| 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 | 40.7 | Very low | 70.2 | Confident | 239 Ų | 239 | 88.7 Ų | 88.7 | 100% | 1.177 | 47% | 0.468 | S | S | * | . | 0 | 106.1 | 0 | -74.5 | 176.1 | 160.7 | 0 | 0 | 106.9 | P3 | M1-P3 WeakPolarHBondContact O-CD 3.48Š| |||
| 2 | I | 44.6 | Very low | 71.6 | Confident | 159 Ų | 159 | 87.7 Ų | 87.7 | 82% | 0.815 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -76.4 | 116.8 | -176.2 | -59.3 | 147 | 0 | 0 | 0 | 106.6 | S4 | I2-S4 PolarHBondContact O-N 3.02Š|
| 3 | P | 51.1 | Low | 72.8 | Confident | 89 Ų | 89 | 80.9 Ų | 80.9 | 58% | 0.578 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 116.2 | 173.8 | 24.1 | -29.9 | 0 | 0 | 0 | 106.8 | M1 T5 | M1-P3 WeakPolarHBondContact O-CD 3.48Å; P3-T5 PolarHBondContact O-N 2.83Å |
| 4 | S | 62.8 | Low | 73.8 | Confident | 73 Ų | 73 | 85.4 Ų | 85.4 | 51% | 0.51 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 129.4 | -178.4 | -47.6 | 0 | 0 | 0 | 0 | 106.4 | I2 W6 D7 | I2-S4 PolarHBondContact O-N 3.02Å; S4-W6 CarbonylContact O-C 3.54Å; S4-W6 PolarHBondContact O-N 3Å; S4-D7 WeakPolarHBondContact O-CB 3.25Å; S4-D7 PolarHBondContact O-N 3.22Å |
| 5 | T | 76.8 | Confident | 74.9 | Confident | 72 Ų | 72 | 85.8 Ų | 85.8 | 44% | 0.442 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -36.4 | -39.3 | -175.5 | 51.5 | 0 | 0 | 0 | 0 | 113.9 | P3 D7 E8 L9 F92 | P3-T5 PolarHBondContact O-N 2.83Å; T5-D7 PolarHBondContact O-N 3.37Å; T5-E8 WeakPolarHBondContact O-CB 3.49Å; T5-E8 PolarHBondContact O-N 2.83Å; T5-E8 VanDerWaalsContact O-N 3.17Å; T5-L9 WeakPolarHBondContact O-CD1 3.27Å; T5-L9 PolarHBondContact O-N 2.82Å; T5-F92 VanDerWaalsContact OG1-CE1 3.26Å; T5-F92 WeakPolarHBondContact OG1-CE1 3.49Å; T5-F92 WeakPolarHBondContact OG1-CZ 3.06Å |
| 6 | W | 77.5 | Confident | 75.7 | Confident | 13 Ų | 13 | 81.5 Ų | 81.5 | 5% | 0.049 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -52.8 | -43.7 | 173.8 | -168.8 | 86.4 | 0 | 0 | 0 | 115.6 | S4 E8 L9 R10 Q123 T126 | S4-W6 CarbonylContact O-C 3.54Å; S4-W6 PolarHBondContact O-N 3Å; W6-E8 VanDerWaalsContact C-N 3.34Å; W6-L9 PolarHBondContact O-N 2.92Å; W6-R10 WeakPolarHBondContact O-CB 3.28Å; W6-R10 PolarHBondContact O-N 3.23Å; W6-Q123 HydrophobicContact CD2-CB 4.3Å; W6-Q123 HydrophobicContact CD2-CG 3.63Å; W6-Q123 VanDerWaalsContact CE2-CG 3.48Å; W6-Q123 HydrophobicContact CE3-CG 3.93Å; W6-Q123 HydrophobicContact CG-CG 4.19Å; W6-Q123 HydrophobicContact CH2-CB 4.33Å; W6-Q123 HydrophobicContact CH2-CG 3.93Å; W6-Q123 HydrophobicContact CZ2-CB 3.71Å; W6-Q123 HydrophobicContact CZ2-CG 3.69Å; W6-Q123 HydrophobicContact CZ3-CG 4.04Å; W6-T126 HydrophobicContact CH2-CG2 3.79Å; W6-T126 HydrophobicContact CZ2-CG2 3.78Å |
| 7 | D | 79.6 | Confident | 76.5 | Confident | 51 Ų | 51 | 78 Ų | 78 | 27% | 0.273 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.7 | -37.5 | 177.2 | -77.3 | -44.2 | 0 | 0 | 0 | 111.9 | S4 T5 R10 I11 | S4-D7 WeakPolarHBondContact O-CB 3.25Å; S4-D7 PolarHBondContact O-N 3.22Å; T5-D7 PolarHBondContact O-N 3.37Å; D7-R10 PolarHBondContact O-N 3.01Å; D7-R10 IonicContact OD1-CZ 2.67Å; D7-R10 IonicContact OD1-NE 3.78Å; D7-R10 IonicContact OD1-NH2 3.24Å; D7-R10 PolarHBondContact OD1-NH2 2.95Å; D7-I11 VanDerWaalsContact O-CG1 3.29Å; D7-I11 WeakPolarHBondContact O-CG1 3.49Å; D7-I11 PolarHBondContact O-N 3.34Å |
| 8 | E | 85.3 | Confident | 77.2 | Confident | 102 Ų | 102 | 77.7 Ų | 77.7 | 48% | 0.477 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65.7 | -45.9 | 175.7 | -172.1 | 178.7 | 177.4 | 0 | 0 | 111 | T5 W6 R10 I11 Q12 | T5-E8 WeakPolarHBondContact O-CB 3.49Å; T5-E8 PolarHBondContact O-N 2.83Å; T5-E8 VanDerWaalsContact O-N 3.17Å; W6-E8 VanDerWaalsContact C-N 3.34Å; E8-R10 VanDerWaalsContact C-N 3.29Å; E8-R10 PolarHBondContact O-N 3.05Å; E8-I11 PolarHBondContact O-N 3.45Å; E8-Q12 WeakPolarHBondContact O-CG 3.33Å; E8-Q12 PolarHBondContact O-N 3.37Å |
