | H108 C109 C114 E115 P156 R157 | H108-Q117 CarbonylContact C-O 3.6Å; H108-Q117 WeakPolarHBondContact CA-O 3.4Å; C109-Q117 HydrophobicContact CB-CB 4.23Å; C109-Q117 PolarHBondContact N-O 3.17Å; C114-Q117 HydrophobicContact CB-CB 4.09Å; C114-Q117 WeakPolarHBondContact O-CB 3.43Å; C114-Q117 PolarHBondContact O-N 3.24Å; E115-Q117 VanDerWaalsContact C-N 3.29Å; E115-Q117 PolarHBondContact O-N 3.15Å; Q117-P156 HydrophobicContact CG-CG 4.1Å; Q117-R157 HydrophobicContact CB-CB 3.97Å; Q117-R157 HydrophobicContact CG-CB 3.6Å | ||
| 118 | Q | 98.3 | Very high | 88.3 | Confident | 49 Ų | 49 | 57.2 Ų | 57.2 | 23% | 0.229 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -60.2 | 134.9 | 171.1 | -67.2 | 167 | -17 | 0 | 0 | 110.7 | W101 Q102 G107 N116 P156 | W101-Q118 VanDerWaalsContact NE1-C 3.27Å; W101-Q118 VanDerWaalsContact NE1-CB 3.34Å; W101-Q118 PolarHBondContact NE1-O 3.04Å; W101-Q118 PolarHBondContact O-OE1 3.26Å; Q102-Q118 PolarHBondContact O-NE2 2.86Å; G107-Q118 WeakPolarHBondContact O-CA 3.4Å; N116-Q118 PolarHBondContact O-N 3.04Å; Q118-P156 WeakPolarHBondContact O-CD 3.06Å |
| 119 | M | 98.5 | Very high | 85.8 | Confident | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | trans | -104.4 | 170.9 | -177 | -60.8 | -166 | -69.8 | 0 | 0 | 112 | F106 G107 H108 C109 L153 Y154 C155 Y162 | F106-M119 WeakPolarHBondContact CB-O 3.35Å; F106-M119 WeakPolarHBondContact CD2-O 3.32Å; G107-M119 PolarHBondContact O-N 3.03Å; H108-M119 WeakPolarHBondContact O-CE 3.4Å; C109-M119 VanDerWaalsContact CA-SD 3.53Å; C109-M119 HydrophobicContact CB-CG 4.16Å; C109-M119 HydrophobicContact CB-SD 4.1Å; M119-L153 HydrophobicContact CB-CB 4.08Å; M119-L153 HydrophobicContact CE-CB 3.57Å; M119-L153 HydrophobicContact CE-CD1 3.4Å; M119-L153 VanDerWaalsContact CE-CD1 3.4Å; M119-L153 HydrophobicContact CE-CG 4.11Å; M119-L153 HydrophobicContact SD-CB 3.84Å; M119-Y154 CarbonylContact C-O 3.58Å; M119-Y154 WeakPolarHBondContact CA-O 3.25Å; M119-Y154 WeakPolarHBondContact CB-O 3.41Å; M119-C155 HydrophobicContact CG-CB 4.12Å; M119-C155 HydrophobicContact SD-CB 4.15Å; M119-Y162 HydrophobicContact SD-CD2 3.63Å; M119-Y162 HydrophobicContact SD-CE2 4.46Å; M119-Y162 HydrophobicContact SD-CG 4.28Å | ||
| 120 | L | 98.6 | Very high | 83.3 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 146.2 | 175.7 | -71 | 163.2 | 0 | 0 | 0 | 110.1 | W101 F106 L153 Y154 F181 P182 L185 F186 | W101-L120 HydrophobicContact CB-CD2 3.81Å; W101-L120 HydrophobicContact CD2-CD2 4.36Å; W101-L120 HydrophobicContact CG-CD2 3.68Å; W101-L120 HydrophobicContact CG-CG 4.25Å; F106-L120 HydrophobicContact CD2-CD2 4.04Å; F106-L120 HydrophobicContact CE2-CD2 3.92Å; L120-L153 CarbonylContact O-C 3.54Å; L120-L153 WeakPolarHBondContact O-CA 3.17Å; L120-Y154 PolarHBondContact N-O 2.86Å; L120-Y154 PolarHBondContact O-N 3.24Å; L120-F181 HydrophobicContact CB-CE1 4.23Å; L120-F181 HydrophobicContact CD2-CE1 3.99Å; L120-F181 HydrophobicContact CD2-CZ 4.15Å; L120-P182 HydrophobicContact CB-CB 4.23Å; L120-P182 HydrophobicContact CB-CG 4.05Å; L120-P182 HydrophobicContact CD1-CB 3.99Å; L120-L185 HydrophobicContact CD1-CD1 3.97Å; L120-L185 HydrophobicContact CD1-CD2 4.32Å; L120-L185 HydrophobicContact CD2-CD1 3.99Å; L120-F186 HydrophobicContact CD1-CE2 3.75Å; L120-F186 HydrophobicContact CD1-CZ 3.86Å |
| 121 | P | 97.9 | Very high | 80.8 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 150.6 | 173.6 | 31 | -35.8 | 0 | 0 | 0 | 111.2 | F21 M97 F106 V151 K152 F177 F181 P182 | F21-P121 HydrophobicContact CD2-CB 4.29Å; M97-P121 HydrophobicContact CE-CG 3.61Å; F106-P121 HydrophobicContact CD1-CG 4.02Å; F106-P121 HydrophobicContact CE1-CG 3.97Å; F106-P121 HydrophobicContact CZ-CG 4.4Å; P121-V151 HydrophobicContact CB-CG2 3.86Å; P121-K152 CarbonylContact C-O 3.32Å; P121-K152 WeakPolarHBondContact CA-O 3.4Å; P121-F177 HydrophobicContact CB-CB 4.4Å; P121-F177 HydrophobicContact CB-CD1 3.49Å; P121-F177 VanDerWaalsContact CB-CD1 3.49Å; P121-F177 HydrophobicContact CB-CD2 4.39Å; P121-F177 HydrophobicContact CB-CE1 3.81Å; P121-F177 HydrophobicContact CB-CG 3.81Å; P121-F177 HydrophobicContact CB-CZ 4.4Å; P121-F177 HydrophobicContact CG-CD1 3.48Å; P121-F177 VanDerWaalsContact CG-CD1 3.48Å; P121-F177 HydrophobicContact CG-CE1 3.8Å; P121-F177 HydrophobicContact CG-CG 4.25Å; P121-F181 HydrophobicContact CG-CE1 4.23Å; P121-F181 WeakPolarHBondContact O-CD1 3.28Å; P121-P182 WeakPolarHBondContact O-CG 3.25Å |
| 122 | L | 95.1 | Very high | 78.3 | Confident | 3 Ų | 3 | 72.9 Ų | 72.9 | 2% | 0.016 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 141 | -179 | 168.8 | 143.9 | 0 | 0 | 0 | 110.6 | F124 K152 L161 P182 | L122-F124 HydrophobicContact CD2-CB 3.64Å; L122-K152 HydrophobicContact CD2-CB 4.45Å; L122-K152 PolarHBondContact N-O 3.21Å; L122-K152 PolarHBondContact O-N 3.16Å; L122-L161 HydrophobicContact CD1-CD2 4.37Å; L122-L161 HydrophobicContact CD2-CD1 3.9Å; L122-L161 HydrophobicContact CD2-CD2 3.73Å; L122-L161 HydrophobicContact CD2-CG 4.48Å; L122-P182 HydrophobicContact CB-CG 3.96Å; L122-P182 HydrophobicContact CD1-CG 3.91Å |
| 123 | G | 89.5 | Confident | 75.8 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 37% | 0.365 | C | S | . | . | trans | -76.6 | 130.3 | 166 | 0 | 0 | 0 | 0 | 0 | 111.8 | G174 G178 T179 | G123-G174 WeakPolarHBondContact CA-O 3.33Å; G123-G174 PolarHBondContact N-O 3.09Å; G123-G178 PolarHBondContact N-O 3.18Å; G123-T179 WeakPolarHBondContact O-CG2 3.37Å | ||
| 124 | F | 80 | Confident | 73.4 | Confident | 46 Ų | 46 | 80.9 Ų | 80.9 | 20% | 0.202 | 39% | 0.391 | C | S | . | . | trans | -149 | 121 | 177.3 | -179.8 | -101.8 | 0 | 0 | 0 | 112.2 | L122 Q126 L142 S149 K152 L161 | L122-F124 HydrophobicContact CD2-CB 3.64Å; F124-Q126 HydrophobicContact CD1-CB 4.2Å; F124-Q126 HydrophobicContact CE1-CB 3.74Å; F124-Q126 HydrophobicContact CE1-CG 4.24Å; F124-Q126 PolarHBondContact O-N 3.13Å; F124-L142 HydrophobicContact CD2-CD2 4.46Å; F124-S149 WeakPolarHBondContact O-CB 3Å; F124-S149 PolarHBondContact O-OG 3.21Å; F124-K152 HydrophobicContact CB-CB 4.41Å; F124-K152 HydrophobicContact CB-CG 3.84Å; F124-L161 HydrophobicContact CB-CD1 3.82Å; F124-L161 HydrophobicContact CD1-CD1 3.97Å; F124-L161 HydrophobicContact CD2-CD1 3.4Å; F124-L161 HydrophobicContact CE1-CD1 4.39Å; F124-L161 HydrophobicContact CE2-CD1 3.89Å; F124-L161 HydrophobicContact CG-CD1 3.44Å; F124-L161 VanDerWaalsContact CG-CD1 3.44Å; F124-L161 HydrophobicContact CZ-CD1 4.36Å | ||
| 125 | F | 67.7 | Low | 70.9 | Confident | 44 Ų | 44 | 84.7 Ų | 84.7 | 19% | 0.193 | 41% | 0.414 | C | S | . | . | B | Isolated β-bridge | trans | -94.9 | 103.5 | 174.7 | 177.5 | -111.7 | 0 | 0 | 0 | 112.1 | R127 G141 E148 | F125-R127 HydrophobicContact CD1-CG 4.11Å; F125-R127 HydrophobicContact CE1-CB 4.43Å; F125-R127 HydrophobicContact CE1-CG 3.4Å; F125-R127 VanDerWaalsContact CE1-CG 3.4Å; F125-R127 HydrophobicContact CZ-CG 4.05Å; F125-R127 PolarHBondContact O-N 3.43Å; F125-G141 CarbonylContact C-O 3.54Å; F125-G141 VanDerWaalsContact C-O 3.32Å; F125-G141 VanDerWaalsContact CA-O 3.25Å; F125-G141 WeakPolarHBondContact CA-O 3.23Å; F125-G141 VanDerWaalsContact CB-O 3.31Å; F125-G141 WeakPolarHBondContact CB-O 3.49Å; F125-G141 PolarHBondContact N-O 2.94Å; F125-G141 PolarHBondContact O-N 3.31Å; F125-E148 HydrophobicContact CD2-CB 3.68Å; F125-E148 HydrophobicContact CD2-CG 4.45Å; F125-E148 HydrophobicContact CE2-CB 3.94Å; F125-E148 HydrophobicContact CE2-CG 4.35Å |
| 126 | Q | 58.5 | Low | 68.4 | Low | 127 Ų | 127 | 86.7 Ų | 86.7 | 59% | 0.593 | 43% | 0.428 | S | S | * | . | trans | -80.6 | 110.1 | 165.5 | -162.9 | 166.1 | -3.2 | 0 | 0 | 108.6 | F124 N128 | F124-Q126 HydrophobicContact CD1-CB 4.2Å; F124-Q126 HydrophobicContact CE1-CB 3.74Å; F124-Q126 HydrophobicContact CE1-CG 4.24Å; F124-Q126 PolarHBondContact O-N 3.13Å; Q126-N128 PolarHBondContact O-N 3.28Å | ||
| 127 | R | 51.9 | Low | 65.9 | Low | 72 Ų | 72 | 85.4 Ų | 85.4 | 27% | 0.272 | 43% | 0.433 | S | S | . | . | trans | -58 | 107.6 | 167.5 | -89.5 | -167.7 | 166.2 | -176.8 | -6.9 | 109.3 | F125 S129 T135 L136 V138 P140 | F125-R127 HydrophobicContact CD1-CG 4.11Å; F125-R127 HydrophobicContact CE1-CB 4.43Å; F125-R127 HydrophobicContact CE1-CG 3.4Å; F125-R127 VanDerWaalsContact CE1-CG 3.4Å; F125-R127 HydrophobicContact CZ-CG 4.05Å; F125-R127 PolarHBondContact O-N 3.43Å; R127-S129 PolarHBondContact O-N 3.17Å; R127-T135 PolarHBondContact NH2-O 2.94Å; R127-L136 PolarHBondContact NH2-O 2.87Å; R127-V138 WeakPolarHBondContact CD-O 3.13Å; R127-V138 VanDerWaalsContact CZ-N 3.32Å; R127-V138 PolarHBondContact NE-O 2.85Å; R127-V138 PolarHBondContact NH1-O 2.97Å; R127-P140 HydrophobicContact CB-CB 4.33Å | ||
