| 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 | 35.2 | Very low | 72.7 | Confident | 239 Ų | 239 | 101.9 Ų | 101.9 | 100% | 1.177 | 58% | 0.578 | S | S | * | * | 0 | 114.7 | 0 | -58.9 | -173.6 | 90.8 | 0 | 0 | 104.6 | S3 | M1-S3 PolarHBondContact O-N 3.11Š| |||
| 2 | S | 45 | Very low | 74.8 | Confident | 130 Ų | 130 | 103.4 Ų | 103.4 | 91% | 0.909 | 57% | 0.568 | S | S | * | * | trans | -62.7 | 118.7 | 178.6 | -166.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 3 | S | 45.1 | Very low | 76.6 | Confident | 100 Ų | 100 | 95.9 Ų | 95.9 | 70% | 0.699 | 53% | 0.526 | S | S | * | . | trans | -68.1 | 129.6 | 179.2 | 46.1 | 0 | 0 | 0 | 0 | 109.9 | M1 | M1-S3 PolarHBondContact O-N 3.11Š| ||
| 4 | S | 52.3 | Low | 78.2 | Confident | 84 Ų | 84 | 90.4 Ų | 90.4 | 59% | 0.587 | 50% | 0.498 | S | S | * | . | trans | 51.5 | 113.1 | 165.7 | 37.8 | 0 | 0 | 0 | 0 | 118.5 | E6 | S4-E6 PolarHBondContact O-N 3.22Š| ||
| 5 | D | 62.2 | Low | 79.5 | Confident | 172 Ų | 172 | 88.8 Ų | 88.8 | 92% | 0.92 | 51% | 0.51 | S | S | * | . | trans | -64.4 | 55.2 | 156.3 | -63.2 | -50.9 | 0 | 0 | 0 | 110.8 | I7 | D5-I7 PolarHBondContact O-N 3.02Š| ||
| 6 | E | 79.2 | Confident | 80.6 | Confident | 169 Ų | 169 | 86.7 Ų | 86.7 | 79% | 0.79 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -72.4 | 118.3 | 168.9 | -91.4 | 174 | 158.7 | 0 | 0 | 108.3 | S4 S8 | S4-E6 PolarHBondContact O-N 3.22Å; E6-S8 PolarHBondContact O-N 3.18Å |
| 7 | I | 91.1 | Very high | 81.6 | Confident | 125 Ų | 125 | 93.2 Ų | 93.2 | 64% | 0.641 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 121.1 | 176.1 | -62 | 169.6 | 0 | 0 | 0 | 106.3 | D5 W12 | D5-I7 PolarHBondContact O-N 3.02Å; I7-W12 HydrophobicContact CG2-CB 3.98Å |
| 8 | S | 96 | Very high | 82.5 | Confident | 34 Ų | 34 | 88.2 Ų | 88.2 | 24% | 0.238 | 48% | 0.484 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 153.6 | 176.4 | 63.6 | 0 | 0 | 0 | 0 | 111.4 | E6 I10 S11 W12 D55 | E6-S8 PolarHBondContact O-N 3.18Å; S8-I10 PolarHBondContact O-N 2.9Å; S8-I10 VanDerWaalsContact O-N 3.16Å; S8-S11 PolarHBondContact O-N 3.31Å; S8-S11 VanDerWaalsContact O-N 3.07Å; S8-S11 PolarHBondContact OG-N 3.32Å; S8-W12 WeakPolarHBondContact O-CB 3.25Å; S8-W12 PolarHBondContact O-N 3.13Å; S8-D55 WeakPolarHBondContact CA-OD2 3.01Å; S8-D55 VanDerWaalsContact CB-OD2 3.25Å; S8-D55 WeakPolarHBondContact CB-OD2 3.4Å |
| 9 | W | 97.3 | Very high | 83.4 | Confident | 23 Ų | 23 | 84.8 Ų | 84.8 | 9% | 0.087 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -51.7 | -40.9 | 176.2 | -174.6 | 98.6 | 0 | 0 | 0 | 111.5 | W12 F13 I53 D55 A74 E75 Y78 | W9-W12 HydrophobicContact CD2-CE3 4.46Å; W9-W12 AromaticContact CE2-CZ3 3.93Å; W9-W12 HydrophobicContact CG-CE3 4.38Å; W9-W12 HydrophobicContact CZ2-CZ3 4.29Å; W9-W12 AromaticContact NE1-CZ3 3.66Å; W9-W12 PolarHBondContact O-N 3.23Å; W9-F13 HydrophobicContact CD2-CB 4.45Å; W9-F13 HydrophobicContact CE3-CB 4.06Å; W9-F13 HydrophobicContact CH2-CB 3.93Å; W9-F13 HydrophobicContact CH2-CD1 4.37Å; W9-F13 AromaticContact CH2-CD2 3.7Å; W9-F13 HydrophobicContact CH2-CD2 3.7Å; W9-F13 HydrophobicContact CH2-CE2 4.33Å; W9-F13 AromaticContact CH2-CG 3.72Å; W9-F13 HydrophobicContact CH2-CG 3.72Å; W9-F13 HydrophobicContact CZ2-CB 4.36Å; W9-F13 HydrophobicContact CZ2-CD2 4.06Å; W9-F13 HydrophobicContact CZ2-CG 4.37Å; W9-F13 HydrophobicContact CZ3-CB 3.75Å; W9-F13 HydrophobicContact CZ3-CD1 4.35Å; W9-F13 HydrophobicContact CZ3-CD2 4.34Å; W9-F13 AromaticContact CZ3-CG 3.89Å; W9-F13 HydrophobicContact CZ3-CG 3.89Å; W9-F13 VanDerWaalsContact O-CB 3.29Å; W9-F13 WeakPolarHBondContact O-CB 3.43Å; W9-F13 PolarHBondContact O-N 2.92Å; W9-I53 HydrophobicContact CD2-CG1 4.35Å; W9-I53 HydrophobicContact CE3-CB 4.25Å; 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 4.43Å; W9-I53 HydrophobicContact CZ3-CG1 3.9Å; W9-I53 HydrophobicContact CZ3-CG2 4.4Å; W9-D55 WeakPolarHBondContact CB-OD1 3.29Å; W9-D55 PolarHBondContact N-OD1 3.36Å; W9-D55 VanDerWaalsContact N-OD1 3.14Å; W9-D55 PolarHBondContact N-OD2 2.74Å; W9-A74 HydrophobicContact CZ2-CB 3.83Å; W9-E75 HydrophobicContact CZ2-CG 4.44Å; W9-Y78 HydrophobicContact CH2-CD1 4.48Å; W9-Y78 HydrophobicContact CH2-CG 4.04Å; W9-Y78 HydrophobicContact CZ3-CD1 4.08Å; W9-Y78 AromaticContact CZ3-CD2 3.77Å; W9-Y78 HydrophobicContact CZ3-CD2 3.77Å; W9-Y78 HydrophobicContact CZ3-CE2 4.48Å; W9-Y78 AromaticContact CZ3-CG 3.54Å; W9-Y78 HydrophobicContact CZ3-CG 3.54Å |
| 10 | I | 98.2 | Very high | 84.1 | Confident | 4 Ų | 4 | 83.2 Ų | 83.2 | 2% | 0.021 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -61.8 | -48.2 | 179.2 | -64.9 | 176.4 | 0 | 0 | 0 | 111.6 | S8 F13 C14 E24 E27 I30 I53 Y78 | S8-I10 PolarHBondContact O-N 2.9Å; S8-I10 VanDerWaalsContact O-N 3.16Å; I10-F13 PolarHBondContact O-N 3.03Å; I10-C14 WeakPolarHBondContact O-CB 3.49Å; I10-C14 PolarHBondContact O-N 3.08Å; I10-C14 PolarHBondContact O-SG 3.49Å; I10-E24 HydrophobicContact CG2-CB 3.89Å; I10-E24 HydrophobicContact CG2-CG 4.14Å; I10-E27 HydrophobicContact CD1-CG 4.17Å; I10-I30 HydrophobicContact CD1-CD1 3.67Å; I10-I53 HydrophobicContact CD1-CG2 4.36Å; I10-I53 HydrophobicContact CG1-CG2 4.18Å; I10-Y78 HydrophobicContact CB-CE2 4.41Å; I10-Y78 HydrophobicContact CD1-CE2 4.22Å; I10-Y78 HydrophobicContact CG1-CD2 4.41Å; I10-Y78 HydrophobicContact CG1-CE2 3.86Å; I10-Y78 HydrophobicContact CG2-CE2 3.97Å; I10-Y78 WeakPolarHBondContact CG2-OH 3.26Å |
| 11 | S | 97.9 | Very high | 84.8 | Confident | 41 Ų | 41 | 79.4 Ų | 79.4 | 29% | 0.287 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -69.8 | -37.5 | -179.3 | -167 | 0 | 0 | 0 | 0 | 111.1 | S8 G15 E24 | S8-S11 PolarHBondContact O-N 3.31Å; S8-S11 VanDerWaalsContact O-N 3.07Å; S8-S11 PolarHBondContact OG-N 3.32Å; S11-G15 PolarHBondContact O-N 3.46Å; S11-E24 WeakPolarHBondContact CB-OE1 3.4Å; S11-E24 PolarHBondContact OG-OE1 3.12Å |
| 12 | W | 97.8 | Very high | 87.8 | Confident | 120 Ų | 120 | 68.3 Ų | 68.3 | 46% | 0.455 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -58.2 | -53.8 | 171.3 | 166.8 | 80.4 | 0 | 0 | 0 | 111.3 | I7 S8 W9 C14 G15 L16 | I7-W12 HydrophobicContact CG2-CB 3.98Å; S8-W12 WeakPolarHBondContact O-CB 3.25Å; S8-W12 PolarHBondContact O-N 3.13Å; W9-W12 HydrophobicContact CD2-CE3 4.46Å; W9-W12 AromaticContact CE2-CZ3 3.93Å; W9-W12 HydrophobicContact CG-CE3 4.38Å; W9-W12 HydrophobicContact CZ2-CZ3 4.29Å; W9-W12 AromaticContact NE1-CZ3 3.66Å; W9-W12 PolarHBondContact O-N 3.23Å; W12-C14 PolarHBondContact O-N 3.32Å; W12-G15 WeakPolarHBondContact O-CA 3.45Å; W12-G15 PolarHBondContact O-N 3.22Å; W12-G15 VanDerWaalsContact O-N 3.08Å; W12-L16 HydrophobicContact CH2-CD1 3.94Å; W12-L16 HydrophobicContact CZ2-CD1 3.87Å; W12-L16 HydrophobicContact CZ2-CD2 4.16Å; W12-L16 HydrophobicContact CZ2-CG 4.45Å; W12-L16 HydrophobicContact CZ3-CD1 4.3Å; W12-L16 PolarHBondContact O-N 2.92Å |
| 13 | F | 98.4 | Very high | 90.4 | Very high | 6 Ų | 6 | 62.4 Ų | 62.4 | 3% | 0.026 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.2 | -46.4 | -178.1 | 177.9 | -94.5 | 0 | 0 | 0 | 111.7 | W9 I10 G15 L16 N19 F22 E75 Y78 | W9-F13 HydrophobicContact CD2-CB 4.45Å; W9-F13 HydrophobicContact CE3-CB 4.06Å; W9-F13 HydrophobicContact CH2-CB 3.93Å; W9-F13 HydrophobicContact CH2-CD1 4.37Å; W9-F13 AromaticContact CH2-CD2 3.7Å; W9-F13 HydrophobicContact CH2-CD2 3.7Å; W9-F13 HydrophobicContact CH2-CE2 4.33Å; W9-F13 AromaticContact CH2-CG 3.72Å; W9-F13 HydrophobicContact CH2-CG 3.72Å; W9-F13 HydrophobicContact CZ2-CB 4.36Å; W9-F13 HydrophobicContact CZ2-CD2 4.06Å; W9-F13 HydrophobicContact CZ2-CG 4.37Å; W9-F13 HydrophobicContact CZ3-CB 3.75Å; W9-F13 HydrophobicContact CZ3-CD1 4.35Å; W9-F13 HydrophobicContact CZ3-CD2 4.34Å; W9-F13 AromaticContact CZ3-CG 3.89Å; W9-F13 HydrophobicContact CZ3-CG 3.89Å; W9-F13 VanDerWaalsContact O-CB 3.29Å; W9-F13 WeakPolarHBondContact O-CB 3.43Å; W9-F13 PolarHBondContact O-N 2.92Å; I10-F13 PolarHBondContact O-N 3.03Å; F13-G15 PolarHBondContact O-N 2.92Å; F13-L16 HydrophobicContact CD2-CD1 4.33Å; F13-L16 WeakPolarHBondContact O-CB 3.48Å; F13-L16 PolarHBondContact O-N 3Å; F13-N19 VanDerWaalsContact CE2-ND2 3.31Å; F13-N19 WeakPolarHBondContact CE2-ND2 3.4Å; F13-N19 VanDerWaalsContact CZ-ND2 3.3Å; F13-N19 WeakPolarHBondContact CZ-ND2 3.4Å; F13-N19 VanDerWaalsContact O-CB 3.3Å; F13-N19 WeakPolarHBondContact O-CB 3.22Å; F13-N19 PolarHBondContact O-ND2 3.42Å; F13-F22 HydrophobicContact CE1-CD1 4.3Å; F13-F22 AromaticContact CE1-CD2 3.99Å; F13-F22 HydrophobicContact CE1-CD2 3.99Å; F13-F22 HydrophobicContact CE1-CE1 4.29Å; F13-F22 AromaticContact CE1-CE2 3.96Å; F13-F22 HydrophobicContact CE1-CE2 3.96Å; F13-F22 HydrophobicContact CE1-CG 4.16Å; F13-F22 HydrophobicContact CE1-CZ 4.12Å; F13-F22 HydrophobicContact CZ-CE2 4.22Å; F13-F22 HydrophobicContact CZ-CZ 4.31Å; F13-E75 HydrophobicContact CD2-CG 4.17Å; F13-E75 HydrophobicContact CE2-CB 4.03Å; F13-E75 HydrophobicContact CE2-CG 3.68Å; F13-Y78 AromaticContact CD1-CD1 3.5Å; F13-Y78 HydrophobicContact CD1-CD1 3.5Å; F13-Y78 VanDerWaalsContact CD1-CD1 3.5Å; F13-Y78 AromaticContact CD1-CE1 3.58Å; F13-Y78 HydrophobicContact CD1-CE1 3.58Å; F13-Y78 HydrophobicContact CD1-CG 4.49Å; F13-Y78 AromaticContact CE1-CD1 3.45Å; F13-Y78 HydrophobicContact CE1-CD1 3.45Å; F13-Y78 VanDerWaalsContact CE1-CD1 3.45Å; F13-Y78 AromaticContact CE1-CE1 3.77Å; F13-Y78 HydrophobicContact CE1-CE1 3.77Å; F13-Y78 HydrophobicContact CG-CD1 4.41Å; F13-Y78 HydrophobicContact CZ-CD1 4.34Å |
| 14 | C | 98.5 | Very high | 93 | Very high | 19 Ų | 19 | 62.3 Ų | 62.3 | 13% | 0.128 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.1 | -24.3 | 178.1 | -65.7 | 0 | 0 | 0 | 0 | 112.7 | I10 W12 E24 Y78 | I10-C14 WeakPolarHBondContact O-CB 3.49Å; I10-C14 PolarHBondContact O-N 3.08Å; I10-C14 PolarHBondContact O-SG 3.49Å; W12-C14 PolarHBondContact O-N 3.32Å; C14-E24 HydrophobicContact CB-CG 4.01Å; C14-Y78 PolarHBondContact SG-OH 2.84Å; C14-Y78 VanDerWaalsContact SG-OH 3.41Å |
| 15 | G | 97.7 | Very high | 95.2 | Very high | 66 Ų | 66 | 58.5 Ų | 58.5 | 68% | 0.68 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -80.6 | -11.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | S11 W12 F13 | S11-G15 PolarHBondContact O-N 3.46Å; W12-G15 WeakPolarHBondContact O-CA 3.45Å; W12-G15 PolarHBondContact O-N 3.22Å; W12-G15 VanDerWaalsContact O-N 3.08Å; F13-G15 PolarHBondContact O-N 2.92Å |
| 16 | L | 98.1 | Very high | 96.9 | Very high | 55 Ų | 55 | 53.2 Ų | 53.2 | 29% | 0.288 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -66.5 | 147.8 | 180 | -66.2 | 177.1 | 0 | 0 | 0 | 112.3 | W12 F13 G18 N19 | W12-L16 HydrophobicContact CH2-CD1 3.94Å; W12-L16 HydrophobicContact CZ2-CD1 3.87Å; W12-L16 HydrophobicContact CZ2-CD2 4.16Å; W12-L16 HydrophobicContact CZ2-CG 4.45Å; W12-L16 HydrophobicContact CZ3-CD1 4.3Å; W12-L16 PolarHBondContact O-N 2.92Å; F13-L16 HydrophobicContact CD2-CD1 4.33Å; F13-L16 WeakPolarHBondContact O-CB 3.48Å; F13-L16 PolarHBondContact O-N 3Å; L16-G18 PolarHBondContact O-N 3.49Å; L16-N19 HydrophobicContact CB-CB 4.37Å; L16-N19 WeakPolarHBondContact O-CB 3.46Å; L16-N19 PolarHBondContact O-N 2.98Å |
| 17 | R | 97.9 | Very high | 97.7 | Very high | 197 Ų | 197 | 49.2 Ų | 49.2 | 74% | 0.743 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | 121.6 | 175 | 178.6 | -176.2 | 173 | -143.6 | -2.9 | 110.1 | R148 | R17-R148 HydrophobicContact CG-CB 4.48Š|
| 18 | G | 97.7 | Very high | 98 | Very high | 4 Ų | 4 | 47.2 Ų | 47.2 | 4% | 0.041 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 107 | -17.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L16 E20 R148 T152 | L16-G18 PolarHBondContact O-N 3.49Å; G18-E20 WeakPolarHBondContact CA-OE2 3.32Å; G18-E20 PolarHBondContact N-OE2 2.92Å; G18-R148 WeakPolarHBondContact CA-O 3.03Å; G18-T152 PolarHBondContact O-OG1 3.38Å |
| 19 | N | 98.5 | Very high | 98.1 | Very high | 23 Ų | 23 | 47.1 Ų | 47.1 | 12% | 0.123 | 24% | 0.235 | C | C | . | . | trans | -101.7 | 13.1 | -175.4 | -68.6 | -1.5 | 0 | 0 | 0 | 113.2 | F13 L16 F21 F22 | F13-N19 VanDerWaalsContact CE2-ND2 3.31Å; F13-N19 WeakPolarHBondContact CE2-ND2 3.4Å; F13-N19 VanDerWaalsContact CZ-ND2 3.3Å; F13-N19 WeakPolarHBondContact CZ-ND2 3.4Å; F13-N19 VanDerWaalsContact O-CB 3.3Å; F13-N19 WeakPolarHBondContact O-CB 3.22Å; F13-N19 PolarHBondContact O-ND2 3.42Å; L16-N19 HydrophobicContact CB-CB 4.37Å; L16-N19 WeakPolarHBondContact O-CB 3.46Å; L16-N19 PolarHBondContact O-N 2.98Å; N19-F21 PolarHBondContact O-N 2.92Å; N19-F22 HydrophobicContact CB-CD2 3.77Å; N19-F22 HydrophobicContact CB-CE2 4.25Å; N19-F22 WeakPolarHBondContact O-CD2 3.46Å; N19-F22 PolarHBondContact O-N 3.03Å | ||
| 20 | E | 98.4 | Very high | 98.2 | Very high | 53 Ų | 53 | 46.1 Ų | 46.1 | 25% | 0.248 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -16.7 | -177.4 | -63.1 | 94 | 148.3 | 0 | 0 | 113.7 | G18 K98 R148 H149 | G18-E20 WeakPolarHBondContact CA-OE2 3.32Å; G18-E20 PolarHBondContact N-OE2 2.92Å; E20-K98 WeakPolarHBondContact O-CE 3.46Å; E20-K98 PolarHBondContact O-NZ 2.92Å; E20-R148 WeakPolarHBondContact OE1-CD 3.14Å; E20-R148 IonicContact OE1-CZ 3.73Å; E20-R148 IonicContact OE1-NE 3.69Å; E20-R148 IonicContact OE1-NH1 3.85Å; E20-R148 PolarHBondContact OE1-NH1 3.36Å; E20-H149 IonicContact OE2-CD2 3.63Å; E20-H149 IonicContact OE2-NE2 3.58Å; E20-H149 PolarHBondContact OE2-NE2 3.24Å |
| 21 | F | 98.7 | Very high | 98.1 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 1% | 0.013 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -18.9 | 178.1 | -71.1 | 5 | 0 | 0 | 0 | 113.7 | N19 F104 P119 V131 I133 P144 H149 F157 | N19-F21 PolarHBondContact O-N 2.92Å; F21-F104 HydrophobicContact CB-CD1 4.21Å; F21-F104 HydrophobicContact CB-CE1 4.36Å; F21-F104 AromaticContact CD1-CD1 3.78Å; F21-F104 HydrophobicContact CD1-CD1 3.78Å; F21-F104 VanDerWaalsContact CE1-CA 3.5Å; F21-F104 HydrophobicContact CE1-CB 4.37Å; F21-F104 HydrophobicContact CE1-CD1 4.38Å; F21-F104 HydrophobicContact CG-CD1 4.04Å; F21-F104 WeakPolarHBondContact O-CE1 3.46Å; F21-P119 HydrophobicContact CD2-CB 3.95Å; F21-P119 HydrophobicContact CG-CB 4.47Å; F21-V131 HydrophobicContact CD2-CG1 4.18Å; F21-V131 HydrophobicContact CD2-CG2 4.1Å; F21-V131 HydrophobicContact CE2-CG1 4.24Å; F21-V131 HydrophobicContact CE2-CG2 4.41Å; F21-I133 HydrophobicContact CE2-CG2 3.94Å; F21-I133 HydrophobicContact CZ-CG2 3.98Å; F21-P144 HydrophobicContact CE2-CG 4.18Å; F21-P144 HydrophobicContact CZ-CB 4.43Å; F21-H149 AromaticContact CE1-CE1 3.81Å; F21-H149 AromaticContact CE1-NE2 3.9Å; F21-H149 HydrophobicContact CE2-CB 4.38Å; F21-H149 HydrophobicContact CZ-CB 4.47Å; F21-H149 AromaticContact CZ-ND1 3.91Å; F21-F157 HydrophobicContact CB-CE1 3.67Å; F21-F157 HydrophobicContact CB-CZ 3.49Å; F21-F157 VanDerWaalsContact CB-CZ 3.49Å; F21-F157 HydrophobicContact CD2-CZ 4.45Å; F21-F157 WeakPolarHBondContact O-CE1 3.26Å |
| 22 | F | 98.9 | Very high | 98.1 | Very high | 6 Ų | 6 | 53.7 Ų | 53.7 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | trans | -73.1 | 147.4 | 178.2 | -68.3 | -85.8 | 0 | 0 | 0 | 111.1 | F13 N19 Y78 H82 K98 T152 Y156 F157 | F13-F22 HydrophobicContact CE1-CD1 4.3Å; F13-F22 AromaticContact CE1-CD2 3.99Å; F13-F22 HydrophobicContact CE1-CD2 3.99Å; F13-F22 HydrophobicContact CE1-CE1 4.29Å; F13-F22 AromaticContact CE1-CE2 3.96Å; F13-F22 HydrophobicContact CE1-CE2 3.96Å; F13-F22 HydrophobicContact CE1-CG 4.16Å; F13-F22 HydrophobicContact CE1-CZ 4.12Å; F13-F22 HydrophobicContact CZ-CE2 4.22Å; F13-F22 HydrophobicContact CZ-CZ 4.31Å; N19-F22 HydrophobicContact CB-CD2 3.77Å; N19-F22 HydrophobicContact CB-CE2 4.25Å; N19-F22 WeakPolarHBondContact O-CD2 3.46Å; N19-F22 PolarHBondContact O-N 3.03Å; F22-Y78 HydrophobicContact CD1-CE1 4.23Å; F22-H82 HydrophobicContact CD1-CB 4.22Å; F22-H82 AromaticContact CD1-CD2 3.73Å; F22-H82 AromaticContact CD1-CE1 3.79Å; F22-H82 AromaticContact CD1-CG 3.64Å; F22-H82 AromaticContact CD1-ND1 3.68Å; F22-H82 AromaticContact CD1-NE2 3.83Å; F22-H82 HydrophobicContact CE1-CB 4.38Å; F22-K98 WeakPolarHBondContact O-CE 3.39Å; F22-K98 PolarHBondContact O-NZ 3.42Å; F22-T152 HydrophobicContact CE2-CG2 3.58Å; F22-T152 HydrophobicContact CZ-CG2 3.77Å; F22-Y156 HydrophobicContact CZ-CD2 4.02Å; F22-F157 HydrophobicContact CD1-CZ 4.37Å; F22-F157 HydrophobicContact CD2-CZ 4.4Å; F22-F157 HydrophobicContact CE1-CZ 4.2Å; F22-F157 HydrophobicContact CE2-CZ 4.25Å; F22-F157 HydrophobicContact CG-CZ 4.47Å; F22-F157 HydrophobicContact CZ-CE2 4.31Å; F22-F157 HydrophobicContact CZ-CZ 4.15Å | ||
| 23 | C | 98.7 | Very high | 98 | Very high | 6 Ų | 6 | 58.2 Ų | 58.2 | 4% | 0.041 | 28% | 0.282 | C | S | . | . | trans | -99.4 | 155 | 158.2 | 68.2 | 0 | 0 | 0 | 0 | 109.5 | V25 Y78 H82 F94 M95 K98 | C23-V25 PolarHBondContact O-N 3.17Å; C23-Y78 PolarHBondContact O-OH 3.37Å; C23-H82 PolarHBondContact N-NE2 2.7Å; C23-H82 PolarHBondContact O-CD2 3.45Å; C23-H82 PolarHBondContact SG-NE2 3.28Å; C23-H82 VanDerWaalsContact SG-NE2 3.41Å; C23-F94 HydrophobicContact CB-CB 3.95Å; C23-M95 HydrophobicContact CB-SD 3.72Å; C23-K98 HydrophobicContact CB-CD 4.19Å | ||
| 24 | E | 98.7 | Very high | 97.9 | Very high | 98 Ų | 98 | 65.5 Ų | 65.5 | 46% | 0.458 | 31% | 0.314 | S | S | . | . | trans | -71.9 | 115.6 | 172.9 | -63.2 | -178.2 | 179.8 | 0 | 0 | 108.5 | I10 S11 C14 | I10-E24 HydrophobicContact CG2-CB 3.89Å; I10-E24 HydrophobicContact CG2-CG 4.14Å; S11-E24 WeakPolarHBondContact CB-OE1 3.4Å; S11-E24 PolarHBondContact OG-OE1 3.12Å; C14-E24 HydrophobicContact CB-CG 4.01Å | ||