| 9 | L | 82.7 | Confident | 77.9 | Confident | 19 Ų | 19 | 78 Ų | 78 | 10% | 0.099 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59.7 | -40.9 | 175.2 | -86.1 | 84 | 0 | 0 | 0 | 112.1 | T5 W6 I11 Q12 A13 I85 R88 M89 F92 | T5-L9 WeakPolarHBondContact O-CD1 3.27Å; T5-L9 PolarHBondContact O-N 2.82Å; W6-L9 PolarHBondContact O-N 2.92Å; L9-I11 VanDerWaalsContact C-N 3.34Å; L9-I11 PolarHBondContact O-N 2.89Å; L9-Q12 PolarHBondContact O-N 3.42Å; L9-A13 WeakPolarHBondContact O-CB 3.48Å; L9-A13 PolarHBondContact O-N 3.02Å; L9-I85 HydrophobicContact CB-CG2 4.3Å; L9-I85 WeakPolarHBondContact O-CG2 3.33Å; L9-R88 HydrophobicContact CD2-CB 3.34Å; L9-M89 HydrophobicContact CB-CG 3.63Å; L9-M89 HydrophobicContact CB-SD 4.32Å; L9-M89 HydrophobicContact CD2-CG 3.79Å; L9-M89 HydrophobicContact CG-CG 4.38Å; L9-F92 HydrophobicContact CD1-CE2 3.9Å; L9-F92 HydrophobicContact CD2-CD2 4.1Å; L9-F92 HydrophobicContact CD2-CE2 3.87Å |
| 10 | R | 83.8 | Confident | 78.4 | Confident | 63 Ų | 63 | 74.1 Ų | 74.1 | 24% | 0.238 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64 | -39.7 | 177.2 | 179.8 | 178.1 | 62.3 | 161.3 | -2.6 | 112 | W6 D7 E8 R14 M89 T126 | W6-R10 WeakPolarHBondContact O-CB 3.28Å; W6-R10 PolarHBondContact O-N 3.23Å; D7-R10 PolarHBondContact O-N 3.01Å; D7-R10 IonicContact OD1-CZ 2.67Å; D7-R10 IonicContact OD1-NE 3.78Å; D7-R10 IonicContact OD1-NH2 3.24Å; D7-R10 PolarHBondContact OD1-NH2 2.95Å; E8-R10 VanDerWaalsContact C-N 3.29Å; E8-R10 PolarHBondContact O-N 3.05Å; R10-R14 WeakPolarHBondContact O-CG 3.47Å; R10-R14 PolarHBondContact O-N 2.96Å; R10-R14 VanDerWaalsContact O-N 3.09Å; R10-M89 HydrophobicContact CB-SD 4.45Å; R10-T126 HydrophobicContact CG-CG2 4.2Å |
| 11 | I | 86.9 | Confident | 78.9 | Confident | 96 Ų | 96 | 74.8 Ų | 74.8 | 49% | 0.492 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.8 | -45.9 | 176 | -68 | 164.1 | 0 | 0 | 0 | 109.9 | D7 E8 L9 A13 R14 I15 | D7-I11 VanDerWaalsContact O-CG1 3.29Å; D7-I11 WeakPolarHBondContact O-CG1 3.49Å; D7-I11 PolarHBondContact O-N 3.34Å; E8-I11 PolarHBondContact O-N 3.45Å; L9-I11 VanDerWaalsContact C-N 3.34Å; L9-I11 PolarHBondContact O-N 2.89Å; I11-A13 VanDerWaalsContact C-N 3.33Å; I11-A13 PolarHBondContact O-N 3.06Å; I11-R14 PolarHBondContact O-N 2.98Å; I11-I15 HydrophobicContact CG2-CD1 3.89Å; I11-I15 WeakPolarHBondContact O-CG1 3.35Å; I11-I15 PolarHBondContact O-N 3.37Å |
| 12 | Q | 87.3 | Confident | 81.2 | Confident | 76 Ų | 76 | 66.9 Ų | 66.9 | 36% | 0.355 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.9 | -41.9 | 176.7 | -69.9 | -179.9 | 16 | 0 | 0 | 112.2 | E8 L9 R14 I15 L16 I85 | E8-Q12 WeakPolarHBondContact O-CG 3.33Å; E8-Q12 PolarHBondContact O-N 3.37Å; L9-Q12 PolarHBondContact O-N 3.42Å; Q12-R14 PolarHBondContact O-N 2.74Å; Q12-I15 PolarHBondContact O-N 3.46Å; Q12-L16 PolarHBondContact O-N 3.34Å; Q12-I85 HydrophobicContact CB-CD1 4.12Å |
| 13 | A | 87.1 | Confident | 83.2 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.5 | -47.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L9 I11 I15 L16 E17 L82 I85 M89 H130 | L9-A13 WeakPolarHBondContact O-CB 3.48Å; L9-A13 PolarHBondContact O-N 3.02Å; I11-A13 VanDerWaalsContact C-N 3.33Å; I11-A13 PolarHBondContact O-N 3.06Å; A13-I15 VanDerWaalsContact C-N 3.32Å; A13-I15 PolarHBondContact O-N 3.46Å; A13-L16 PolarHBondContact O-N 3.38Å; A13-E17 VanDerWaalsContact O-CG 3.23Å; A13-E17 WeakPolarHBondContact O-CG 3.01Å; A13-E17 PolarHBondContact O-N 3.11Å; A13-L82 HydrophobicContact CB-CD1 3.94Å; A13-I85 HydrophobicContact CB-CG2 3.94Å; A13-M89 HydrophobicContact CB-CE 3.75Å; A13-M89 HydrophobicContact CB-SD 4.41Å; A13-H130 VanDerWaalsContact CB-CE1 3.45Å; A13-H130 WeakPolarHBondContact CB-CE1 3.3Å |
| 14 | R | 87 | Confident | 84.9 | Confident | 144 Ų | 144 | 59 Ų | 59 | 54% | 0.543 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.4 | -37.5 | 177.5 | -74.7 | 179.1 | 177.1 | 179.7 | -1.8 | 113.5 | R10 I11 Q12 E17 S18 | R10-R14 WeakPolarHBondContact O-CG 3.47Å; R10-R14 PolarHBondContact O-N 2.96Å; R10-R14 VanDerWaalsContact O-N 3.09Å; I11-R14 PolarHBondContact O-N 2.98Å; Q12-R14 PolarHBondContact O-N 2.74Å; R14-E17 PolarHBondContact O-N 2.98Å; R14-S18 PolarHBondContact O-N 2.84Å; R14-S18 VanDerWaalsContact O-N 3.11Å |