| 128 | N | 47.4 | Very low | 63.4 | Low | 124 Ų | 124 | 88.4 Ų | 88.4 | 66% | 0.663 | 45% | 0.453 | S | S | * | . | trans | -70.9 | 122.6 | 160.4 | -78.4 | -30.6 | 0 | 0 | 0 | 107.5 | Q126 F130 | Q126-N128 PolarHBondContact O-N 3.28Å; N128-F130 PolarHBondContact O-N 2.82Å | ||
| 129 | S | 45.4 | Very low | 60.9 | Low | 129 Ų | 129 | 93.1 Ų | 93.1 | 90% | 0.902 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 11 | -171.2 | -162.4 | 0 | 0 | 0 | 0 | 115.7 | R127 | R127-S129 PolarHBondContact O-N 3.17Š|
| 130 | F | 44.7 | Very low | 58.6 | Low | 198 Ų | 198 | 97 Ų | 97 | 87% | 0.868 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.9 | -13.3 | -168.2 | -134 | -96.7 | 0 | 0 | 0 | 115.7 | N128 | N128-F130 PolarHBondContact O-N 2.82Š|
| 131 | V | 45.2 | Very low | 56.6 | Low | 111 Ų | 111 | 97.9 Ų | 97.9 | 67% | 0.673 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -106.5 | -21.1 | -166.9 | -172.7 | 0 | 0 | 0 | 0 | 114.7 | ||
| 132 | F | 44.6 | Very low | 54.4 | Low | 138 Ų | 138 | 102.3 Ų | 102.3 | 61% | 0.605 | 54% | 0.538 | S | S | * | . | trans | -135 | 77.4 | -179.3 | -87.5 | -86.1 | 0 | 0 | 0 | 112 | Y134 T135 | F132-Y134 PolarHBondContact O-N 2.96Å; F132-T135 VanDerWaalsContact CD1-OG1 3.28Å; F132-T135 WeakPolarHBondContact CD1-OG1 3.45Å | ||
| 133 | Q | 44.8 | Very low | 52.9 | Low | 175 Ų | 175 | 102.5 Ų | 102.5 | 82% | 0.818 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -74.9 | -10.6 | 172.5 | -172.5 | 148.4 | 21.1 | 0 | 0 | 113.1 | ||
| 134 | Y | 46.3 | Very low | 52.3 | Low | 216 Ų | 216 | 106.5 Ų | 106.5 | 85% | 0.847 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -121 | -1 | -169.9 | -67.9 | -75 | 0 | 0 | 0 | 116.5 | F132 | F132-Y134 PolarHBondContact O-N 2.96Š|
| 135 | T | 44.8 | Very low | 52.5 | Low | 81 Ų | 81 | 108 Ų | 108 | 50% | 0.497 | 57% | 0.573 | S | S | . | * | S | Bend | trans | -103.4 | 130.8 | 171.8 | -50.3 | 0 | 0 | 0 | 0 | 108.9 | R127 F132 | R127-T135 PolarHBondContact NH2-O 2.94Å; F132-T135 VanDerWaalsContact CD1-OG1 3.28Å; F132-T135 WeakPolarHBondContact CD1-OG1 3.45Å |
| 136 | L | 43.2 | Very low | 53.4 | Low | 159 Ų | 159 | 107.5 Ų | 107.5 | 83% | 0.832 | 57% | 0.574 | S | S | * | * | trans | -31 | 140.6 | -178.6 | -114.6 | 110.9 | 0 | 0 | 0 | 112.7 | R127 V138 | R127-L136 PolarHBondContact NH2-O 2.87Å; L136-V138 VanDerWaalsContact C-N 3.29Å; L136-V138 PolarHBondContact O-N 2.76Å | ||
| 137 | A | 44.1 | Very low | 54.8 | Low | 90 Ų | 90 | 104.4 Ų | 104.4 | 74% | 0.744 | 58% | 0.576 | S | S | * | * | trans | -62 | 80.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L139 | A137-L139 PolarHBondContact O-N 3.46Š| ||
| 138 | V | 46 | Very low | 56.5 | Low | 92 Ų | 92 | 105 Ų | 105 | 56% | 0.558 | 58% | 0.582 | S | S | * | * | trans | -72.6 | 111.7 | 162.9 | -172.5 | 0 | 0 | 0 | 0 | 106.2 | R127 L136 | R127-V138 WeakPolarHBondContact CD-O 3.13Å; R127-V138 VanDerWaalsContact CZ-N 3.32Å; R127-V138 PolarHBondContact NE-O 2.85Å; R127-V138 PolarHBondContact NH1-O 2.97Å; L136-V138 VanDerWaalsContact C-N 3.29Å; L136-V138 PolarHBondContact O-N 2.76Å | ||
| 139 | L | 45.7 | Very low | 58.5 | Low | 148 Ų | 148 | 99.7 Ų | 99.7 | 78% | 0.775 | 56% | 0.555 | S | S | * | * | trans | -49.7 | 144.3 | 174.7 | -72.8 | 162.8 | 0 | 0 | 0 | 110.1 | A137 G141 | A137-L139 PolarHBondContact O-N 3.46Å; L139-G141 PolarHBondContact O-N 3.18Å | ||
| 140 | P | 49.3 | Very low | 60.8 | Low | 83 Ų | 83 | 96.9 Ų | 96.9 | 54% | 0.539 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -49.6 | 129 | 170.5 | 21.8 | -31.8 | 0 | 0 | 0 | 108.5 | R127 | R127-P140 HydrophobicContact CB-CB 4.33Š|
| 141 | G | 57 | Low | 63.2 | Low | 20 Ų | 20 | 87.5 Ų | 87.5 | 21% | 0.206 | 49% | 0.487 | C | S | . | . | B | Isolated β-bridge | trans | -177.1 | -174 | -160.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | F125 L139 S143 | F125-G141 CarbonylContact C-O 3.54Å; F125-G141 VanDerWaalsContact C-O 3.32Å; F125-G141 VanDerWaalsContact CA-O 3.25Å; F125-G141 WeakPolarHBondContact CA-O 3.23Å; F125-G141 VanDerWaalsContact CB-O 3.31Å; F125-G141 WeakPolarHBondContact CB-O 3.49Å; F125-G141 PolarHBondContact N-O 2.94Å; F125-G141 PolarHBondContact O-N 3.31Å; L139-G141 PolarHBondContact O-N 3.18Å; G141-S143 PolarHBondContact O-N 3.46Å |
| 142 | L | 51.7 | Low | 65.6 | Low | 93 Ų | 93 | 84 Ų | 84 | 49% | 0.487 | 46% | 0.463 | S | S | . | . | trans | -60.9 | 123.1 | 178.2 | -69.5 | -179.5 | 0 | 0 | 0 | 110.1 | F124 T179 | F124-L142 HydrophobicContact CD2-CD2 4.46Å; L142-T179 VanDerWaalsContact C-CG2 3.44Å; L142-T179 VanDerWaalsContact CA-CG2 3.41Å; L142-T179 HydrophobicContact CB-CG2 3.3Å; L142-T179 VanDerWaalsContact CD2-CB 3.45Å; L142-T179 HydrophobicContact CD2-CG2 3.88Å; L142-T179 HydrophobicContact CG-CG2 4.02Å | ||
| 143 | S | 62.9 | Low | 68.2 | Low | 6 Ų | 6 | 77.6 Ų | 77.6 | 4% | 0.042 | 44% | 0.435 | C | S | . | . | trans | -119.1 | 128.5 | 167.2 | -178.1 | 0 | 0 | 0 | 0 | 110.5 | G141 V145 E148 T179 | G141-S143 PolarHBondContact O-N 3.46Å; S143-V145 WeakPolarHBondContact OG-CB 3.34Å; S143-V145 PolarHBondContact OG-N 3.46Å; S143-E148 WeakPolarHBondContact CB-OE2 3.39Å; S143-E148 PolarHBondContact OG-OE2 2.73Å; S143-T179 VanDerWaalsContact C-CG2 3.47Å; S143-T179 VanDerWaalsContact N-CG2 3.26Å; S143-T179 VanDerWaalsContact O-CG2 3.32Å; S143-T179 WeakPolarHBondContact O-CG2 3.44Å | ||
| 144 | D | 76.6 | Confident | 70.7 | Confident | 85 Ų | 85 | 70.2 Ų | 70.2 | 46% | 0.455 | 40% | 0.4 | S | S | . | . | trans | -103.7 | 17.4 | 170.5 | -55.9 | -59.8 | 0 | 0 | 0 | 110.2 | G178 T179 | D144-G178 WeakPolarHBondContact OD1-CA 3.47Å; D144-T179 WeakPolarHBondContact OD1-CB 3.36Å; D144-T179 WeakPolarHBondContact OD1-CG2 3.36Å; D144-T179 PolarHBondContact OD1-N 3.15Å; D144-T179 PolarHBondContact OD1-OG1 2.83Å; D144-T179 PolarHBondContact OD2-OG1 2.89Å | ||
| 145 | V | 84.2 | Confident | 73.2 | Confident | 76 Ų | 76 | 60 Ų | 60 | 46% | 0.461 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -97.7 | 120.7 | -179.7 | -175.5 | 0 | 0 | 0 | 0 | 109.8 | S143 E148 | S143-V145 WeakPolarHBondContact OG-CB 3.34Å; S143-V145 PolarHBondContact OG-N 3.46Å; V145-E148 HydrophobicContact CB-CG 3.91Å; V145-E148 HydrophobicContact CG1-CG 4.01Å; V145-E148 PolarHBondContact O-N 3.39Å |
| 146 | P | 87.9 | Confident | 75.7 | Confident | 34 Ų | 34 | 56.3 Ų | 56.3 | 22% | 0.221 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 144.1 | 175.7 | -27.3 | 36.5 | 0 | 0 | 0 | 113 | M78 L82 E148 A175 | M78-P146 HydrophobicContact CE-CB 4.17Å; M78-P146 HydrophobicContact CE-CG 4.05Å; L82-P146 HydrophobicContact CD2-CG 3.78Å; L82-P146 HydrophobicContact CG-CG 4.47Å; P146-E148 VanDerWaalsContact C-N 3.28Å; P146-E148 PolarHBondContact O-N 3.29Å; P146-A175 HydrophobicContact CG-CB 4.12Å |
| 147 | G | 87.1 | Confident | 78.3 | Confident | 62 Ų | 62 | 50.5 Ų | 50.5 | 64% | 0.639 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.2 | -9.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | D173 | G147-D173 PolarHBondContact N-OD2 3Š|
| 148 | E | 87.2 | Confident | 80.9 | Confident | 85 Ų | 85 | 47.3 Ų | 47.3 | 40% | 0.397 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -82 | -37.5 | -177.3 | -73 | -162.2 | 168.5 | 0 | 0 | 113.5 | F125 S143 V145 P146 | F125-E148 HydrophobicContact CD2-CB 3.68Å; F125-E148 HydrophobicContact CD2-CG 4.45Å; F125-E148 HydrophobicContact CE2-CB 3.94Å; F125-E148 HydrophobicContact CE2-CG 4.35Å; S143-E148 WeakPolarHBondContact CB-OE2 3.39Å; S143-E148 PolarHBondContact OG-OE2 2.73Å; V145-E148 HydrophobicContact CB-CG 3.91Å; V145-E148 HydrophobicContact CG1-CG 4.01Å; V145-E148 PolarHBondContact O-N 3.39Å; P146-E148 VanDerWaalsContact C-N 3.28Å; P146-E148 PolarHBondContact O-N 3.29Å |
| 149 | S | 89.7 | Confident | 83.3 | Confident | 13 Ų | 13 | 47.7 Ų | 47.7 | 9% | 0.091 | 27% | 0.274 | C | S | . | . | trans | -157.5 | 143 | -177 | 67.6 | 0 | 0 | 0 | 0 | 113 | F124 G174 | F124-S149 WeakPolarHBondContact O-CB 3Å; F124-S149 PolarHBondContact O-OG 3.21Å; S149-G174 PolarHBondContact O-N 2.81Å | ||