| 25 | V | 98.7 | Very high | 97.9 | Very high | 5 Ų | 5 | 66.2 Ų | 66.2 | 3% | 0.03 | 32% | 0.317 | C | S | . | . | trans | -73.2 | 132.5 | 175.3 | 179.7 | 0 | 0 | 0 | 0 | 108.4 | C23 E27 Y29 I30 Y78 I81 H82 Y85 | C23-V25 PolarHBondContact O-N 3.17Å; V25-E27 PolarHBondContact O-N 3.23Å; V25-Y29 HydrophobicContact CG1-CD1 3.85Å; V25-I30 HydrophobicContact CB-CD1 4.2Å; V25-I30 HydrophobicContact CB-CG1 4.5Å; V25-I30 HydrophobicContact CG1-CD1 3.92Å; V25-I30 HydrophobicContact CG1-CG1 3.68Å; V25-Y78 HydrophobicContact CB-CE2 4Å; V25-Y78 HydrophobicContact CG2-CE2 3.89Å; V25-Y78 PolarHBondContact N-OH 3.5Å; V25-Y78 VanDerWaalsContact N-OH 3.08Å; V25-I81 HydrophobicContact CG1-CG2 4.04Å; V25-I81 HydrophobicContact CG2-CG2 4.49Å; V25-H82 HydrophobicContact CG2-CB 4.23Å; V25-Y85 HydrophobicContact CB-CD1 4.12Å; V25-Y85 HydrophobicContact CB-CE1 4.4Å; V25-Y85 HydrophobicContact CB-CG 4.27Å; V25-Y85 HydrophobicContact CG1-CD1 4.05Å; V25-Y85 HydrophobicContact CG1-CD2 3.82Å; V25-Y85 HydrophobicContact CG1-CE1 4.42Å; V25-Y85 HydrophobicContact CG1-CE2 4.23Å; V25-Y85 HydrophobicContact CG1-CG 3.71Å; V25-Y85 HydrophobicContact CG2-CD1 3.7Å; V25-Y85 HydrophobicContact CG2-CE1 4.36Å; V25-Y85 HydrophobicContact CG2-CG 3.95Å | ||
| 26 | E | 98.2 | Very high | 97.9 | Very high | 60 Ų | 60 | 63.4 Ų | 63.4 | 28% | 0.28 | 29% | 0.286 | S | S | . | . | trans | -66.6 | 134.3 | 177.4 | -65.9 | 174.3 | 150.6 | 0 | 0 | 110.7 | D28 Y29 I30 Y85 R90 F94 | E26-D28 WeakPolarHBondContact CB-OD1 3.42Å; E26-D28 PolarHBondContact O-N 3.21Å; E26-Y29 WeakPolarHBondContact O-CB 3.37Å; E26-Y29 PolarHBondContact O-N 3.47Å; E26-Y29 VanDerWaalsContact O-N 3.11Å; E26-I30 PolarHBondContact O-N 3.43Å; E26-Y85 WeakPolarHBondContact CG-OH 3.47Å; E26-R90 WeakPolarHBondContact OE2-CD 3.31Å; E26-R90 IonicContact OE2-CZ 2.92Å; E26-R90 IonicContact OE2-NE 2.85Å; E26-R90 IonicContact OE2-NH1 3.91Å; E26-R90 PolarHBondContact OE2-NH1 2.86Å; E26-F94 HydrophobicContact CG-CE2 4.2Å | ||
| 27 | E | 96.9 | Very high | 97.9 | Very high | 85 Ų | 85 | 65 Ų | 65 | 40% | 0.397 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.3 | -31.1 | -179.4 | -72 | 177 | -146 | 0 | 0 | 112.9 | I10 V25 Y29 I30 Q31 L54 | I10-E27 HydrophobicContact CD1-CG 4.17Å; V25-E27 PolarHBondContact O-N 3.23Å; E27-Y29 VanDerWaalsContact C-N 3.25Å; E27-Y29 PolarHBondContact O-N 3.19Å; E27-I30 PolarHBondContact O-N 3.16Å; E27-I30 VanDerWaalsContact O-N 3.09Å; E27-Q31 WeakPolarHBondContact O-CB 3.26Å; E27-Q31 VanDerWaalsContact O-CG 3.26Å; E27-Q31 WeakPolarHBondContact O-CG 3.39Å; E27-Q31 PolarHBondContact O-N 3.21Å; E27-L54 HydrophobicContact CG-CD2 4.34Å |
| 28 | D | 97.5 | Very high | 97.8 | Very high | 84 Ų | 84 | 56.9 Ų | 56.9 | 45% | 0.449 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.9 | -34.7 | 176.8 | 69.1 | -20 | 0 | 0 | 0 | 111.9 | E26 D32 R90 | E26-D28 WeakPolarHBondContact CB-OD1 3.42Å; E26-D28 PolarHBondContact O-N 3.21Å; D28-D32 PolarHBondContact O-N 3.22Å; D28-R90 IonicContact OD1-NH1 3.62Å; D28-R90 IonicContact OD2-CZ 3.24Å; D28-R90 IonicContact OD2-NH1 3.54Å; D28-R90 PolarHBondContact OD2-NH1 3.34Å |
| 29 | Y | 98.6 | Very high | 97.8 | Very high | 31 Ų | 31 | 56.8 Ų | 56.8 | 12% | 0.122 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.5 | -39.6 | 173.2 | -179.1 | -93.5 | 0 | 0 | 0 | 112.1 | V25 E26 E27 N35 I81 Y85 T88 | V25-Y29 HydrophobicContact CG1-CD1 3.85Å; E26-Y29 WeakPolarHBondContact O-CB 3.37Å; E26-Y29 PolarHBondContact O-N 3.47Å; E26-Y29 VanDerWaalsContact O-N 3.11Å; E27-Y29 VanDerWaalsContact C-N 3.25Å; E27-Y29 PolarHBondContact O-N 3.19Å; Y29-N35 HydrophobicContact CD1-CB 4.43Å; Y29-N35 HydrophobicContact CD2-CB 4.42Å; Y29-N35 WeakPolarHBondContact CD2-ND2 3.4Å; Y29-N35 HydrophobicContact CE1-CB 3.95Å; Y29-N35 HydrophobicContact CE2-CB 3.92Å; Y29-N35 VanDerWaalsContact CE2-CG 3.44Å; Y29-N35 WeakPolarHBondContact CE2-ND2 3.5Å; Y29-N35 PolarHBondContact O-ND2 3.26Å; Y29-I81 HydrophobicContact CD1-CG2 4.42Å; Y29-I81 HydrophobicContact CE1-CG2 4.26Å; Y29-Y85 AromaticContact CD1-CD2 3.58Å; Y29-Y85 HydrophobicContact CD1-CD2 3.58Å; Y29-Y85 HydrophobicContact CD1-CE2 4.4Å; Y29-Y85 HydrophobicContact CD1-CG 4.29Å; Y29-Y85 AromaticContact CD2-CD2 3.85Å; Y29-Y85 HydrophobicContact CD2-CD2 3.85Å; Y29-Y85 HydrophobicContact CD2-CE2 4.29Å; Y29-Y85 AromaticContact CE1-CD2 3.9Å; Y29-Y85 HydrophobicContact CE1-CD2 3.9Å; Y29-Y85 HydrophobicContact CE1-CG 4.35Å; Y29-Y85 HydrophobicContact CE2-CD2 4.16Å; Y29-Y85 AromaticContact CG-CD2 3.55Å; Y29-Y85 HydrophobicContact CG-CD2 3.55Å; Y29-Y85 HydrophobicContact CG-CE2 4Å; Y29-T88 HydrophobicContact CD2-CG2 4.44Å; Y29-T88 HydrophobicContact CE2-CG2 3.65Å |
| 30 | I | 98.4 | Very high | 97.7 | Very high | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -72.3 | -40.7 | 179.8 | -56.1 | -178.3 | 0 | 0 | 0 | 110.8 | I10 V25 E26 E27 D32 L36 L50 I53 L54 I81 | I10-I30 HydrophobicContact CD1-CD1 3.67Å; V25-I30 HydrophobicContact CB-CD1 4.2Å; V25-I30 HydrophobicContact CB-CG1 4.5Å; V25-I30 HydrophobicContact CG1-CD1 3.92Å; V25-I30 HydrophobicContact CG1-CG1 3.68Å; E26-I30 PolarHBondContact O-N 3.43Å; E27-I30 PolarHBondContact O-N 3.16Å; E27-I30 VanDerWaalsContact O-N 3.09Å; I30-D32 PolarHBondContact O-N 3.01Å; I30-L36 HydrophobicContact CG2-CD1 4.31Å; I30-L36 VanDerWaalsContact O-CD1 3.29Å; I30-L36 WeakPolarHBondContact O-CD1 3.28Å; I30-L50 HydrophobicContact CG2-CD1 3.7Å; I30-I53 HydrophobicContact CD1-CG2 4.08Å; I30-L54 HydrophobicContact CB-CD2 4.1Å; I30-L54 HydrophobicContact CG2-CD1 4.29Å; I30-L54 HydrophobicContact CG2-CD2 3.79Å; I30-L54 HydrophobicContact CG2-CG 4.18Å; I30-I81 HydrophobicContact CD1-CG2 4.48Å; I30-I81 HydrophobicContact CG1-CG2 4.09Å; I30-I81 HydrophobicContact CG2-CD1 4.25Å |
| 31 | Q | 96.7 | Very high | 97.7 | Very high | 122 Ų | 122 | 65 Ų | 65 | 57% | 0.57 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -66.4 | -26.1 | -179.9 | -72.6 | 175.2 | -0.9 | 0 | 0 | 112.6 | E27 R33 L54 | E27-Q31 WeakPolarHBondContact O-CB 3.26Å; E27-Q31 VanDerWaalsContact O-CG 3.26Å; E27-Q31 WeakPolarHBondContact O-CG 3.39Å; E27-Q31 PolarHBondContact O-N 3.21Å; Q31-R33 PolarHBondContact O-N 3.02Å; Q31-R33 VanDerWaalsContact O-N 3.11Å; Q31-L54 HydrophobicContact CG-CD1 4.48Å; Q31-L54 HydrophobicContact CG-CD2 4.41Å |
| 32 | D | 97.7 | Very high | 97.5 | Very high | 82 Ų | 82 | 69.3 Ų | 69.3 | 44% | 0.439 | 34% | 0.34 | S | S | . | . | trans | -74.7 | 98.7 | 170.3 | -176.2 | -1.3 | 0 | 0 | 0 | 111.4 | D28 I30 F34 N35 | D28-D32 PolarHBondContact O-N 3.22Å; I30-D32 PolarHBondContact O-N 3.01Å; D32-F34 PolarHBondContact O-N 3.23Å; D32-F34 VanDerWaalsContact OD1-CB 3.31Å; D32-F34 WeakPolarHBondContact OD1-CB 3.46Å; D32-F34 PolarHBondContact OD1-N 3.06Å; D32-N35 WeakPolarHBondContact O-CB 3.35Å; D32-N35 PolarHBondContact O-N 3.3Å | ||
| 33 | R | 94.4 | Very high | 97.4 | Very high | 215 Ų | 215 | 69.4 Ų | 69.4 | 81% | 0.811 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -25.1 | -179.8 | -64.9 | -174.6 | 179.4 | -163.3 | -2.2 | 114.1 | Q31 N35 L36 T37 | Q31-R33 PolarHBondContact O-N 3.02Å; Q31-R33 VanDerWaalsContact O-N 3.11Å; R33-N35 VanDerWaalsContact C-N 3.25Å; R33-N35 PolarHBondContact O-N 3.49Å; R33-L36 PolarHBondContact O-N 3.47Å; R33-T37 PolarHBondContact O-N 3.07Å |
| 34 | F | 97.4 | Very high | 97.2 | Very high | 159 Ų | 159 | 73 Ų | 73 | 70% | 0.697 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -38.9 | 177.1 | -176.1 | -101.8 | 0 | 0 | 0 | 111.4 | D32 L36 T37 | D32-F34 PolarHBondContact O-N 3.23Å; D32-F34 VanDerWaalsContact OD1-CB 3.31Å; D32-F34 WeakPolarHBondContact OD1-CB 3.46Å; D32-F34 PolarHBondContact OD1-N 3.06Å; F34-L36 PolarHBondContact O-N 3.1Å; F34-T37 WeakPolarHBondContact O-CB 3.4Å; F34-T37 PolarHBondContact O-N 3.47Å; F34-T37 PolarHBondContact O-OG1 3.17Å |
| 35 | N | 97.8 | Very high | 97 | Very high | 35 Ų | 35 | 73 Ų | 73 | 19% | 0.187 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -24.7 | 179.6 | -62 | -36.8 | 0 | 0 | 0 | 112.7 | Y29 D32 R33 R84 | Y29-N35 HydrophobicContact CD1-CB 4.43Å; Y29-N35 HydrophobicContact CD2-CB 4.42Å; Y29-N35 WeakPolarHBondContact CD2-ND2 3.4Å; Y29-N35 HydrophobicContact CE1-CB 3.95Å; Y29-N35 HydrophobicContact CE2-CB 3.92Å; Y29-N35 VanDerWaalsContact CE2-CG 3.44Å; Y29-N35 WeakPolarHBondContact CE2-ND2 3.5Å; Y29-N35 PolarHBondContact O-ND2 3.26Å; D32-N35 WeakPolarHBondContact O-CB 3.35Å; D32-N35 PolarHBondContact O-N 3.3Å; R33-N35 VanDerWaalsContact C-N 3.25Å; R33-N35 PolarHBondContact O-N 3.49Å; N35-R84 PolarHBondContact O-NH1 2.86Å |
| 36 | L | 98 | Very high | 96.8 | Very high | 6 Ų | 6 | 75.2 Ų | 75.2 | 3% | 0.031 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 2.6 | -176.8 | -52 | -168.2 | 0 | 0 | 0 | 114 | I30 R33 F34 G38 L39 Y46 L50 I81 | I30-L36 HydrophobicContact CG2-CD1 4.31Å; I30-L36 VanDerWaalsContact O-CD1 3.29Å; I30-L36 WeakPolarHBondContact O-CD1 3.28Å; R33-L36 PolarHBondContact O-N 3.47Å; F34-L36 PolarHBondContact O-N 3.1Å; L36-G38 PolarHBondContact O-N 3Å; L36-L39 HydrophobicContact CB-CD1 4.47Å; L36-L39 HydrophobicContact CD2-CD1 4.28Å; L36-L39 WeakPolarHBondContact O-CB 3.37Å; L36-L39 WeakPolarHBondContact O-CG 3.27Å; L36-L39 PolarHBondContact O-N 2.86Å; L36-L39 VanDerWaalsContact O-N 3.12Å; L36-Y46 WeakPolarHBondContact CD1-OH 3.49Å; L36-L50 HydrophobicContact CD1-CD1 3.97Å; L36-L50 HydrophobicContact CD1-CD2 4.04Å; L36-I81 HydrophobicContact CD2-CD1 3.74Å; L36-I81 HydrophobicContact CD2-CG1 3.68Å; L36-I81 HydrophobicContact CD2-CG2 4.43Å |
| 37 | T | 97.6 | Very high | 96.7 | Very high | 88 Ų | 88 | 81.1 Ų | 81.1 | 54% | 0.54 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | 128.9 | -174.9 | -58.2 | 0 | 0 | 0 | 0 | 112.4 | R33 F34 L39 R84 | R33-T37 PolarHBondContact O-N 3.07Å; F34-T37 WeakPolarHBondContact O-CB 3.4Å; F34-T37 PolarHBondContact O-N 3.47Å; F34-T37 PolarHBondContact O-OG1 3.17Å; T37-L39 VanDerWaalsContact C-N 3.31Å; T37-L39 PolarHBondContact O-N 3.24Å; T37-R84 PolarHBondContact O-NH1 3.16Å; T37-R84 PolarHBondContact O-NH2 3.46Å |
| 38 | G | 96.8 | Very high | 96.5 | Very high | 28 Ų | 28 | 79.5 Ų | 79.5 | 29% | 0.289 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | -0.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | L36 Q42 | L36-G38 PolarHBondContact O-N 3Å; G38-Q42 PolarHBondContact O-NE2 2.92Å |
| 39 | L | 97.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 75.5 Ų | 75.5 | 1% | 0.01 | 37% | 0.365 | C | S | . | . | trans | -76.3 | -27.9 | 175.4 | -65.3 | -178.6 | 0 | 0 | 0 | 112.9 | L36 T37 E41 Q42 V43 Y46 L77 L80 I81 R84 | L36-L39 HydrophobicContact CB-CD1 4.47Å; L36-L39 HydrophobicContact CD2-CD1 4.28Å; L36-L39 WeakPolarHBondContact O-CB 3.37Å; L36-L39 WeakPolarHBondContact O-CG 3.27Å; L36-L39 PolarHBondContact O-N 2.86Å; L36-L39 VanDerWaalsContact O-N 3.12Å; T37-L39 VanDerWaalsContact C-N 3.31Å; T37-L39 PolarHBondContact O-N 3.24Å; L39-E41 PolarHBondContact O-N 3.13Å; L39-E41 VanDerWaalsContact O-N 3.17Å; L39-Q42 PolarHBondContact O-N 3.18Å; L39-V43 PolarHBondContact O-N 3.34Å; L39-Y46 HydrophobicContact CB-CE2 4.01Å; L39-L77 HydrophobicContact CB-CD1 4.09Å; L39-L77 HydrophobicContact CD1-CD1 3.99Å; L39-L80 HydrophobicContact CD2-CB 3.85Å; L39-L80 HydrophobicContact CD2-CD1 4.13Å; L39-I81 HydrophobicContact CD1-CG1 3.77Å; L39-R84 VanDerWaalsContact CD2-NH2 3.3Å | ||
| 40 | S | 96.6 | Very high | 96.4 | Very high | 70 Ų | 70 | 75.3 Ų | 75.3 | 49% | 0.49 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -18.2 | 177.9 | 59.1 | 0 | 0 | 0 | 0 | 114.1 | ||
| 41 | E | 97 | Very high | 96.2 | Very high | 177 Ų | 177 | 76.7 Ų | 76.7 | 83% | 0.827 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -12.9 | 175.3 | -62.7 | 178.6 | -176.8 | 0 | 0 | 112.5 | L39 | L39-E41 PolarHBondContact O-N 3.13Å; L39-E41 VanDerWaalsContact O-N 3.17Å |
| 42 | Q | 95.9 | Very high | 96.1 | Very high | 95 Ų | 95 | 72.7 Ų | 72.7 | 44% | 0.444 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -26.1 | -173.8 | -67.3 | 176.4 | 65.1 | 0 | 0 | 113.1 | G38 L39 M76 L80 | G38-Q42 PolarHBondContact O-NE2 2.92Å; L39-Q42 PolarHBondContact O-N 3.18Å; Q42-M76 WeakPolarHBondContact O-CE 3.4Å; Q42-L80 HydrophobicContact CB-CD1 4.41Å |
| 43 | V | 96.8 | Very high | 96.1 | Very high | 8 Ų | 8 | 68.8 Ų | 68.8 | 5% | 0.048 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -113.2 | 127.7 | -174.5 | -171.6 | 0 | 0 | 0 | 0 | 110.1 | L39 A73 M76 L77 L80 | L39-V43 PolarHBondContact O-N 3.34Å; V43-A73 HydrophobicContact CG1-CB 3.96Å; V43-A73 WeakPolarHBondContact CG1-O 3.33Å; V43-M76 HydrophobicContact CG2-CG 4.46Å; V43-L77 HydrophobicContact CG1-CB 4.06Å; V43-L77 HydrophobicContact CG2-CB 4.18Å; V43-L77 HydrophobicContact CG2-CD1 4.09Å; V43-L80 HydrophobicContact CG2-CD1 3.84Å |
| 44 | P | 94.5 | Very high | 96.2 | Very high | 82 Ų | 82 | 59.6 Ų | 59.6 | 53% | 0.532 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 155.5 | 172 | 30.4 | -34.9 | 0 | 0 | 0 | 110.9 | Y46 A73 | P44-Y46 PolarHBondContact O-N 3.27Å; P44-A73 HydrophobicContact CG-CB 4.29Å; P44-A73 VanDerWaalsContact O-CB 3.26Å; P44-A73 WeakPolarHBondContact O-CB 3.43Å |
| 45 | E | 93.4 | Very high | 96.1 | Very high | 97 Ų | 97 | 56.2 Ų | 56.2 | 45% | 0.453 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | 35.3 | 179.2 | -50.3 | -50 | 147.7 | 0 | 0 | 113.9 | R47 D48 A49 I70 | E45-R47 PolarHBondContact O-N 3.19Å; E45-D48 PolarHBondContact O-N 2.94Å; E45-A49 WeakPolarHBondContact O-CB 3.3Å; E45-A49 PolarHBondContact O-N 3.45Å; E45-I70 HydrophobicContact CB-CG1 4.26Å; E45-I70 HydrophobicContact CG-CG1 4.46Å |
| 46 | Y | 95.5 | Very high | 95.8 | Very high | 52 Ų | 52 | 58.9 Ų | 58.9 | 20% | 0.204 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -48.6 | -40.2 | -169.8 | 171.1 | -95.9 | 0 | 0 | 0 | 114 | L36 L39 P44 L50 L77 | L36-Y46 WeakPolarHBondContact CD1-OH 3.49Å; L39-Y46 HydrophobicContact CB-CE2 4.01Å; P44-Y46 PolarHBondContact O-N 3.27Å; Y46-L50 HydrophobicContact CE1-CD2 4.19Å; Y46-L50 VanDerWaalsContact O-CB 3.26Å; Y46-L50 WeakPolarHBondContact O-CB 3.42Å; Y46-L50 PolarHBondContact O-N 3Å; Y46-L77 HydrophobicContact CD2-CD1 4Å; Y46-L77 HydrophobicContact CD2-CD2 3.98Å; Y46-L77 HydrophobicContact CE2-CD1 3.7Å; Y46-L77 HydrophobicContact CE2-CD2 3.97Å |
| 47 | R | 94.5 | Very high | 95 | Very high | 184 Ų | 184 | 68.2 Ų | 68.2 | 69% | 0.694 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -67.4 | -51.4 | -178.8 | -178.3 | -179.2 | 172.5 | -172.8 | -5 | 111 | E45 A49 L50 D51 | E45-R47 PolarHBondContact O-N 3.19Å; R47-A49 VanDerWaalsContact C-N 3.29Å; R47-A49 PolarHBondContact O-N 2.83Å; R47-L50 PolarHBondContact O-N 3.2Å; R47-D51 IonicContact NE-OD2 2.75Å; R47-D51 WeakPolarHBondContact O-CB 2.96Å; R47-D51 VanDerWaalsContact O-CG 3.26Å; R47-D51 PolarHBondContact O-N 2.94Å |
| 48 | D | 93.9 | Very high | 93.8 | Very high | 51 Ų | 51 | 67.3 Ų | 67.3 | 27% | 0.273 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.8 | -35.7 | -177.6 | -57.9 | -34.1 | 0 | 0 | 0 | 110.8 | E45 D51 M52 I70 | E45-D48 PolarHBondContact O-N 2.94Å; D48-D51 PolarHBondContact O-N 3.17Å; D48-M52 WeakPolarHBondContact O-CB 3.46Å; D48-M52 PolarHBondContact O-N 3.34Å; D48-I70 HydrophobicContact CB-CD1 3.95Å; D48-I70 HydrophobicContact CB-CG1 4.07Å; D48-I70 HydrophobicContact CB-CG2 4.01Å |
| 49 | A | 95.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.5 | -44 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E45 R47 M52 I53 A73 A74 L77 | E45-A49 WeakPolarHBondContact O-CB 3.3Å; E45-A49 PolarHBondContact O-N 3.45Å; R47-A49 VanDerWaalsContact C-N 3.29Å; R47-A49 PolarHBondContact O-N 2.83Å; A49-M52 PolarHBondContact O-N 2.92Å; A49-I53 VanDerWaalsContact O-CG1 3.29Å; A49-I53 WeakPolarHBondContact O-CG1 3.46Å; A49-I53 PolarHBondContact O-N 3.46Å; A49-I53 VanDerWaalsContact O-N 3.08Å; A49-A73 HydrophobicContact CB-CB 3.77Å; A49-A74 HydrophobicContact CB-CB 4.33Å; A49-L77 HydrophobicContact CB-CD2 4.08Å |
| 50 | L | 96.9 | Very high | 90.7 | Very high | 26 Ų | 26 | 78.8 Ų | 78.8 | 14% | 0.136 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -68.8 | -41.7 | 177.8 | -177.2 | 62.1 | 0 | 0 | 0 | 111.8 | I30 L36 Y46 R47 M52 I53 L54 L77 | I30-L50 HydrophobicContact CG2-CD1 3.7Å; L36-L50 HydrophobicContact CD1-CD1 3.97Å; L36-L50 HydrophobicContact CD1-CD2 4.04Å; Y46-L50 HydrophobicContact CE1-CD2 4.19Å; Y46-L50 VanDerWaalsContact O-CB 3.26Å; Y46-L50 WeakPolarHBondContact O-CB 3.42Å; Y46-L50 PolarHBondContact O-N 3Å; R47-L50 PolarHBondContact O-N 3.2Å; L50-M52 VanDerWaalsContact C-N 3.28Å; L50-M52 PolarHBondContact O-N 2.95Å; L50-I53 PolarHBondContact O-N 3.45Å; L50-L54 HydrophobicContact CD1-CD1 4.11Å; L50-L54 HydrophobicContact CD1-CG 4.39Å; L50-L54 HydrophobicContact CG-CD1 4.13Å; L50-L54 PolarHBondContact O-N 3.37Å; L50-L54 VanDerWaalsContact O-N 3.09Å; L50-L77 HydrophobicContact CB-CD2 3.94Å; L50-L77 HydrophobicContact CD1-CD2 4.33Å |