| 15 | I | 89.9 | Confident | 86 | Confident | 91 Ų | 91 | 58 Ų | 58 | 47% | 0.467 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.3 | -49.7 | 176.8 | -67.9 | 166.2 | 0 | 0 | 0 | 109.6 | I11 Q12 A13 E17 S18 E19 | I11-I15 HydrophobicContact CG2-CD1 3.89Å; I11-I15 WeakPolarHBondContact O-CG1 3.35Å; I11-I15 PolarHBondContact O-N 3.37Å; Q12-I15 PolarHBondContact O-N 3.46Å; A13-I15 VanDerWaalsContact C-N 3.32Å; A13-I15 PolarHBondContact O-N 3.46Å; I15-E17 VanDerWaalsContact C-N 3.32Å; I15-E17 PolarHBondContact O-N 3.48Å; I15-S18 PolarHBondContact O-N 3.04Å; I15-E19 WeakPolarHBondContact O-CG 3.18Å; I15-E19 PolarHBondContact O-N 2.63Å |
| 16 | L | 88.3 | Confident | 86.3 | Confident | 17 Ų | 17 | 56.7 Ų | 56.7 | 9% | 0.089 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.6 | -38.9 | 177.2 | -73.7 | 175.4 | 0 | 0 | 0 | 112.7 | Q12 A13 S18 E19 I20 Q78 R81 L82 I85 | Q12-L16 PolarHBondContact O-N 3.34Å; A13-L16 PolarHBondContact O-N 3.38Å; L16-S18 VanDerWaalsContact C-N 3.34Å; L16-S18 PolarHBondContact O-N 3.02Å; L16-E19 PolarHBondContact O-N 3.3Å; L16-I20 WeakPolarHBondContact O-CB 3.48Å; L16-I20 WeakPolarHBondContact O-CD1 3.38Å; L16-I20 WeakPolarHBondContact O-CG1 3.44Å; L16-I20 PolarHBondContact O-N 3.3Å; L16-Q78 HydrophobicContact CD2-CG 4.49Å; L16-R81 HydrophobicContact CD1-CB 3.93Å; L16-L82 HydrophobicContact CB-CD1 4.39Å; L16-L82 HydrophobicContact CD1-CB 4.32Å; L16-I85 HydrophobicContact CD1-CD1 3.33Å |
| 17 | E | 88.7 | Confident | 86.5 | Confident | 22 Ų | 22 | 56 Ų | 56 | 10% | 0.103 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.5 | -45.3 | 174.6 | -71.4 | 174.3 | 166.8 | 0 | 0 | 111.6 | A13 R14 I15 E19 I20 D21 L82 H130 I133 Y137 | A13-E17 VanDerWaalsContact O-CG 3.23Å; A13-E17 WeakPolarHBondContact O-CG 3.01Å; A13-E17 PolarHBondContact O-N 3.11Å; R14-E17 PolarHBondContact O-N 2.98Å; I15-E17 VanDerWaalsContact C-N 3.32Å; I15-E17 PolarHBondContact O-N 3.48Å; E17-E19 VanDerWaalsContact C-N 3.34Å; E17-E19 PolarHBondContact O-N 3.24Å; E17-I20 PolarHBondContact O-N 3.39Å; E17-D21 WeakPolarHBondContact O-CB 3.17Å; E17-D21 PolarHBondContact O-N 3.2Å; E17-L82 HydrophobicContact CG-CD1 4.31Å; E17-L82 HydrophobicContact CG-CD2 4.05Å; E17-H130 IonicContact OE1-CE1 3.66Å; E17-H130 PolarHBondContact OE1-CE1 3.24Å; E17-H130 IonicContact OE1-CG 2.68Å; E17-H130 IonicContact OE1-ND1 3.37Å; E17-H130 PolarHBondContact OE1-ND1 2.93Å; E17-H130 IonicContact OE2-CE1 3.33Å; E17-H130 IonicContact OE2-ND1 2.66Å; E17-I133 HydrophobicContact CG-CG2 4.01Å; E17-I133 WeakPolarHBondContact OE1-CG2 3.49Å; E17-Y137 HydrophobicContact CB-CE2 3.96Å; E17-Y137 HydrophobicContact CG-CE2 3.94Å; E17-Y137 PolarHBondContact O-OH 3.19Å |
| 18 | S | 89.3 | Confident | 86.6 | Confident | 73 Ų | 73 | 54.9 Ų | 54.9 | 51% | 0.51 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.5 | -35.8 | 176.9 | -172.7 | 0 | 0 | 0 | 0 | 112.9 | R14 I15 L16 S22 | R14-S18 PolarHBondContact O-N 2.84Å; R14-S18 VanDerWaalsContact O-N 3.11Å; I15-S18 PolarHBondContact O-N 3.04Å; L16-S18 VanDerWaalsContact C-N 3.34Å; L16-S18 PolarHBondContact O-N 3.02Å; S18-S22 PolarHBondContact O-N 3.23Å; S18-S22 VanDerWaalsContact O-N 3.17Å; S18-S22 PolarHBondContact O-OG 2.97Å |
| 19 | E | 89.9 | Confident | 86.3 | Confident | 83 Ų | 83 | 56.6 Ų | 56.6 | 39% | 0.388 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -69.4 | -43.8 | 176.1 | -70.2 | -178.6 | -178.5 | 0 | 0 | 111.7 | I15 L16 E17 D21 S22 K23 Q78 | I15-E19 WeakPolarHBondContact O-CG 3.18Å; I15-E19 PolarHBondContact O-N 2.63Å; L16-E19 PolarHBondContact O-N 3.3Å; E17-E19 VanDerWaalsContact C-N 3.34Å; E17-E19 PolarHBondContact O-N 3.24Å; E19-D21 VanDerWaalsContact C-N 3.33Å; E19-D21 PolarHBondContact O-N 2.67Å; E19-S22 PolarHBondContact O-N 3.47Å; E19-K23 WeakPolarHBondContact O-CB 3.32Å; E19-K23 WeakPolarHBondContact O-CG 3.36Å; E19-K23 PolarHBondContact O-N 2.87Å; E19-Q78 PolarHBondContact OE2-NE2 3.43Å |