| 150 | M | 93.7 | Very high | 85.6 | Confident | 70 Ų | 70 | 44.5 Ų | 44.5 | 35% | 0.345 | 26% | 0.257 | S | S | . | . | B | Isolated β-bridge | trans | -79.4 | 155.2 | 174.3 | -52.7 | -62.8 | 158.1 | 0 | 0 | 110.8 | K152 H170 T172 | M150-K152 WeakPolarHBondContact O-CE 3.33Å; M150-K152 PolarHBondContact O-N 3.41Å; M150-H170 WeakPolarHBondContact CG-O 3.22Å; M150-T172 CarbonylContact C-O 3.51Å; M150-T172 WeakPolarHBondContact CA-O 3.49Å |
| 151 | V | 95.8 | Very high | 87.8 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | trans | -51.5 | 137 | -178.5 | 68.5 | 0 | 0 | 0 | 0 | 112.4 | F21 P121 P164 T172 F177 | F21-V151 HydrophobicContact CD2-CG1 4.16Å; F21-V151 HydrophobicContact CD2-CG2 4.32Å; F21-V151 HydrophobicContact CE2-CG1 4.18Å; P121-V151 HydrophobicContact CB-CG2 3.86Å; V151-P164 HydrophobicContact CG1-CG 4.16Å; V151-P164 WeakPolarHBondContact O-CD 3.39Å; V151-P164 WeakPolarHBondContact O-CG 3.34Å; V151-T172 HydrophobicContact CG1-CG2 4.47Å; V151-T172 PolarHBondContact N-O 2.66Å; V151-F177 HydrophobicContact CB-CD2 4.03Å; V151-F177 HydrophobicContact CB-CE2 4.04Å; V151-F177 HydrophobicContact CG2-CD2 3.47Å; V151-F177 VanDerWaalsContact CG2-CD2 3.47Å; V151-F177 HydrophobicContact CG2-CE2 3.68Å; V151-F177 HydrophobicContact CG2-CG 4.13Å; V151-F177 HydrophobicContact CG2-CZ 4.49Å | ||
| 152 | K | 96 | Very high | 89.7 | Confident | 36 Ų | 36 | 43.7 Ų | 43.7 | 16% | 0.157 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 169.6 | 171.1 | -55.5 | -53.8 | 172.1 | -159.3 | 0 | 110.2 | P121 L122 F124 M150 N163 | P121-K152 CarbonylContact C-O 3.32Å; P121-K152 WeakPolarHBondContact CA-O 3.4Å; L122-K152 HydrophobicContact CD2-CB 4.45Å; L122-K152 PolarHBondContact N-O 3.21Å; L122-K152 PolarHBondContact O-N 3.16Å; F124-K152 HydrophobicContact CB-CB 4.41Å; F124-K152 HydrophobicContact CB-CG 3.84Å; M150-K152 WeakPolarHBondContact O-CE 3.33Å; M150-K152 PolarHBondContact O-N 3.41Å; K152-N163 WeakPolarHBondContact CD-OD1 3.2Å; K152-N163 WeakPolarHBondContact CE-OD1 3.46Å; K152-N163 PolarHBondContact NZ-OD1 2.78Å |
| 153 | L | 98 | Very high | 91.8 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 119 | 178.1 | -62.7 | 175.5 | 0 | 0 | 0 | 109.7 | F21 F106 M119 L120 L161 Y162 P164 | F21-L153 HydrophobicContact CE2-CD2 3.8Å; F21-L153 HydrophobicContact CZ-CD1 4.38Å; F21-L153 HydrophobicContact CZ-CD2 3.9Å; F106-L153 HydrophobicContact CB-CD2 4.39Å; F106-L153 WeakPolarHBondContact O-CD1 3.45Å; M119-L153 HydrophobicContact CB-CB 4.08Å; M119-L153 HydrophobicContact CE-CB 3.57Å; M119-L153 HydrophobicContact CE-CD1 3.4Å; M119-L153 VanDerWaalsContact CE-CD1 3.4Å; M119-L153 HydrophobicContact CE-CG 4.11Å; M119-L153 HydrophobicContact SD-CB 3.84Å; L120-L153 CarbonylContact O-C 3.54Å; L120-L153 WeakPolarHBondContact O-CA 3.17Å; L153-L161 CarbonylContact O-C 3.57Å; L153-L161 WeakPolarHBondContact O-CA 3.16Å; L153-Y162 PolarHBondContact N-O 2.53Å; L153-Y162 PolarHBondContact O-N 3.34Å; L153-P164 HydrophobicContact CD1-CB 4.27Å; L153-P164 HydrophobicContact CD1-CG 4.37Å; L153-P164 HydrophobicContact CG-CG 4.3Å |
| 154 | Y | 98.1 | Very high | 93.4 | Very high | 21 Ų | 21 | 44.3 Ų | 44.3 | 8% | 0.082 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 124.4 | 173.7 | 173.4 | -102.9 | 0 | 0 | 0 | 110.6 | M119 L120 P156 M159 L161 P182 F186 | M119-Y154 CarbonylContact C-O 3.58Å; M119-Y154 WeakPolarHBondContact CA-O 3.25Å; M119-Y154 WeakPolarHBondContact CB-O 3.41Å; L120-Y154 PolarHBondContact N-O 2.86Å; L120-Y154 PolarHBondContact O-N 3.24Å; Y154-P156 HydrophobicContact CD1-CB 4.48Å; Y154-P156 HydrophobicContact CE1-CB 3.89Å; Y154-P156 WeakPolarHBondContact O-CD 3.41Å; Y154-M159 HydrophobicContact CE2-CB 4.48Å; Y154-L161 HydrophobicContact CD2-CD2 3.87Å; Y154-L161 HydrophobicContact CG-CD2 4.36Å; Y154-P182 HydrophobicContact CD1-CB 3.53Å; Y154-P182 HydrophobicContact CD1-CG 4.21Å; Y154-P182 HydrophobicContact CE1-CB 4.1Å; Y154-P182 HydrophobicContact CG-CB 4.09Å; Y154-P182 HydrophobicContact CG-CG 4.34Å; Y154-F186 HydrophobicContact CE1-CD2 4.47Å; Y154-F186 HydrophobicContact CE1-CE2 4.01Å |
| 155 | C | 98.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 116.7 | 170.4 | 176.6 | 0 | 0 | 0 | 0 | 110.4 | C109 M119 R157 C158 M159 D160 Y162 | C109-C155 HydrophobicContact CB-CB 4.08Å; C109-C155 VanDerWaalsContact CB-SG 3.57Å; M119-C155 HydrophobicContact CG-CB 4.12Å; M119-C155 HydrophobicContact SD-CB 4.15Å; C155-R157 PolarHBondContact O-N 2.84Å; C155-C158 VanDerWaalsContact CB-SG 3.5Å; C155-C158 PolarHBondContact SG-SG 3.4Å; C155-M159 WeakPolarHBondContact O-CA 3.44Å; C155-M159 PolarHBondContact O-N 2.71Å; C155-D160 PolarHBondContact N-O 2.75Å; C155-Y162 HydrophobicContact CB-CD2 4.19Å; C155-Y162 HydrophobicContact CB-CE2 3.72Å |
| 156 | P | 98.1 | Very high | 94.9 | Very high | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.032 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -16.3 | -179.3 | 28.8 | -35.7 | 0 | 0 | 0 | 114.1 | W101 Q117 Q118 Y154 F186 P194 | W101-P156 HydrophobicContact CZ2-CG 4.01Å; Q117-P156 HydrophobicContact CG-CG 4.1Å; Q118-P156 WeakPolarHBondContact O-CD 3.06Å; Y154-P156 HydrophobicContact CD1-CB 4.48Å; Y154-P156 HydrophobicContact CE1-CB 3.89Å; Y154-P156 WeakPolarHBondContact O-CD 3.41Å; P156-F186 HydrophobicContact CB-CE1 4.3Å; P156-F186 HydrophobicContact CB-CE2 3.5Å; P156-F186 HydrophobicContact CB-CZ 3.36Å; P156-F186 HydrophobicContact CG-CE2 4.33Å; P156-F186 HydrophobicContact CG-CZ 3.86Å; P156-P194 HydrophobicContact CB-CG 3.88Å; P156-P194 HydrophobicContact CG-CG 3.93Å |
| 157 | R | 97.6 | Very high | 95.2 | Very high | 36 Ų | 36 | 48.7 Ų | 48.7 | 14% | 0.136 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -48.9 | -178.7 | -175.1 | 164.1 | -168.8 | -171.6 | 2.9 | 112.8 | C114 E115 Q117 C155 P194 K195 P197 | C114-R157 PolarHBondContact O-NH1 3.25Å; E115-R157 IonicContact OE1-NH2 3.46Å; E115-R157 IonicContact OE2-CZ 3.76Å; E115-R157 VanDerWaalsContact OE2-CZ 3.23Å; E115-R157 IonicContact OE2-NH1 2.66Å; E115-R157 PolarHBondContact OE2-NH1 2.94Å; E115-R157 IonicContact OE2-NH2 3.54Å; E115-R157 PolarHBondContact OE2-NH2 3.41Å; Q117-R157 HydrophobicContact CB-CB 3.97Å; Q117-R157 HydrophobicContact CG-CB 3.6Å; C155-R157 PolarHBondContact O-N 2.84Å; R157-P194 HydrophobicContact CB-CB 4.34Å; R157-P194 HydrophobicContact CB-CG 3.92Å; R157-K195 WeakPolarHBondContact CG-O 3.15Å; R157-K195 PolarHBondContact NE-O 2.91Å; R157-P197 HydrophobicContact CG-CG 3.97Å; R157-P197 WeakPolarHBondContact O-CD 3.29Å |
| 158 | C | 97.2 | Very high | 95.7 | Very high | 24 Ų | 24 | 49.3 Ų | 49.3 | 16% | 0.162 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -10 | 174.8 | 63.9 | 0 | 0 | 0 | 0 | 114.4 | C114 C155 Y162 | C114-C158 VanDerWaalsContact SG-CB 3.53Å; C155-C158 VanDerWaalsContact CB-SG 3.5Å; C155-C158 PolarHBondContact SG-SG 3.4Å; C158-Y162 PolarHBondContact SG-OH 3.44Å |
| 159 | M | 96.5 | Very high | 96.1 | Very high | 100 Ų | 100 | 46 Ų | 46 | 49% | 0.493 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 48.6 | 179.8 | -54.4 | 176.9 | 62.5 | 0 | 0 | 112.7 | Y154 C155 R196 | Y154-M159 HydrophobicContact CE2-CB 4.48Å; C155-M159 WeakPolarHBondContact O-CA 3.44Å; C155-M159 PolarHBondContact O-N 2.71Å; M159-R196 PolarHBondContact SD-NH2 2.74Å |
| 160 | D | 95.8 | Very high | 96.4 | Very high | 81 Ų | 81 | 49.4 Ų | 49.4 | 43% | 0.433 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 164.8 | -174.5 | -157 | -3.7 | 0 | 0 | 0 | 110.5 | C155 Y162 | C155-D160 PolarHBondContact N-O 2.75Å; D160-Y162 HydrophobicContact CB-CE2 4.3Å |
| 161 | L | 95.2 | Very high | 96.4 | Very high | 48 Ų | 48 | 53.3 Ų | 53.3 | 25% | 0.251 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 145.3 | -172.3 | -59.4 | -176.8 | 0 | 0 | 0 | 112.7 | L122 F124 L153 Y154 | L122-L161 HydrophobicContact CD1-CD2 4.37Å; L122-L161 HydrophobicContact CD2-CD1 3.9Å; L122-L161 HydrophobicContact CD2-CD2 3.73Å; L122-L161 HydrophobicContact CD2-CG 4.48Å; F124-L161 HydrophobicContact CB-CD1 3.82Å; F124-L161 HydrophobicContact CD1-CD1 3.97Å; F124-L161 HydrophobicContact CD2-CD1 3.4Å; F124-L161 HydrophobicContact CE1-CD1 4.39Å; F124-L161 HydrophobicContact CE2-CD1 3.89Å; F124-L161 HydrophobicContact CG-CD1 3.44Å; F124-L161 VanDerWaalsContact CG-CD1 3.44Å; F124-L161 HydrophobicContact CZ-CD1 4.36Å; L153-L161 CarbonylContact O-C 3.57Å; L153-L161 WeakPolarHBondContact O-CA 3.16Å; Y154-L161 HydrophobicContact CD2-CD2 3.87Å; Y154-L161 HydrophobicContact CG-CD2 4.36Å |