| 51 | D | 95 | Very high | 89 | Confident | 31 Ų | 31 | 77.6 Ų | 77.6 | 17% | 0.166 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.8 | -39.8 | 177.4 | -71 | -12.8 | 0 | 0 | 0 | 109.8 | R47 D48 L54 D55 L56 T58 | R47-D51 IonicContact NE-OD2 2.75Å; R47-D51 WeakPolarHBondContact O-CB 2.96Å; R47-D51 VanDerWaalsContact O-CG 3.26Å; R47-D51 PolarHBondContact O-N 2.94Å; D48-D51 PolarHBondContact O-N 3.17Å; D51-L54 PolarHBondContact O-N 3.46Å; D51-D55 PolarHBondContact O-N 3.06Å; D51-L56 HydrophobicContact CB-CB 4.1Å; D51-L56 HydrophobicContact CB-CD1 4.47Å; D51-L56 WeakPolarHBondContact O-CB 3.41Å; D51-L56 PolarHBondContact O-N 3.03Å; D51-T58 HydrophobicContact CB-CG2 3.93Å |
| 52 | M | 94.8 | Very high | 87.3 | Confident | 38 Ų | 38 | 77.3 Ų | 77.3 | 19% | 0.187 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.4 | -46.2 | 172.3 | -179.7 | 179.6 | -75.3 | 0 | 0 | 113.2 | D48 A49 L50 L54 D55 I70 E71 A74 | D48-M52 WeakPolarHBondContact O-CB 3.46Å; D48-M52 PolarHBondContact O-N 3.34Å; A49-M52 PolarHBondContact O-N 2.92Å; L50-M52 VanDerWaalsContact C-N 3.28Å; L50-M52 PolarHBondContact O-N 2.95Å; M52-L54 PolarHBondContact O-N 2.85Å; M52-D55 PolarHBondContact O-N 3.33Å; M52-I70 HydrophobicContact CE-CB 4.35Å; M52-I70 HydrophobicContact CE-CG2 3.62Å; M52-I70 HydrophobicContact SD-CG2 4.27Å; M52-E71 HydrophobicContact CE-CG 3.87Å; M52-E71 HydrophobicContact SD-CG 4.03Å; M52-A74 HydrophobicContact CB-CB 4.4Å; M52-A74 HydrophobicContact CG-CB 4.26Å; M52-A74 HydrophobicContact SD-CB 3.72Å |
| 53 | I | 97.2 | Very high | 86 | Confident | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60.8 | -34 | 178.9 | -69.2 | 165.3 | 0 | 0 | 0 | 111.8 | W9 I10 I30 A49 L50 D55 A74 L77 Y78 | W9-I53 HydrophobicContact CD2-CG1 4.35Å; W9-I53 HydrophobicContact CE3-CB 4.25Å; 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 4.43Å; W9-I53 HydrophobicContact CZ3-CG1 3.9Å; W9-I53 HydrophobicContact CZ3-CG2 4.4Å; I10-I53 HydrophobicContact CD1-CG2 4.36Å; I10-I53 HydrophobicContact CG1-CG2 4.18Å; I30-I53 HydrophobicContact CD1-CG2 4.08Å; A49-I53 VanDerWaalsContact O-CG1 3.29Å; A49-I53 WeakPolarHBondContact O-CG1 3.46Å; A49-I53 PolarHBondContact O-N 3.46Å; A49-I53 VanDerWaalsContact O-N 3.08Å; L50-I53 PolarHBondContact O-N 3.45Å; I53-D55 VanDerWaalsContact C-N 3.33Å; I53-A74 HydrophobicContact CD1-CB 4.48Å; I53-A74 WeakPolarHBondContact CD1-O 3.35Å; I53-A74 HydrophobicContact CG1-CB 4.05Å; I53-L77 HydrophobicContact CD1-CB 3.91Å; I53-L77 HydrophobicContact CD1-CD2 3.82Å; I53-L77 HydrophobicContact CD1-CG 3.77Å; I53-Y78 HydrophobicContact CG2-CD2 4.1Å |
| 54 | L | 96.9 | Very high | 84.9 | Confident | 23 Ų | 23 | 80.8 Ų | 80.8 | 12% | 0.12 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 12.4 | -178.3 | -68.5 | 177 | 0 | 0 | 0 | 113.3 | E27 I30 Q31 L50 D51 M52 L56 | E27-L54 HydrophobicContact CG-CD2 4.34Å; I30-L54 HydrophobicContact CB-CD2 4.1Å; I30-L54 HydrophobicContact CG2-CD1 4.29Å; I30-L54 HydrophobicContact CG2-CD2 3.79Å; I30-L54 HydrophobicContact CG2-CG 4.18Å; Q31-L54 HydrophobicContact CG-CD1 4.48Å; Q31-L54 HydrophobicContact CG-CD2 4.41Å; L50-L54 HydrophobicContact CD1-CD1 4.11Å; L50-L54 HydrophobicContact CD1-CG 4.39Å; L50-L54 HydrophobicContact CG-CD1 4.13Å; L50-L54 PolarHBondContact O-N 3.37Å; L50-L54 VanDerWaalsContact O-N 3.09Å; D51-L54 PolarHBondContact O-N 3.46Å; M52-L54 PolarHBondContact O-N 2.85Å; L54-L56 HydrophobicContact CB-CD1 4.2Å; L54-L56 HydrophobicContact CB-CG 3.9Å; L54-L56 PolarHBondContact O-N 3.28Å; L54-L56 VanDerWaalsContact O-N 3.14Å |
| 55 | D | 94.7 | Very high | 84 | Confident | 88 Ų | 88 | 83.6 Ų | 83.6 | 47% | 0.471 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 35 | -178.9 | -63.2 | -61.6 | 0 | 0 | 0 | 113 | S8 W9 D51 M52 I53 | S8-D55 WeakPolarHBondContact CA-OD2 3.01Å; S8-D55 VanDerWaalsContact CB-OD2 3.25Å; S8-D55 WeakPolarHBondContact CB-OD2 3.4Å; W9-D55 WeakPolarHBondContact CB-OD1 3.29Å; W9-D55 PolarHBondContact N-OD1 3.36Å; W9-D55 VanDerWaalsContact N-OD1 3.14Å; W9-D55 PolarHBondContact N-OD2 2.74Å; D51-D55 PolarHBondContact O-N 3.06Å; M52-D55 PolarHBondContact O-N 3.33Å; I53-D55 VanDerWaalsContact C-N 3.33Å |
| 56 | L | 92.4 | Very high | 83.5 | Confident | 91 Ų | 91 | 81.2 Ų | 81.2 | 48% | 0.476 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -84.9 | 141 | 177 | -57.9 | -178.7 | 0 | 0 | 0 | 110.4 | D51 L54 T58 | D51-L56 HydrophobicContact CB-CB 4.1Å; D51-L56 HydrophobicContact CB-CD1 4.47Å; D51-L56 WeakPolarHBondContact O-CB 3.41Å; D51-L56 PolarHBondContact O-N 3.03Å; L54-L56 HydrophobicContact CB-CD1 4.2Å; L54-L56 HydrophobicContact CB-CG 3.9Å; L54-L56 PolarHBondContact O-N 3.28Å; L54-L56 VanDerWaalsContact O-N 3.14Å; L56-T58 PolarHBondContact O-N 3.32Å; L56-T58 VanDerWaalsContact O-N 3.11Å |
| 57 | E | 81 | Confident | 83.1 | Confident | 201 Ų | 201 | 81.2 Ų | 81.2 | 94% | 0.939 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 117.2 | 175 | -70.2 | -175 | 171.6 | 0 | 0 | 110.1 | ||
| 58 | T | 71.5 | Confident | 82.9 | Confident | 70 Ų | 70 | 77 Ų | 77 | 43% | 0.429 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -96 | 141.2 | 169.9 | 46.2 | 0 | 0 | 0 | 0 | 109.3 | D51 L56 P60 | D51-T58 HydrophobicContact CB-CG2 3.93Å; L56-T58 PolarHBondContact O-N 3.32Å; L56-T58 VanDerWaalsContact O-N 3.11Å; T58-P60 WeakPolarHBondContact O-CD 3.5Å |
| 59 | D | 69.9 | Low | 82.8 | Confident | 161 Ų | 161 | 79.3 Ų | 79.3 | 86% | 0.861 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 121.2 | 169.2 | -90 | -39 | 0 | 0 | 0 | 107.2 | S61 | D59-S61 PolarHBondContact O-N 2.79Š|
| 60 | P | 60.4 | Low | 82.7 | Confident | 110 Ų | 110 | 80.1 Ų | 80.1 | 71% | 0.714 | 43% | 0.434 | S | S | * | . | trans | -59.7 | 111.3 | -175.3 | 21.4 | -30.6 | 0 | 0 | 0 | 108.7 | T58 D62 | T58-P60 WeakPolarHBondContact O-CD 3.5Å; P60-D62 PolarHBondContact O-N 2.83Å | ||
| 61 | S | 61.6 | Low | 82.6 | Confident | 44 Ų | 44 | 83.1 Ų | 83.1 | 31% | 0.308 | 45% | 0.448 | S | S | . | . | trans | -67.2 | 124.7 | 173.4 | 71.4 | 0 | 0 | 0 | 0 | 108.1 | D59 N63 N66 | D59-S61 PolarHBondContact O-N 2.79Å; S61-N63 PolarHBondContact O-N 3.36Å; S61-N66 WeakPolarHBondContact CB-ND2 3.31Å; S61-N66 PolarHBondContact OG-ND2 2.96Å | ||
| 62 | D | 61.4 | Low | 82.6 | Confident | 172 Ų | 172 | 87.6 Ų | 87.6 | 92% | 0.92 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -61.2 | -7.9 | -177.5 | -75.3 | -38 | 0 | 0 | 0 | 114.1 | P60 | P60-D62 PolarHBondContact O-N 2.83Š|
| 63 | N | 68 | Low | 82.7 | Confident | 78 Ų | 78 | 85.9 Ų | 85.9 | 42% | 0.417 | 46% | 0.46 | S | S | . | . | trans | -106.9 | 113.9 | -177.8 | -171.3 | 7 | 0 | 0 | 0 | 112.2 | S61 E65 N66 | S61-N63 PolarHBondContact O-N 3.36Å; N63-E65 PolarHBondContact O-N 3.11Å; N63-E65 PolarHBondContact OD1-N 3.21Å; N63-N66 HydrophobicContact CB-CB 4.33Å; N63-N66 VanDerWaalsContact O-CB 3.29Å; N63-N66 WeakPolarHBondContact O-CB 3.44Å; N63-N66 PolarHBondContact O-N 2.54Å | ||
| 64 | P | 74 | Confident | 82.8 | Confident | 97 Ų | 97 | 85.9 Ų | 85.9 | 63% | 0.63 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -55.9 | -34.2 | 176.9 | -23.6 | 32 | 0 | 0 | 0 | 114.3 | N66 T67 D68 | P64-N66 PolarHBondContact O-N 3.11Å; P64-T67 WeakPolarHBondContact O-CB 3.29Å; P64-T67 PolarHBondContact O-N 3.31Å; P64-T67 VanDerWaalsContact O-N 3.12Å; P64-D68 PolarHBondContact O-N 3.37Å |
| 65 | E | 76 | Confident | 82.8 | Confident | 142 Ų | 142 | 88.6 Ų | 88.6 | 66% | 0.664 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -63.2 | -27.2 | 178.8 | -66.3 | -178.2 | 159.9 | 0 | 0 | 112.4 | N63 L69 | N63-E65 PolarHBondContact O-N 3.11Å; N63-E65 PolarHBondContact OD1-N 3.21Å; E65-L69 WeakPolarHBondContact O-CG 3.4Å |
| 66 | N | 83.1 | Confident | 83 | Confident | 46 Ų | 46 | 86.6 Ų | 86.6 | 25% | 0.246 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -73.4 | -34.1 | 177.8 | -163.4 | 50.1 | 0 | 0 | 0 | 111.1 | S61 N63 P64 L69 I70 | S61-N66 WeakPolarHBondContact CB-ND2 3.31Å; S61-N66 PolarHBondContact OG-ND2 2.96Å; N63-N66 HydrophobicContact CB-CB 4.33Å; N63-N66 VanDerWaalsContact O-CB 3.29Å; N63-N66 WeakPolarHBondContact O-CB 3.44Å; N63-N66 PolarHBondContact O-N 2.54Å; P64-N66 PolarHBondContact O-N 3.11Å; N66-L69 PolarHBondContact O-N 2.93Å; N66-I70 WeakPolarHBondContact O-CD1 3.15Å; N66-I70 VanDerWaalsContact O-CG1 3.25Å; N66-I70 WeakPolarHBondContact O-CG1 3.33Å; N66-I70 PolarHBondContact O-N 2.81Å |
| 67 | T | 85.8 | Confident | 83.3 | Confident | 53 Ų | 53 | 82.2 Ų | 82.2 | 33% | 0.325 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.5 | -48.2 | 177.2 | -50.7 | 0 | 0 | 0 | 0 | 111.5 | P64 L69 I70 E71 | P64-T67 WeakPolarHBondContact O-CB 3.29Å; P64-T67 PolarHBondContact O-N 3.31Å; P64-T67 VanDerWaalsContact O-N 3.12Å; T67-L69 PolarHBondContact O-N 2.89Å; T67-I70 PolarHBondContact O-N 3.43Å; T67-I70 VanDerWaalsContact O-N 3.12Å; T67-E71 WeakPolarHBondContact O-CG 3.48Å; T67-E71 PolarHBondContact O-N 3.26Å |
| 68 | D | 90.6 | Very high | 84.2 | Confident | 95 Ų | 95 | 72.7 Ų | 72.7 | 51% | 0.508 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.1 | -33.8 | 179.7 | -71.4 | -6.7 | 0 | 0 | 0 | 112.5 | P64 Q72 | P64-D68 PolarHBondContact O-N 3.37Å; D68-Q72 WeakPolarHBondContact O-CG 3.36Å; D68-Q72 PolarHBondContact O-N 3.13Å; D68-Q72 PolarHBondContact O-NE2 3.08Å; D68-Q72 VanDerWaalsContact O-NE2 3.09Å |
| 69 | L | 92.5 | Very high | 85.5 | Confident | 99 Ų | 99 | 69.3 Ų | 69.3 | 52% | 0.518 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -70.9 | -41.2 | 176.1 | -71.2 | 172.6 | 0 | 0 | 0 | 111.6 | E65 N66 T67 Q72 A73 | E65-L69 WeakPolarHBondContact O-CG 3.4Å; N66-L69 PolarHBondContact O-N 2.93Å; T67-L69 PolarHBondContact O-N 2.89Å; L69-Q72 PolarHBondContact O-N 3.15Å; L69-A73 WeakPolarHBondContact O-CB 3.13Å; L69-A73 PolarHBondContact O-N 3.38Å |
| 70 | I | 93.9 | Very high | 86.8 | Confident | 17 Ų | 17 | 62 Ų | 62 | 9% | 0.087 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.1 | -41 | 176.8 | -65.6 | 163.5 | 0 | 0 | 0 | 110.4 | E45 D48 M52 N66 T67 A73 A74 | E45-I70 HydrophobicContact CB-CG1 4.26Å; E45-I70 HydrophobicContact CG-CG1 4.46Å; D48-I70 HydrophobicContact CB-CD1 3.95Å; D48-I70 HydrophobicContact CB-CG1 4.07Å; D48-I70 HydrophobicContact CB-CG2 4.01Å; M52-I70 HydrophobicContact CE-CB 4.35Å; M52-I70 HydrophobicContact CE-CG2 3.62Å; M52-I70 HydrophobicContact SD-CG2 4.27Å; N66-I70 WeakPolarHBondContact O-CD1 3.15Å; N66-I70 VanDerWaalsContact O-CG1 3.25Å; N66-I70 WeakPolarHBondContact O-CG1 3.33Å; N66-I70 PolarHBondContact O-N 2.81Å; T67-I70 PolarHBondContact O-N 3.43Å; T67-I70 VanDerWaalsContact O-N 3.12Å; I70-A73 WeakPolarHBondContact O-CB 3.49Å; I70-A73 PolarHBondContact O-N 2.94Å; I70-A74 WeakPolarHBondContact O-CB 3.17Å; I70-A74 PolarHBondContact O-N 2.72Å |
| 71 | E | 93.9 | Very high | 88.7 | Confident | 90 Ų | 90 | 56.9 Ų | 56.9 | 42% | 0.421 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.4 | -48.4 | 175.8 | -73.3 | -178 | -177.9 | 0 | 0 | 111.4 | M52 T67 A73 A74 E75 | M52-E71 HydrophobicContact CE-CG 3.87Å; M52-E71 HydrophobicContact SD-CG 4.03Å; T67-E71 WeakPolarHBondContact O-CG 3.48Å; T67-E71 PolarHBondContact O-N 3.26Å; E71-A73 VanDerWaalsContact C-N 3.31Å; E71-A73 PolarHBondContact O-N 3.08Å; E71-A74 WeakPolarHBondContact O-CB 3.46Å; E71-A74 PolarHBondContact O-N 2.95Å; E71-E75 WeakPolarHBondContact O-CG 3.48Å; E71-E75 PolarHBondContact O-N 3.38Å |
| 72 | Q | 95.7 | Very high | 90.4 | Very high | 124 Ų | 124 | 54.8 Ų | 54.8 | 58% | 0.579 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -62.2 | -38.7 | 176.2 | -73.6 | 169 | 60.9 | 0 | 0 | 112.4 | D68 L69 E75 M76 | D68-Q72 WeakPolarHBondContact O-CG 3.36Å; D68-Q72 PolarHBondContact O-N 3.13Å; D68-Q72 PolarHBondContact O-NE2 3.08Å; D68-Q72 VanDerWaalsContact O-NE2 3.09Å; L69-Q72 PolarHBondContact O-N 3.15Å; Q72-E75 PolarHBondContact O-N 2.92Å; Q72-M76 WeakPolarHBondContact O-CB 3.21Å; Q72-M76 PolarHBondContact O-N 3.1Å |
| 73 | A | 97.2 | Very high | 92.2 | Very high | 2 Ų | 2 | 47.5 Ų | 47.5 | 2% | 0.017 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65 | -39.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V43 P44 A49 L69 I70 E71 M76 L77 | V43-A73 HydrophobicContact CG1-CB 3.96Å; V43-A73 WeakPolarHBondContact CG1-O 3.33Å; P44-A73 HydrophobicContact CG-CB 4.29Å; P44-A73 VanDerWaalsContact O-CB 3.26Å; P44-A73 WeakPolarHBondContact O-CB 3.43Å; A49-A73 HydrophobicContact CB-CB 3.77Å; L69-A73 WeakPolarHBondContact O-CB 3.13Å; L69-A73 PolarHBondContact O-N 3.38Å; I70-A73 WeakPolarHBondContact O-CB 3.49Å; I70-A73 PolarHBondContact O-N 2.94Å; E71-A73 VanDerWaalsContact C-N 3.31Å; E71-A73 PolarHBondContact O-N 3.08Å; A73-M76 PolarHBondContact O-N 3.39Å; A73-L77 WeakPolarHBondContact O-CB 3.23Å; A73-L77 PolarHBondContact O-N 3.04Å |
| 74 | A | 97.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.1 | -45.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | W9 A49 M52 I53 I70 E71 M76 L77 Y78 | W9-A74 HydrophobicContact CZ2-CB 3.83Å; A49-A74 HydrophobicContact CB-CB 4.33Å; M52-A74 HydrophobicContact CB-CB 4.4Å; M52-A74 HydrophobicContact CG-CB 4.26Å; M52-A74 HydrophobicContact SD-CB 3.72Å; I53-A74 HydrophobicContact CD1-CB 4.48Å; I53-A74 WeakPolarHBondContact CD1-O 3.35Å; I53-A74 HydrophobicContact CG1-CB 4.05Å; I70-A74 WeakPolarHBondContact O-CB 3.17Å; I70-A74 PolarHBondContact O-N 2.72Å; E71-A74 WeakPolarHBondContact O-CB 3.46Å; E71-A74 PolarHBondContact O-N 2.95Å; A74-M76 PolarHBondContact O-N 3.28Å; A74-L77 PolarHBondContact O-N 3.15Å; A74-Y78 VanDerWaalsContact O-CB 3.32Å; A74-Y78 WeakPolarHBondContact O-CB 3.27Å; A74-Y78 PolarHBondContact O-N 2.86Å |
| 75 | E | 98.2 | Very high | 94.9 | Very high | 80 Ų | 80 | 42.7 Ų | 42.7 | 37% | 0.374 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.2 | -46.4 | 175.1 | -65 | -170.1 | 175.2 | 0 | 0 | 112.1 | W9 F13 E71 Q72 G79 | W9-E75 HydrophobicContact CZ2-CG 4.44Å; F13-E75 HydrophobicContact CD2-CG 4.17Å; F13-E75 HydrophobicContact CE2-CB 4.03Å; F13-E75 HydrophobicContact CE2-CG 3.68Å; E71-E75 WeakPolarHBondContact O-CG 3.48Å; E71-E75 PolarHBondContact O-N 3.38Å; Q72-E75 PolarHBondContact O-N 2.92Å; E75-G79 PolarHBondContact O-N 3.36Å |
| 76 | M | 98.3 | Very high | 96 | Very high | 46 Ų | 46 | 35.9 Ų | 35.9 | 23% | 0.227 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.7 | -46.7 | 177.8 | -177.8 | -179.8 | 173.9 | 0 | 0 | 111.5 | Q42 V43 Q72 A73 A74 G79 L80 P126 | Q42-M76 WeakPolarHBondContact O-CE 3.4Å; V43-M76 HydrophobicContact CG2-CG 4.46Å; Q72-M76 WeakPolarHBondContact O-CB 3.21Å; Q72-M76 PolarHBondContact O-N 3.1Å; A73-M76 PolarHBondContact O-N 3.39Å; A74-M76 PolarHBondContact O-N 3.28Å; M76-G79 PolarHBondContact O-N 2.87Å; M76-L80 HydrophobicContact CE-CD1 4.25Å; M76-L80 HydrophobicContact CG-CD1 4.43Å; M76-L80 WeakPolarHBondContact O-CG 3.42Å; M76-L80 PolarHBondContact O-N 2.85Å; M76-P126 HydrophobicContact CE-CB 4.24Å; M76-P126 HydrophobicContact CE-CG 4.12Å |
| 77 | L | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.9 | -48.3 | 179.1 | 178.5 | 55.7 | 0 | 0 | 0 | 111.1 | L39 V43 Y46 A49 L50 I53 A73 A74 G79 L80 I81 | L39-L77 HydrophobicContact CB-CD1 4.09Å; L39-L77 HydrophobicContact CD1-CD1 3.99Å; V43-L77 HydrophobicContact CG1-CB 4.06Å; V43-L77 HydrophobicContact CG2-CB 4.18Å; V43-L77 HydrophobicContact CG2-CD1 4.09Å; Y46-L77 HydrophobicContact CD2-CD1 4Å; Y46-L77 HydrophobicContact CD2-CD2 3.98Å; Y46-L77 HydrophobicContact CE2-CD1 3.7Å; Y46-L77 HydrophobicContact CE2-CD2 3.97Å; A49-L77 HydrophobicContact CB-CD2 4.08Å; L50-L77 HydrophobicContact CB-CD2 3.94Å; L50-L77 HydrophobicContact CD1-CD2 4.33Å; I53-L77 HydrophobicContact CD1-CB 3.91Å; I53-L77 HydrophobicContact CD1-CD2 3.82Å; I53-L77 HydrophobicContact CD1-CG 3.77Å; A73-L77 WeakPolarHBondContact O-CB 3.23Å; A73-L77 PolarHBondContact O-N 3.04Å; A74-L77 PolarHBondContact O-N 3.15Å; L77-G79 VanDerWaalsContact C-N 3.28Å; L77-G79 PolarHBondContact O-N 2.85Å; L77-L80 PolarHBondContact O-N 2.9Å; L77-L80 VanDerWaalsContact O-N 3.13Å; L77-I81 HydrophobicContact CD1-CD1 3.98Å; L77-I81 HydrophobicContact CD1-CG1 4.14Å; L77-I81 HydrophobicContact CG-CD1 3.86Å; L77-I81 HydrophobicContact CG-CG1 4.43Å; L77-I81 VanDerWaalsContact O-CG1 3.28Å; L77-I81 WeakPolarHBondContact O-CG1 3.33Å; L77-I81 PolarHBondContact O-N 3.42Å |
| 78 | Y | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.6 | -41.5 | 177.8 | -175.6 | -102.2 | 0 | 0 | 0 | 111.4 | W9 I10 F13 C14 F22 C23 V25 I53 A74 L80 I81 H82 | W9-Y78 HydrophobicContact CH2-CD1 4.48Å; W9-Y78 HydrophobicContact CH2-CG 4.04Å; W9-Y78 HydrophobicContact CZ3-CD1 4.08Å; W9-Y78 AromaticContact CZ3-CD2 3.77Å; W9-Y78 HydrophobicContact CZ3-CD2 3.77Å; W9-Y78 HydrophobicContact CZ3-CE2 4.48Å; W9-Y78 AromaticContact CZ3-CG 3.54Å; W9-Y78 HydrophobicContact CZ3-CG 3.54Å; I10-Y78 HydrophobicContact CB-CE2 4.41Å; I10-Y78 HydrophobicContact CD1-CE2 4.22Å; I10-Y78 HydrophobicContact CG1-CD2 4.41Å; I10-Y78 HydrophobicContact CG1-CE2 3.86Å; I10-Y78 HydrophobicContact CG2-CE2 3.97Å; I10-Y78 WeakPolarHBondContact CG2-OH 3.26Å; F13-Y78 AromaticContact CD1-CD1 3.5Å; F13-Y78 HydrophobicContact CD1-CD1 3.5Å; F13-Y78 VanDerWaalsContact CD1-CD1 3.5Å; F13-Y78 AromaticContact CD1-CE1 3.58Å; F13-Y78 HydrophobicContact CD1-CE1 3.58Å; F13-Y78 HydrophobicContact CD1-CG 4.49Å; F13-Y78 AromaticContact CE1-CD1 3.45Å; F13-Y78 HydrophobicContact CE1-CD1 3.45Å; F13-Y78 VanDerWaalsContact CE1-CD1 3.45Å; F13-Y78 AromaticContact CE1-CE1 3.77Å; F13-Y78 HydrophobicContact CE1-CE1 3.77Å; F13-Y78 HydrophobicContact CG-CD1 4.41Å; F13-Y78 HydrophobicContact CZ-CD1 4.34Å; C14-Y78 PolarHBondContact SG-OH 2.84Å; C14-Y78 VanDerWaalsContact SG-OH 3.41Å; F22-Y78 HydrophobicContact CD1-CE1 4.23Å; C23-Y78 PolarHBondContact O-OH 3.37Å; V25-Y78 HydrophobicContact CB-CE2 4Å; V25-Y78 HydrophobicContact CG2-CE2 3.89Å; V25-Y78 PolarHBondContact N-OH 3.5Å; V25-Y78 VanDerWaalsContact N-OH 3.08Å; I53-Y78 HydrophobicContact CG2-CD2 4.1Å; A74-Y78 VanDerWaalsContact O-CB 3.32Å; A74-Y78 WeakPolarHBondContact O-CB 3.27Å; A74-Y78 PolarHBondContact O-N 2.86Å; Y78-L80 PolarHBondContact O-N 2.85Å; Y78-I81 PolarHBondContact O-N 3.4Å; Y78-H82 VanDerWaalsContact O-CB 3.23Å; Y78-H82 WeakPolarHBondContact O-CB 3.45Å; Y78-H82 PolarHBondContact O-N 3.26Å |