| 20 | I | 89.7 | Confident | 85.8 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 177.4 | -69.3 | 162.4 | 0 | 0 | 0 | 110.1 | L16 E17 K23 L24 Q78 L79 L82 Y137 | L16-I20 WeakPolarHBondContact O-CB 3.48Å; L16-I20 WeakPolarHBondContact O-CD1 3.38Å; L16-I20 WeakPolarHBondContact O-CG1 3.44Å; L16-I20 PolarHBondContact O-N 3.3Å; E17-I20 PolarHBondContact O-N 3.39Å; I20-K23 PolarHBondContact O-N 3.07Å; I20-L24 HydrophobicContact CG2-CD1 3.73Å; I20-L24 HydrophobicContact CG2-CG 4.18Å; I20-L24 VanDerWaalsContact O-CB 3.32Å; I20-L24 WeakPolarHBondContact O-CB 3.43Å; I20-L24 VanDerWaalsContact O-CG 3.31Å; I20-L24 WeakPolarHBondContact O-CG 3.49Å; I20-L24 PolarHBondContact O-N 3.44Å; I20-Q78 HydrophobicContact CD1-CB 4.12Å; I20-Q78 HydrophobicContact CG1-CB 3.7Å; I20-L79 HydrophobicContact CD1-CD2 4.18Å; I20-L82 HydrophobicContact CD1-CB 4.34Å; I20-L82 HydrophobicContact CD1-CD2 3.82Å; I20-Y137 HydrophobicContact CG2-CD1 3.81Å; I20-Y137 HydrophobicContact CG2-CD2 4.2Å; I20-Y137 HydrophobicContact CG2-CE1 4.34Å; I20-Y137 HydrophobicContact CG2-CG 3.75Å |
| 21 | D | 88.7 | Confident | 84.7 | Confident | 89 Ų | 89 | 55.2 Ų | 55.2 | 48% | 0.476 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.1 | -47.7 | 176.8 | -170.9 | 66.1 | 0 | 0 | 0 | 111.8 | E17 E19 K23 L24 A25 Y137 | E17-D21 WeakPolarHBondContact O-CB 3.17Å; E17-D21 PolarHBondContact O-N 3.2Å; E19-D21 VanDerWaalsContact C-N 3.33Å; E19-D21 PolarHBondContact O-N 2.67Å; D21-K23 VanDerWaalsContact C-N 3.35Å; D21-K23 PolarHBondContact O-N 2.86Å; D21-L24 PolarHBondContact O-N 3.32Å; D21-A25 WeakPolarHBondContact O-CB 3.46Å; D21-A25 PolarHBondContact O-N 2.88Å; D21-Y137 HydrophobicContact CB-CE1 4.28Å |
| 22 | S | 88.3 | Confident | 83.5 | Confident | 73 Ų | 73 | 55.4 Ų | 55.4 | 51% | 0.51 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 177.8 | -59.7 | 0 | 0 | 0 | 0 | 112 | S18 E19 A26 | S18-S22 PolarHBondContact O-N 3.23Å; S18-S22 VanDerWaalsContact O-N 3.17Å; S18-S22 PolarHBondContact O-OG 2.97Å; E19-S22 PolarHBondContact O-N 3.47Å; S22-A26 PolarHBondContact O-N 3.27Å |
| 23 | K | 87.2 | Confident | 82.1 | Confident | 64 Ų | 64 | 61.3 Ų | 61.3 | 28% | 0.278 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -72 | -37.3 | 177.8 | -72.6 | -168 | -167.4 | -81.5 | 0 | 112.5 | E19 I20 D21 A25 A26 F27 E74 I75 Q78 | E19-K23 WeakPolarHBondContact O-CB 3.32Å; E19-K23 WeakPolarHBondContact O-CG 3.36Å; E19-K23 PolarHBondContact O-N 2.87Å; I20-K23 PolarHBondContact O-N 3.07Å; D21-K23 VanDerWaalsContact C-N 3.35Å; D21-K23 PolarHBondContact O-N 2.86Å; K23-A25 VanDerWaalsContact C-N 3.33Å; K23-A26 PolarHBondContact O-N 3.48Å; K23-F27 WeakPolarHBondContact O-CB 3.49Å; K23-F27 PolarHBondContact O-N 2.91Å; K23-E74 HydrophobicContact CD-CB 4.3Å; K23-E74 IonicContact NZ-OE2 2.73Å; K23-E74 PolarHBondContact NZ-OE2 3.49Å; K23-I75 HydrophobicContact CB-CD1 4.2Å; K23-I75 HydrophobicContact CB-CG1 3.88Å; K23-I75 HydrophobicContact CD-CG1 4.35Å; K23-Q78 VanDerWaalsContact CD-OE1 3.31Å |
| 24 | L | 86.3 | Confident | 80.3 | Confident | 19 Ų | 19 | 66.7 Ų | 66.7 | 10% | 0.099 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 173.5 | -79.2 | 172.1 | 0 | 0 | 0 | 111.3 | I20 D21 A26 F27 G28 I75 Y137 E140 F141 | I20-L24 HydrophobicContact CG2-CD1 3.73Å; I20-L24 HydrophobicContact CG2-CG 4.18Å; I20-L24 VanDerWaalsContact O-CB 3.32Å; I20-L24 WeakPolarHBondContact O-CB 3.43Å; I20-L24 VanDerWaalsContact O-CG 3.31Å; I20-L24 WeakPolarHBondContact O-CG 3.49Å; I20-L24 PolarHBondContact O-N 3.44Å; D21-L24 PolarHBondContact O-N 3.32Å; L24-A26 VanDerWaalsContact C-N 3.34Å; L24-A26 PolarHBondContact O-N 3.39Å; L24-F27 PolarHBondContact O-N 3Å; L24-G28 PolarHBondContact O-N 3.44Å; L24-I75 HydrophobicContact CD2-CD1 4.21Å; L24-I75 HydrophobicContact CD2-CG2 4.45Å; L24-Y137 HydrophobicContact CD1-CD1 3.66Å; L24-Y137 HydrophobicContact CD1-CE1 4.4Å; L24-Y137 HydrophobicContact CD1-CG 4.47Å; L24-E140 HydrophobicContact CD1-CB 4.38Å; L24-F141 HydrophobicContact CD2-CB 3.84Å; L24-F141 HydrophobicContact CD2-CD2 3.94Å; L24-F141 HydrophobicContact CD2-CG 4.39Å |