| 162 | Y | 96.5 | Very high | 96.4 | Very high | 37 Ų | 37 | 53.8 Ų | 53.8 | 15% | 0.145 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 152.1 | 179.8 | -58.5 | -77.4 | 0 | 0 | 0 | 111.3 | P110 R111 M119 L153 C155 C158 D160 | P110-Y162 HydrophobicContact CG-CD1 3.24Å; P110-Y162 HydrophobicContact CG-CD2 4.41Å; P110-Y162 HydrophobicContact CG-CE1 3.63Å; P110-Y162 HydrophobicContact CG-CG 3.71Å; R111-Y162 WeakPolarHBondContact CD-OH 3.35Å; R111-Y162 HydrophobicContact CG-CE1 4.29Å; R111-Y162 WeakPolarHBondContact CG-OH 3.45Å; M119-Y162 HydrophobicContact SD-CD2 3.63Å; M119-Y162 HydrophobicContact SD-CE2 4.46Å; M119-Y162 HydrophobicContact SD-CG 4.28Å; L153-Y162 PolarHBondContact N-O 2.53Å; L153-Y162 PolarHBondContact O-N 3.34Å; C155-Y162 HydrophobicContact CB-CD2 4.19Å; C155-Y162 HydrophobicContact CB-CE2 3.72Å; C158-Y162 PolarHBondContact SG-OH 3.44Å; D160-Y162 HydrophobicContact CB-CE2 4.3Å |
| 163 | N | 95.9 | Very high | 96.4 | Very high | 106 Ų | 106 | 52.7 Ų | 52.7 | 57% | 0.567 | 27% | 0.271 | S | S | * | . | trans | -74.1 | 145.4 | 166.4 | -68.4 | -48.7 | 0 | 0 | 0 | 110.1 | K152 K165 | K152-N163 WeakPolarHBondContact CD-OD1 3.2Å; K152-N163 WeakPolarHBondContact CE-OD1 3.46Å; K152-N163 PolarHBondContact NZ-OD1 2.78Å; N163-K165 PolarHBondContact O-N 2.89Å | ||
| 164 | P | 96.7 | Very high | 96.3 | Very high | 6 Ų | 6 | 52.5 Ų | 52.5 | 4% | 0.039 | 27% | 0.27 | C | S | . | . | trans | -53.7 | 136.9 | 167.3 | -24.2 | 33.5 | 0 | 0 | 0 | 111.4 | F21 V151 L153 H169 H170 | F21-P164 HydrophobicContact CE2-CG 4.25Å; V151-P164 HydrophobicContact CG1-CG 4.16Å; V151-P164 WeakPolarHBondContact O-CD 3.39Å; V151-P164 WeakPolarHBondContact O-CG 3.34Å; L153-P164 HydrophobicContact CD1-CB 4.27Å; L153-P164 HydrophobicContact CD1-CG 4.37Å; L153-P164 HydrophobicContact CG-CG 4.3Å; P164-H169 HydrophobicContact CB-CB 3.61Å; P164-H169 HydrophobicContact CG-CB 4.02Å; P164-H170 PolarHBondContact O-NE2 3.5Å | ||
| 165 | K | 95.4 | Very high | 96.1 | Very high | 151 Ų | 151 | 51.7 Ų | 51.7 | 66% | 0.657 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -70 | -38.2 | -177.9 | -67.7 | -176.3 | -175.1 | 174.5 | 0 | 112.3 | H108 N163 | H108-K165 PolarHBondContact O-NZ 2.84Å; N163-K165 PolarHBondContact O-N 2.89Å |
| 166 | S | 95.5 | Very high | 96.1 | Very high | 49 Ų | 49 | 53.4 Ų | 53.4 | 34% | 0.343 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -87.4 | 136.9 | -179.3 | -168 | 0 | 0 | 0 | 0 | 110.3 | K168 H169 H170 | S166-K168 PolarHBondContact O-N 2.86Å; S166-K168 WeakPolarHBondContact OG-CG 3.38Å; S166-H169 PolarHBondContact O-N 3.49Å; S166-H170 PolarHBondContact O-CD2 3.36Å; S166-H170 PolarHBondContact O-NE2 3.3Å |
| 167 | S | 95.8 | Very high | 96.1 | Very high | 87 Ų | 87 | 53.2 Ų | 53.2 | 61% | 0.608 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -65.9 | -19.1 | 176.9 | 53.8 | 0 | 0 | 0 | 0 | 113.7 | H169 H170 | S167-H169 PolarHBondContact O-N 2.83Å; S167-H170 WeakPolarHBondContact O-CB 3.37Å; S167-H170 PolarHBondContact O-N 3.48Å |
| 168 | K | 96.1 | Very high | 95.9 | Very high | 76 Ų | 76 | 51.8 Ų | 51.8 | 33% | 0.33 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -61.9 | -24.4 | 177.3 | 74.1 | -174.7 | -177.3 | 167.1 | 0 | 113.1 | R17 G18 E20 S166 | R17-K168 HydrophobicContact CG-CD 4.38Å; G18-K168 WeakPolarHBondContact CA-O 3.38Å; E20-K168 VanDerWaalsContact OE1-CE 3.29Å; E20-K168 WeakPolarHBondContact OE1-CE 3.39Å; E20-K168 IonicContact OE1-NZ 2.73Å; E20-K168 PolarHBondContact OE1-NZ 2.81Å; E20-K168 WeakPolarHBondContact OE2-CE 3.35Å; E20-K168 IonicContact OE2-NZ 3.23Å; S166-K168 PolarHBondContact O-N 2.86Å; S166-K168 WeakPolarHBondContact OG-CG 3.38Å |
| 169 | H | 96.7 | Very high | 95.7 | Very high | 14 Ų | 14 | 51.3 Ų | 51.3 | 7% | 0.065 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -94.8 | 0.9 | 179.1 | -58.6 | 127.4 | 0 | 0 | 0 | 113 | G18 E20 F21 P164 S166 S167 L171 | G18-H169 PolarHBondContact O-CD2 3.33Å; E20-H169 IonicContact OE2-CD2 2.75Å; E20-H169 PolarHBondContact OE2-CD2 3.13Å; E20-H169 IonicContact OE2-CE1 2.78Å; E20-H169 IonicContact OE2-NE2 2.81Å; E20-H169 PolarHBondContact OE2-NE2 2.84Å; F21-H169 AromaticContact CE1-CE1 3.65Å; F21-H169 AromaticContact CE1-NE2 3.72Å; F21-H169 HydrophobicContact CE2-CB 4.06Å; F21-H169 AromaticContact CE2-CG 3.9Å; F21-H169 HydrophobicContact CZ-CB 4.27Å; F21-H169 AromaticContact CZ-CD2 3.93Å; F21-H169 AromaticContact CZ-CE1 3.74Å; F21-H169 AromaticContact CZ-CG 3.72Å; F21-H169 AromaticContact CZ-ND1 3.64Å; F21-H169 AromaticContact CZ-NE2 3.96Å; P164-H169 HydrophobicContact CB-CB 3.61Å; P164-H169 HydrophobicContact CG-CB 4.02Å; S166-H169 PolarHBondContact O-N 3.49Å; S167-H169 PolarHBondContact O-N 2.83Å; H169-L171 VanDerWaalsContact C-N 3.27Å; H169-L171 PolarHBondContact O-N 2.85Å |
| 170 | H | 94.8 | Very high | 95.5 | Very high | 86 Ų | 86 | 47.9 Ų | 47.9 | 40% | 0.398 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -10.2 | -174.7 | -68.9 | 178.3 | 0 | 0 | 0 | 113.7 | M150 P164 S166 S167 | M150-H170 WeakPolarHBondContact CG-O 3.22Å; P164-H170 PolarHBondContact O-NE2 3.5Å; S166-H170 PolarHBondContact O-CD2 3.36Å; S166-H170 PolarHBondContact O-NE2 3.3Å; S167-H170 WeakPolarHBondContact O-CB 3.37Å; S167-H170 PolarHBondContact O-N 3.48Å |
| 171 | L | 94.7 | Very high | 95.6 | Very high | 152 Ų | 152 | 44 Ų | 44 | 80% | 0.796 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.1 | -4.9 | 179.1 | -59.9 | 178.4 | 0 | 0 | 0 | 113 | H169 D173 | H169-L171 VanDerWaalsContact C-N 3.27Å; H169-L171 PolarHBondContact O-N 2.85Å; L171-D173 PolarHBondContact O-N 3.24Å |
| 172 | T | 96.2 | Very high | 95.7 | Very high | 11 Ų | 11 | 41.8 Ų | 41.8 | 7% | 0.067 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -77 | 124.2 | 177.8 | -42.8 | 0 | 0 | 0 | 0 | 109.7 | G18 F22 M150 V151 F177 | G18-T172 PolarHBondContact O-OG1 3.03Å; F22-T172 HydrophobicContact CE2-CG2 3.65Å; F22-T172 HydrophobicContact CZ-CG2 3.8Å; M150-T172 CarbonylContact C-O 3.51Å; M150-T172 WeakPolarHBondContact CA-O 3.49Å; V151-T172 HydrophobicContact CG1-CG2 4.47Å; V151-T172 PolarHBondContact N-O 2.66Å; T172-F177 HydrophobicContact CG2-CE2 3.77Å; T172-F177 HydrophobicContact CG2-CZ 4.29Å |
| 173 | D | 95.5 | Very high | 95.7 | Very high | 13 Ų | 13 | 44.1 Ų | 44.1 | 7% | 0.07 | 24% | 0.236 | C | C | . | . | B | Isolated β-bridge | trans | -66.1 | 135.7 | -179.6 | -156.5 | -58.7 | 0 | 0 | 0 | 111.6 | G147 L171 A175 Y176 | G147-D173 PolarHBondContact N-OD2 3Å; L171-D173 PolarHBondContact O-N 3.24Å; D173-A175 VanDerWaalsContact C-N 3.3Å; D173-A175 VanDerWaalsContact OD1-CB 3.23Å; D173-A175 WeakPolarHBondContact OD1-CB 3.33Å; D173-A175 PolarHBondContact OD1-N 3.33Å; D173-Y176 HydrophobicContact CB-CD1 4.25Å; D173-Y176 HydrophobicContact CB-CD2 3.63Å; D173-Y176 HydrophobicContact CB-CE1 4.11Å; D173-Y176 HydrophobicContact CB-CE2 3.49Å; D173-Y176 VanDerWaalsContact CB-CE2 3.49Å; D173-Y176 HydrophobicContact CB-CG 4.02Å; D173-Y176 PolarHBondContact O-N 3.26Å |
| 174 | G | 95.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -70.3 | -27.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | G123 S149 Y176 F177 G178 | G123-G174 WeakPolarHBondContact CA-O 3.33Å; G123-G174 PolarHBondContact N-O 3.09Å; S149-G174 PolarHBondContact O-N 2.81Å; G174-Y176 PolarHBondContact O-N 3.43Å; G174-Y176 VanDerWaalsContact O-N 3.17Å; G174-F177 PolarHBondContact O-N 3.07Å; G174-F177 VanDerWaalsContact O-N 3.13Å; G174-G178 PolarHBondContact O-N 2.89Å |
| 175 | A | 94.7 | Very high | 95.9 | Very high | 3 Ų | 3 | 42.6 Ų | 42.6 | 3% | 0.025 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -60 | -25.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A85 P146 D173 F177 G178 | A85-A175 VanDerWaalsContact CB-O 3.25Å; A85-A175 WeakPolarHBondContact CB-O 3.43Å; P146-A175 HydrophobicContact CG-CB 4.12Å; D173-A175 VanDerWaalsContact C-N 3.3Å; D173-A175 VanDerWaalsContact OD1-CB 3.23Å; D173-A175 WeakPolarHBondContact OD1-CB 3.33Å; D173-A175 PolarHBondContact OD1-N 3.33Å; A175-F177 PolarHBondContact O-N 3.19Å; A175-G178 PolarHBondContact O-N 2.69Å |