| 79 | G | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.1 | -44.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E75 M76 L77 H82 S83 Y156 | E75-G79 PolarHBondContact O-N 3.36Å; M76-G79 PolarHBondContact O-N 2.87Å; L77-G79 VanDerWaalsContact C-N 3.28Å; L77-G79 PolarHBondContact O-N 2.85Å; G79-H82 WeakPolarHBondContact O-CB 3.45Å; G79-H82 PolarHBondContact O-N 2.97Å; G79-S83 PolarHBondContact O-N 3.06Å; G79-Y156 VanDerWaalsContact C-CD1 3.44Å; G79-Y156 VanDerWaalsContact CA-CD1 3.48Å; G79-Y156 VanDerWaalsContact CA-CG 3.42Å; G79-Y156 VanDerWaalsContact O-CA 3.27Å; G79-Y156 WeakPolarHBondContact O-CA 3.5Å |
| 80 | L | 98.8 | Very high | 98 | Very high | 8 Ų | 8 | 39 Ų | 39 | 4% | 0.042 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -70.4 | -32.4 | 177.2 | -67.8 | 177.3 | 0 | 0 | 0 | 113.4 | L39 Q42 V43 M76 L77 Y78 S83 P126 Y156 | L39-L80 HydrophobicContact CD2-CB 3.85Å; L39-L80 HydrophobicContact CD2-CD1 4.13Å; Q42-L80 HydrophobicContact CB-CD1 4.41Å; V43-L80 HydrophobicContact CG2-CD1 3.84Å; M76-L80 HydrophobicContact CE-CD1 4.25Å; M76-L80 HydrophobicContact CG-CD1 4.43Å; M76-L80 WeakPolarHBondContact O-CG 3.42Å; M76-L80 PolarHBondContact O-N 2.85Å; L77-L80 PolarHBondContact O-N 2.9Å; L77-L80 VanDerWaalsContact O-N 3.13Å; Y78-L80 PolarHBondContact O-N 2.85Å; L80-S83 PolarHBondContact O-OG 3.48Å; L80-P126 HydrophobicContact CD2-CG 3.88Å; L80-Y156 HydrophobicContact CD2-CD1 4.48Å; L80-Y156 HydrophobicContact CG-CE1 4.47Å |
| 81 | I | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.5 | -46.3 | 171.5 | -69.3 | 173.4 | 0 | 0 | 0 | 109.6 | V25 Y29 I30 L36 L39 L77 Y78 S83 R84 Y85 | V25-I81 HydrophobicContact CG1-CG2 4.04Å; V25-I81 HydrophobicContact CG2-CG2 4.49Å; Y29-I81 HydrophobicContact CD1-CG2 4.42Å; Y29-I81 HydrophobicContact CE1-CG2 4.26Å; I30-I81 HydrophobicContact CD1-CG2 4.48Å; I30-I81 HydrophobicContact CG1-CG2 4.09Å; I30-I81 HydrophobicContact CG2-CD1 4.25Å; L36-I81 HydrophobicContact CD2-CD1 3.74Å; L36-I81 HydrophobicContact CD2-CG1 3.68Å; L36-I81 HydrophobicContact CD2-CG2 4.43Å; L39-I81 HydrophobicContact CD1-CG1 3.77Å; L77-I81 HydrophobicContact CD1-CD1 3.98Å; L77-I81 HydrophobicContact CD1-CG1 4.14Å; L77-I81 HydrophobicContact CG-CD1 3.86Å; L77-I81 HydrophobicContact CG-CG1 4.43Å; L77-I81 VanDerWaalsContact O-CG1 3.28Å; L77-I81 WeakPolarHBondContact O-CG1 3.33Å; L77-I81 PolarHBondContact O-N 3.42Å; Y78-I81 PolarHBondContact O-N 3.4Å; I81-S83 VanDerWaalsContact C-N 3.33Å; I81-S83 PolarHBondContact O-N 3.44Å; I81-R84 WeakPolarHBondContact O-CB 3.44Å; I81-R84 PolarHBondContact O-N 3.37Å; I81-R84 VanDerWaalsContact O-N 3.14Å; I81-Y85 WeakPolarHBondContact O-CB 3.23Å; I81-Y85 PolarHBondContact O-N 3.36Å |
| 82 | H | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.7 | -43.1 | -179.2 | -179.5 | -91 | 0 | 0 | 0 | 111.6 | F22 C23 V25 Y78 G79 R84 Y85 I86 Y156 F157 | F22-H82 HydrophobicContact CD1-CB 4.22Å; F22-H82 AromaticContact CD1-CD2 3.73Å; F22-H82 AromaticContact CD1-CE1 3.79Å; F22-H82 AromaticContact CD1-CG 3.64Å; F22-H82 AromaticContact CD1-ND1 3.68Å; F22-H82 AromaticContact CD1-NE2 3.83Å; F22-H82 HydrophobicContact CE1-CB 4.38Å; C23-H82 PolarHBondContact N-NE2 2.7Å; C23-H82 PolarHBondContact O-CD2 3.45Å; C23-H82 PolarHBondContact SG-NE2 3.28Å; C23-H82 VanDerWaalsContact SG-NE2 3.41Å; V25-H82 HydrophobicContact CG2-CB 4.23Å; Y78-H82 VanDerWaalsContact O-CB 3.23Å; Y78-H82 WeakPolarHBondContact O-CB 3.45Å; Y78-H82 PolarHBondContact O-N 3.26Å; G79-H82 WeakPolarHBondContact O-CB 3.45Å; G79-H82 PolarHBondContact O-N 2.97Å; H82-R84 PolarHBondContact O-N 3.01Å; H82-Y85 PolarHBondContact O-N 3.18Å; H82-Y85 VanDerWaalsContact O-N 3.12Å; H82-I86 WeakPolarHBondContact O-CG1 3.27Å; H82-I86 WeakPolarHBondContact O-CG2 3.39Å; H82-I86 PolarHBondContact O-N 3.23Å; H82-Y156 PolarHBondContact ND1-O 3.49Å; H82-F157 AromaticContact CE1-CD1 3.9Å; H82-F157 AromaticContact CE1-CE1 3.75Å |
| 83 | S | 98.8 | Very high | 98.6 | Very high | 20 Ų | 20 | 31.6 Ų | 31.6 | 14% | 0.14 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.7 | -32.4 | 178.7 | 73.4 | 0 | 0 | 0 | 0 | 113.2 | G79 L80 I81 A155 Y156 | G79-S83 PolarHBondContact O-N 3.06Å; L80-S83 PolarHBondContact O-OG 3.48Å; I81-S83 VanDerWaalsContact C-N 3.33Å; I81-S83 PolarHBondContact O-N 3.44Å; S83-A155 WeakPolarHBondContact CB-O 3.32Å; S83-Y156 WeakPolarHBondContact CA-O 3.23Å; S83-Y156 WeakPolarHBondContact CB-O 3.32Å; S83-Y156 PolarHBondContact N-O 3.07Å |
| 84 | R | 98.8 | Very high | 98.6 | Very high | 72 Ų | 72 | 35.8 Ų | 35.8 | 27% | 0.272 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -75.6 | -45.4 | 171.9 | -61.7 | 178.1 | -179.8 | -158.3 | -1.5 | 111.4 | N35 T37 L39 I81 H82 I86 L87 | N35-R84 PolarHBondContact O-NH1 2.86Å; T37-R84 PolarHBondContact O-NH1 3.16Å; T37-R84 PolarHBondContact O-NH2 3.46Å; L39-R84 VanDerWaalsContact CD2-NH2 3.3Å; I81-R84 WeakPolarHBondContact O-CB 3.44Å; I81-R84 PolarHBondContact O-N 3.37Å; I81-R84 VanDerWaalsContact O-N 3.14Å; H82-R84 PolarHBondContact O-N 3.01Å; R84-I86 VanDerWaalsContact C-N 3.34Å; R84-I86 PolarHBondContact O-N 3.32Å; R84-L87 WeakPolarHBondContact O-CB 3.21Å; R84-L87 PolarHBondContact O-N 3.06Å; R84-L87 VanDerWaalsContact O-N 3.13Å |
| 85 | Y | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.4 | -43.4 | -175.5 | 179.6 | -112.9 | 0 | 0 | 0 | 112.3 | V25 E26 Y29 I81 H82 L87 T88 F94 | V25-Y85 HydrophobicContact CB-CD1 4.12Å; V25-Y85 HydrophobicContact CB-CE1 4.4Å; V25-Y85 HydrophobicContact CB-CG 4.27Å; V25-Y85 HydrophobicContact CG1-CD1 4.05Å; V25-Y85 HydrophobicContact CG1-CD2 3.82Å; V25-Y85 HydrophobicContact CG1-CE1 4.42Å; V25-Y85 HydrophobicContact CG1-CE2 4.23Å; V25-Y85 HydrophobicContact CG1-CG 3.71Å; V25-Y85 HydrophobicContact CG2-CD1 3.7Å; V25-Y85 HydrophobicContact CG2-CE1 4.36Å; V25-Y85 HydrophobicContact CG2-CG 3.95Å; E26-Y85 WeakPolarHBondContact CG-OH 3.47Å; Y29-Y85 AromaticContact CD1-CD2 3.58Å; Y29-Y85 HydrophobicContact CD1-CD2 3.58Å; Y29-Y85 HydrophobicContact CD1-CE2 4.4Å; Y29-Y85 HydrophobicContact CD1-CG 4.29Å; Y29-Y85 AromaticContact CD2-CD2 3.85Å; Y29-Y85 HydrophobicContact CD2-CD2 3.85Å; Y29-Y85 HydrophobicContact CD2-CE2 4.29Å; Y29-Y85 AromaticContact CE1-CD2 3.9Å; Y29-Y85 HydrophobicContact CE1-CD2 3.9Å; Y29-Y85 HydrophobicContact CE1-CG 4.35Å; Y29-Y85 HydrophobicContact CE2-CD2 4.16Å; Y29-Y85 AromaticContact CG-CD2 3.55Å; Y29-Y85 HydrophobicContact CG-CD2 3.55Å; Y29-Y85 HydrophobicContact CG-CE2 4Å; I81-Y85 WeakPolarHBondContact O-CB 3.23Å; I81-Y85 PolarHBondContact O-N 3.36Å; H82-Y85 PolarHBondContact O-N 3.18Å; H82-Y85 VanDerWaalsContact O-N 3.12Å; Y85-L87 PolarHBondContact O-N 3.39Å; Y85-L87 VanDerWaalsContact O-N 3.08Å; Y85-T88 WeakPolarHBondContact O-CB 3.16Å; Y85-T88 WeakPolarHBondContact O-CG2 3.42Å; Y85-T88 PolarHBondContact O-N 3.49Å; Y85-T88 PolarHBondContact O-OG1 3.48Å; Y85-F94 HydrophobicContact CE1-CD2 4.28Å; Y85-F94 WeakPolarHBondContact OH-CD2 3.44Å; Y85-F94 WeakPolarHBondContact OH-CE2 3.38Å |
| 86 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -3.6 | -178.5 | 68.6 | 178.8 | 0 | 0 | 0 | 114.1 | H82 R84 I92 M95 F157 F161 | H82-I86 WeakPolarHBondContact O-CG1 3.27Å; H82-I86 WeakPolarHBondContact O-CG2 3.39Å; H82-I86 PolarHBondContact O-N 3.23Å; R84-I86 VanDerWaalsContact C-N 3.34Å; R84-I86 PolarHBondContact O-N 3.32Å; I86-I92 VanDerWaalsContact O-CG1 3.23Å; I86-I92 WeakPolarHBondContact O-CG1 2.94Å; I86-M95 HydrophobicContact CB-CG 4.02Å; I86-M95 HydrophobicContact CG2-CE 4.5Å; I86-M95 HydrophobicContact CG2-CG 3.61Å; I86-M95 HydrophobicContact CG2-SD 4.01Å; I86-F157 HydrophobicContact CD1-CB 4.36Å; I86-F157 HydrophobicContact CD1-CD1 4.33Å; I86-F157 WeakPolarHBondContact CD1-O 3.41Å; I86-F161 HydrophobicContact CB-CD2 3.84Å; I86-F161 HydrophobicContact CB-CE2 4.01Å; I86-F161 HydrophobicContact CD1-CB 3.81Å; I86-F161 HydrophobicContact CD1-CD1 3.86Å; I86-F161 HydrophobicContact CD1-CD2 3.69Å; I86-F161 HydrophobicContact CD1-CE1 4.44Å; I86-F161 HydrophobicContact CD1-CE2 4.28Å; I86-F161 HydrophobicContact CD1-CG 3.47Å; I86-F161 VanDerWaalsContact CD1-CG 3.47Å; I86-F161 HydrophobicContact CG1-CB 4.13Å; I86-F161 HydrophobicContact CG1-CD2 3.63Å; I86-F161 HydrophobicContact CG1-CE2 4.28Å; I86-F161 HydrophobicContact CG1-CG 3.88Å; I86-F161 VanDerWaalsContact O-CD2 3.23Å; I86-F161 WeakPolarHBondContact O-CD2 3.29Å; I86-F161 WeakPolarHBondContact O-CE2 3.39Å |
| 87 | L | 98.8 | Very high | 98.7 | Very high | 73 Ų | 73 | 32.1 Ų | 32.1 | 38% | 0.382 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -9.6 | 169.2 | -60.8 | 176.5 | 0 | 0 | 0 | 112.9 | R84 Y85 F161 M164 | R84-L87 WeakPolarHBondContact O-CB 3.21Å; R84-L87 PolarHBondContact O-N 3.06Å; R84-L87 VanDerWaalsContact O-N 3.13Å; Y85-L87 PolarHBondContact O-N 3.39Å; Y85-L87 VanDerWaalsContact O-N 3.08Å; L87-F161 HydrophobicContact CD2-CB 4.21Å; L87-M164 HydrophobicContact CD2-CB 3.83Å; L87-M164 HydrophobicContact CD2-CG 4.19Å |
| 88 | T | 98.7 | Very high | 98.7 | Very high | 38 Ų | 38 | 33.9 Ų | 33.9 | 23% | 0.233 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -80.7 | 159.8 | 174.6 | 73.9 | 0 | 0 | 0 | 0 | 111.3 | Y29 Y85 R90 G91 I92 | Y29-T88 HydrophobicContact CD2-CG2 4.44Å; Y29-T88 HydrophobicContact CE2-CG2 3.65Å; Y85-T88 WeakPolarHBondContact O-CB 3.16Å; Y85-T88 WeakPolarHBondContact O-CG2 3.42Å; Y85-T88 PolarHBondContact O-N 3.49Å; Y85-T88 PolarHBondContact O-OG1 3.48Å; T88-R90 VanDerWaalsContact C-N 3.28Å; T88-R90 PolarHBondContact O-N 3.27Å; T88-G91 PolarHBondContact O-N 2.94Å; T88-G91 PolarHBondContact OG1-N 2.73Å; T88-I92 WeakPolarHBondContact O-CB 3.41Å; T88-I92 WeakPolarHBondContact O-CG1 3.24Å; T88-I92 PolarHBondContact O-N 3.22Å |
| 89 | N | 98.4 | Very high | 98.7 | Very high | 114 Ų | 114 | 34.9 Ų | 34.9 | 61% | 0.61 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -57.9 | -40 | 176.1 | -71.5 | -38.7 | 0 | 0 | 0 | 112.5 | C93 | N89-C93 PolarHBondContact O-N 3.29Å; N89-C93 VanDerWaalsContact O-N 3.15Å; N89-C93 PolarHBondContact O-SG 3.17Å |
| 90 | R | 98.4 | Very high | 98.6 | Very high | 133 Ų | 133 | 40.5 Ų | 40.5 | 50% | 0.502 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -68.6 | -49 | 178.8 | -68.7 | -165.9 | -176.7 | 165.9 | -0.8 | 111.6 | E26 D28 T88 I92 C93 F94 | E26-R90 WeakPolarHBondContact OE2-CD 3.31Å; E26-R90 IonicContact OE2-CZ 2.92Å; E26-R90 IonicContact OE2-NE 2.85Å; E26-R90 IonicContact OE2-NH1 3.91Å; E26-R90 PolarHBondContact OE2-NH1 2.86Å; D28-R90 IonicContact OD1-NH1 3.62Å; D28-R90 IonicContact OD2-CZ 3.24Å; D28-R90 IonicContact OD2-NH1 3.54Å; D28-R90 PolarHBondContact OD2-NH1 3.34Å; T88-R90 VanDerWaalsContact C-N 3.28Å; T88-R90 PolarHBondContact O-N 3.27Å; R90-I92 VanDerWaalsContact C-N 3.31Å; R90-I92 PolarHBondContact O-N 3.34Å; R90-C93 WeakPolarHBondContact O-CB 3.35Å; R90-C93 PolarHBondContact O-N 2.88Å; R90-F94 VanDerWaalsContact O-CD2 3.31Å; R90-F94 WeakPolarHBondContact O-CD2 3.41Å; R90-F94 PolarHBondContact O-N 3.17Å; R90-F94 VanDerWaalsContact O-N 3.16Å |
| 91 | G | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.7 | -40 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | T88 C93 F94 M95 | T88-G91 PolarHBondContact O-N 2.94Å; T88-G91 PolarHBondContact OG1-N 2.73Å; G91-C93 VanDerWaalsContact C-N 3.35Å; G91-C93 PolarHBondContact O-N 3.44Å; G91-F94 PolarHBondContact O-N 3.38Å; G91-M95 WeakPolarHBondContact O-CG 3.49Å; G91-M95 PolarHBondContact O-N 2.97Å |
| 92 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.8 | -45.1 | 172.9 | -70.8 | 170 | 0 | 0 | 0 | 111.1 | I86 T88 R90 F94 M95 V96 M164 L165 V168 | I86-I92 VanDerWaalsContact O-CG1 3.23Å; I86-I92 WeakPolarHBondContact O-CG1 2.94Å; T88-I92 WeakPolarHBondContact O-CB 3.41Å; T88-I92 WeakPolarHBondContact O-CG1 3.24Å; T88-I92 PolarHBondContact O-N 3.22Å; R90-I92 VanDerWaalsContact C-N 3.31Å; R90-I92 PolarHBondContact O-N 3.34Å; I92-F94 PolarHBondContact O-N 2.99Å; I92-M95 PolarHBondContact O-N 3.12Å; I92-V96 HydrophobicContact CG2-CG2 4.08Å; I92-V96 WeakPolarHBondContact O-CB 3.36Å; I92-V96 VanDerWaalsContact O-CG2 3.27Å; I92-V96 WeakPolarHBondContact O-CG2 3.33Å; I92-V96 PolarHBondContact O-N 2.86Å; I92-M164 HydrophobicContact CD1-CG 4.01Å; I92-L165 HydrophobicContact CG2-CD1 4.49Å; I92-L165 HydrophobicContact CG2-CG 4.16Å; I92-V168 HydrophobicContact CD1-CB 4.2Å; I92-V168 HydrophobicContact CD1-CG2 3.8Å |
| 93 | C | 98.4 | Very high | 98.5 | Very high | 75 Ų | 75 | 49.8 Ų | 49.8 | 51% | 0.507 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.1 | -45.7 | 178.1 | -72.9 | 0 | 0 | 0 | 0 | 112.4 | N89 R90 G91 V96 A97 | N89-C93 PolarHBondContact O-N 3.29Å; N89-C93 VanDerWaalsContact O-N 3.15Å; N89-C93 PolarHBondContact O-SG 3.17Å; R90-C93 WeakPolarHBondContact O-CB 3.35Å; R90-C93 PolarHBondContact O-N 2.88Å; G91-C93 VanDerWaalsContact C-N 3.35Å; G91-C93 PolarHBondContact O-N 3.44Å; C93-V96 PolarHBondContact O-N 2.81Å; C93-A97 PolarHBondContact O-N 3.46Å |
| 94 | F | 98.5 | Very high | 98.4 | Very high | 90 Ų | 90 | 49 Ų | 49 | 40% | 0.395 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62 | -45.1 | 176.6 | -76.6 | -68.9 | 0 | 0 | 0 | 112 | C23 E26 Y85 R90 G91 I92 V96 A97 K98 | C23-F94 HydrophobicContact CB-CB 3.95Å; E26-F94 HydrophobicContact CG-CE2 4.2Å; Y85-F94 HydrophobicContact CE1-CD2 4.28Å; Y85-F94 WeakPolarHBondContact OH-CD2 3.44Å; Y85-F94 WeakPolarHBondContact OH-CE2 3.38Å; R90-F94 VanDerWaalsContact O-CD2 3.31Å; R90-F94 WeakPolarHBondContact O-CD2 3.41Å; R90-F94 PolarHBondContact O-N 3.17Å; R90-F94 VanDerWaalsContact O-N 3.16Å; G91-F94 PolarHBondContact O-N 3.38Å; I92-F94 PolarHBondContact O-N 2.99Å; F94-V96 VanDerWaalsContact C-N 3.34Å; F94-V96 PolarHBondContact O-N 3.4Å; F94-A97 WeakPolarHBondContact O-CB 3.31Å; F94-A97 PolarHBondContact O-N 3.09Å; F94-K98 PolarHBondContact O-N 3.21Å |
| 95 | M | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.9 | -34 | 179 | -64.7 | -61.9 | -78.4 | 0 | 0 | 112.7 | C23 I86 G91 I92 A97 K98 W99 F104 P119 F157 F161 | C23-M95 HydrophobicContact CB-SD 3.72Å; I86-M95 HydrophobicContact CB-CG 4.02Å; I86-M95 HydrophobicContact CG2-CE 4.5Å; I86-M95 HydrophobicContact CG2-CG 3.61Å; I86-M95 HydrophobicContact CG2-SD 4.01Å; G91-M95 WeakPolarHBondContact O-CG 3.49Å; G91-M95 PolarHBondContact O-N 2.97Å; I92-M95 PolarHBondContact O-N 3.12Å; M95-A97 VanDerWaalsContact C-N 3.35Å; M95-K98 PolarHBondContact O-N 3.3Å; M95-K98 HydrophobicContact SD-CD 4.42Å; M95-W99 VanDerWaalsContact O-CB 3.32Å; M95-W99 WeakPolarHBondContact O-CB 3.45Å; M95-W99 PolarHBondContact O-N 2.92Å; M95-F104 HydrophobicContact CE-CE1 3.82Å; M95-F104 HydrophobicContact CE-CE2 4.29Å; M95-F104 HydrophobicContact CE-CZ 3.44Å; M95-F104 VanDerWaalsContact CE-CZ 3.44Å; M95-F104 WeakPolarHBondContact O-CE2 3.48Å; M95-F104 HydrophobicContact SD-CZ 3.95Å; M95-P119 HydrophobicContact CE-CG 3.56Å; M95-F157 HydrophobicContact CE-CD1 4.48Å; M95-F161 HydrophobicContact CB-CE1 4.47Å; M95-F161 HydrophobicContact CB-CE2 3.95Å; M95-F161 HydrophobicContact CB-CZ 3.48Å; M95-F161 VanDerWaalsContact CB-CZ 3.48Å; M95-F161 HydrophobicContact CE-CE1 3.92Å; M95-F161 HydrophobicContact CE-CZ 4.02Å; M95-F161 HydrophobicContact CG-CE2 4.06Å; M95-F161 HydrophobicContact CG-CZ 3.82Å |
| 96 | V | 98.6 | Very high | 98.4 | Very high | 9 Ų | 9 | 52.5 Ų | 52.5 | 6% | 0.055 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 172.4 | 165.6 | 0 | 0 | 0 | 0 | 110.9 | I92 C93 F94 K98 W99 Q100 L165 Y172 | I92-V96 HydrophobicContact CG2-CG2 4.08Å; I92-V96 WeakPolarHBondContact O-CB 3.36Å; I92-V96 VanDerWaalsContact O-CG2 3.27Å; I92-V96 WeakPolarHBondContact O-CG2 3.33Å; I92-V96 PolarHBondContact O-N 2.86Å; C93-V96 PolarHBondContact O-N 2.81Å; F94-V96 VanDerWaalsContact C-N 3.34Å; F94-V96 PolarHBondContact O-N 3.4Å; V96-K98 PolarHBondContact O-N 3.12Å; V96-W99 WeakPolarHBondContact O-CB 3.39Å; V96-W99 PolarHBondContact O-N 3Å; V96-Q100 HydrophobicContact CG1-CG 4.38Å; V96-Q100 WeakPolarHBondContact O-CG 3.43Å; V96-Q100 PolarHBondContact O-N 3.27Å; V96-L165 HydrophobicContact CG2-CD1 3.73Å; V96-L165 HydrophobicContact CG2-CD2 4.45Å; V96-L165 HydrophobicContact CG2-CG 4.08Å; V96-Y172 HydrophobicContact CG1-CD2 4.32Å; V96-Y172 HydrophobicContact CG1-CE2 3.64Å; V96-Y172 HydrophobicContact CG2-CD2 4.31Å; V96-Y172 HydrophobicContact CG2-CE2 4.12Å |