| 25 | A | 85.6 | Confident | 78.6 | Confident | 52 Ų | 52 | 63.4 Ų | 63.4 | 43% | 0.43 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63 | -39.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | D21 K23 K29 | D21-A25 WeakPolarHBondContact O-CB 3.46Å; D21-A25 PolarHBondContact O-N 2.88Å; K23-A25 VanDerWaalsContact C-N 3.33Å; A25-K29 WeakPolarHBondContact O-CD 3.48Å; A25-K29 VanDerWaalsContact O-CG 3.27Å; A25-K29 WeakPolarHBondContact O-CG 3.43Å; A25-K29 PolarHBondContact O-N 3.44Å |
| 26 | A | 83.3 | Confident | 76.2 | Confident | 43 Ų | 43 | 67.2 Ų | 67.2 | 36% | 0.355 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68 | -43.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | S22 K23 L24 G28 K29 I30 | S22-A26 PolarHBondContact O-N 3.27Å; K23-A26 PolarHBondContact O-N 3.48Å; L24-A26 VanDerWaalsContact C-N 3.34Å; L24-A26 PolarHBondContact O-N 3.39Å; A26-G28 PolarHBondContact O-N 3.18Å; A26-K29 WeakPolarHBondContact O-CB 3.48Å; A26-K29 PolarHBondContact O-N 3.19Å; A26-I30 PolarHBondContact O-N 2.98Å |
| 27 | F | 82.5 | Confident | 74.1 | Confident | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.1 | -43.5 | -179.3 | -174 | -106.7 | 0 | 0 | 0 | 112 | K23 L24 K29 I30 F68 M71 C72 I75 F141 T144 K145 L148 | K23-F27 WeakPolarHBondContact O-CB 3.49Å; K23-F27 PolarHBondContact O-N 2.91Å; L24-F27 PolarHBondContact O-N 3Å; F27-K29 VanDerWaalsContact C-N 3.25Å; F27-K29 PolarHBondContact O-N 3.48Å; F27-I30 HydrophobicContact CD2-CD1 3.84Å; F27-I30 HydrophobicContact CE2-CD1 4.48Å; F27-I30 PolarHBondContact O-N 2.91Å; F27-F68 HydrophobicContact CE1-CE2 4.39Å; F27-F68 AromaticContact CE2-CD2 3.68Å; F27-F68 HydrophobicContact CE2-CD2 3.68Å; F27-F68 AromaticContact CE2-CE2 3.84Å; F27-F68 HydrophobicContact CE2-CE2 3.84Å; F27-F68 HydrophobicContact CE2-CG 4.48Å; F27-F68 AromaticContact CZ-CD2 3.76Å; F27-F68 HydrophobicContact CZ-CD2 3.76Å; F27-F68 AromaticContact CZ-CE2 3.39Å; F27-F68 HydrophobicContact CZ-CE2 3.39Å; F27-F68 HydrophobicContact CZ-CZ 4.18Å; F27-M71 HydrophobicContact CD2-CB 3.75Å; F27-M71 HydrophobicContact CE2-CB 4.3Å; F27-C72 WeakPolarHBondContact CE2-SG 3.4Å; F27-C72 WeakPolarHBondContact CZ-SG 3.3Å; F27-I75 HydrophobicContact CB-CD1 3.81Å; F27-I75 HydrophobicContact CD1-CD1 4.45Å; F27-I75 HydrophobicContact CD2-CD1 4.2Å; F27-I75 HydrophobicContact CG-CD1 3.92Å; F27-F141 HydrophobicContact CD1-CD2 4.45Å; F27-F141 HydrophobicContact CD1-CE2 4.41Å; F27-F141 HydrophobicContact CE1-CD2 4.27Å; F27-F141 HydrophobicContact CE1-CE2 4.01Å; F27-F141 HydrophobicContact CZ-CE2 4.06Å; F27-T144 HydrophobicContact CD1-CG2 3.67Å; F27-T144 HydrophobicContact CE1-CG2 4.09Å; F27-K145 HydrophobicContact CE1-CB 4.11Å; F27-K145 HydrophobicContact CZ-CB 4.32Å; F27-K145 HydrophobicContact CZ-CG 4.44Å; F27-L148 HydrophobicContact CD1-CD2 4.39Å; F27-L148 HydrophobicContact CD2-CD2 4.48Å; F27-L148 HydrophobicContact CE1-CD2 4.02Å; F27-L148 HydrophobicContact CE2-CD2 4.12Å; F27-L148 HydrophobicContact CZ-CD2 3.88Å |
| 28 | G | 80.3 | Confident | 71.8 | Confident | 26 Ų | 26 | 80 Ų | 80 | 27% | 0.268 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.3 | -33.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113 | L24 A26 I30 | L24-G28 PolarHBondContact O-N 3.44Å; A26-G28 PolarHBondContact O-N 3.18Å; G28-I30 PolarHBondContact O-N 3.09Å |
| 29 | K | 80.4 | Confident | 69.4 | Low | 139 Ų | 139 | 84.6 Ų | 84.6 | 60% | 0.604 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -69.1 | -29.8 | 178.6 | -70.5 | 167.9 | -173.3 | 179.1 | 0 | 113 | A25 A26 F27 G31 T32 R33 | A25-K29 WeakPolarHBondContact O-CD 3.48Å; A25-K29 VanDerWaalsContact O-CG 3.27Å; A25-K29 WeakPolarHBondContact O-CG 3.43Å; A25-K29 PolarHBondContact O-N 3.44Å; A26-K29 WeakPolarHBondContact O-CB 3.48Å; A26-K29 PolarHBondContact O-N 3.19Å; F27-K29 VanDerWaalsContact C-N 3.25Å; F27-K29 PolarHBondContact O-N 3.48Å; K29-G31 VanDerWaalsContact C-N 3.3Å; K29-G31 PolarHBondContact O-N 2.74Å; K29-T32 PolarHBondContact O-N 3.3Å; K29-T32 PolarHBondContact O-OG1 3.47Å; K29-R33 WeakPolarHBondContact O-CG 3.35Å; K29-R33 PolarHBondContact O-N 3.27Å |