| 176 | Y | 97.7 | Very high | 96 | Very high | 36 Ų | 36 | 35.6 Ų | 35.6 | 14% | 0.141 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -75.2 | -7.4 | -179.8 | -54.8 | -21.5 | 0 | 0 | 0 | 114.6 | F22 M78 G81 L82 H84 A85 D173 G174 | F22-Y176 HydrophobicContact CE1-CD2 4.5Å; F22-Y176 HydrophobicContact CZ-CD2 4.04Å; M78-Y176 WeakPolarHBondContact CA-OH 3.49Å; G81-Y176 VanDerWaalsContact C-CD1 3.41Å; G81-Y176 VanDerWaalsContact CA-CD1 3.47Å; G81-Y176 VanDerWaalsContact O-CA 3.24Å; G81-Y176 WeakPolarHBondContact O-CA 3.32Å; G81-Y176 WeakPolarHBondContact O-CB 3.45Å; L82-Y176 HydrophobicContact CD2-CD1 4.48Å; L82-Y176 HydrophobicContact CG-CE1 4.41Å; H84-Y176 PolarHBondContact ND1-O 3.33Å; A85-Y176 WeakPolarHBondContact CA-O 3.35Å; A85-Y176 PolarHBondContact N-O 2.99Å; D173-Y176 HydrophobicContact CB-CD1 4.25Å; D173-Y176 HydrophobicContact CB-CD2 3.63Å; D173-Y176 HydrophobicContact CB-CE1 4.11Å; D173-Y176 HydrophobicContact CB-CE2 3.49Å; D173-Y176 VanDerWaalsContact CB-CE2 3.49Å; D173-Y176 HydrophobicContact CB-CG 4.02Å; D173-Y176 PolarHBondContact O-N 3.26Å; G174-Y176 PolarHBondContact O-N 3.43Å; G174-Y176 VanDerWaalsContact O-N 3.17Å |
| 177 | F | 97.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 40 Ų | 40 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | -16.9 | 170.8 | -59.9 | -85 | 0 | 0 | 0 | 111.7 | F21 F22 H84 I88 M97 P121 V151 T172 G174 A175 F181 | F21-F177 HydrophobicContact CB-CE1 3.72Å; F21-F177 HydrophobicContact CB-CZ 3.53Å; F21-F177 WeakPolarHBondContact O-CE1 3.41Å; F22-F177 HydrophobicContact CD1-CZ 4.36Å; F22-F177 HydrophobicContact CD2-CZ 4.46Å; F22-F177 HydrophobicContact CE1-CZ 4.17Å; F22-F177 HydrophobicContact CE2-CZ 4.29Å; F22-F177 HydrophobicContact CG-CZ 4.5Å; F22-F177 HydrophobicContact CZ-CE2 4.33Å; F22-F177 HydrophobicContact CZ-CZ 4.14Å; H84-F177 AromaticContact CE1-CD1 3.86Å; H84-F177 AromaticContact CE1-CE1 3.72Å; I88-F177 HydrophobicContact CD1-CB 4.31Å; I88-F177 HydrophobicContact CD1-CD1 4.28Å; I88-F177 WeakPolarHBondContact CD1-O 3.5Å; M97-F177 HydrophobicContact CE-CD1 4.48Å; P121-F177 HydrophobicContact CB-CB 4.4Å; P121-F177 HydrophobicContact CB-CD1 3.49Å; P121-F177 VanDerWaalsContact CB-CD1 3.49Å; P121-F177 HydrophobicContact CB-CD2 4.39Å; P121-F177 HydrophobicContact CB-CE1 3.81Å; P121-F177 HydrophobicContact CB-CG 3.81Å; P121-F177 HydrophobicContact CB-CZ 4.4Å; P121-F177 HydrophobicContact CG-CD1 3.48Å; P121-F177 VanDerWaalsContact CG-CD1 3.48Å; P121-F177 HydrophobicContact CG-CE1 3.8Å; P121-F177 HydrophobicContact CG-CG 4.25Å; V151-F177 HydrophobicContact CB-CD2 4.03Å; V151-F177 HydrophobicContact CB-CE2 4.04Å; V151-F177 HydrophobicContact CG2-CD2 3.47Å; V151-F177 VanDerWaalsContact CG2-CD2 3.47Å; V151-F177 HydrophobicContact CG2-CE2 3.68Å; V151-F177 HydrophobicContact CG2-CG 4.13Å; V151-F177 HydrophobicContact CG2-CZ 4.49Å; T172-F177 HydrophobicContact CG2-CE2 3.77Å; T172-F177 HydrophobicContact CG2-CZ 4.29Å; G174-F177 PolarHBondContact O-N 3.07Å; G174-F177 VanDerWaalsContact O-N 3.13Å; A175-F177 PolarHBondContact O-N 3.19Å; F177-F181 WeakPolarHBondContact O-CB 3.14Å |
| 178 | G | 93.6 | Very high | 96.2 | Very high | 7 Ų | 7 | 38.2 Ų | 38.2 | 7% | 0.072 | 20% | 0.198 | C | C | . | . | trans | 61.6 | 176.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | G123 D144 G174 A175 | G123-G178 PolarHBondContact N-O 3.18Å; D144-G178 WeakPolarHBondContact OD1-CA 3.47Å; G174-G178 PolarHBondContact O-N 2.89Å; A175-G178 PolarHBondContact O-N 2.69Å | ||
| 179 | T | 93 | Very high | 96.3 | Very high | 14 Ų | 14 | 37.2 Ų | 37.2 | 9% | 0.086 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -97.2 | -24.1 | -168.1 | 59.6 | 0 | 0 | 0 | 0 | 113.3 | G123 L142 S143 D144 | G123-T179 WeakPolarHBondContact O-CG2 3.37Å; L142-T179 VanDerWaalsContact C-CG2 3.44Å; L142-T179 VanDerWaalsContact CA-CG2 3.41Å; L142-T179 HydrophobicContact CB-CG2 3.3Å; L142-T179 VanDerWaalsContact CD2-CB 3.45Å; L142-T179 HydrophobicContact CD2-CG2 3.88Å; L142-T179 HydrophobicContact CG-CG2 4.02Å; S143-T179 VanDerWaalsContact C-CG2 3.47Å; S143-T179 VanDerWaalsContact N-CG2 3.26Å; S143-T179 VanDerWaalsContact O-CG2 3.32Å; S143-T179 WeakPolarHBondContact O-CG2 3.44Å; D144-T179 WeakPolarHBondContact OD1-CB 3.36Å; D144-T179 WeakPolarHBondContact OD1-CG2 3.36Å; D144-T179 PolarHBondContact OD1-N 3.15Å; D144-T179 PolarHBondContact OD1-OG1 2.83Å; D144-T179 PolarHBondContact OD2-OG1 2.89Å |
| 180 | G | 92.6 | Very high | 96.4 | Very high | 28 Ų | 28 | 40.3 Ų | 40.3 | 29% | 0.289 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -90 | -14 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115 | H183 M184 | G180-H183 WeakPolarHBondContact O-CB 3.43Å; G180-H183 PolarHBondContact O-N 2.83Å; G180-M184 PolarHBondContact O-N 3.49Å |
| 181 | F | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -54.8 | -56 | -166.2 | 161.3 | -111.3 | 0 | 0 | 0 | 114.4 | I88 L89 M97 L120 P121 F177 H183 M184 L185 | I88-F181 HydrophobicContact CB-CD2 3.89Å; I88-F181 HydrophobicContact CB-CE2 4.1Å; I88-F181 HydrophobicContact CD1-CB 3.8Å; I88-F181 HydrophobicContact CD1-CD1 3.88Å; I88-F181 HydrophobicContact CD1-CD2 3.74Å; I88-F181 HydrophobicContact CD1-CE1 4.47Å; I88-F181 HydrophobicContact CD1-CE2 4.34Å; I88-F181 HydrophobicContact CD1-CG 3.49Å; I88-F181 VanDerWaalsContact CD1-CG 3.49Å; I88-F181 HydrophobicContact CG1-CB 4.12Å; I88-F181 HydrophobicContact CG1-CD2 3.71Å; I88-F181 HydrophobicContact CG1-CE2 4.38Å; I88-F181 HydrophobicContact CG1-CG 3.92Å; I88-F181 VanDerWaalsContact O-CD2 3.22Å; I88-F181 WeakPolarHBondContact O-CD2 3.25Å; L89-F181 HydrophobicContact CD2-CB 4.17Å; M97-F181 HydrophobicContact CB-CE1 4.5Å; M97-F181 HydrophobicContact CB-CE2 3.9Å; M97-F181 HydrophobicContact CB-CZ 3.49Å; M97-F181 VanDerWaalsContact CB-CZ 3.49Å; M97-F181 HydrophobicContact CE-CE1 3.93Å; M97-F181 HydrophobicContact CE-CZ 4.02Å; M97-F181 HydrophobicContact CG-CE2 4.12Å; M97-F181 HydrophobicContact CG-CZ 3.92Å; L120-F181 HydrophobicContact CB-CE1 4.23Å; L120-F181 HydrophobicContact CD2-CE1 3.99Å; L120-F181 HydrophobicContact CD2-CZ 4.15Å; P121-F181 HydrophobicContact CG-CE1 4.23Å; P121-F181 WeakPolarHBondContact O-CD1 3.28Å; F177-F181 WeakPolarHBondContact O-CB 3.14Å; F181-H183 PolarHBondContact O-N 3.01Å; F181-H183 VanDerWaalsContact O-N 3.17Å; F181-M184 PolarHBondContact O-N 3.19Å; F181-M184 VanDerWaalsContact O-N 3.16Å; F181-L185 HydrophobicContact CE2-CB 4.35Å; F181-L185 HydrophobicContact CE2-CD1 4.04Å; F181-L185 HydrophobicContact CZ-CD1 3.73Å; F181-L185 PolarHBondContact O-N 3.22Å |
| 182 | P | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.6 | -32.9 | -179.9 | -23.6 | 33.9 | 0 | 0 | 0 | 112.8 | L120 P121 L122 Y154 F186 | L120-P182 HydrophobicContact CB-CB 4.23Å; L120-P182 HydrophobicContact CB-CG 4.05Å; L120-P182 HydrophobicContact CD1-CB 3.99Å; P121-P182 WeakPolarHBondContact O-CG 3.25Å; L122-P182 HydrophobicContact CB-CG 3.96Å; L122-P182 HydrophobicContact CD1-CG 3.91Å; Y154-P182 HydrophobicContact CD1-CB 3.53Å; Y154-P182 HydrophobicContact CD1-CG 4.21Å; Y154-P182 HydrophobicContact CE1-CB 4.1Å; Y154-P182 HydrophobicContact CG-CB 4.09Å; Y154-P182 HydrophobicContact CG-CG 4.34Å; P182-F186 WeakPolarHBondContact O-CD2 3.31Å; P182-F186 PolarHBondContact O-N 2.77Å |
| 183 | H | 96.6 | Very high | 96.7 | Very high | 87 Ų | 87 | 43.8 Ų | 43.8 | 40% | 0.403 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -69.2 | -45.6 | 178.9 | -55.9 | -48.5 | 0 | 0 | 0 | 111.1 | G180 F181 L185 F186 M187 | G180-H183 WeakPolarHBondContact O-CB 3.43Å; G180-H183 PolarHBondContact O-N 2.83Å; F181-H183 PolarHBondContact O-N 3.01Å; F181-H183 VanDerWaalsContact O-N 3.17Å; H183-L185 VanDerWaalsContact C-N 3.34Å; H183-L185 PolarHBondContact O-N 3.38Å; H183-F186 PolarHBondContact O-N 2.97Å; H183-M187 WeakPolarHBondContact O-CG 3.08Å; H183-M187 PolarHBondContact O-N 3.01Å |