| 97 | A | 98.5 | Very high | 98.4 | Very high | 40 Ų | 40 | 52.9 Ų | 52.9 | 33% | 0.331 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.1 | -46.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | C93 F94 M95 W99 Q100 Q101 | C93-A97 PolarHBondContact O-N 3.46Å; F94-A97 WeakPolarHBondContact O-CB 3.31Å; F94-A97 PolarHBondContact O-N 3.09Å; M95-A97 VanDerWaalsContact C-N 3.35Å; A97-W99 PolarHBondContact O-N 3.14Å; A97-Q100 PolarHBondContact O-N 3.39Å; A97-Q101 WeakPolarHBondContact O-CG 3.32Å; A97-Q101 PolarHBondContact O-N 3.06Å |
| 98 | K | 98.7 | Very high | 98.3 | Very high | 38 Ų | 38 | 53.4 Ų | 53.4 | 17% | 0.165 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.4 | -40.3 | 174.2 | -67.4 | -178.8 | 64.3 | 65.7 | 0 | 112.4 | E20 F22 C23 F94 M95 V96 Q100 Q101 G102 D103 F104 | E20-K98 WeakPolarHBondContact O-CE 3.46Å; E20-K98 PolarHBondContact O-NZ 2.92Å; F22-K98 WeakPolarHBondContact O-CE 3.39Å; F22-K98 PolarHBondContact O-NZ 3.42Å; C23-K98 HydrophobicContact CB-CD 4.19Å; F94-K98 PolarHBondContact O-N 3.21Å; M95-K98 PolarHBondContact O-N 3.3Å; M95-K98 HydrophobicContact SD-CD 4.42Å; V96-K98 PolarHBondContact O-N 3.12Å; K98-Q100 PolarHBondContact O-N 2.94Å; K98-Q101 PolarHBondContact O-N 3.27Å; K98-G102 PolarHBondContact O-N 2.8Å; K98-G102 VanDerWaalsContact O-N 3.09Å; K98-D103 HydrophobicContact CB-CB 4.11Å; K98-D103 WeakPolarHBondContact CG-OD2 3.31Å; K98-D103 IonicContact NZ-OD2 2.73Å; K98-D103 PolarHBondContact NZ-OD2 3.48Å; K98-D103 PolarHBondContact O-N 3.35Å; K98-F104 HydrophobicContact CB-CE1 4.1Å; K98-F104 HydrophobicContact CB-CE2 3.85Å; K98-F104 HydrophobicContact CB-CZ 3.44Å; K98-F104 VanDerWaalsContact CB-CZ 3.44Å; K98-F104 HydrophobicContact CD-CE1 4.35Å; K98-F104 HydrophobicContact CD-CZ 4.15Å; K98-F104 HydrophobicContact CG-CZ 4.41Å |
| 99 | W | 98.5 | Very high | 98.3 | Very high | 20 Ų | 20 | 56.6 Ų | 56.6 | 8% | 0.076 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 178 | 179.1 | 49.6 | 0 | 0 | 0 | 112.5 | M95 V96 A97 Q101 G102 F104 P116 L118 P136 F166 Y172 | M95-W99 VanDerWaalsContact O-CB 3.32Å; M95-W99 WeakPolarHBondContact O-CB 3.45Å; M95-W99 PolarHBondContact O-N 2.92Å; V96-W99 WeakPolarHBondContact O-CB 3.39Å; V96-W99 PolarHBondContact O-N 3Å; A97-W99 PolarHBondContact O-N 3.14Å; W99-Q101 PolarHBondContact O-N 3.04Å; W99-G102 PolarHBondContact O-N 3.17Å; W99-G102 VanDerWaalsContact O-N 3.08Å; W99-F104 HydrophobicContact CB-CD2 4Å; W99-F104 HydrophobicContact CB-CE2 3.8Å; W99-P116 VanDerWaalsContact NE1-C 3.28Å; W99-P116 PolarHBondContact NE1-O 3.37Å; W99-L118 HydrophobicContact CB-CD2 3.77Å; W99-L118 HydrophobicContact CD2-CD2 4.27Å; W99-L118 HydrophobicContact CG-CD2 3.64Å; W99-L118 HydrophobicContact CG-CG 4.19Å; W99-P136 HydrophobicContact CZ2-CG 4.03Å; W99-F166 HydrophobicContact CH2-CE1 4.24Å; W99-F166 HydrophobicContact CH2-CZ 4.42Å; W99-F166 HydrophobicContact CZ2-CZ 4.39Å; W99-Y172 HydrophobicContact CZ3-CD1 4.45Å; W99-Y172 HydrophobicContact CZ3-CD2 4.41Å; W99-Y172 AromaticContact CZ3-CG 3.98Å; W99-Y172 HydrophobicContact CZ3-CG 3.98Å |
| 100 | Q | 97.2 | Very high | 98.2 | Very high | 118 Ų | 118 | 57 Ų | 57 | 55% | 0.551 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -65.2 | -29.5 | 177.6 | -72 | 174.9 | -2.2 | 0 | 0 | 112.5 | V96 A97 K98 G102 | V96-Q100 HydrophobicContact CG1-CG 4.38Å; V96-Q100 WeakPolarHBondContact O-CG 3.43Å; V96-Q100 PolarHBondContact O-N 3.27Å; A97-Q100 PolarHBondContact O-N 3.39Å; K98-Q100 PolarHBondContact O-N 2.94Å; Q100-G102 VanDerWaalsContact C-N 3.32Å |
| 101 | Q | 97.7 | Very high | 98.2 | Very high | 137 Ų | 137 | 54.4 Ų | 54.4 | 64% | 0.64 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -80.3 | -14.6 | 174.6 | -65.7 | 174.3 | 35.7 | 0 | 0 | 112.9 | A97 K98 W99 D103 | A97-Q101 WeakPolarHBondContact O-CG 3.32Å; A97-Q101 PolarHBondContact O-N 3.06Å; K98-Q101 PolarHBondContact O-N 3.27Å; W99-Q101 PolarHBondContact O-N 3.04Å; Q101-D103 WeakPolarHBondContact CB-OD1 3.48Å |
| 102 | G | 97.5 | Very high | 98.1 | Very high | 11 Ų | 11 | 54.5 Ų | 54.5 | 11% | 0.113 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | 19.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | K98 W99 Q100 F104 G105 | K98-G102 PolarHBondContact O-N 2.8Å; K98-G102 VanDerWaalsContact O-N 3.09Å; W99-G102 PolarHBondContact O-N 3.17Å; W99-G102 VanDerWaalsContact O-N 3.08Å; Q100-G102 VanDerWaalsContact C-N 3.32Å; G102-F104 PolarHBondContact O-N 3.03Å; G102-G105 PolarHBondContact O-N 3.13Å |
| 103 | D | 98.2 | Very high | 98 | Very high | 56 Ų | 56 | 60 Ų | 60 | 30% | 0.299 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -34.4 | -177.9 | -70.7 | 9.5 | 0 | 0 | 0 | 112.8 | K98 Q101 G105 | K98-D103 HydrophobicContact CB-CB 4.11Å; K98-D103 WeakPolarHBondContact CG-OD2 3.31Å; K98-D103 IonicContact NZ-OD2 2.73Å; K98-D103 PolarHBondContact NZ-OD2 3.48Å; K98-D103 PolarHBondContact O-N 3.35Å; Q101-D103 WeakPolarHBondContact CB-OD1 3.48Å; D103-G105 PolarHBondContact O-N 3.05Å |
| 104 | F | 98.5 | Very high | 98 | Very high | 4 Ų | 4 | 60.4 Ų | 60.4 | 2% | 0.018 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -3.5 | -178.5 | -48.9 | -49.4 | 0 | 0 | 0 | 113.4 | F21 M95 K98 W99 G102 C117 L118 P119 | F21-F104 HydrophobicContact CB-CD1 4.21Å; F21-F104 HydrophobicContact CB-CE1 4.36Å; F21-F104 AromaticContact CD1-CD1 3.78Å; F21-F104 HydrophobicContact CD1-CD1 3.78Å; F21-F104 VanDerWaalsContact CE1-CA 3.5Å; F21-F104 HydrophobicContact CE1-CB 4.37Å; F21-F104 HydrophobicContact CE1-CD1 4.38Å; F21-F104 HydrophobicContact CG-CD1 4.04Å; F21-F104 WeakPolarHBondContact O-CE1 3.46Å; M95-F104 HydrophobicContact CE-CE1 3.82Å; M95-F104 HydrophobicContact CE-CE2 4.29Å; M95-F104 HydrophobicContact CE-CZ 3.44Å; M95-F104 VanDerWaalsContact CE-CZ 3.44Å; M95-F104 WeakPolarHBondContact O-CE2 3.48Å; M95-F104 HydrophobicContact SD-CZ 3.95Å; K98-F104 HydrophobicContact CB-CE1 4.1Å; K98-F104 HydrophobicContact CB-CE2 3.85Å; K98-F104 HydrophobicContact CB-CZ 3.44Å; K98-F104 VanDerWaalsContact CB-CZ 3.44Å; K98-F104 HydrophobicContact CD-CE1 4.35Å; K98-F104 HydrophobicContact CD-CZ 4.15Å; K98-F104 HydrophobicContact CG-CZ 4.41Å; W99-F104 HydrophobicContact CB-CD2 4Å; W99-F104 HydrophobicContact CB-CE2 3.8Å; G102-F104 PolarHBondContact O-N 3.03Å; F104-C117 WeakPolarHBondContact CB-O 3.15Å; F104-C117 WeakPolarHBondContact CD2-O 3.49Å; F104-L118 HydrophobicContact CD2-CD2 4.06Å; F104-L118 HydrophobicContact CE2-CD2 3.96Å; F104-P119 HydrophobicContact CD1-CG 4.09Å; F104-P119 HydrophobicContact CE1-CG 4.08Å; F104-P119 HydrophobicContact CG-CG 4.44Å; F104-P119 HydrophobicContact CZ-CG 4.41Å |
| 105 | G | 98 | Very high | 98 | Very high | 24 Ų | 24 | 56.7 Ų | 56.7 | 25% | 0.247 | 30% | 0.296 | C | S | . | . | trans | 81.3 | -168.9 | -175 | 0 | 0 | 0 | 0 | 0 | 113.9 | G102 D103 C117 | G102-G105 PolarHBondContact O-N 3.13Å; D103-G105 PolarHBondContact O-N 3.05Å; G105-C117 PolarHBondContact O-N 3.34Å | ||
| 106 | Y | 98.6 | Very high | 98 | Very high | 122 Ų | 122 | 58.4 Ų | 58.4 | 48% | 0.478 | 31% | 0.307 | S | S | . | . | B | Isolated β-bridge | trans | -129.5 | 151.3 | -165.2 | -55.2 | -86.7 | 0 | 0 | 0 | 111.3 | S114 Q115 P116 | Y106-S114 WeakPolarHBondContact CD1-O 3.45Å; Y106-Q115 CarbonylContact C-O 3.6Å; Y106-Q115 WeakPolarHBondContact CA-O 3.39Å; Y106-P116 HydrophobicContact CD1-CB 4.43Å; Y106-P116 HydrophobicContact CD1-CG 4.12Å; Y106-P116 HydrophobicContact CE1-CB 4.49Å; Y106-P116 HydrophobicContact CE1-CG 3.98Å |
| 107 | C | 98.4 | Very high | 98 | Very high | 8 Ų | 8 | 58 Ų | 58 | 5% | 0.054 | 31% | 0.305 | C | S | . | . | trans | -60.3 | 130.6 | -179.9 | -175.8 | 0 | 0 | 0 | 0 | 111.3 | R109 C112 Q115 C117 C135 | C107-R109 VanDerWaalsContact C-N 3.26Å; C107-R109 PolarHBondContact O-N 2.73Å; C107-C112 HydrophobicContact CB-CB 3.73Å; C107-C112 VanDerWaalsContact SG-CB 3.54Å; C107-Q115 HydrophobicContact CB-CB 4.18Å; C107-Q115 PolarHBondContact N-O 3.33Å; C107-C117 PolarHBondContact N-SG 3.11Å; C107-C117 VanDerWaalsContact N-SG 3.37Å; C107-C135 HydrophobicContact CB-CB 3.93Å; C107-C135 WeakPolarHBondContact CB-SG 3.1Å; C107-C135 PolarHBondContact SG-SG 3.49Å | ||
| 108 | P | 98.1 | Very high | 98 | Very high | 85 Ų | 85 | 56.1 Ų | 56.1 | 55% | 0.552 | 29% | 0.289 | S | S | * | . | trans | -75.7 | -12.7 | -179.7 | 30.8 | -36.4 | 0 | 0 | 0 | 113.4 | V110 Y142 | P108-V110 PolarHBondContact O-N 3.15Å; P108-Y142 HydrophobicContact CG-CD1 3.34Å; P108-Y142 HydrophobicContact CG-CD2 4.1Å; P108-Y142 HydrophobicContact CG-CE1 3.9Å; P108-Y142 HydrophobicContact CG-CG 3.48Å; P108-Y142 VanDerWaalsContact CG-CG 3.48Å | ||
| 109 | R | 97.8 | Very high | 98 | Very high | 104 Ų | 104 | 54.3 Ų | 54.3 | 39% | 0.392 | 28% | 0.281 | S | S | . | . | trans | -71.6 | 121.7 | 177.3 | -72.7 | 179.1 | 62.7 | 169.7 | -0.2 | 109.9 | C107 Y111 C112 Y142 | C107-R109 VanDerWaalsContact C-N 3.26Å; C107-R109 PolarHBondContact O-N 2.73Å; R109-Y111 VanDerWaalsContact C-N 3.28Å; R109-Y111 PolarHBondContact O-N 3.33Å; R109-C112 HydrophobicContact CB-CB 4.2Å; R109-C112 WeakPolarHBondContact O-CA 3.45Å; R109-C112 VanDerWaalsContact O-CB 3.3Å; R109-C112 WeakPolarHBondContact O-CB 3.39Å; R109-C112 PolarHBondContact O-N 3.17Å; R109-Y142 WeakPolarHBondContact CD-OH 3.5Å; R109-Y142 HydrophobicContact CG-CE1 4.23Å | ||
| 110 | V | 97.3 | Very high | 98 | Very high | 123 Ų | 123 | 53.7 Ų | 53.7 | 75% | 0.745 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -49.9 | -46.3 | 179.4 | 177.8 | 0 | 0 | 0 | 0 | 112.5 | P108 C112 E113 | P108-V110 PolarHBondContact O-N 3.15Å; V110-C112 PolarHBondContact O-N 3.46Å; V110-E113 PolarHBondContact O-N 3.4Å; V110-E113 VanDerWaalsContact O-N 3.1Å |
| 111 | Y | 97.4 | Very high | 98.1 | Very high | 79 Ų | 79 | 48.2 Ų | 48.2 | 31% | 0.31 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -78.5 | 2 | -179.2 | -65.8 | -73.8 | 0 | 0 | 0 | 114.8 | R109 E113 A177 K179 F181 | R109-Y111 VanDerWaalsContact C-N 3.28Å; R109-Y111 PolarHBondContact O-N 3.33Å; Y111-E113 VanDerWaalsContact C-N 3.28Å; Y111-A177 VanDerWaalsContact O-CB 3.28Å; Y111-A177 WeakPolarHBondContact O-CB 3.35Å; Y111-K179 WeakPolarHBondContact CB-O 3.48Å; Y111-K179 HydrophobicContact CD1-CB 3.54Å; Y111-K179 HydrophobicContact CE1-CB 3.73Å; Y111-F181 HydrophobicContact CD2-CB 4.12Å; Y111-F181 HydrophobicContact CE2-CB 3.54Å; Y111-F181 HydrophobicContact CE2-CD2 4.18Å; Y111-F181 HydrophobicContact CE2-CG 4.37Å |
| 112 | C | 97.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.007 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -84.8 | -4.5 | 165.3 | -72.9 | 0 | 0 | 0 | 0 | 112.7 | C107 R109 V110 S114 Q115 R137 C138 | C107-C112 HydrophobicContact CB-CB 3.73Å; C107-C112 VanDerWaalsContact SG-CB 3.54Å; R109-C112 HydrophobicContact CB-CB 4.2Å; R109-C112 WeakPolarHBondContact O-CA 3.45Å; R109-C112 VanDerWaalsContact O-CB 3.3Å; R109-C112 WeakPolarHBondContact O-CB 3.39Å; R109-C112 PolarHBondContact O-N 3.17Å; V110-C112 PolarHBondContact O-N 3.46Å; C112-S114 VanDerWaalsContact C-N 3.34Å; C112-S114 PolarHBondContact O-N 2.85Å; C112-Q115 HydrophobicContact CB-CB 4.16Å; C112-Q115 WeakPolarHBondContact O-CB 3.46Å; C112-Q115 PolarHBondContact O-N 2.75Å; C112-R137 WeakPolarHBondContact O-CD 3.13Å; C112-C138 VanDerWaalsContact SG-CB 3.54Å |
| 113 | E | 96.9 | Very high | 98.2 | Very high | 117 Ų | 117 | 46.7 Ų | 46.7 | 55% | 0.547 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 47.8 | 172 | -60.7 | 173.2 | 168 | 0 | 0 | 112.2 | V110 Y111 Q115 R137 | V110-E113 PolarHBondContact O-N 3.4Å; V110-E113 VanDerWaalsContact O-N 3.1Å; Y111-E113 VanDerWaalsContact C-N 3.28Å; E113-Q115 VanDerWaalsContact C-N 3.27Å; E113-Q115 PolarHBondContact O-N 3.02Å; E113-R137 IonicContact OE2-NH1 3.69Å |
| 114 | S | 97.2 | Very high | 98.2 | Very high | 82 Ų | 82 | 48.2 Ų | 48.2 | 57% | 0.573 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 43.1 | -176.6 | -58.2 | 0 | 0 | 0 | 0 | 113 | Y106 C112 P116 | Y106-S114 WeakPolarHBondContact CD1-O 3.45Å; C112-S114 VanDerWaalsContact C-N 3.34Å; C112-S114 PolarHBondContact O-N 2.85Å; S114-P116 VanDerWaalsContact O-CD 3.32Å; S114-P116 WeakPolarHBondContact O-CD 3.49Å |
| 115 | Q | 98.1 | Very high | 98.2 | Very high | 13 Ų | 13 | 51.5 Ų | 51.5 | 6% | 0.061 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 124.2 | 173 | 175.6 | 63.3 | 54.3 | 0 | 0 | 110.8 | Y106 C107 C112 E113 C117 P136 R137 | Y106-Q115 CarbonylContact C-O 3.6Å; Y106-Q115 WeakPolarHBondContact CA-O 3.39Å; C107-Q115 HydrophobicContact CB-CB 4.18Å; C107-Q115 PolarHBondContact N-O 3.33Å; C112-Q115 HydrophobicContact CB-CB 4.16Å; C112-Q115 WeakPolarHBondContact O-CB 3.46Å; C112-Q115 PolarHBondContact O-N 2.75Å; E113-Q115 VanDerWaalsContact C-N 3.27Å; E113-Q115 PolarHBondContact O-N 3.02Å; Q115-C117 PolarHBondContact O-N 3.33Å; Q115-P136 HydrophobicContact CG-CG 4.07Å; Q115-R137 HydrophobicContact CB-CB 4.13Å; Q115-R137 HydrophobicContact CG-CB 3.72Å |
| 116 | P | 98.5 | Very high | 98.2 | Very high | 36 Ų | 36 | 52.1 Ų | 52.1 | 23% | 0.234 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -56.9 | 134.1 | 170.1 | -26.1 | 34.1 | 0 | 0 | 0 | 111.7 | W99 Y106 S114 P136 | W99-P116 VanDerWaalsContact NE1-C 3.28Å; W99-P116 PolarHBondContact NE1-O 3.37Å; Y106-P116 HydrophobicContact CD1-CB 4.43Å; Y106-P116 HydrophobicContact CD1-CG 4.12Å; Y106-P116 HydrophobicContact CE1-CB 4.49Å; Y106-P116 HydrophobicContact CE1-CG 3.98Å; S114-P116 VanDerWaalsContact O-CD 3.32Å; S114-P116 WeakPolarHBondContact O-CD 3.49Å; P116-P136 WeakPolarHBondContact O-CD 3.29Å |
| 117 | C | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -102.5 | 167.7 | -178.4 | -75.3 | 0 | 0 | 0 | 0 | 112.2 | F104 G105 C107 Q115 I133 Y134 | F104-C117 WeakPolarHBondContact CB-O 3.15Å; F104-C117 WeakPolarHBondContact CD2-O 3.49Å; G105-C117 PolarHBondContact O-N 3.34Å; C107-C117 PolarHBondContact N-SG 3.11Å; C107-C117 VanDerWaalsContact N-SG 3.37Å; Q115-C117 PolarHBondContact O-N 3.33Å; C117-I133 HydrophobicContact CB-CB 3.89Å; C117-I133 HydrophobicContact CB-CD1 4.17Å; C117-I133 HydrophobicContact CB-CG1 4.35Å; C117-Y134 CarbonylContact C-O 3.59Å; C117-Y134 VanDerWaalsContact CA-O 3.29Å; C117-Y134 WeakPolarHBondContact CA-O 3.38Å; C117-Y134 VanDerWaalsContact CB-O 3.31Å; C117-Y134 WeakPolarHBondContact CB-O 3.33Å |
| 118 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 149.2 | 173.7 | -71.3 | 162.6 | 0 | 0 | 0 | 109.7 | W99 F104 I133 Y134 F161 P162 L165 F166 | W99-L118 HydrophobicContact CB-CD2 3.77Å; W99-L118 HydrophobicContact CD2-CD2 4.27Å; W99-L118 HydrophobicContact CG-CD2 3.64Å; W99-L118 HydrophobicContact CG-CG 4.19Å; F104-L118 HydrophobicContact CD2-CD2 4.06Å; F104-L118 HydrophobicContact CE2-CD2 3.96Å; L118-I133 CarbonylContact O-C 3.53Å; L118-I133 VanDerWaalsContact O-CA 3.27Å; L118-I133 WeakPolarHBondContact O-CA 3.43Å; L118-Y134 PolarHBondContact N-O 3.44Å; L118-Y134 PolarHBondContact O-N 3.26Å; L118-F161 HydrophobicContact CB-CE1 4.26Å; L118-F161 HydrophobicContact CD2-CE1 4.05Å; L118-F161 HydrophobicContact CD2-CZ 4.19Å; L118-P162 HydrophobicContact CB-CB 4.3Å; L118-P162 HydrophobicContact CB-CG 4.2Å; L118-P162 HydrophobicContact CD1-CB 4.06Å; L118-L165 HydrophobicContact CD1-CD1 3.91Å; L118-L165 HydrophobicContact CD1-CD2 4.21Å; L118-L165 HydrophobicContact CD2-CD1 3.89Å; L118-F166 HydrophobicContact CD1-CE2 3.73Å; L118-F166 HydrophobicContact CD1-CZ 3.82Å |
| 119 | P | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 150.8 | 172.3 | 30.9 | -36 | 0 | 0 | 0 | 110.6 | F21 M95 F104 V131 K132 F157 F161 P162 | F21-P119 HydrophobicContact CD2-CB 3.95Å; F21-P119 HydrophobicContact CG-CB 4.47Å; M95-P119 HydrophobicContact CE-CG 3.56Å; F104-P119 HydrophobicContact CD1-CG 4.09Å; F104-P119 HydrophobicContact CE1-CG 4.08Å; F104-P119 HydrophobicContact CG-CG 4.44Å; F104-P119 HydrophobicContact CZ-CG 4.41Å; P119-V131 HydrophobicContact CB-CG2 3.97Å; P119-K132 CarbonylContact C-O 3.44Å; P119-K132 WeakPolarHBondContact CA-O 3.48Å; P119-F157 HydrophobicContact CB-CB 4.42Å; P119-F157 HydrophobicContact CB-CD1 3.47Å; P119-F157 VanDerWaalsContact CB-CD1 3.47Å; P119-F157 HydrophobicContact CB-CD2 4.5Å; P119-F157 HydrophobicContact CB-CE1 3.8Å; P119-F157 HydrophobicContact CB-CG 3.86Å; P119-F157 HydrophobicContact CB-CZ 4.45Å; P119-F157 HydrophobicContact CG-CD1 3.5Å; P119-F157 VanDerWaalsContact CG-CD1 3.5Å; P119-F157 HydrophobicContact CG-CE1 3.84Å; P119-F157 HydrophobicContact CG-CG 4.3Å; P119-F161 HydrophobicContact CG-CD1 4.42Å; P119-F161 HydrophobicContact CG-CE1 4.11Å; P119-F161 WeakPolarHBondContact O-CD1 3.45Å; P119-P162 WeakPolarHBondContact O-CG 3.5Å |
| 120 | V | 98.9 | Very high | 98.2 | Very high | 7 Ų | 7 | 50.1 Ų | 50.1 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 142.7 | 177.9 | 70.6 | 0 | 0 | 0 | 0 | 111.2 | K132 T141 P162 | V120-K132 HydrophobicContact CG1-CB 3.86Å; V120-K132 PolarHBondContact N-O 2.92Å; V120-K132 PolarHBondContact O-N 3.39Å; V120-T141 HydrophobicContact CG1-CG2 3.98Å; V120-P162 HydrophobicContact CB-CG 3.81Å; V120-P162 HydrophobicContact CG2-CG 3.81Å |
| 121 | G | 98.8 | Very high | 98.2 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | trans | -85 | 143.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G154 G158 T159 | G121-G154 WeakPolarHBondContact CA-O 3.45Å; G121-G158 PolarHBondContact N-O 3.23Å; G121-T159 WeakPolarHBondContact O-CA 3.38Å | ||