| 30 | I | 70.9 | Confident | 67.2 | Low | 24 Ų | 24 | 84.6 Ų | 84.6 | 12% | 0.123 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -57.7 | -41.8 | -173.9 | -53.4 | 163.5 | 0 | 0 | 0 | 111.4 | A26 F27 G28 F64 M71 L148 | A26-I30 PolarHBondContact O-N 2.98Å; F27-I30 HydrophobicContact CD2-CD1 3.84Å; F27-I30 HydrophobicContact CE2-CD1 4.48Å; F27-I30 PolarHBondContact O-N 2.91Å; G28-I30 PolarHBondContact O-N 3.09Å; I30-F64 HydrophobicContact CG2-CD2 3.67Å; I30-F64 HydrophobicContact CG2-CE2 3.62Å; I30-M71 HydrophobicContact CD1-CB 4.41Å; I30-M71 HydrophobicContact CD1-CE 3.13Å; I30-M71 HydrophobicContact CD1-CG 4.45Å; I30-M71 HydrophobicContact CD1-SD 3.45Å; I30-M71 WeakPolarHBondContact CD1-SD 3.35Å; I30-M71 HydrophobicContact CG1-CE 3.67Å; I30-M71 HydrophobicContact CG1-SD 4.14Å; I30-L148 HydrophobicContact CB-CD2 4.45Å |
| 31 | G | 61.7 | Low | 64.8 | Low | 28 Ų | 28 | 89.7 Ų | 89.7 | 29% | 0.289 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 6.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | K29 R33 L148 | K29-G31 VanDerWaalsContact C-N 3.3Å; K29-G31 PolarHBondContact O-N 2.74Å; G31-R33 VanDerWaalsContact C-N 3.34Å; G31-L148 VanDerWaalsContact N-CD1 3.34Å |
| 32 | T | 60.9 | Low | 62.3 | Low | 101 Ų | 101 | 94.7 Ų | 94.7 | 62% | 0.62 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | 0.1 | 159.6 | 64.4 | 0 | 0 | 0 | 0 | 111.8 | K29 P34 | K29-T32 PolarHBondContact O-N 3.3Å; K29-T32 PolarHBondContact O-OG1 3.47Å; T32-P34 WeakPolarHBondContact O-CD 3.43Å |
| 33 | R | 57.2 | Low | 60.1 | Low | 199 Ų | 199 | 100.7 Ų | 100.7 | 75% | 0.751 | 51% | 0.509 | S | S | * | . | trans | -56.1 | 107.7 | 171.4 | -70.1 | -175.3 | 77.3 | 171.2 | 1.4 | 107 | K29 G31 V35 | K29-R33 WeakPolarHBondContact O-CG 3.35Å; K29-R33 PolarHBondContact O-N 3.27Å; G31-R33 VanDerWaalsContact C-N 3.34Å; R33-V35 PolarHBondContact O-N 3.32Å; R33-V35 VanDerWaalsContact O-N 3.15Å | ||
| 34 | P | 49.6 | Very low | 58.2 | Low | 113 Ų | 113 | 103 Ų | 103 | 73% | 0.734 | 53% | 0.529 | S | S | * | . | trans | -62.7 | 124.9 | 175.9 | -12.4 | 28.4 | 0 | 0 | 0 | 104.9 | T32 E36 | T32-P34 WeakPolarHBondContact O-CD 3.43Å; P34-E36 PolarHBondContact O-N 3.24Å | ||
| 35 | V | 51.1 | Low | 56 | Low | 75 Ų | 75 | 110 Ų | 110 | 46% | 0.455 | 57% | 0.566 | S | S | . | * | trans | -63.3 | 96.5 | 160.3 | -169.4 | 0 | 0 | 0 | 0 | 104.2 | R33 H37 | R33-V35 PolarHBondContact O-N 3.32Å; R33-V35 VanDerWaalsContact O-N 3.15Å; V35-H37 WeakPolarHBondContact CG1-CE1 3.38Å; V35-H37 VanDerWaalsContact CG1-ND1 3.25Å; V35-H37 WeakPolarHBondContact CG1-ND1 3.37Å; V35-H37 PolarHBondContact O-N 3.33Å; V35-H37 PolarHBondContact O-ND1 2.81Å | ||
| 36 | E | 39.1 | Very low | 54 | Low | 172 Ų | 172 | 113.3 Ų | 113.3 | 80% | 0.804 | 59% | 0.587 | S | S | * | * | trans | -65.6 | 77.8 | 175.5 | -167.8 | -179.7 | 174.5 | 0 | 0 | 107 | P34 K38 | P34-E36 PolarHBondContact O-N 3.24Å; E36-K38 PolarHBondContact O-N 2.95Å | ||
| 37 | H | 44.6 | Very low | 52 | Low | 142 Ų | 142 | 114.5 Ų | 114.5 | 66% | 0.657 | 60% | 0.603 | S | S | * | * | trans | -69.9 | 84 | 166.6 | -76.3 | 85.6 | 0 | 0 | 0 | 106.2 | V35 H39 | V35-H37 WeakPolarHBondContact CG1-CE1 3.38Å; V35-H37 VanDerWaalsContact CG1-ND1 3.25Å; V35-H37 WeakPolarHBondContact CG1-ND1 3.37Å; V35-H37 PolarHBondContact O-N 3.33Å; V35-H37 PolarHBondContact O-ND1 2.81Å; H37-H39 PolarHBondContact O-N 3.44Å | ||
| 38 | K | 40.2 | Very low | 50 | Low | 165 Ų | 165 | 122.4 Ų | 122.4 | 72% | 0.717 | 64% | 0.643 | S | S | * | * | trans | -69.3 | 64.6 | 160.9 | -169 | 179.7 | 179.8 | 179.3 | 0 | 108.5 | E36 I40 | E36-K38 PolarHBondContact O-N 2.95Å; K38-I40 HydrophobicContact CG-CD1 4.31Å; K38-I40 HydrophobicContact CG-CG1 4.21Å | ||