| 184 | M | 97.8 | Very high | 96.8 | Very high | 80 Ų | 80 | 44.7 Ų | 44.7 | 39% | 0.394 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.4 | -44.7 | 176.3 | -171.7 | 59.6 | 179.5 | 0 | 0 | 111.1 | L89 I94 G180 F181 F186 M187 V188 | L89-M184 HydrophobicContact CD2-CB 3.88Å; L89-M184 HydrophobicContact CD2-CG 4.2Å; I94-M184 HydrophobicContact CD1-CG 3.97Å; G180-M184 PolarHBondContact O-N 3.49Å; F181-M184 PolarHBondContact O-N 3.19Å; F181-M184 VanDerWaalsContact O-N 3.16Å; M184-F186 VanDerWaalsContact C-N 3.33Å; M184-F186 PolarHBondContact O-N 2.89Å; M184-M187 WeakPolarHBondContact O-CB 3.43Å; M184-M187 PolarHBondContact O-N 3.21Å; M184-V188 HydrophobicContact CE-CG2 3.89Å; M184-V188 HydrophobicContact CG-CG2 4.49Å; M184-V188 WeakPolarHBondContact O-CG2 3.41Å; M184-V188 PolarHBondContact O-N 3.43Å; M184-V188 HydrophobicContact SD-CG2 4.4Å |
| 185 | L | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -52.8 | -48.3 | 175.8 | -177.1 | 156.4 | 0 | 0 | 0 | 111.7 | I94 V98 L120 F181 H183 M187 V188 H189 | I94-L185 HydrophobicContact CG2-CB 4.5Å; I94-L185 HydrophobicContact CG2-CG 4.17Å; V98-L185 HydrophobicContact CG2-CD1 3.67Å; V98-L185 HydrophobicContact CG2-CD2 4.33Å; V98-L185 HydrophobicContact CG2-CG 3.95Å; L120-L185 HydrophobicContact CD1-CD1 3.97Å; L120-L185 HydrophobicContact CD1-CD2 4.32Å; L120-L185 HydrophobicContact CD2-CD1 3.99Å; F181-L185 HydrophobicContact CE2-CB 4.35Å; F181-L185 HydrophobicContact CE2-CD1 4.04Å; F181-L185 HydrophobicContact CZ-CD1 3.73Å; F181-L185 PolarHBondContact O-N 3.22Å; H183-L185 VanDerWaalsContact C-N 3.34Å; H183-L185 PolarHBondContact O-N 3.38Å; L185-M187 VanDerWaalsContact C-N 3.32Å; L185-M187 PolarHBondContact O-N 3.4Å; L185-V188 PolarHBondContact O-N 2.89Å; L185-H189 PolarHBondContact O-N 3.46Å |
| 186 | F | 98.1 | Very high | 96.9 | Very high | 3 Ų | 3 | 62 Ų | 62 | 1% | 0.013 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -78.9 | -11.2 | 178.9 | -64.5 | -61.9 | 0 | 0 | 0 | 114.7 | W101 L120 Y154 P156 P182 H183 M184 P190 L192 R193 | W101-F186 HydrophobicContact CH2-CE1 4.23Å; W101-F186 HydrophobicContact CH2-CZ 4.39Å; W101-F186 HydrophobicContact CZ2-CZ 4.38Å; L120-F186 HydrophobicContact CD1-CE2 3.75Å; L120-F186 HydrophobicContact CD1-CZ 3.86Å; Y154-F186 HydrophobicContact CE1-CD2 4.47Å; Y154-F186 HydrophobicContact CE1-CE2 4.01Å; P156-F186 HydrophobicContact CB-CE1 4.3Å; P156-F186 HydrophobicContact CB-CE2 3.5Å; P156-F186 HydrophobicContact CB-CZ 3.36Å; P156-F186 HydrophobicContact CG-CE2 4.33Å; P156-F186 HydrophobicContact CG-CZ 3.86Å; P182-F186 WeakPolarHBondContact O-CD2 3.31Å; P182-F186 PolarHBondContact O-N 2.77Å; H183-F186 PolarHBondContact O-N 2.97Å; M184-F186 VanDerWaalsContact C-N 3.33Å; M184-F186 PolarHBondContact O-N 2.89Å; F186-P190 VanDerWaalsContact O-CA 3.3Å; F186-P190 WeakPolarHBondContact O-CA 3.35Å; F186-L192 HydrophobicContact CD1-CB 4.43Å; F186-L192 HydrophobicContact CE1-CB 4.21Å; F186-R193 HydrophobicContact CD1-CB 3.97Å; F186-R193 HydrophobicContact CD1-CG 4.5Å; F186-R193 HydrophobicContact CE1-CB 4.46Å |
| 187 | M | 97.9 | Very high | 96.7 | Very high | 141 Ų | 141 | 62 Ų | 62 | 70% | 0.695 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -78.4 | -39.8 | 168.5 | -72.3 | -63.5 | -68.8 | 0 | 0 | 110.7 | H183 M184 L185 | H183-M187 WeakPolarHBondContact O-CG 3.08Å; H183-M187 PolarHBondContact O-N 3.01Å; M184-M187 WeakPolarHBondContact O-CB 3.43Å; M184-M187 PolarHBondContact O-N 3.21Å; L185-M187 VanDerWaalsContact C-N 3.32Å; L185-M187 PolarHBondContact O-N 3.4Å |
| 188 | V | 98 | Very high | 96.5 | Very high | 51 Ų | 51 | 67.6 Ų | 67.6 | 31% | 0.309 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -74.4 | -42 | 175.5 | -178.6 | 0 | 0 | 0 | 0 | 111.3 | I94 M184 L185 P190 | I94-V188 HydrophobicContact CD1-CB 4.34Å; I94-V188 HydrophobicContact CD1-CG2 3.83Å; M184-V188 HydrophobicContact CE-CG2 3.89Å; M184-V188 HydrophobicContact CG-CG2 4.49Å; M184-V188 WeakPolarHBondContact O-CG2 3.41Å; M184-V188 PolarHBondContact O-N 3.43Å; M184-V188 HydrophobicContact SD-CG2 4.4Å; L185-V188 PolarHBondContact O-N 2.89Å; V188-P190 VanDerWaalsContact C-CD 3.44Å; V188-P190 VanDerWaalsContact O-CD 3.26Å; V188-P190 WeakPolarHBondContact O-CD 3.45Å |
| 189 | H | 98.1 | Very high | 96.4 | Very high | 55 Ų | 55 | 72 Ų | 72 | 26% | 0.255 | 36% | 0.359 | S | S | . | . | trans | -120.1 | 69.2 | -178.3 | -62.6 | -87.2 | 0 | 0 | 0 | 112.5 | L185 H191 L192 | L185-H189 PolarHBondContact O-N 3.46Å; H189-H191 AromaticContact ND1-CE1 3.5Å; H189-H191 PolarHBondContact ND1-CE1 3.37Å; H189-H191 AromaticContact ND1-NE2 3.88Å; H189-H191 PolarHBondContact O-N 3.35Å; H189-L192 HydrophobicContact CB-CB 4.38Å; H189-L192 HydrophobicContact CB-CD1 3.61Å; H189-L192 HydrophobicContact CB-CG 3.9Å; H189-L192 WeakPolarHBondContact O-CB 3.41Å; H189-L192 PolarHBondContact O-N 3.47Å; H189-L192 VanDerWaalsContact O-N 3.11Å | ||
| 190 | P | 98 | Very high | 96.4 | Very high | 79 Ų | 79 | 78.2 Ų | 78.2 | 51% | 0.513 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -64.4 | -25.2 | -176.5 | 25.2 | -34.6 | 0 | 0 | 0 | 113.7 | F186 V188 L192 R193 | F186-P190 VanDerWaalsContact O-CA 3.3Å; F186-P190 WeakPolarHBondContact O-CA 3.35Å; V188-P190 VanDerWaalsContact C-CD 3.44Å; V188-P190 VanDerWaalsContact O-CD 3.26Å; V188-P190 WeakPolarHBondContact O-CD 3.45Å; P190-L192 PolarHBondContact O-N 3.46Å; P190-R193 WeakPolarHBondContact O-CB 2.91Å; P190-R193 PolarHBondContact O-N 3.39Å |
| 191 | H | 97.7 | Very high | 96.5 | Very high | 143 Ų | 143 | 84.4 Ų | 84.4 | 66% | 0.662 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -68 | -20.5 | 177.5 | 57.2 | -87.3 | 0 | 0 | 0 | 113.2 | H189 R193 | H189-H191 AromaticContact ND1-CE1 3.5Å; H189-H191 PolarHBondContact ND1-CE1 3.37Å; H189-H191 AromaticContact ND1-NE2 3.88Å; H189-H191 PolarHBondContact O-N 3.35Å; H191-R193 VanDerWaalsContact C-N 3.28Å |
| 192 | L | 97.9 | Very high | 96.4 | Very high | 38 Ų | 38 | 87.6 Ų | 87.6 | 20% | 0.199 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -79.5 | -10.1 | 176 | -64.8 | -178.2 | 0 | 0 | 0 | 113 | V98 W101 F186 H189 P190 P194 | V98-L192 HydrophobicContact CG1-CD1 3.9Å; V98-L192 HydrophobicContact CG2-CD1 4.03Å; W101-L192 HydrophobicContact CH2-CB 4.35Å; W101-L192 HydrophobicContact CZ3-CB 3.96Å; W101-L192 HydrophobicContact CZ3-CD1 4.2Å; W101-L192 HydrophobicContact CZ3-CD2 4.49Å; W101-L192 HydrophobicContact CZ3-CG 4.44Å; F186-L192 HydrophobicContact CD1-CB 4.43Å; F186-L192 HydrophobicContact CE1-CB 4.21Å; H189-L192 HydrophobicContact CB-CB 4.38Å; H189-L192 HydrophobicContact CB-CD1 3.61Å; H189-L192 HydrophobicContact CB-CG 3.9Å; H189-L192 WeakPolarHBondContact O-CB 3.41Å; H189-L192 PolarHBondContact O-N 3.47Å; H189-L192 VanDerWaalsContact O-N 3.11Å; P190-L192 PolarHBondContact O-N 3.46Å; L192-P194 WeakPolarHBondContact O-CD 3.33Å |
| 193 | R | 97.3 | Very high | 96.3 | Very high | 141 Ų | 141 | 89 Ų | 89 | 53% | 0.532 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 120.8 | -177.5 | -170.1 | 177.6 | -68.3 | 168.8 | 1.1 | 110.6 | F186 P190 H191 | F186-R193 HydrophobicContact CD1-CB 3.97Å; F186-R193 HydrophobicContact CD1-CG 4.5Å; F186-R193 HydrophobicContact CE1-CB 4.46Å; P190-R193 WeakPolarHBondContact O-CB 2.91Å; P190-R193 PolarHBondContact O-N 3.39Å; H191-R193 VanDerWaalsContact C-N 3.28Å |
| 194 | P | 97 | Very high | 96.4 | Very high | 32 Ų | 32 | 91.5 Ų | 91.5 | 21% | 0.208 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 155.5 | -179.5 | 29.9 | -35.6 | 0 | 0 | 0 | 112 | P156 R157 L192 | P156-P194 HydrophobicContact CB-CG 3.88Å; P156-P194 HydrophobicContact CG-CG 3.93Å; R157-P194 HydrophobicContact CB-CB 4.34Å; R157-P194 HydrophobicContact CB-CG 3.92Å; L192-P194 WeakPolarHBondContact O-CD 3.33Å |
| 195 | K | 96.6 | Very high | 96.3 | Very high | 189 Ų | 189 | 92.8 Ų | 92.8 | 82% | 0.822 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 142.9 | 170.4 | -64.6 | -178.4 | -177.7 | 176.8 | 0 | 110.1 | R157 | R157-K195 WeakPolarHBondContact CG-O 3.15Å; R157-K195 PolarHBondContact NE-O 2.91Å |
| 196 | R | 95.4 | Very high | 96.2 | Very high | 176 Ų | 176 | 102.9 Ų | 102.9 | 66% | 0.664 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -58 | 152.4 | 176.1 | -68.9 | -165 | 177.3 | -154.7 | 1.4 | 111.7 | M159 T198 | M159-R196 PolarHBondContact SD-NH2 2.74Å; R196-T198 PolarHBondContact O-N 3.35Å |
| 197 | P | 94.7 | Very high | 96.1 | Very high | 36 Ų | 36 | 105.2 Ų | 105.2 | 23% | 0.234 | 51% | 0.51 | C | S | . | . | P | Polyproline II helix | trans | -52 | 130.8 | 173.1 | -27.6 | 36.6 | 0 | 0 | 0 | 111.6 | Y113 R157 | Y113-P197 WeakPolarHBondContact O-CB 3.37Å; R157-P197 HydrophobicContact CG-CG 3.97Å; R157-P197 WeakPolarHBondContact O-CD 3.29Å |