| 122 | L | 98.6 | Very high | 98.3 | Very high | 97 Ų | 97 | 42.6 Ų | 42.6 | 51% | 0.508 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -86.3 | -15.3 | 167.5 | -61.8 | -176.5 | 0 | 0 | 0 | 112.4 | A129 K132 | L122-A129 HydrophobicContact CB-CB 4Å; L122-K132 HydrophobicContact CD1-CD 4.41Å; L122-K132 HydrophobicContact CD1-CG 3.81Å; L122-K132 HydrophobicContact CD2-CG 4.01Å; L122-K132 HydrophobicContact CG-CG 3.67Å |
| 123 | S | 98.6 | Very high | 98.4 | Very high | 19 Ų | 19 | 42.9 Ų | 42.9 | 13% | 0.133 | 25% | 0.249 | C | C | . | . | trans | -143 | 154.2 | 172.7 | -175.6 | 0 | 0 | 0 | 0 | 108.5 | V125 E128 | S123-V125 VanDerWaalsContact C-N 3.34Å; S123-V125 PolarHBondContact OG-N 2.99Å; S123-V125 VanDerWaalsContact OG-N 3.11Å; S123-E128 WeakPolarHBondContact CB-OE2 3.36Å; S123-E128 PolarHBondContact OG-OE2 3.48Å | ||
| 124 | D | 98.5 | Very high | 98.5 | Very high | 88 Ų | 88 | 38 Ų | 38 | 47% | 0.471 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -91.9 | -0.6 | 170.9 | -62.4 | -53.5 | 0 | 0 | 0 | 111.6 | G158 T159 | D124-G158 WeakPolarHBondContact OD1-CA 3.4Å; D124-T159 PolarHBondContact OD1-N 2.96Å; D124-T159 PolarHBondContact OD1-OG1 3.45Å; D124-T159 WeakPolarHBondContact OD2-CG2 3.49Å; D124-T159 PolarHBondContact OD2-OG1 3.43Å |
| 125 | V | 98.2 | Very high | 98.5 | Very high | 73 Ų | 73 | 34.1 Ų | 34.1 | 44% | 0.442 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -94.7 | 120.3 | 178.7 | -176.7 | 0 | 0 | 0 | 0 | 109.6 | S123 E128 | S123-V125 VanDerWaalsContact C-N 3.34Å; S123-V125 PolarHBondContact OG-N 2.99Å; S123-V125 VanDerWaalsContact OG-N 3.11Å; V125-E128 HydrophobicContact CB-CG 3.85Å; V125-E128 HydrophobicContact CG1-CG 3.93Å; V125-E128 PolarHBondContact O-N 3.31Å |
| 126 | P | 98.1 | Very high | 98.6 | Very high | 38 Ų | 38 | 33.7 Ų | 33.7 | 25% | 0.247 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 141.5 | 175.7 | -27.2 | 36 | 0 | 0 | 0 | 112.7 | M76 L80 E128 A155 | M76-P126 HydrophobicContact CE-CB 4.24Å; M76-P126 HydrophobicContact CE-CG 4.12Å; L80-P126 HydrophobicContact CD2-CG 3.88Å; P126-E128 VanDerWaalsContact C-N 3.3Å; P126-E128 PolarHBondContact O-N 3.08Å; P126-A155 HydrophobicContact CG-CB 4.08Å |
| 127 | G | 97.3 | Very high | 98.5 | Very high | 59 Ų | 59 | 34.5 Ų | 34.5 | 61% | 0.608 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.5 | -12.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | D153 | G127-D153 PolarHBondContact N-OD2 2.73Š|
| 128 | E | 98.3 | Very high | 98.5 | Very high | 130 Ų | 130 | 35.7 Ų | 35.7 | 61% | 0.607 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -78.6 | -38.2 | -178.2 | -71.1 | -165.6 | 168.5 | 0 | 0 | 113.3 | S123 V125 P126 | S123-E128 WeakPolarHBondContact CB-OE2 3.36Å; S123-E128 PolarHBondContact OG-OE2 3.48Å; V125-E128 HydrophobicContact CB-CG 3.85Å; V125-E128 HydrophobicContact CG1-CG 3.93Å; V125-E128 PolarHBondContact O-N 3.31Å; P126-E128 VanDerWaalsContact C-N 3.3Å; P126-E128 PolarHBondContact O-N 3.08Å |
| 129 | A | 98.3 | Very high | 98.4 | Very high | 21 Ų | 21 | 40 Ų | 40 | 17% | 0.174 | 22% | 0.224 | C | C | . | . | trans | -157.1 | 138.5 | -179 | 0 | 0 | 0 | 0 | 0 | 112.8 | L122 G154 | L122-A129 HydrophobicContact CB-CB 4Å; A129-G154 WeakPolarHBondContact O-CA 3.12Å; A129-G154 PolarHBondContact O-N 3.41Å | ||
| 130 | M | 98.7 | Very high | 98.4 | Very high | 67 Ų | 67 | 43.4 Ų | 43.4 | 33% | 0.33 | 24% | 0.242 | S | C | . | . | B | Isolated β-bridge | trans | -73.8 | 157.3 | 172.9 | -54.7 | -64.1 | 119.3 | 0 | 0 | 111.7 | H150 T152 | M130-H150 VanDerWaalsContact CG-O 3.24Å; M130-H150 WeakPolarHBondContact CG-O 3.11Å; M130-T152 WeakPolarHBondContact CA-O 3.27Å |
| 131 | V | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | trans | -53.5 | 138.1 | -178 | 70 | 0 | 0 | 0 | 0 | 112.4 | F21 P119 P144 T152 F157 | F21-V131 HydrophobicContact CD2-CG1 4.18Å; F21-V131 HydrophobicContact CD2-CG2 4.1Å; F21-V131 HydrophobicContact CE2-CG1 4.24Å; F21-V131 HydrophobicContact CE2-CG2 4.41Å; P119-V131 HydrophobicContact CB-CG2 3.97Å; V131-P144 HydrophobicContact CG1-CG 4.29Å; V131-P144 VanDerWaalsContact O-CD 3.31Å; V131-P144 WeakPolarHBondContact O-CD 3.24Å; V131-P144 WeakPolarHBondContact O-CG 3.49Å; V131-T152 HydrophobicContact CG1-CG2 4.48Å; V131-T152 PolarHBondContact N-O 3.4Å; V131-F157 HydrophobicContact CB-CD2 4Å; V131-F157 HydrophobicContact CB-CE2 4Å; V131-F157 HydrophobicContact CG2-CD2 3.43Å; V131-F157 VanDerWaalsContact CG2-CD2 3.43Å; V131-F157 HydrophobicContact CG2-CE2 3.63Å; V131-F157 HydrophobicContact CG2-CG 4.07Å; V131-F157 HydrophobicContact CG2-CZ 4.41Å | ||
| 132 | K | 98.8 | Very high | 98.4 | Very high | 42 Ų | 42 | 47.5 Ų | 47.5 | 18% | 0.183 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 171.4 | 171.1 | -57.6 | -56.6 | 172.1 | -165.1 | 0 | 110 | P119 V120 L122 Y142 T143 | P119-K132 CarbonylContact C-O 3.44Å; P119-K132 WeakPolarHBondContact CA-O 3.48Å; V120-K132 HydrophobicContact CG1-CB 3.86Å; V120-K132 PolarHBondContact N-O 2.92Å; V120-K132 PolarHBondContact O-N 3.39Å; L122-K132 HydrophobicContact CD1-CD 4.41Å; L122-K132 HydrophobicContact CD1-CG 3.81Å; L122-K132 HydrophobicContact CD2-CG 4.01Å; L122-K132 HydrophobicContact CG-CG 3.67Å; K132-Y142 WeakPolarHBondContact CA-O 3.23Å; K132-Y142 WeakPolarHBondContact CB-O 3.36Å; K132-T143 PolarHBondContact NZ-OG1 2.81Å |
| 133 | I | 98.8 | Very high | 98.4 | Very high | 8 Ų | 8 | 46.7 Ų | 46.7 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 126.2 | 170.4 | 62.3 | 172.6 | 0 | 0 | 0 | 109.8 | F21 C117 L118 T141 Y142 P144 | F21-I133 HydrophobicContact CE2-CG2 3.94Å; F21-I133 HydrophobicContact CZ-CG2 3.98Å; C117-I133 HydrophobicContact CB-CB 3.89Å; C117-I133 HydrophobicContact CB-CD1 4.17Å; C117-I133 HydrophobicContact CB-CG1 4.35Å; L118-I133 CarbonylContact O-C 3.53Å; L118-I133 VanDerWaalsContact O-CA 3.27Å; L118-I133 WeakPolarHBondContact O-CA 3.43Å; I133-T141 CarbonylContact O-C 3.53Å; I133-T141 WeakPolarHBondContact O-CA 3.28Å; I133-Y142 WeakPolarHBondContact CG1-O 3.34Å; I133-Y142 PolarHBondContact N-O 2.86Å; I133-Y142 PolarHBondContact O-N 3.27Å; I133-P144 HydrophobicContact CG2-CG 4.3Å |
| 134 | Y | 98.9 | Very high | 98.4 | Very high | 14 Ų | 14 | 46.1 Ų | 46.1 | 6% | 0.055 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 127.2 | 173 | 174.2 | -103.3 | 0 | 0 | 0 | 110.1 | C117 L118 P136 T141 P162 F166 | C117-Y134 CarbonylContact C-O 3.59Å; C117-Y134 VanDerWaalsContact CA-O 3.29Å; C117-Y134 WeakPolarHBondContact CA-O 3.38Å; C117-Y134 VanDerWaalsContact CB-O 3.31Å; C117-Y134 WeakPolarHBondContact CB-O 3.33Å; L118-Y134 PolarHBondContact N-O 3.44Å; L118-Y134 PolarHBondContact O-N 3.26Å; Y134-P136 HydrophobicContact CE1-CB 3.98Å; Y134-T141 HydrophobicContact CD2-CG2 4.33Å; Y134-P162 HydrophobicContact CD1-CB 3.5Å; Y134-P162 HydrophobicContact CD1-CG 4.21Å; Y134-P162 HydrophobicContact CE1-CB 4.08Å; Y134-P162 HydrophobicContact CG-CB 3.97Å; Y134-P162 HydrophobicContact CG-CG 4.23Å; Y134-F166 HydrophobicContact CD1-CE2 4.49Å; Y134-F166 HydrophobicContact CE1-CD2 4.43Å; Y134-F166 AromaticContact CE1-CE2 3.97Å; Y134-F166 HydrophobicContact CE1-CE2 3.97Å |
| 135 | C | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 118.3 | 170.5 | 176.4 | 0 | 0 | 0 | 0 | 110.7 | C107 R137 C138 Q139 D140 Y142 | C107-C135 HydrophobicContact CB-CB 3.93Å; C107-C135 WeakPolarHBondContact CB-SG 3.1Å; C107-C135 PolarHBondContact SG-SG 3.49Å; C135-R137 PolarHBondContact O-N 2.94Å; C135-R137 PolarHBondContact SG-N 2.79Å; C135-C138 WeakPolarHBondContact CB-SG 3.42Å; C135-C138 PolarHBondContact SG-SG 2.99Å; C135-Q139 VanDerWaalsContact O-CA 3.27Å; C135-Q139 WeakPolarHBondContact O-CA 3.2Å; C135-Q139 PolarHBondContact O-N 3.17Å; C135-D140 PolarHBondContact N-O 3.41Å; C135-Y142 HydrophobicContact CB-CD2 4.32Å; C135-Y142 HydrophobicContact CB-CE2 3.84Å |
| 136 | P | 98.4 | Very high | 98.2 | Very high | 4 Ų | 4 | 50.6 Ų | 50.6 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -16.9 | -179 | 29.2 | -36.1 | 0 | 0 | 0 | 114.1 | W99 Q115 P116 Y134 F166 P174 | W99-P136 HydrophobicContact CZ2-CG 4.03Å; Q115-P136 HydrophobicContact CG-CG 4.07Å; P116-P136 WeakPolarHBondContact O-CD 3.29Å; Y134-P136 HydrophobicContact CE1-CB 3.98Å; P136-F166 HydrophobicContact CB-CE1 4.23Å; P136-F166 HydrophobicContact CB-CE2 3.51Å; P136-F166 HydrophobicContact CB-CZ 3.32Å; P136-F166 HydrophobicContact CG-CE2 4.38Å; P136-F166 HydrophobicContact CG-CZ 3.88Å; P136-P174 HydrophobicContact CB-CG 3.92Å; P136-P174 HydrophobicContact CG-CG 3.99Å |
| 137 | R | 97.9 | Very high | 98.2 | Very high | 53 Ų | 53 | 53.3 Ų | 53.3 | 20% | 0.2 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -46.3 | -179.7 | -179.1 | 177.6 | -65.7 | -120.2 | 5.6 | 113.4 | C112 E113 Q115 C135 P174 | C112-R137 WeakPolarHBondContact O-CD 3.13Å; E113-R137 IonicContact OE2-NH1 3.69Å; Q115-R137 HydrophobicContact CB-CB 4.13Å; Q115-R137 HydrophobicContact CG-CB 3.72Å; C135-R137 PolarHBondContact O-N 2.94Å; C135-R137 PolarHBondContact SG-N 2.79Å; R137-P174 HydrophobicContact CB-CB 4.45Å; R137-P174 HydrophobicContact CB-CG 3.93Å |
| 138 | C | 97.6 | Very high | 98.2 | Very high | 25 Ų | 25 | 55.6 Ų | 55.6 | 17% | 0.169 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -6.8 | 176.5 | 61.9 | 0 | 0 | 0 | 0 | 113.9 | C112 C135 Y142 | C112-C138 VanDerWaalsContact SG-CB 3.54Å; C135-C138 WeakPolarHBondContact CB-SG 3.42Å; C135-C138 PolarHBondContact SG-SG 2.99Å; C138-Y142 PolarHBondContact SG-OH 3.17Å |
| 139 | Q | 97.7 | Very high | 98.2 | Very high | 91 Ų | 91 | 50.3 Ų | 50.3 | 43% | 0.425 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 46.7 | 175.6 | -49.9 | -174.2 | -71 | 0 | 0 | 112.3 | C135 | C135-Q139 VanDerWaalsContact O-CA 3.27Å; C135-Q139 WeakPolarHBondContact O-CA 3.2Å; C135-Q139 PolarHBondContact O-N 3.17Å |
| 140 | D | 98.3 | Very high | 98.2 | Very high | 72 Ų | 72 | 52.4 Ų | 52.4 | 39% | 0.385 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 160.2 | -171.6 | -170 | 13.8 | 0 | 0 | 0 | 109.7 | C135 Y142 | C135-D140 PolarHBondContact N-O 3.41Å; D140-Y142 HydrophobicContact CB-CE2 4.32Å; D140-Y142 WeakPolarHBondContact CB-OH 3.46Å; D140-Y142 WeakPolarHBondContact O-CE2 3.39Å; D140-Y142 PolarHBondContact OD2-OH 2.98Å |
| 141 | T | 98.6 | Very high | 98.1 | Very high | 57 Ų | 57 | 57.2 Ų | 57.2 | 35% | 0.35 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 145.6 | -171.8 | 57.8 | 0 | 0 | 0 | 0 | 112.4 | V120 I133 Y134 | V120-T141 HydrophobicContact CG1-CG2 3.98Å; I133-T141 CarbonylContact O-C 3.53Å; I133-T141 WeakPolarHBondContact O-CA 3.28Å; Y134-T141 HydrophobicContact CD2-CG2 4.33Å |
| 142 | Y | 98.8 | Very high | 98.1 | Very high | 38 Ų | 38 | 57.7 Ų | 57.7 | 15% | 0.149 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 155.9 | -179.7 | -54 | -81.5 | 0 | 0 | 0 | 111.3 | P108 R109 K132 I133 C135 C138 D140 | P108-Y142 HydrophobicContact CG-CD1 3.34Å; P108-Y142 HydrophobicContact CG-CD2 4.1Å; P108-Y142 HydrophobicContact CG-CE1 3.9Å; P108-Y142 HydrophobicContact CG-CG 3.48Å; P108-Y142 VanDerWaalsContact CG-CG 3.48Å; R109-Y142 WeakPolarHBondContact CD-OH 3.5Å; R109-Y142 HydrophobicContact CG-CE1 4.23Å; K132-Y142 WeakPolarHBondContact CA-O 3.23Å; K132-Y142 WeakPolarHBondContact CB-O 3.36Å; I133-Y142 WeakPolarHBondContact CG1-O 3.34Å; I133-Y142 PolarHBondContact N-O 2.86Å; I133-Y142 PolarHBondContact O-N 3.27Å; C135-Y142 HydrophobicContact CB-CD2 4.32Å; C135-Y142 HydrophobicContact CB-CE2 3.84Å; C138-Y142 PolarHBondContact SG-OH 3.17Å; D140-Y142 HydrophobicContact CB-CE2 4.32Å; D140-Y142 WeakPolarHBondContact CB-OH 3.46Å; D140-Y142 WeakPolarHBondContact O-CE2 3.39Å; D140-Y142 PolarHBondContact OD2-OH 2.98Å |
| 143 | T | 98.6 | Very high | 98.1 | Very high | 81 Ų | 81 | 56.3 Ų | 56.3 | 50% | 0.497 | 28% | 0.279 | S | S | . | . | trans | -74.1 | 138 | 169.5 | -63.2 | 0 | 0 | 0 | 0 | 109.8 | K132 K145 | K132-T143 PolarHBondContact NZ-OG1 2.81Å; T143-K145 PolarHBondContact O-N 3.37Å | ||
| 144 | P | 98.3 | Very high | 98.1 | Very high | 6 Ų | 6 | 55.9 Ų | 55.9 | 4% | 0.039 | 28% | 0.277 | C | S | . | . | trans | -54.2 | 138.1 | 174.4 | -24.6 | 32.9 | 0 | 0 | 0 | 112 | F21 V131 I133 H149 H150 | F21-P144 HydrophobicContact CE2-CG 4.18Å; F21-P144 HydrophobicContact CZ-CB 4.43Å; V131-P144 HydrophobicContact CG1-CG 4.29Å; V131-P144 VanDerWaalsContact O-CD 3.31Å; V131-P144 WeakPolarHBondContact O-CD 3.24Å; V131-P144 WeakPolarHBondContact O-CG 3.49Å; I133-P144 HydrophobicContact CG2-CG 4.3Å; P144-H149 HydrophobicContact CB-CB 3.95Å; P144-H149 HydrophobicContact CG-CB 4.25Å; P144-H150 PolarHBondContact O-NE2 2.83Å | ||
| 145 | K | 96.7 | Very high | 98.1 | Very high | 213 Ų | 213 | 55.3 Ų | 55.3 | 93% | 0.926 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -66.1 | -42.3 | -175.9 | -176.4 | -177.5 | 178 | -175.1 | 0 | 112.9 | T143 | T143-K145 PolarHBondContact O-N 3.37Š|
| 146 | S | 96.7 | Very high | 98.1 | Very high | 43 Ų | 43 | 57 Ų | 57 | 30% | 0.301 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -84 | 133.5 | 180 | -169 | 0 | 0 | 0 | 0 | 110 | R148 H149 H150 | S146-R148 PolarHBondContact O-N 3.38Å; S146-R148 VanDerWaalsContact O-N 3.17Å; S146-R148 WeakPolarHBondContact OG-CG 3.44Å; S146-R148 PolarHBondContact OG-NE 3.02Å; S146-H149 PolarHBondContact O-N 3.32Å; S146-H150 PolarHBondContact O-CD2 2.98Å; S146-H150 PolarHBondContact O-NE2 2.85Å |
| 147 | T | 97.4 | Very high | 98.1 | Very high | 95 Ų | 95 | 56.9 Ų | 56.9 | 58% | 0.583 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -63.7 | -16.2 | 176.1 | 52.9 | 0 | 0 | 0 | 0 | 113.5 | H149 H150 | T147-H149 PolarHBondContact O-N 3.22Å; T147-H150 WeakPolarHBondContact O-CB 3.19Å; T147-H150 PolarHBondContact O-N 2.78Å; T147-H150 VanDerWaalsContact O-N 3.15Å |
| 148 | R | 97.5 | Very high | 98.2 | Very high | 106 Ų | 106 | 54.6 Ų | 54.6 | 40% | 0.4 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -62 | -29.8 | 177.4 | 77.6 | 179.2 | 68.1 | -170.7 | -0.1 | 113.1 | R17 G18 E20 S146 | R17-R148 HydrophobicContact CG-CB 4.48Å; G18-R148 WeakPolarHBondContact CA-O 3.03Å; E20-R148 WeakPolarHBondContact OE1-CD 3.14Å; E20-R148 IonicContact OE1-CZ 3.73Å; E20-R148 IonicContact OE1-NE 3.69Å; E20-R148 IonicContact OE1-NH1 3.85Å; E20-R148 PolarHBondContact OE1-NH1 3.36Å; S146-R148 PolarHBondContact O-N 3.38Å; S146-R148 VanDerWaalsContact O-N 3.17Å; S146-R148 WeakPolarHBondContact OG-CG 3.44Å; S146-R148 PolarHBondContact OG-NE 3.02Å |
| 149 | H | 98.2 | Very high | 98.2 | Very high | 20 Ų | 20 | 55.9 Ų | 55.9 | 9% | 0.093 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -94.1 | 9.4 | 180 | -44.6 | 119.6 | 0 | 0 | 0 | 112.3 | E20 F21 P144 S146 T147 H151 | E20-H149 IonicContact OE2-CD2 3.63Å; E20-H149 IonicContact OE2-NE2 3.58Å; E20-H149 PolarHBondContact OE2-NE2 3.24Å; F21-H149 AromaticContact CE1-CE1 3.81Å; F21-H149 AromaticContact CE1-NE2 3.9Å; F21-H149 HydrophobicContact CE2-CB 4.38Å; F21-H149 HydrophobicContact CZ-CB 4.47Å; F21-H149 AromaticContact CZ-ND1 3.91Å; P144-H149 HydrophobicContact CB-CB 3.95Å; P144-H149 HydrophobicContact CG-CB 4.25Å; S146-H149 PolarHBondContact O-N 3.32Å; T147-H149 PolarHBondContact O-N 3.22Å; H149-H151 VanDerWaalsContact C-N 3.29Å |
| 150 | H | 98.1 | Very high | 98.3 | Very high | 65 Ų | 65 | 52.9 Ų | 52.9 | 30% | 0.301 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -9.8 | -175.8 | -71.2 | -175.2 | 0 | 0 | 0 | 113.6 | M130 P144 S146 T147 | M130-H150 VanDerWaalsContact CG-O 3.24Å; M130-H150 WeakPolarHBondContact CG-O 3.11Å; P144-H150 PolarHBondContact O-NE2 2.83Å; S146-H150 PolarHBondContact O-CD2 2.98Å; S146-H150 PolarHBondContact O-NE2 2.85Å; T147-H150 WeakPolarHBondContact O-CB 3.19Å; T147-H150 PolarHBondContact O-N 2.78Å; T147-H150 VanDerWaalsContact O-N 3.15Å |
| 151 | H | 98 | Very high | 98.3 | Very high | 167 Ų | 167 | 49.5 Ų | 49.5 | 77% | 0.773 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.5 | 4.6 | 179.8 | -55.3 | 102.4 | 0 | 0 | 0 | 113 | H149 | H149-H151 VanDerWaalsContact C-N 3.29Š|
| 152 | T | 98.6 | Very high | 98.3 | Very high | 11 Ų | 11 | 46.8 Ų | 46.8 | 7% | 0.067 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -83.5 | 124.7 | 175.1 | -42 | 0 | 0 | 0 | 0 | 109.1 | G18 F22 M130 V131 F157 | G18-T152 PolarHBondContact O-OG1 3.38Å; F22-T152 HydrophobicContact CE2-CG2 3.58Å; F22-T152 HydrophobicContact CZ-CG2 3.77Å; M130-T152 WeakPolarHBondContact CA-O 3.27Å; V131-T152 HydrophobicContact CG1-CG2 4.48Å; V131-T152 PolarHBondContact N-O 3.4Å; T152-F157 HydrophobicContact CG2-CE2 3.79Å; T152-F157 HydrophobicContact CG2-CZ 4.31Å |
| 153 | D | 98.8 | Very high | 98.3 | Very high | 13 Ų | 13 | 49.2 Ų | 49.2 | 7% | 0.07 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -65.6 | 137.1 | -179.3 | -156.3 | -61 | 0 | 0 | 0 | 111.6 | G127 A155 Y156 | G127-D153 PolarHBondContact N-OD2 2.73Å; D153-A155 VanDerWaalsContact C-N 3.32Å; D153-A155 VanDerWaalsContact OD1-CB 3.24Å; D153-A155 WeakPolarHBondContact OD1-CB 3.45Å; D153-A155 PolarHBondContact OD1-N 3.32Å; D153-Y156 HydrophobicContact CB-CD1 4.24Å; D153-Y156 HydrophobicContact CB-CD2 3.62Å; D153-Y156 HydrophobicContact CB-CE1 4.07Å; D153-Y156 HydrophobicContact CB-CE2 3.45Å; D153-Y156 VanDerWaalsContact CB-CE2 3.45Å; D153-Y156 HydrophobicContact CB-CG 4.03Å; D153-Y156 PolarHBondContact O-N 3.09Å |