| 39 | H | 40.4 | Very low | 48.6 | Very low | 170 Ų | 170 | 128.5 Ų | 128.5 | 79% | 0.787 | 67% | 0.668 | S | S | * | * | trans | -101.5 | 83.9 | 163.1 | -136.6 | -87.7 | 0 | 0 | 0 | 107.2 | H37 P41 | H37-H39 PolarHBondContact O-N 3.44Å; H39-P41 WeakPolarHBondContact O-CD 3.09Å | ||
| 40 | I | 42.5 | Very low | 46.6 | Very low | 82 Ų | 82 | 127.4 Ų | 127.4 | 42% | 0.421 | 68% | 0.678 | S | S | . | * | trans | -58.7 | 122.1 | 169.1 | -58.1 | 162.8 | 0 | 0 | 0 | 106.7 | K38 R42 | K38-I40 HydrophobicContact CG-CD1 4.31Å; K38-I40 HydrophobicContact CG-CG1 4.21Å; I40-R42 HydrophobicContact CG2-CB 4.21Å; I40-R42 HydrophobicContact CG2-CG 3.71Å; I40-R42 PolarHBondContact O-N 3.09Å | ||
| 41 | P | 40.4 | Very low | 45.5 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 70% | 0.695 | 71% | 0.711 | S | S | * | * | trans | -76.8 | 83.8 | 169.2 | 31.8 | -28.6 | 0 | 0 | 0 | 107 | H39 F43 | H39-P41 WeakPolarHBondContact O-CD 3.09Å; P41-F43 VanDerWaalsContact C-N 3.33Å; P41-F43 HydrophobicContact CB-CD2 4.45Å; P41-F43 HydrophobicContact CB-CE2 4.42Å; P41-F43 PolarHBondContact O-N 3.04Å | ||
| 42 | R | 35.1 | Very low | 44.4 | Very low | 194 Ų | 194 | 138.5 Ų | 138.5 | 73% | 0.732 | 73% | 0.73 | S | S | * | * | trans | -86.2 | 81.4 | 173.7 | -106.2 | 172.5 | 178.5 | 149.4 | 0.1 | 109 | I40 T44 | I40-R42 HydrophobicContact CG2-CB 4.21Å; I40-R42 HydrophobicContact CG2-CG 3.71Å; I40-R42 PolarHBondContact O-N 3.09Å; R42-T44 PolarHBondContact O-N 3.27Å | ||
| 43 | F | 43.6 | Very low | 43.2 | Very low | 199 Ų | 199 | 141.3 Ų | 141.3 | 87% | 0.873 | 74% | 0.741 | S | S | * | * | trans | -71 | 75.1 | 156.3 | -71.1 | -81.3 | 0 | 0 | 0 | 108.8 | P41 | P41-F43 VanDerWaalsContact C-N 3.33Å; P41-F43 HydrophobicContact CB-CD2 4.45Å; P41-F43 HydrophobicContact CB-CE2 4.42Å; P41-F43 PolarHBondContact O-N 3.04Å | ||
| 44 | T | 46.2 | Very low | 42.5 | Very low | 112 Ų | 112 | 136.3 Ų | 136.3 | 69% | 0.687 | 74% | 0.742 | S | S | * | * | trans | -144.5 | 109.7 | 164 | 57.1 | 0 | 0 | 0 | 0 | 109 | R42 | R42-T44 PolarHBondContact O-N 3.27Š| ||
| 45 | N | 40.3 | Very low | 42.5 | Very low | 167 Ų | 167 | 138.4 Ų | 138.4 | 89% | 0.893 | 75% | 0.745 | S | S | * | * | trans | -55.7 | 149.7 | 172.2 | -153.9 | 13.2 | 0 | 0 | 0 | 111.1 | ||||
| 46 | S | 43.9 | Very low | 42.3 | Very low | 122 Ų | 122 | 140.5 Ų | 140.5 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | trans | 92.8 | 128.7 | 167.6 | -157.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 47 | G | 40.5 | Very low | 42.5 | Very low | 67 Ų | 67 | 140.8 Ų | 140.8 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | trans | 118.5 | 80.7 | 151.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | I49 | G47-I49 PolarHBondContact O-N 2.93Š| ||
| 48 | I | 41.4 | Very low | 42.7 | Very low | 167 Ų | 167 | 140 Ų | 140 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | trans | -14.4 | 122.4 | 145.1 | -58.1 | 167 | 0 | 0 | 0 | 112.9 | ||||
| 49 | I | 50.3 | Low | 43.2 | Very low | 153 Ų | 153 | 137.4 Ų | 137.4 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | -171.5 | 113.9 | 139.8 | -86.6 | 141.1 | 0 | 0 | 0 | 108.3 | G47 | G47-I49 PolarHBondContact O-N 2.93Š| ||
| 50 | S | 38.8 | Very low | 43.7 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 81% | 0.811 | 74% | 0.743 | S | S | * | * | trans | -64.4 | 131.3 | 163.8 | -54.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 51 | K | 47.3 | Very low | 44.3 | Very low | 189 Ų | 189 | 131.1 Ų | 131.1 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | trans | -164.8 | 100.2 | 152 | -105.2 | 165.3 | -168.9 | -175.3 | 0 | 110.1 | ||||
| 52 | S | 39.4 | Very low | 45.3 | Very low | 97 Ų | 97 | 130.6 Ų | 130.6 | 68% | 0.678 | 74% | 0.737 | S | S | * | * | trans | 32.3 | 129.5 | 134.4 | 60.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 53 | N | 35.4 | Very low | 46.8 | Very low | 160 Ų | 160 | 125.5 Ų | 125.5 | 86% | 0.856 | 73% | 0.725 | S | S | * | * | trans | 67.1 | 92.7 | 145.7 | -67 | 13.1 | 0 | 0 | 0 | 117.4 | ||||