| 198 | T | 92.1 | Very high | 96.1 | Very high | 119 Ų | 119 | 106.2 Ų | 106.2 | 73% | 0.73 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -78.9 | -29.3 | 175.9 | 48.5 | 0 | 0 | 0 | 0 | 112.1 | R196 | R196-T198 PolarHBondContact O-N 3.35Š|
| 199 | N | 92.4 | Very high | 96.1 | Very high | 99 Ų | 99 | 110.4 Ų | 110.4 | 53% | 0.529 | 53% | 0.525 | S | S | . | . | trans | -112.7 | 152.3 | -178.7 | -66.7 | -42.9 | 0 | 0 | 0 | 111.2 | Y113 | Y113-N199 WeakPolarHBondContact CB-O 3.42Å; Y113-N199 HydrophobicContact CD1-CB 3.46Å; Y113-N199 VanDerWaalsContact CD1-CB 3.46Å; Y113-N199 HydrophobicContact CE1-CB 3.5Å; Y113-N199 VanDerWaalsContact CE1-CB 3.5Å; Y113-N199 HydrophobicContact CG-CB 4.46Å | ||
| 200 | Q | 92.6 | Very high | 96 | Very high | 146 Ų | 146 | 110.9 Ų | 110.9 | 68% | 0.682 | 53% | 0.528 | S | S | * | . | trans | -132.1 | 153.4 | 172.6 | -175 | 176.1 | 8.3 | 0 | 0 | 109.3 | Y113 V202 | Y113-Q200 VanDerWaalsContact CE2-C 3.5Å; Q200-V202 PolarHBondContact O-N 3.27Å | ||
| 201 | Y | 94.6 | Very high | 96 | Very high | 157 Ų | 157 | 113.2 Ų | 113.2 | 62% | 0.616 | 53% | 0.532 | S | S | * | . | trans | -59.1 | 126.5 | 173.6 | 179.2 | -111.7 | 0 | 0 | 0 | 110.5 | Y113 P203 | Y113-Y201 VanDerWaalsContact CE2-CA 3.41Å; Y201-P203 HydrophobicContact CE1-CB 3.75Å; Y201-P203 HydrophobicContact CE1-CG 4.4Å | ||
| 202 | V | 95 | Very high | 95.9 | Very high | 67 Ų | 67 | 110.7 Ų | 110.7 | 41% | 0.406 | 53% | 0.528 | S | S | . | . | trans | -111.6 | 105.1 | 174.6 | -178.6 | 0 | 0 | 0 | 0 | 108.2 | Q200 R204 K209 | Q200-V202 PolarHBondContact O-N 3.27Å; V202-R204 PolarHBondContact O-N 2.85Å; V202-K209 HydrophobicContact CG1-CD 3.9Å; V202-K209 HydrophobicContact CG1-CG 3.89Å | ||
| 203 | P | 96.6 | Very high | 95.8 | Very high | 30 Ų | 30 | 111.7 Ų | 111.7 | 20% | 0.195 | 54% | 0.539 | C | S | . | . | trans | -64.9 | 132.6 | -179.6 | 24.4 | -31.5 | 0 | 0 | 0 | 110.8 | Y201 I210 Y215 | Y201-P203 HydrophobicContact CE1-CB 3.75Å; Y201-P203 HydrophobicContact CE1-CG 4.4Å; P203-I210 HydrophobicContact CB-CD1 4.29Å; P203-I210 PolarHBondContact O-N 3.24Å; P203-Y215 WeakPolarHBondContact CG-OH 3.42Å | ||
| 204 | R | 97.7 | Very high | 95.7 | Very high | 140 Ų | 140 | 106.9 Ų | 106.9 | 53% | 0.528 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 140.9 | 179.4 | -67.2 | 178.3 | -178.4 | -95.8 | 6.4 | 111.6 | V202 G207 F208 K209 | V202-R204 PolarHBondContact O-N 2.85Å; R204-G207 PolarHBondContact NH1-O 3.45Å; R204-F208 CarbonylContact C-O 3.51Å; R204-F208 WeakPolarHBondContact CA-O 3.41Å; R204-K209 HydrophobicContact CG-CG 4.46Å |
| 205 | L | 96.8 | Very high | 95.7 | Very high | 106 Ų | 106 | 109.2 Ų | 109.2 | 56% | 0.555 | 53% | 0.534 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 123.6 | 172.2 | -175.4 | 63 | 0 | 0 | 0 | 108.4 | G207 F208 I210 | L205-G207 PolarHBondContact O-N 2.79Å; L205-G207 VanDerWaalsContact O-N 3.14Å; L205-F208 PolarHBondContact N-O 3.5Å; L205-F208 PolarHBondContact O-N 3.24Å; L205-I210 HydrophobicContact CB-CD1 4.5Å |
| 206 | Y | 96.5 | Very high | 95.7 | Very high | 213 Ų | 213 | 103.6 Ų | 103.6 | 84% | 0.835 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 36.8 | -172.2 | -57 | -71.5 | 0 | 0 | 0 | 113.8 | F208 | Y206-F208 VanDerWaalsContact C-N 3.29Å; Y206-F208 VanDerWaalsContact O-CD2 3.29Å; Y206-F208 WeakPolarHBondContact O-CD2 3.16Å; Y206-F208 PolarHBondContact O-N 3.36Å |
| 207 | G | 95.9 | Very high | 95.7 | Very high | 52 Ų | 52 | 100.5 Ų | 100.5 | 54% | 0.536 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | -18.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | R204 L205 | R204-G207 PolarHBondContact NH1-O 3.45Å; L205-G207 PolarHBondContact O-N 2.79Å; L205-G207 VanDerWaalsContact O-N 3.14Å |
| 208 | F | 97.5 | Very high | 95.6 | Very high | 162 Ų | 162 | 104.8 Ų | 104.8 | 71% | 0.711 | 53% | 0.53 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85 | 140 | -179.9 | -61.8 | -82.5 | 0 | 0 | 0 | 111.8 | R204 L205 Y206 | R204-F208 CarbonylContact C-O 3.51Å; R204-F208 WeakPolarHBondContact CA-O 3.41Å; L205-F208 PolarHBondContact N-O 3.5Å; L205-F208 PolarHBondContact O-N 3.24Å; Y206-F208 VanDerWaalsContact C-N 3.29Å; Y206-F208 VanDerWaalsContact O-CD2 3.29Å; Y206-F208 WeakPolarHBondContact O-CD2 3.16Å; Y206-F208 PolarHBondContact O-N 3.36Å |
| 209 | K | 97.8 | Very high | 95.8 | Very high | 139 Ų | 139 | 106.4 Ų | 106.4 | 60% | 0.604 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 139 | 173.6 | -62.9 | -175.5 | -177.4 | -179.1 | 0 | 109.6 | V202 R204 | V202-K209 HydrophobicContact CG1-CD 3.9Å; V202-K209 HydrophobicContact CG1-CG 3.89Å; R204-K209 HydrophobicContact CG-CG 4.46Å |
| 210 | I | 96.6 | Very high | 95.8 | Very high | 64 Ų | 64 | 107 Ų | 107 | 33% | 0.328 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 124.3 | 171.2 | -56.5 | -178.6 | 0 | 0 | 0 | 108.2 | P203 L205 A214 Y215 | P203-I210 HydrophobicContact CB-CD1 4.29Å; P203-I210 PolarHBondContact O-N 3.24Å; L205-I210 HydrophobicContact CB-CD1 4.5Å; I210-A214 HydrophobicContact CG2-CB 3.9Å; I210-Y215 HydrophobicContact CG2-CE2 4.11Å |
| 211 | H | 96.5 | Very high | 95.8 | Very high | 128 Ų | 128 | 102.5 Ų | 102.5 | 59% | 0.593 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -73 | 139.3 | 177.7 | -170.4 | -94.9 | 0 | 0 | 0 | 110.5 | S213 A214 | H211-S213 WeakPolarHBondContact ND1-CB 3.48Å; H211-S213 PolarHBondContact ND1-N 2.92Å; H211-S213 PolarHBondContact ND1-OG 3.08Å; H211-S213 PolarHBondContact O-N 3.16Å; H211-S213 VanDerWaalsContact O-N 3.08Å; H211-A214 VanDerWaalsContact O-CB 3.22Å; H211-A214 WeakPolarHBondContact O-CB 3.22Å; H211-A214 PolarHBondContact O-N 3.35Å |
| 212 | P | 96 | Very high | 95.8 | Very high | 91 Ų | 91 | 98.2 Ų | 98.2 | 59% | 0.591 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -28.9 | -177.7 | -28.4 | 35.9 | 0 | 0 | 0 | 115 | A214 Y215 P216 | P212-A214 PolarHBondContact O-N 2.96Å; P212-Y215 PolarHBondContact O-N 3.22Å; P212-P216 WeakPolarHBondContact O-CD 3.46Å |
| 213 | S | 95.9 | Very high | 95.6 | Very high | 59 Ų | 59 | 101.5 Ų | 101.5 | 41% | 0.413 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -16.6 | 176.3 | 69.4 | 0 | 0 | 0 | 0 | 113.9 | H211 Y215 P216 L217 | H211-S213 WeakPolarHBondContact ND1-CB 3.48Å; H211-S213 PolarHBondContact ND1-N 2.92Å; H211-S213 PolarHBondContact ND1-OG 3.08Å; H211-S213 PolarHBondContact O-N 3.16Å; H211-S213 VanDerWaalsContact O-N 3.08Å; S213-Y215 VanDerWaalsContact C-N 3.32Å; S213-Y215 PolarHBondContact O-N 3.36Å; S213-P216 WeakPolarHBondContact O-CD 3.5Å; S213-L217 WeakPolarHBondContact O-CD1 3.33Å; S213-L217 WeakPolarHBondContact O-CG 3.42Å |
| 214 | A | 96.2 | Very high | 94.9 | Very high | 39 Ų | 39 | 106.8 Ų | 106.8 | 32% | 0.322 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.4 | -32.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | I210 H211 P212 Q218 | I210-A214 HydrophobicContact CG2-CB 3.9Å; H211-A214 VanDerWaalsContact O-CB 3.22Å; H211-A214 WeakPolarHBondContact O-CB 3.22Å; H211-A214 PolarHBondContact O-N 3.35Å; P212-A214 PolarHBondContact O-N 2.96Å; A214-Q218 WeakPolarHBondContact O-CB 3.08Å; A214-Q218 PolarHBondContact O-N 3.01Å |
| 215 | Y | 96.1 | Very high | 93.4 | Very high | 82 Ų | 82 | 106.9 Ų | 106.9 | 32% | 0.322 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68.7 | -50.3 | -177.3 | -57.4 | -80.1 | 0 | 0 | 0 | 112.7 | P203 I210 P212 S213 L217 Q218 Y219 | P203-Y215 WeakPolarHBondContact CG-OH 3.42Å; I210-Y215 HydrophobicContact CG2-CE2 4.11Å; P212-Y215 PolarHBondContact O-N 3.22Å; S213-Y215 VanDerWaalsContact C-N 3.32Å; S213-Y215 PolarHBondContact O-N 3.36Å; Y215-L217 VanDerWaalsContact C-N 3.31Å; Y215-L217 PolarHBondContact O-N 3Å; Y215-Q218 WeakPolarHBondContact O-CB 3.38Å; Y215-Q218 PolarHBondContact O-N 2.91Å; Y215-Q218 VanDerWaalsContact O-N 3.16Å; Y215-Y219 WeakPolarHBondContact O-CD2 3.14Å; Y215-Y219 PolarHBondContact O-N 3.14Å |