| 154 | G | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -71.1 | -27.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | G121 A129 Y156 F157 G158 | G121-G154 WeakPolarHBondContact CA-O 3.45Å; A129-G154 WeakPolarHBondContact O-CA 3.12Å; A129-G154 PolarHBondContact O-N 3.41Å; G154-Y156 PolarHBondContact O-N 3.05Å; G154-Y156 VanDerWaalsContact O-N 3.15Å; G154-F157 PolarHBondContact O-N 3.3Å; G154-G158 PolarHBondContact O-N 2.93Å; G154-G158 VanDerWaalsContact O-N 3.1Å |
| 155 | A | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -60.4 | -24.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S83 P126 D153 F157 G158 | S83-A155 WeakPolarHBondContact CB-O 3.32Å; P126-A155 HydrophobicContact CG-CB 4.08Å; D153-A155 VanDerWaalsContact C-N 3.32Å; D153-A155 VanDerWaalsContact OD1-CB 3.24Å; D153-A155 WeakPolarHBondContact OD1-CB 3.45Å; D153-A155 PolarHBondContact OD1-N 3.32Å; A155-F157 PolarHBondContact O-N 3.11Å; A155-G158 PolarHBondContact O-N 2.82Å |
| 156 | Y | 98.9 | Very high | 98.4 | Very high | 37 Ų | 37 | 38.8 Ų | 38.8 | 15% | 0.145 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -75.1 | -6.4 | 178.2 | -53.5 | -22.3 | 0 | 0 | 0 | 114.2 | F22 G79 L80 H82 S83 D153 G154 | F22-Y156 HydrophobicContact CZ-CD2 4.02Å; G79-Y156 VanDerWaalsContact C-CD1 3.44Å; G79-Y156 VanDerWaalsContact CA-CD1 3.48Å; G79-Y156 VanDerWaalsContact CA-CG 3.42Å; G79-Y156 VanDerWaalsContact O-CA 3.27Å; G79-Y156 WeakPolarHBondContact O-CA 3.5Å; L80-Y156 HydrophobicContact CD2-CD1 4.48Å; L80-Y156 HydrophobicContact CG-CE1 4.47Å; H82-Y156 PolarHBondContact ND1-O 3.49Å; S83-Y156 WeakPolarHBondContact CA-O 3.23Å; S83-Y156 WeakPolarHBondContact CB-O 3.32Å; S83-Y156 PolarHBondContact N-O 3.07Å; D153-Y156 HydrophobicContact CB-CD1 4.24Å; D153-Y156 HydrophobicContact CB-CD2 3.62Å; D153-Y156 HydrophobicContact CB-CE1 4.07Å; D153-Y156 HydrophobicContact CB-CE2 3.45Å; D153-Y156 VanDerWaalsContact CB-CE2 3.45Å; D153-Y156 HydrophobicContact CB-CG 4.03Å; D153-Y156 PolarHBondContact O-N 3.09Å; G154-Y156 PolarHBondContact O-N 3.05Å; G154-Y156 VanDerWaalsContact O-N 3.15Å |
| 157 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | -22.2 | 172.1 | -59 | -86.5 | 0 | 0 | 0 | 112.1 | F21 F22 H82 I86 M95 P119 V131 T152 G154 A155 F161 | F21-F157 HydrophobicContact CB-CE1 3.67Å; F21-F157 HydrophobicContact CB-CZ 3.49Å; F21-F157 VanDerWaalsContact CB-CZ 3.49Å; F21-F157 HydrophobicContact CD2-CZ 4.45Å; F21-F157 WeakPolarHBondContact O-CE1 3.26Å; F22-F157 HydrophobicContact CD1-CZ 4.37Å; F22-F157 HydrophobicContact CD2-CZ 4.4Å; F22-F157 HydrophobicContact CE1-CZ 4.2Å; F22-F157 HydrophobicContact CE2-CZ 4.25Å; F22-F157 HydrophobicContact CG-CZ 4.47Å; F22-F157 HydrophobicContact CZ-CE2 4.31Å; F22-F157 HydrophobicContact CZ-CZ 4.15Å; H82-F157 AromaticContact CE1-CD1 3.9Å; H82-F157 AromaticContact CE1-CE1 3.75Å; I86-F157 HydrophobicContact CD1-CB 4.36Å; I86-F157 HydrophobicContact CD1-CD1 4.33Å; I86-F157 WeakPolarHBondContact CD1-O 3.41Å; M95-F157 HydrophobicContact CE-CD1 4.48Å; P119-F157 HydrophobicContact CB-CB 4.42Å; P119-F157 HydrophobicContact CB-CD1 3.47Å; P119-F157 VanDerWaalsContact CB-CD1 3.47Å; P119-F157 HydrophobicContact CB-CD2 4.5Å; P119-F157 HydrophobicContact CB-CE1 3.8Å; P119-F157 HydrophobicContact CB-CG 3.86Å; P119-F157 HydrophobicContact CB-CZ 4.45Å; P119-F157 HydrophobicContact CG-CD1 3.5Å; P119-F157 VanDerWaalsContact CG-CD1 3.5Å; P119-F157 HydrophobicContact CG-CE1 3.84Å; P119-F157 HydrophobicContact CG-CG 4.3Å; V131-F157 HydrophobicContact CB-CD2 4Å; V131-F157 HydrophobicContact CB-CE2 4Å; V131-F157 HydrophobicContact CG2-CD2 3.43Å; V131-F157 VanDerWaalsContact CG2-CD2 3.43Å; V131-F157 HydrophobicContact CG2-CE2 3.63Å; V131-F157 HydrophobicContact CG2-CG 4.07Å; V131-F157 HydrophobicContact CG2-CZ 4.41Å; T152-F157 HydrophobicContact CG2-CE2 3.79Å; T152-F157 HydrophobicContact CG2-CZ 4.31Å; G154-F157 PolarHBondContact O-N 3.3Å; A155-F157 PolarHBondContact O-N 3.11Å; F157-F161 VanDerWaalsContact O-CB 3.23Å; F157-F161 WeakPolarHBondContact O-CB 3.26Å |
| 158 | G | 98.7 | Very high | 98.6 | Very high | 6 Ų | 6 | 41 Ų | 41 | 6% | 0.062 | 21% | 0.207 | C | C | . | . | trans | 72.4 | 163.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | G121 D124 G154 A155 | G121-G158 PolarHBondContact N-O 3.23Å; D124-G158 WeakPolarHBondContact OD1-CA 3.4Å; G154-G158 PolarHBondContact O-N 2.93Å; G154-G158 VanDerWaalsContact O-N 3.1Å; A155-G158 PolarHBondContact O-N 2.82Å | ||
| 159 | T | 98.8 | Very high | 98.6 | Very high | 51 Ų | 51 | 38 Ų | 38 | 31% | 0.313 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -76 | -28.2 | -178.3 | 59.8 | 0 | 0 | 0 | 0 | 112.6 | G121 D124 H163 | G121-T159 WeakPolarHBondContact O-CA 3.38Å; D124-T159 PolarHBondContact OD1-N 2.96Å; D124-T159 PolarHBondContact OD1-OG1 3.45Å; D124-T159 WeakPolarHBondContact OD2-CG2 3.49Å; D124-T159 PolarHBondContact OD2-OG1 3.43Å; T159-H163 PolarHBondContact O-CD2 3.19Å |
| 160 | G | 98.5 | Very high | 98.6 | Very high | 29 Ų | 29 | 40.8 Ų | 40.8 | 30% | 0.299 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -91.4 | -17.7 | -172 | 0 | 0 | 0 | 0 | 0 | 116 | H163 M164 | G160-H163 WeakPolarHBondContact O-CA 3.42Å; G160-H163 WeakPolarHBondContact O-CB 3.41Å; G160-H163 PolarHBondContact O-N 3.08Å; G160-M164 PolarHBondContact O-N 3Å |
| 161 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -55 | -54.3 | -165.2 | 161.8 | -110.8 | 0 | 0 | 0 | 114.6 | I86 L87 M95 L118 P119 F157 H163 M164 L165 | I86-F161 HydrophobicContact CB-CD2 3.84Å; I86-F161 HydrophobicContact CB-CE2 4.01Å; I86-F161 HydrophobicContact CD1-CB 3.81Å; I86-F161 HydrophobicContact CD1-CD1 3.86Å; I86-F161 HydrophobicContact CD1-CD2 3.69Å; I86-F161 HydrophobicContact CD1-CE1 4.44Å; I86-F161 HydrophobicContact CD1-CE2 4.28Å; I86-F161 HydrophobicContact CD1-CG 3.47Å; I86-F161 VanDerWaalsContact CD1-CG 3.47Å; I86-F161 HydrophobicContact CG1-CB 4.13Å; I86-F161 HydrophobicContact CG1-CD2 3.63Å; I86-F161 HydrophobicContact CG1-CE2 4.28Å; I86-F161 HydrophobicContact CG1-CG 3.88Å; I86-F161 VanDerWaalsContact O-CD2 3.23Å; I86-F161 WeakPolarHBondContact O-CD2 3.29Å; I86-F161 WeakPolarHBondContact O-CE2 3.39Å; L87-F161 HydrophobicContact CD2-CB 4.21Å; M95-F161 HydrophobicContact CB-CE1 4.47Å; M95-F161 HydrophobicContact CB-CE2 3.95Å; M95-F161 HydrophobicContact CB-CZ 3.48Å; M95-F161 VanDerWaalsContact CB-CZ 3.48Å; M95-F161 HydrophobicContact CE-CE1 3.92Å; M95-F161 HydrophobicContact CE-CZ 4.02Å; M95-F161 HydrophobicContact CG-CE2 4.06Å; M95-F161 HydrophobicContact CG-CZ 3.82Å; L118-F161 HydrophobicContact CB-CE1 4.26Å; L118-F161 HydrophobicContact CD2-CE1 4.05Å; L118-F161 HydrophobicContact CD2-CZ 4.19Å; P119-F161 HydrophobicContact CG-CD1 4.42Å; P119-F161 HydrophobicContact CG-CE1 4.11Å; P119-F161 WeakPolarHBondContact O-CD1 3.45Å; F157-F161 VanDerWaalsContact O-CB 3.23Å; F157-F161 WeakPolarHBondContact O-CB 3.26Å; F161-H163 PolarHBondContact O-N 3Å; F161-M164 PolarHBondContact O-N 3Å; F161-L165 HydrophobicContact CE2-CB 4.45Å; F161-L165 HydrophobicContact CE2-CD1 4.16Å; F161-L165 HydrophobicContact CZ-CD1 3.82Å; F161-L165 PolarHBondContact O-N 3.04Å |
| 162 | P | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.9 | -32 | 179.7 | -22.3 | 32.5 | 0 | 0 | 0 | 112.7 | L118 P119 V120 Y134 F166 | L118-P162 HydrophobicContact CB-CB 4.3Å; L118-P162 HydrophobicContact CB-CG 4.2Å; L118-P162 HydrophobicContact CD1-CB 4.06Å; P119-P162 WeakPolarHBondContact O-CG 3.5Å; V120-P162 HydrophobicContact CB-CG 3.81Å; V120-P162 HydrophobicContact CG2-CG 3.81Å; Y134-P162 HydrophobicContact CD1-CB 3.5Å; Y134-P162 HydrophobicContact CD1-CG 4.21Å; Y134-P162 HydrophobicContact CE1-CB 4.08Å; Y134-P162 HydrophobicContact CG-CB 3.97Å; Y134-P162 HydrophobicContact CG-CG 4.23Å; P162-F166 WeakPolarHBondContact O-CD2 3.46Å; P162-F166 PolarHBondContact O-N 2.81Å |
| 163 | H | 98.7 | Very high | 98.5 | Very high | 90 Ų | 90 | 44.6 Ų | 44.6 | 42% | 0.417 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -70.3 | -45.3 | 179.5 | -55.2 | -50.8 | 0 | 0 | 0 | 111.1 | T159 G160 F161 L165 F166 L167 | T159-H163 PolarHBondContact O-CD2 3.19Å; G160-H163 WeakPolarHBondContact O-CA 3.42Å; G160-H163 WeakPolarHBondContact O-CB 3.41Å; G160-H163 PolarHBondContact O-N 3.08Å; F161-H163 PolarHBondContact O-N 3Å; H163-L165 VanDerWaalsContact C-N 3.33Å; H163-L165 PolarHBondContact O-N 3.33Å; H163-F166 PolarHBondContact O-N 2.96Å; H163-L167 WeakPolarHBondContact O-CG 3.32Å; H163-L167 PolarHBondContact O-N 3.18Å |
| 164 | M | 98.7 | Very high | 98.5 | Very high | 73 Ų | 73 | 45.3 Ų | 45.3 | 36% | 0.36 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.2 | -45.1 | 175.3 | -172.5 | 61.6 | 84.7 | 0 | 0 | 111.1 | L87 I92 G160 F161 F166 L167 V168 | L87-M164 HydrophobicContact CD2-CB 3.83Å; L87-M164 HydrophobicContact CD2-CG 4.19Å; I92-M164 HydrophobicContact CD1-CG 4.01Å; G160-M164 PolarHBondContact O-N 3Å; F161-M164 PolarHBondContact O-N 3Å; M164-F166 VanDerWaalsContact C-N 3.31Å; M164-F166 PolarHBondContact O-N 2.91Å; M164-L167 WeakPolarHBondContact O-CB 3.41Å; M164-L167 PolarHBondContact O-N 3.44Å; M164-V168 HydrophobicContact CG-CG2 4.34Å; M164-V168 WeakPolarHBondContact O-CG2 3.3Å; M164-V168 PolarHBondContact O-N 3.5Å; M164-V168 HydrophobicContact SD-CG2 4.26Å |
| 165 | L | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -53.4 | -46.3 | 177.6 | -176.3 | 154.7 | 0 | 0 | 0 | 112.1 | I92 V96 L118 F161 H163 V168 H169 | I92-L165 HydrophobicContact CG2-CD1 4.49Å; I92-L165 HydrophobicContact CG2-CG 4.16Å; V96-L165 HydrophobicContact CG2-CD1 3.73Å; V96-L165 HydrophobicContact CG2-CD2 4.45Å; V96-L165 HydrophobicContact CG2-CG 4.08Å; L118-L165 HydrophobicContact CD1-CD1 3.91Å; L118-L165 HydrophobicContact CD1-CD2 4.21Å; L118-L165 HydrophobicContact CD2-CD1 3.89Å; F161-L165 HydrophobicContact CE2-CB 4.45Å; F161-L165 HydrophobicContact CE2-CD1 4.16Å; F161-L165 HydrophobicContact CZ-CD1 3.82Å; F161-L165 PolarHBondContact O-N 3.04Å; H163-L165 VanDerWaalsContact C-N 3.33Å; H163-L165 PolarHBondContact O-N 3.33Å; L165-V168 PolarHBondContact O-N 3Å; L165-H169 PolarHBondContact O-N 3.47Å |
| 166 | F | 98.5 | Very high | 98.1 | Very high | 7 Ų | 7 | 63.6 Ų | 63.6 | 3% | 0.031 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -80.5 | -12.4 | 179 | -64.7 | -61 | 0 | 0 | 0 | 114.7 | W99 L118 Y134 P136 P162 H163 M164 P170 R173 | W99-F166 HydrophobicContact CH2-CE1 4.24Å; W99-F166 HydrophobicContact CH2-CZ 4.42Å; W99-F166 HydrophobicContact CZ2-CZ 4.39Å; L118-F166 HydrophobicContact CD1-CE2 3.73Å; L118-F166 HydrophobicContact CD1-CZ 3.82Å; Y134-F166 HydrophobicContact CD1-CE2 4.49Å; Y134-F166 HydrophobicContact CE1-CD2 4.43Å; Y134-F166 AromaticContact CE1-CE2 3.97Å; Y134-F166 HydrophobicContact CE1-CE2 3.97Å; P136-F166 HydrophobicContact CB-CE1 4.23Å; P136-F166 HydrophobicContact CB-CE2 3.51Å; P136-F166 HydrophobicContact CB-CZ 3.32Å; P136-F166 HydrophobicContact CG-CE2 4.38Å; P136-F166 HydrophobicContact CG-CZ 3.88Å; P162-F166 WeakPolarHBondContact O-CD2 3.46Å; P162-F166 PolarHBondContact O-N 2.81Å; H163-F166 PolarHBondContact O-N 2.96Å; M164-F166 VanDerWaalsContact C-N 3.31Å; M164-F166 PolarHBondContact O-N 2.91Å; F166-P170 WeakPolarHBondContact O-CA 3.31Å; F166-R173 HydrophobicContact CD1-CB 4.01Å |
| 167 | L | 98.3 | Very high | 97.9 | Very high | 133 Ų | 133 | 63.7 Ų | 63.7 | 70% | 0.696 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -77 | -40.4 | 167.9 | -73.8 | 171.1 | 0 | 0 | 0 | 110.6 | H163 M164 | H163-L167 WeakPolarHBondContact O-CG 3.32Å; H163-L167 PolarHBondContact O-N 3.18Å; M164-L167 WeakPolarHBondContact O-CB 3.41Å; M164-L167 PolarHBondContact O-N 3.44Å |
| 168 | V | 98.3 | Very high | 97.5 | Very high | 53 Ų | 53 | 68.2 Ų | 68.2 | 32% | 0.321 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -74.8 | -40.8 | 177.1 | 179.2 | 0 | 0 | 0 | 0 | 111.6 | I92 M164 L165 P170 | I92-V168 HydrophobicContact CD1-CB 4.2Å; I92-V168 HydrophobicContact CD1-CG2 3.8Å; M164-V168 HydrophobicContact CG-CG2 4.34Å; M164-V168 WeakPolarHBondContact O-CG2 3.3Å; M164-V168 PolarHBondContact O-N 3.5Å; M164-V168 HydrophobicContact SD-CG2 4.26Å; L165-V168 PolarHBondContact O-N 3Å; V168-P170 VanDerWaalsContact C-CD 3.49Å; V168-P170 WeakPolarHBondContact O-CD 3.45Å |
| 169 | H | 98.3 | Very high | 97.2 | Very high | 41 Ų | 41 | 74.6 Ų | 74.6 | 19% | 0.19 | 37% | 0.373 | C | S | . | . | trans | -122.9 | 73.4 | 179.4 | -65.1 | -73.9 | 0 | 0 | 0 | 112.8 | L165 E171 Y172 | L165-H169 PolarHBondContact O-N 3.47Å; H169-E171 VanDerWaalsContact C-OE2 3.28Å; H169-E171 WeakPolarHBondContact CA-OE2 3.3Å; H169-E171 IonicContact CG-OE1 2.81Å; H169-E171 IonicContact ND1-OE1 3.68Å; H169-E171 PolarHBondContact ND1-OE1 2.96Å; H169-E171 PolarHBondContact O-N 3.21Å; H169-Y172 HydrophobicContact CB-CD2 3.39Å; H169-Y172 HydrophobicContact CB-CE2 3.85Å; H169-Y172 HydrophobicContact CB-CG 4.21Å; H169-Y172 AromaticContact CG-CD2 3.91Å; H169-Y172 AromaticContact CG-CE2 3.85Å; H169-Y172 PolarHBondContact O-N 2.86Å | ||
| 170 | P | 98.2 | Very high | 96.9 | Very high | 80 Ų | 80 | 79.3 Ų | 79.3 | 52% | 0.519 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -59 | -29.1 | 178.2 | -23.4 | 33.9 | 0 | 0 | 0 | 114 | F166 V168 Y172 R173 | F166-P170 WeakPolarHBondContact O-CA 3.31Å; V168-P170 VanDerWaalsContact C-CD 3.49Å; V168-P170 WeakPolarHBondContact O-CD 3.45Å; P170-Y172 PolarHBondContact O-N 3.26Å; P170-R173 WeakPolarHBondContact O-CB 3.26Å; P170-R173 PolarHBondContact O-N 3.23Å; P170-R173 VanDerWaalsContact O-N 3.07Å |
| 171 | E | 97.9 | Very high | 96.8 | Very high | 128 Ų | 128 | 84.9 Ų | 84.9 | 60% | 0.598 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -60.9 | -23.9 | 178.5 | 65.7 | -82 | -169.5 | 0 | 0 | 113.4 | H169 R173 | H169-E171 VanDerWaalsContact C-OE2 3.28Å; H169-E171 WeakPolarHBondContact CA-OE2 3.3Å; H169-E171 IonicContact CG-OE1 2.81Å; H169-E171 IonicContact ND1-OE1 3.68Å; H169-E171 PolarHBondContact ND1-OE1 2.96Å; H169-E171 PolarHBondContact O-N 3.21Å; E171-R173 VanDerWaalsContact C-N 3.34Å |
| 172 | Y | 98 | Very high | 96.6 | Very high | 79 Ų | 79 | 88.1 Ų | 88.1 | 31% | 0.31 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -83.3 | -9.2 | 177 | -69.5 | -31.8 | 0 | 0 | 0 | 113.9 | V96 W99 H169 P170 P174 | V96-Y172 HydrophobicContact CG1-CD2 4.32Å; V96-Y172 HydrophobicContact CG1-CE2 3.64Å; V96-Y172 HydrophobicContact CG2-CD2 4.31Å; V96-Y172 HydrophobicContact CG2-CE2 4.12Å; W99-Y172 HydrophobicContact CZ3-CD1 4.45Å; W99-Y172 HydrophobicContact CZ3-CD2 4.41Å; W99-Y172 AromaticContact CZ3-CG 3.98Å; W99-Y172 HydrophobicContact CZ3-CG 3.98Å; H169-Y172 HydrophobicContact CB-CD2 3.39Å; H169-Y172 HydrophobicContact CB-CE2 3.85Å; H169-Y172 HydrophobicContact CB-CG 4.21Å; H169-Y172 AromaticContact CG-CD2 3.91Å; H169-Y172 AromaticContact CG-CE2 3.85Å; H169-Y172 PolarHBondContact O-N 2.86Å; P170-Y172 PolarHBondContact O-N 3.26Å; Y172-P174 WeakPolarHBondContact O-CD 3.43Å |
| 173 | R | 97.8 | Very high | 96.5 | Very high | 116 Ų | 116 | 89 Ų | 89 | 44% | 0.438 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 119.4 | 179.7 | -175.5 | 167.5 | -82.6 | -158.6 | -2.9 | 110.2 | F166 P170 E171 | F166-R173 HydrophobicContact CD1-CB 4.01Å; P170-R173 WeakPolarHBondContact O-CB 3.26Å; P170-R173 PolarHBondContact O-N 3.23Å; P170-R173 VanDerWaalsContact O-N 3.07Å; E171-R173 VanDerWaalsContact C-N 3.34Å |
| 174 | P | 97.4 | Very high | 96.5 | Very high | 28 Ų | 28 | 91.9 Ų | 91.9 | 18% | 0.182 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 155 | -178.1 | 30.4 | -36 | 0 | 0 | 0 | 111.6 | P136 R137 Y172 | P136-P174 HydrophobicContact CB-CG 3.92Å; P136-P174 HydrophobicContact CG-CG 3.99Å; R137-P174 HydrophobicContact CB-CB 4.45Å; R137-P174 HydrophobicContact CB-CG 3.93Å; Y172-P174 WeakPolarHBondContact O-CD 3.43Å |
| 175 | K | 96.7 | Very high | 96.4 | Very high | 186 Ų | 186 | 93.5 Ų | 93.5 | 81% | 0.809 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 147.9 | 167.8 | -65.4 | -179.5 | -178.4 | 176.5 | 0 | 109.9 | ||
| 176 | R | 93.8 | Very high | 96.4 | Very high | 199 Ų | 199 | 102.4 Ų | 102.4 | 75% | 0.751 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -58 | 151.3 | 173.7 | -70.9 | -174.4 | 172.7 | 178.9 | -1.8 | 110.9 | S178 | R176-S178 PolarHBondContact O-N 3.4Š|
| 177 | A | 93.8 | Very high | 96.3 | Very high | 38 Ų | 38 | 104.5 Ų | 104.5 | 31% | 0.314 | 51% | 0.514 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 130.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | Y111 K179 | Y111-A177 VanDerWaalsContact O-CB 3.28Å; Y111-A177 WeakPolarHBondContact O-CB 3.35Å; A177-K179 VanDerWaalsContact C-N 3.28Å; A177-K179 PolarHBondContact O-N 3.47Å |
| 178 | S | 91 | Very high | 96.2 | Very high | 96 Ų | 96 | 105.7 Ų | 105.7 | 67% | 0.671 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -75.4 | -19.6 | -178.1 | 62.4 | 0 | 0 | 0 | 0 | 113.1 | R176 | R176-S178 PolarHBondContact O-N 3.4Š|
| 179 | K | 91.6 | Very high | 96.2 | Very high | 140 Ų | 140 | 109.9 Ų | 109.9 | 61% | 0.609 | 53% | 0.528 | S | S | * | . | trans | -131.6 | 152.4 | -176.8 | -66.8 | 174.8 | -174.8 | 170.8 | 0 | 110 | Y111 A177 | Y111-K179 WeakPolarHBondContact CB-O 3.48Å; Y111-K179 HydrophobicContact CD1-CB 3.54Å; Y111-K179 HydrophobicContact CE1-CB 3.73Å; A177-K179 VanDerWaalsContact C-N 3.28Å; A177-K179 PolarHBondContact O-N 3.47Å | ||
| 180 | Q | 93.3 | Very high | 96.2 | Very high | 150 Ų | 150 | 110.9 Ų | 110.9 | 70% | 0.701 | 53% | 0.534 | S | S | * | . | trans | -126.9 | 152.7 | 170.9 | -173.1 | 176.1 | 11.7 | 0 | 0 | 109.3 | T182 | Q180-T182 PolarHBondContact O-N 3.22Å; Q180-T182 PolarHBondContact O-OG1 3.09Å | ||
| 181 | F | 95.7 | Very high | 96.1 | Very high | 146 Ų | 146 | 113.4 Ų | 113.4 | 64% | 0.64 | 54% | 0.539 | S | S | * | . | trans | -56.2 | 124.3 | 173.7 | -178.1 | -111.3 | 0 | 0 | 0 | 110.3 | Y111 A183 | Y111-F181 HydrophobicContact CD2-CB 4.12Å; Y111-F181 HydrophobicContact CE2-CB 3.54Å; Y111-F181 HydrophobicContact CE2-CD2 4.18Å; Y111-F181 HydrophobicContact CE2-CG 4.37Å; F181-A183 HydrophobicContact CE1-CB 3.82Å; F181-A183 HydrophobicContact CZ-CB 4.39Å | ||
| 182 | T | 95.8 | Very high | 96 | Very high | 67 Ų | 67 | 111.4 Ų | 111.4 | 41% | 0.411 | 54% | 0.537 | S | S | . | . | trans | -112.8 | 105 | 174.7 | -58.9 | 0 | 0 | 0 | 0 | 108.3 | Q180 R184 K189 | Q180-T182 PolarHBondContact O-N 3.22Å; Q180-T182 PolarHBondContact O-OG1 3.09Å; T182-R184 HydrophobicContact CG2-CG 4.49Å; T182-R184 PolarHBondContact O-N 2.89Å; T182-K189 HydrophobicContact CG2-CD 4.04Å; T182-K189 HydrophobicContact CG2-CG 3.97Å | ||
| 183 | A | 96.9 | Very high | 96 | Very high | 20 Ų | 20 | 111.7 Ų | 111.7 | 17% | 0.165 | 54% | 0.544 | C | S | . | . | trans | -63.8 | 130.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111 | F181 K189 I190 Y195 | F181-A183 HydrophobicContact CE1-CB 3.82Å; F181-A183 HydrophobicContact CZ-CB 4.39Å; A183-K189 WeakPolarHBondContact O-CA 3.25Å; A183-I190 HydrophobicContact CB-CB 4.44Å; A183-I190 HydrophobicContact CB-CD1 4.09Å; A183-I190 HydrophobicContact CB-CG1 4.36Å; A183-I190 PolarHBondContact O-N 3.14Å; A183-Y195 VanDerWaalsContact CB-OH 3.32Å; A183-Y195 WeakPolarHBondContact CB-OH 3.38Å | ||
| 184 | R | 97.8 | Very high | 96 | Very high | 149 Ų | 149 | 107.8 Ų | 107.8 | 56% | 0.562 | 54% | 0.536 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 139.2 | 177.6 | -66.7 | 179 | -178.6 | -97.3 | 6 | 111.1 | T182 G187 F188 K189 | T182-R184 HydrophobicContact CG2-CG 4.49Å; T182-R184 PolarHBondContact O-N 2.89Å; R184-G187 PolarHBondContact NH1-O 3.31Å; R184-F188 CarbonylContact C-O 3.51Å; R184-F188 WeakPolarHBondContact CA-O 3.47Å; R184-K189 HydrophobicContact CG-CG 4.5Å |
| 185 | L | 97.4 | Very high | 96 | Very high | 107 Ų | 107 | 110.6 Ų | 110.6 | 56% | 0.56 | 54% | 0.543 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 124 | 172.6 | -176.9 | 62.4 | 0 | 0 | 0 | 108.1 | G187 F188 I190 | L185-G187 PolarHBondContact O-N 3.46Å; L185-G187 VanDerWaalsContact O-N 3.16Å; L185-F188 PolarHBondContact N-O 3.28Å; L185-F188 PolarHBondContact O-N 2.86Å; L185-I190 HydrophobicContact CB-CD1 4.44Å; L185-I190 HydrophobicContact CB-CG1 4.47Å |
| 186 | F | 97 | Very high | 96 | Very high | 187 Ų | 187 | 107.2 Ų | 107.2 | 82% | 0.82 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 37.5 | -171.8 | -57.2 | -69.4 | 0 | 0 | 0 | 113.6 | F188 | F186-F188 VanDerWaalsContact C-N 3.27Å; F186-F188 HydrophobicContact CB-CD2 4.5Å; F186-F188 VanDerWaalsContact O-CD2 3.25Å; F186-F188 WeakPolarHBondContact O-CD2 3.38Å; F186-F188 PolarHBondContact O-N 3.18Å |
| 187 | G | 96.3 | Very high | 96.2 | Very high | 52 Ų | 52 | 102.3 Ų | 102.3 | 54% | 0.536 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | -20.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | R184 L185 | R184-G187 PolarHBondContact NH1-O 3.31Å; L185-G187 PolarHBondContact O-N 3.46Å; L185-G187 VanDerWaalsContact O-N 3.16Å |
| 188 | F | 97.9 | Very high | 96.3 | Very high | 158 Ų | 158 | 106.2 Ų | 106.2 | 69% | 0.693 | 53% | 0.53 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 140.8 | -179.4 | -61 | -80.9 | 0 | 0 | 0 | 111.9 | R184 L185 F186 | R184-F188 CarbonylContact C-O 3.51Å; R184-F188 WeakPolarHBondContact CA-O 3.47Å; L185-F188 PolarHBondContact N-O 3.28Å; L185-F188 PolarHBondContact O-N 2.86Å; F186-F188 VanDerWaalsContact C-N 3.27Å; F186-F188 HydrophobicContact CB-CD2 4.5Å; F186-F188 VanDerWaalsContact O-CD2 3.25Å; F186-F188 WeakPolarHBondContact O-CD2 3.38Å; F186-F188 PolarHBondContact O-N 3.18Å |
| 189 | K | 98.1 | Very high | 96.6 | Very high | 140 Ų | 140 | 110 Ų | 110 | 61% | 0.609 | 53% | 0.531 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 140.2 | 173.3 | -64.6 | -176.1 | -178.7 | -179.6 | 0 | 109.8 | T182 A183 R184 | T182-K189 HydrophobicContact CG2-CD 4.04Å; T182-K189 HydrophobicContact CG2-CG 3.97Å; A183-K189 WeakPolarHBondContact O-CA 3.25Å; R184-K189 HydrophobicContact CG-CG 4.5Å |
| 190 | I | 97.2 | Very high | 96.8 | Very high | 63 Ų | 63 | 109 Ų | 109 | 32% | 0.323 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -79.7 | 125 | 172.8 | -56.9 | -179 | 0 | 0 | 0 | 108.8 | A183 L185 A194 Y195 | A183-I190 HydrophobicContact CB-CB 4.44Å; A183-I190 HydrophobicContact CB-CD1 4.09Å; A183-I190 HydrophobicContact CB-CG1 4.36Å; A183-I190 PolarHBondContact O-N 3.14Å; L185-I190 HydrophobicContact CB-CD1 4.44Å; L185-I190 HydrophobicContact CB-CG1 4.47Å; I190-A194 HydrophobicContact CG2-CB 3.88Å; I190-Y195 HydrophobicContact CB-CE2 4.31Å; I190-Y195 HydrophobicContact CG2-CD2 4.42Å; I190-Y195 HydrophobicContact CG2-CE2 3.71Å |
| 191 | H | 97.1 | Very high | 96.9 | Very high | 132 Ų | 132 | 104.9 Ų | 104.9 | 61% | 0.611 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 140.7 | 178.5 | -169.9 | -91.3 | 0 | 0 | 0 | 111 | L193 A194 | H191-L193 VanDerWaalsContact ND1-CB 3.29Å; H191-L193 WeakPolarHBondContact ND1-CB 3.42Å; H191-L193 PolarHBondContact ND1-N 3.08Å; H191-L193 PolarHBondContact O-N 3.26Å; H191-L193 VanDerWaalsContact O-N 3.11Å; H191-A194 VanDerWaalsContact O-CB 3.26Å; H191-A194 WeakPolarHBondContact O-CB 3.18Å; H191-A194 PolarHBondContact O-N 3.3Å |
| 192 | P | 96.4 | Very high | 96.9 | Very high | 86 Ų | 86 | 101.1 Ų | 101.1 | 56% | 0.558 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -53.1 | -34.8 | -178.8 | -30.3 | 36.6 | 0 | 0 | 0 | 115.1 | A194 Y195 | P192-A194 PolarHBondContact O-N 3.39Å; P192-Y195 PolarHBondContact O-N 3.09Å; P192-Y195 VanDerWaalsContact O-N 3.13Å |
| 193 | L | 97.4 | Very high | 96.9 | Very high | 86 Ų | 86 | 101.9 Ų | 101.9 | 45% | 0.45 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -57.1 | -32.8 | 176 | -177.1 | 60.6 | 0 | 0 | 0 | 112.9 | H191 Y195 Q196 L197 | H191-L193 VanDerWaalsContact ND1-CB 3.29Å; H191-L193 WeakPolarHBondContact ND1-CB 3.42Å; H191-L193 PolarHBondContact ND1-N 3.08Å; H191-L193 PolarHBondContact O-N 3.26Å; H191-L193 VanDerWaalsContact O-N 3.11Å; L193-Y195 PolarHBondContact O-N 3.46Å; L193-Q196 PolarHBondContact O-N 3.49Å; L193-L197 HydrophobicContact CD1-CG 4.39Å; L193-L197 HydrophobicContact CG-CD1 4.16Å; L193-L197 HydrophobicContact CG-CG 4.32Å; L193-L197 WeakPolarHBondContact O-CG 3.47Å; L193-L197 PolarHBondContact O-N 2.93Å |
| 194 | A | 97.4 | Very high | 96.7 | Very high | 33 Ų | 33 | 107.2 Ų | 107.2 | 27% | 0.273 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.6 | -37.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I190 H191 P192 Q198 | I190-A194 HydrophobicContact CG2-CB 3.88Å; H191-A194 VanDerWaalsContact O-CB 3.26Å; H191-A194 WeakPolarHBondContact O-CB 3.18Å; H191-A194 PolarHBondContact O-N 3.3Å; P192-A194 PolarHBondContact O-N 3.39Å; A194-Q198 WeakPolarHBondContact O-CB 3.49Å; A194-Q198 WeakPolarHBondContact O-CG 3.39Å; A194-Q198 PolarHBondContact O-N 2.87Å |
| 195 | Y | 97.2 | Very high | 96.3 | Very high | 87 Ų | 87 | 107 Ų | 107 | 34% | 0.341 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.8 | -41.3 | 176.4 | -61.7 | -76.5 | 0 | 0 | 0 | 111.9 | A183 I190 P192 L193 L197 Q198 Y199 | A183-Y195 VanDerWaalsContact CB-OH 3.32Å; A183-Y195 WeakPolarHBondContact CB-OH 3.38Å; I190-Y195 HydrophobicContact CB-CE2 4.31Å; I190-Y195 HydrophobicContact CG2-CD2 4.42Å; I190-Y195 HydrophobicContact CG2-CE2 3.71Å; P192-Y195 PolarHBondContact O-N 3.09Å; P192-Y195 VanDerWaalsContact O-N 3.13Å; L193-Y195 PolarHBondContact O-N 3.46Å; Y195-L197 VanDerWaalsContact C-N 3.35Å; Y195-L197 PolarHBondContact O-N 3.16Å; Y195-Q198 WeakPolarHBondContact O-CB 3.49Å; Y195-Q198 PolarHBondContact O-N 3.14Å; Y195-Y199 WeakPolarHBondContact O-CD2 3.29Å; Y195-Y199 PolarHBondContact O-N 2.81Å |
| 196 | Q | 96.6 | Very high | 95.7 | Very high | 116 Ų | 116 | 108 Ų | 108 | 54% | 0.542 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60.1 | -45.5 | 176.5 | -67.6 | 178.9 | -11.1 | 0 | 0 | 111.5 | L193 Q198 Y199 Q200 | L193-Q196 PolarHBondContact O-N 3.49Å; Q196-Q198 VanDerWaalsContact C-N 3.34Å; Q196-Q198 PolarHBondContact O-N 3.4Å; Q196-Y199 PolarHBondContact O-N 2.88Å; Q196-Q200 WeakPolarHBondContact O-CG 3.47Å; Q196-Q200 PolarHBondContact O-N 3.07Å; Q196-Q200 VanDerWaalsContact O-N 3.08Å |
| 197 | L | 97.5 | Very high | 94.8 | Very high | 96 Ų | 96 | 106.2 Ų | 106.2 | 50% | 0.503 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.2 | -39.8 | 176 | -67.1 | 173.7 | 0 | 0 | 0 | 111.9 | L193 Y195 Q200 A201 | L193-L197 HydrophobicContact CD1-CG 4.39Å; L193-L197 HydrophobicContact CG-CD1 4.16Å; L193-L197 HydrophobicContact CG-CG 4.32Å; L193-L197 WeakPolarHBondContact O-CG 3.47Å; L193-L197 PolarHBondContact O-N 2.93Å; Y195-L197 VanDerWaalsContact C-N 3.35Å; Y195-L197 PolarHBondContact O-N 3.16Å; L197-Q200 PolarHBondContact O-N 3.12Å; L197-A201 WeakPolarHBondContact O-CB 3.25Å; L197-A201 PolarHBondContact O-N 3.37Å |
| 198 | Q | 96.9 | Very high | 93.7 | Very high | 120 Ų | 120 | 108.2 Ų | 108.2 | 56% | 0.561 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.4 | -43.5 | 175.1 | -77 | 172 | -6.2 | 0 | 0 | 112.2 | A194 Y195 Q196 Q200 A201 A202 | A194-Q198 WeakPolarHBondContact O-CB 3.49Å; A194-Q198 WeakPolarHBondContact O-CG 3.39Å; A194-Q198 PolarHBondContact O-N 2.87Å; Y195-Q198 WeakPolarHBondContact O-CB 3.49Å; Y195-Q198 PolarHBondContact O-N 3.14Å; Q196-Q198 VanDerWaalsContact C-N 3.34Å; Q196-Q198 PolarHBondContact O-N 3.4Å; Q198-Q200 PolarHBondContact O-N 3.06Å; Q198-A201 PolarHBondContact O-N 3.46Å; Q198-A202 WeakPolarHBondContact O-CB 3.45Å; Q198-A202 PolarHBondContact O-N 3.25Å |
| 199 | Y | 97 | Very high | 92.1 | Very high | 176 Ų | 176 | 107.2 Ų | 107.2 | 69% | 0.69 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.3 | -41.7 | 176.3 | -73.5 | -58.6 | 0 | 0 | 0 | 112.1 | Y195 Q196 A202 A203 | Y195-Y199 WeakPolarHBondContact O-CD2 3.29Å; Y195-Y199 PolarHBondContact O-N 2.81Å; Q196-Y199 PolarHBondContact O-N 2.88Å; Y199-A202 PolarHBondContact O-N 3.45Å; Y199-A203 WeakPolarHBondContact O-CB 3.4Å; Y199-A203 PolarHBondContact O-N 2.9Å |
| 200 | Q | 96.3 | Very high | 90.4 | Very high | 119 Ų | 119 | 110.5 Ų | 110.5 | 56% | 0.556 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64.4 | -44.6 | 175.6 | -70.6 | 175.4 | -3.3 | 0 | 0 | 112 | Q196 L197 Q198 A202 A203 N204 | Q196-Q200 WeakPolarHBondContact O-CG 3.47Å; Q196-Q200 PolarHBondContact O-N 3.07Å; Q196-Q200 VanDerWaalsContact O-N 3.08Å; L197-Q200 PolarHBondContact O-N 3.12Å; Q198-Q200 PolarHBondContact O-N 3.06Å; Q200-A202 VanDerWaalsContact C-N 3.32Å; Q200-A202 PolarHBondContact O-N 3.35Å; Q200-A203 PolarHBondContact O-N 3.27Å; Q200-N204 PolarHBondContact O-N 3.22Å; Q200-N204 PolarHBondContact O-ND2 3.25Å |
| 201 | A | 95.9 | Very high | 88.2 | Confident | 62 Ų | 62 | 113.9 Ų | 113.9 | 51% | 0.512 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -61.6 | -41 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | L197 Q198 N204 Y205 | L197-A201 WeakPolarHBondContact O-CB 3.25Å; L197-A201 PolarHBondContact O-N 3.37Å; Q198-A201 PolarHBondContact O-N 3.46Å; A201-N204 PolarHBondContact O-N 3.03Å; A201-Y205 PolarHBondContact O-N 3.39Å; A201-Y205 VanDerWaalsContact O-N 3.12Å |
| 202 | A | 95.5 | Very high | 86.5 | Confident | 68 Ų | 68 | 110.9 Ų | 110.9 | 56% | 0.562 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -64.8 | -41.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q198 Y199 Q200 N204 Y205 | Q198-A202 WeakPolarHBondContact O-CB 3.45Å; Q198-A202 PolarHBondContact O-N 3.25Å; Y199-A202 PolarHBondContact O-N 3.45Å; Q200-A202 VanDerWaalsContact C-N 3.32Å; Q200-A202 PolarHBondContact O-N 3.35Å; A202-N204 VanDerWaalsContact C-N 3.29Å; A202-N204 PolarHBondContact O-N 3.22Å; A202-Y205 WeakPolarHBondContact O-CB 3.41Å; A202-Y205 PolarHBondContact O-N 3.11Å |
| 203 | A | 94.5 | Very high | 84.5 | Confident | 83 Ų | 83 | 115.8 Ų | 115.8 | 69% | 0.686 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.1 | -34.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y199 Q200 Y205 | Y199-A203 WeakPolarHBondContact O-CB 3.4Å; Y199-A203 PolarHBondContact O-N 2.9Å; Q200-A203 PolarHBondContact O-N 3.27Å; A203-Y205 VanDerWaalsContact C-N 3.32Å |
| 204 | N | 92.7 | Very high | 82.3 | Confident | 131 Ų | 131 | 116.3 Ų | 116.3 | 70% | 0.701 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -5.9 | 178.2 | -66.9 | -22 | 0 | 0 | 0 | 113.4 | Q200 A201 A202 V206 | Q200-N204 PolarHBondContact O-N 3.22Å; Q200-N204 PolarHBondContact O-ND2 3.25Å; A201-N204 PolarHBondContact O-N 3.03Å; A202-N204 VanDerWaalsContact C-N 3.29Å; A202-N204 PolarHBondContact O-N 3.22Å; N204-V206 PolarHBondContact O-N 3.12Å |
| 205 | Y | 90.3 | Very high | 80.2 | Confident | 144 Ų | 144 | 124.4 Ų | 124.4 | 57% | 0.565 | 66% | 0.664 | S | S | * | * | trans | -76.2 | 106.6 | -176.1 | -175.7 | -105.1 | 0 | 0 | 0 | 110.9 | A201 A202 A203 M207 | A201-Y205 PolarHBondContact O-N 3.39Å; A201-Y205 VanDerWaalsContact O-N 3.12Å; A202-Y205 WeakPolarHBondContact O-CB 3.41Å; A202-Y205 PolarHBondContact O-N 3.11Å; A203-Y205 VanDerWaalsContact C-N 3.32Å; Y205-M207 HydrophobicContact CD1-CG 4.22Å; Y205-M207 HydrophobicContact CE1-CB 4.41Å; Y205-M207 HydrophobicContact CE1-CG 3.6Å | ||
| 206 | V | 83.9 | Confident | 78 | Confident | 129 Ų | 129 | 131.7 Ų | 131.7 | 78% | 0.782 | 69% | 0.691 | S | S | * | * | trans | -85.4 | 113.2 | 169.2 | -177.3 | 0 | 0 | 0 | 0 | 108.1 | N204 P208 | N204-V206 PolarHBondContact O-N 3.12Å; V206-P208 WeakPolarHBondContact O-CD 3.29Å | ||
| 207 | M | 78 | Confident | 76 | Confident | 149 Ų | 149 | 134.2 Ų | 134.2 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | trans | -58.5 | 124 | 175.9 | -100.8 | -152.8 | 163 | 0 | 0 | 110 | Y205 V209 | Y205-M207 HydrophobicContact CD1-CG 4.22Å; Y205-M207 HydrophobicContact CE1-CB 4.41Å; Y205-M207 HydrophobicContact CE1-CG 3.6Å; M207-V209 PolarHBondContact O-N 3.28Å | ||
| 208 | P | 73.6 | Confident | 75 | Confident | 94 Ų | 94 | 136.1 Ų | 136.1 | 61% | 0.61 | 74% | 0.743 | S | S | * | * | trans | -64.4 | 122.5 | 174.6 | 23.9 | -30.3 | 0 | 0 | 0 | 109 | V206 R210 | V206-P208 WeakPolarHBondContact O-CD 3.29Å; P208-R210 PolarHBondContact O-N 2.81Å | ||
| 209 | V | 64.1 | Low | 73.8 | Confident | 137 Ų | 137 | 136.9 Ų | 136.9 | 83% | 0.83 | 75% | 0.752 | S | S | * | * | trans | -60.3 | 110.6 | 172.9 | -178.5 | 0 | 0 | 0 | 0 | 107.1 | M207 P211 | M207-V209 PolarHBondContact O-N 3.28Å; V209-P211 VanDerWaalsContact O-CD 3.26Å; V209-P211 WeakPolarHBondContact O-CD 3.43Å | ||
| 210 | R | 64 | Low | 72.5 | Confident | 209 Ų | 209 | 134.8 Ų | 134.8 | 79% | 0.789 | 76% | 0.756 | S | S | * | * | trans | -62.2 | 118 | 174 | -75.6 | -174 | 177.6 | -171.2 | -0.2 | 108.4 | P208 G212 | P208-R210 PolarHBondContact O-N 2.81Å; R210-G212 PolarHBondContact O-N 2.91Å; R210-G212 VanDerWaalsContact O-N 3.13Å | ||
| 211 | P | 51.1 | Low | 71.1 | Confident | 134 Ų | 134 | 135.7 Ų | 135.7 | 87% | 0.87 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 108.4 | 170.5 | 30.1 | -29.4 | 0 | 0 | 0 | 106.9 | V209 | V209-P211 VanDerWaalsContact O-CD 3.26Å; V209-P211 WeakPolarHBondContact O-CD 3.43Å |
| 212 | G | 59.5 | Low | 69.6 | Low | 69 Ų | 69 | 140.3 Ų | 140.3 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 154.6 | -9.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | R210 | R210-G212 PolarHBondContact O-N 2.91Å; R210-G212 VanDerWaalsContact O-N 3.13Å |
| 213 | F | 54.5 | Low | 67.9 | Low | 189 Ų | 189 | 145.1 Ų | 145.1 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | trans | -100.7 | 83.6 | 169.4 | -86.5 | -92.1 | 0 | 0 | 0 | 109.4 | K215 | F213-K215 PolarHBondContact O-N 2.93Š| ||
| 214 | S | 51.4 | Low | 66 | Low | 98 Ų | 98 | 149.6 Ų | 149.6 | 69% | 0.685 | 81% | 0.806 | S | S | * | * | trans | -57.9 | 122.5 | 157.3 | 71 | 0 | 0 | 0 | 0 | 106.7 | R216 | S214-R216 PolarHBondContact O-N 3.28Š| ||
| 215 | K | 53.1 | Low | 63.9 | Low | 203 Ų | 203 | 151 Ų | 151 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | trans | -53.9 | 111.5 | 160.4 | -71.8 | -177.8 | 176.8 | -177.5 | 0 | 106 | F213 A217 | F213-K215 PolarHBondContact O-N 2.93Å; K215-A217 PolarHBondContact O-N 3.2Å; K215-A217 VanDerWaalsContact O-N 3.11Å | ||
| 216 | R | 51.8 | Low | 61.7 | Low | 239 Ų | 239 | 151.6 Ų | 151.6 | 90% | 0.902 | 84% | 0.835 | S | S | * | * | trans | -64.4 | 111 | 159.9 | -76.8 | -173.9 | -177 | -176.8 | 1.2 | 104.8 | S214 | S214-R216 PolarHBondContact O-N 3.28Š| ||
| 217 | A | 55.6 | Low | 59.7 | Low | 169 Ų | 169 | 153.6 Ų | 153.6 | 100% | 1.397 | 84% | 0.84 | S | S | * | * | trans | -61.3 | 0 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | K215 | K215-A217 PolarHBondContact O-N 3.2Å; K215-A217 VanDerWaalsContact O-N 3.11Å |
Retrieved 217 of 217 residues in 46.9 ms
(Link to these results)