| 216 | P | 96.3 | Very high | 91.5 | Very high | 70 Ų | 70 | 110.6 Ų | 110.6 | 46% | 0.455 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -57.3 | -41.4 | 174.7 | -25.8 | 35 | 0 | 0 | 0 | 113.6 | P212 S213 Q218 Y219 Q220 | P212-P216 WeakPolarHBondContact O-CD 3.46Å; S213-P216 WeakPolarHBondContact O-CD 3.5Å; P216-Q218 VanDerWaalsContact C-N 3.33Å; P216-Q218 PolarHBondContact O-N 3.31Å; P216-Y219 PolarHBondContact O-N 3.48Å; P216-Q220 WeakPolarHBondContact O-CG 3.29Å; P216-Q220 PolarHBondContact O-N 2.98Å |
| 217 | L | 94.9 | Very high | 89.3 | Confident | 111 Ų | 111 | 107.2 Ų | 107.2 | 58% | 0.581 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.5 | -41.8 | 176.9 | -69.7 | 171.4 | 0 | 0 | 0 | 111.6 | S213 Y215 Q220 A221 | S213-L217 WeakPolarHBondContact O-CD1 3.33Å; S213-L217 WeakPolarHBondContact O-CG 3.42Å; Y215-L217 VanDerWaalsContact C-N 3.31Å; Y215-L217 PolarHBondContact O-N 3Å; L217-Q220 PolarHBondContact O-N 3.02Å; L217-A221 WeakPolarHBondContact O-CB 3.4Å; L217-A221 PolarHBondContact O-N 3.5Å |
| 218 | Q | 94 | Very high | 86.9 | Confident | 127 Ų | 127 | 109.5 Ų | 109.5 | 59% | 0.593 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.4 | -42.9 | 176.4 | -172.8 | -179.7 | 27.1 | 0 | 0 | 111.8 | A214 Y215 P216 A221 A222 | A214-Q218 WeakPolarHBondContact O-CB 3.08Å; A214-Q218 PolarHBondContact O-N 3.01Å; Y215-Q218 WeakPolarHBondContact O-CB 3.38Å; Y215-Q218 PolarHBondContact O-N 2.91Å; Y215-Q218 VanDerWaalsContact O-N 3.16Å; P216-Q218 VanDerWaalsContact C-N 3.33Å; P216-Q218 PolarHBondContact O-N 3.31Å; Q218-A221 PolarHBondContact O-N 3.06Å; Q218-A222 PolarHBondContact O-N 3.42Å |
| 219 | Y | 95.1 | Very high | 84.6 | Confident | 152 Ų | 152 | 110.4 Ų | 110.4 | 60% | 0.596 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63.6 | -45.8 | 177.4 | -66.4 | -50.1 | 0 | 0 | 0 | 112.1 | Y215 P216 A221 A222 E223 | Y215-Y219 WeakPolarHBondContact O-CD2 3.14Å; Y215-Y219 PolarHBondContact O-N 3.14Å; P216-Y219 PolarHBondContact O-N 3.48Å; Y219-A221 VanDerWaalsContact C-N 3.33Å; Y219-A221 PolarHBondContact O-N 3.18Å; Y219-A222 PolarHBondContact O-N 3.01Å; Y219-E223 PolarHBondContact O-N 3.05Å |
| 220 | Q | 93.6 | Very high | 82 | Confident | 111 Ų | 111 | 112.4 Ų | 112.4 | 52% | 0.519 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -60.7 | -42.1 | 176.4 | -72.8 | 176.7 | -2.7 | 0 | 0 | 112.2 | P216 L217 A222 E223 N224 | P216-Q220 WeakPolarHBondContact O-CG 3.29Å; P216-Q220 PolarHBondContact O-N 2.98Å; L217-Q220 PolarHBondContact O-N 3.02Å; Q220-A222 VanDerWaalsContact C-N 3.32Å; Q220-A222 PolarHBondContact O-N 3.27Å; Q220-E223 PolarHBondContact O-N 3.42Å; Q220-N224 VanDerWaalsContact O-CG 3.26Å; Q220-N224 PolarHBondContact O-N 3.45Å; Q220-N224 PolarHBondContact O-ND2 3.31Å |
| 221 | A | 93 | Very high | 79.3 | Confident | 53 Ų | 53 | 112.4 Ų | 112.4 | 44% | 0.438 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62.2 | -39.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L217 Q218 Y219 H225 | L217-A221 WeakPolarHBondContact O-CB 3.4Å; L217-A221 PolarHBondContact O-N 3.5Å; Q218-A221 PolarHBondContact O-N 3.06Å; Y219-A221 VanDerWaalsContact C-N 3.33Å; Y219-A221 PolarHBondContact O-N 3.18Å; A221-H225 WeakPolarHBondContact O-CB 3.46Å; A221-H225 PolarHBondContact O-N 3.37Å |
| 222 | A | 93.4 | Very high | 76.7 | Confident | 66 Ų | 66 | 115 Ų | 115 | 55% | 0.545 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -67.5 | -38.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q218 Y219 Q220 H225 | Q218-A222 PolarHBondContact O-N 3.42Å; Y219-A222 PolarHBondContact O-N 3.01Å; Q220-A222 VanDerWaalsContact C-N 3.32Å; Q220-A222 PolarHBondContact O-N 3.27Å; A222-H225 PolarHBondContact O-N 3.49Å |
| 223 | E | 91 | Very high | 73.9 | Confident | 137 Ų | 137 | 115.3 Ų | 115.3 | 64% | 0.64 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.1 | -42.1 | 175.6 | -73.3 | -178.1 | 160.7 | 0 | 0 | 112.2 | Y219 Q220 H225 K226 | Y219-E223 PolarHBondContact O-N 3.05Å; Q220-E223 PolarHBondContact O-N 3.42Å; E223-H225 PolarHBondContact O-N 3.44Å; E223-K226 PolarHBondContact O-N 3.31Å |
| 224 | N | 81.1 | Confident | 71 | Confident | 141 Ų | 141 | 119.5 Ų | 119.5 | 75% | 0.754 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -67.3 | -21.9 | 177.4 | -69.1 | -22.5 | 0 | 0 | 0 | 112.9 | Q220 K226 | Q220-N224 VanDerWaalsContact O-CG 3.26Å; Q220-N224 PolarHBondContact O-N 3.45Å; Q220-N224 PolarHBondContact O-ND2 3.31Å; N224-K226 VanDerWaalsContact C-N 3.35Å; N224-K226 PolarHBondContact O-N 3.19Å |
| 225 | H | 66.4 | Low | 68.2 | Low | 142 Ų | 142 | 127.9 Ų | 127.9 | 66% | 0.657 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | 12.3 | -179.1 | -110 | -77.2 | 0 | 0 | 0 | 114.9 | A221 A222 E223 L227 | A221-H225 WeakPolarHBondContact O-CB 3.46Å; A221-H225 PolarHBondContact O-N 3.37Å; A222-H225 PolarHBondContact O-N 3.49Å; E223-H225 PolarHBondContact O-N 3.44Å; H225-L227 PolarHBondContact O-N 2.73Å |
| 226 | K | 58 | Low | 65.4 | Low | 184 Ų | 184 | 132.4 Ų | 132.4 | 80% | 0.8 | 70% | 0.699 | S | S | * | * | trans | -63.3 | 86.2 | 166.3 | -74.6 | -173.9 | -178.9 | 177.2 | 0 | 109.6 | E223 N224 | E223-K226 PolarHBondContact O-N 3.31Å; N224-K226 VanDerWaalsContact C-N 3.35Å; N224-K226 PolarHBondContact O-N 3.19Å | ||
| 227 | L | 50.8 | Low | 62.4 | Low | 141 Ų | 141 | 132.6 Ų | 132.6 | 74% | 0.738 | 71% | 0.713 | S | S | * | * | trans | -51 | 146.2 | 172.4 | -79.9 | 154.2 | 0 | 0 | 0 | 110 | H225 L229 | H225-L227 PolarHBondContact O-N 2.73Å; L227-L229 PolarHBondContact O-N 2.71Å | ||
| 228 | P | 44.8 | Very low | 59.6 | Low | 101 Ų | 101 | 132.9 Ų | 132.9 | 66% | 0.656 | 73% | 0.725 | S | S | * | * | trans | -59.8 | 133.3 | 172.1 | -3.4 | 16.7 | 0 | 0 | 0 | 107.9 | H230 | P228-H230 PolarHBondContact O-N 3.31Š| ||
| 229 | L | 49.1 | Very low | 57.3 | Low | 181 Ų | 181 | 133.7 Ų | 133.7 | 95% | 0.948 | 74% | 0.738 | S | S | * | * | trans | -59.3 | 82 | 162.7 | -76.4 | 161.2 | 0 | 0 | 0 | 108.1 | L227 G231 | L227-L229 PolarHBondContact O-N 2.71Å; L229-G231 PolarHBondContact O-N 3.29Å | ||
| 230 | H | 44.1 | Very low | 54.9 | Low | 181 Ų | 181 | 139.5 Ų | 139.5 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | trans | -86 | 97.1 | 174.1 | -122.2 | 48.7 | 0 | 0 | 0 | 108.7 | P228 | P228-H230 PolarHBondContact O-N 3.31Š| ||
| 231 | G | 39.3 | Very low | 53 | Low | 64 Ų | 64 | 141 Ų | 141 | 66% | 0.66 | 78% | 0.779 | S | S | * | * | trans | 69 | 71.6 | 135.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | L229 S233 | L229-G231 PolarHBondContact O-N 3.29Å; G231-S233 VanDerWaalsContact C-N 3.31Å | ||
| 232 | I | 41.2 | Very low | 50.9 | Low | 182 Ų | 182 | 145.6 Ų | 145.6 | 93% | 0.933 | 80% | 0.797 | S | S | * | * | trans | -96.3 | 71 | 146.9 | -51.6 | 175.8 | 0 | 0 | 0 | 107.2 | ||||
| 233 | S | 38.2 | Very low | 48.5 | Very low | 97 Ų | 97 | 150 Ų | 150 | 68% | 0.678 | 81% | 0.811 | S | S | * | * | trans | -149 | 122.9 | 162.4 | -162.4 | 0 | 0 | 0 | 0 | 105.4 | G231 | G231-S233 VanDerWaalsContact C-N 3.31Š| ||
| 234 | N | 34 | Very low | 46 | Very low | 147 Ų | 147 | 150.8 Ų | 150.8 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | S | Bend | trans | 106.5 | 51.5 | -177.6 | -51.7 | -19.8 | 0 | 0 | 0 | 116.4 | ||
| 235 | F | 38 | Very low | 43.9 | Very low | 215 Ų | 215 | 151.4 Ų | 151.4 | 94% | 0.943 | 83% | 0.825 | S | S | * | * | trans | -144.7 | 47.4 | 152.3 | -101.7 | -77.6 | 0 | 0 | 0 | 111.7 | ||||
| 236 | I | 36.8 | Very low | 42.4 | Very low | 178 Ų | 178 | 152 Ų | 152 | 91% | 0.913 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -142.8 | 103.5 | 161.1 | -54 | 177.7 | 0 | 0 | 0 | 106.9 | ||
| 237 | G | 34.1 | Very low | 41.2 | Very low | 74 Ų | 74 | 149.7 Ų | 149.7 | 76% | 0.763 | 84% | 0.839 | S | S | * | * | trans | 143.3 | 91.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 238 | S | 35.9 | Very low | 40.5 | Very low | 117 Ų | 117 | 150.4 Ų | 150.4 | 82% | 0.818 | 85% | 0.847 | S | S | * | * | trans | 140.4 | 84.7 | 140.5 | -78.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 239 | T | 45.1 | Very low | 40.1 | Very low | 144 Ų | 144 | 154.5 Ų | 154.5 | 88% | 0.883 | 86% | 0.863 | S | S | * | * | trans | -115.2 | 106.9 | 137.2 | 45.7 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 240 | K | 45.9 | Very low | 39.3 | Very low | 274 Ų | 274 | 152.1 Ų | 152.1 | 100% | 1.191 | 86% | 0.855 | S | S | * | * | trans | -70.9 | 0 | 157.7 | -80 | -177.7 | 173.9 | -179.3 | 0 | 109.1 |
Retrieved 240 of 240 residues in 110.2 ms
(Link to these results)