| 54 | A | 42.2 | Very low | 48.3 | Very low | 93 Ų | 93 | 117.5 Ų | 117.5 | 77% | 0.769 | 69% | 0.689 | S | S | * | * | trans | 170.8 | 83.8 | 130.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | P56 | A54-P56 VanDerWaalsContact O-CD 3.29Å; A54-P56 WeakPolarHBondContact O-CD 3.44Å | ||
| 55 | I | 49 | Very low | 49.7 | Very low | 157 Ų | 157 | 115.8 Ų | 115.8 | 81% | 0.805 | 68% | 0.676 | S | S | * | * | trans | -71.1 | 116.1 | 156.4 | -56.8 | 171 | 0 | 0 | 0 | 103.9 | E57 | I55-E57 PolarHBondContact O-N 3.34Š| ||
| 56 | P | 47.5 | Very low | 51.7 | Low | 119 Ų | 119 | 111.1 Ų | 111.1 | 77% | 0.773 | 65% | 0.654 | S | S | * | * | trans | -66.2 | 106.2 | 167.3 | -7.2 | 24.2 | 0 | 0 | 0 | 105.3 | A54 V58 | A54-P56 VanDerWaalsContact O-CD 3.29Å; A54-P56 WeakPolarHBondContact O-CD 3.44Å; P56-V58 PolarHBondContact O-N 3.34Å | ||
| 57 | E | 42.6 | Very low | 53.4 | Low | 179 Ų | 179 | 109.1 Ų | 109.1 | 84% | 0.836 | 63% | 0.633 | S | S | * | * | trans | -51.9 | 128.7 | 175 | -61.4 | -166.3 | 172.6 | 0 | 0 | 108.8 | I55 P59 | I55-E57 PolarHBondContact O-N 3.34Å; E57-P59 WeakPolarHBondContact O-CD 3.23Å; E57-P59 VanDerWaalsContact O-N 3.12Å | ||
| 58 | V | 50.7 | Low | 55.4 | Low | 125 Ų | 125 | 107.3 Ų | 107.3 | 76% | 0.758 | 61% | 0.607 | S | S | * | * | trans | -45.8 | 117.1 | 174.5 | 177 | 0 | 0 | 0 | 0 | 107.8 | P56 S60 | P56-V58 PolarHBondContact O-N 3.34Å; V58-S60 PolarHBondContact O-N 3.47Å | ||
| 59 | P | 49.8 | Very low | 57.5 | Low | 111 Ų | 111 | 102.1 Ų | 102.1 | 72% | 0.721 | 59% | 0.585 | S | S | * | * | trans | -57.2 | 116.9 | 173.9 | -16.9 | 28.3 | 0 | 0 | 0 | 106.6 | E57 N61 | E57-P59 WeakPolarHBondContact O-CD 3.23Å; E57-P59 VanDerWaalsContact O-N 3.12Å; P59-N61 PolarHBondContact O-N 2.83Å | ||
| 60 | S | 51.7 | Low | 59.2 | Low | 40 Ų | 40 | 98.2 Ų | 98.2 | 28% | 0.28 | 57% | 0.568 | S | S | . | * | trans | -62.5 | 135.9 | -161.7 | 80.7 | 0 | 0 | 0 | 0 | 109.5 | V58 V62 D63 | V58-S60 PolarHBondContact O-N 3.47Å; S60-V62 PolarHBondContact O-N 3.14Å; S60-D63 PolarHBondContact O-N 3.41Å; S60-D63 PolarHBondContact OG-N 2.9Å; S60-D63 PolarHBondContact OG-OD1 3.36Å; S60-D63 PolarHBondContact OG-OD2 3.25Å | ||
| 61 | N | 55 | Low | 61.3 | Low | 80 Ų | 80 | 94.9 Ų | 94.9 | 43% | 0.428 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -50.8 | -29.4 | 175.5 | -167.6 | -45.1 | 0 | 0 | 0 | 111.1 | P59 D65 R152 | P59-N61 PolarHBondContact O-N 2.83Å; N61-D65 PolarHBondContact O-N 3.01Å; N61-D65 PolarHBondContact OD1-OD2 3.39Å; N61-R152 VanDerWaalsContact CA-NH2 3.29Å; N61-R152 PolarHBondContact ND2-NH2 2.81Å; N61-R152 PolarHBondContact O-NH2 3.27Å; N61-R152 PolarHBondContact OD1-NH2 3.44Å |
| 62 | V | 59.9 | Low | 63.2 | Low | 96 Ų | 96 | 86.1 Ų | 86.1 | 58% | 0.582 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.9 | -36 | 178.5 | -137.1 | 0 | 0 | 0 | 0 | 113.8 | S60 F64 T66 | S60-V62 PolarHBondContact O-N 3.14Å; V62-F64 VanDerWaalsContact C-N 3.34Å; V62-F64 PolarHBondContact O-N 2.73Å; V62-T66 WeakPolarHBondContact O-CB 3.49Å; V62-T66 VanDerWaalsContact O-CG2 3.26Å; V62-T66 WeakPolarHBondContact O-CG2 3.47Å; V62-T66 PolarHBondContact O-N 3.35Å; V62-T66 PolarHBondContact O-OG1 3.44Å |
| 63 | D | 67.8 | Low | 65.6 | Low | 86 Ų | 86 | 85.9 Ų | 85.9 | 46% | 0.46 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.7 | -35.7 | 179.8 | -66.1 | -42.6 | 0 | 0 | 0 | 111.4 | S60 T66 N67 | S60-D63 PolarHBondContact O-N 3.41Å; S60-D63 PolarHBondContact OG-N 2.9Å; S60-D63 PolarHBondContact OG-OD1 3.36Å; S60-D63 PolarHBondContact OG-OD2 3.25Å; D63-T66 WeakPolarHBondContact CA-OG1 3.1Å; D63-T66 PolarHBondContact O-OG1 3.1Å; D63-N67 WeakPolarHBondContact O-CB 3.21Å; D63-N67 PolarHBondContact O-N 3.36Å; D63-N67 VanDerWaalsContact O-N 3.09Å; D63-N67 PolarHBondContact O-ND2 3.11Å |
| 64 | F | 73.6 | Confident | 68.1 | Low | 31 Ų | 31 | 81.5 Ų | 81.5 | 14% | 0.136 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -67.4 | -51 | 176.9 | 178.5 | -89.7 | 0 | 0 | 0 | 110.8 | I30 V62 T66 N67 F68 L148 R152 | I30-F64 HydrophobicContact CG2-CD2 3.67Å; I30-F64 HydrophobicContact CG2-CE2 3.62Å; V62-F64 VanDerWaalsContact C-N 3.34Å; V62-F64 PolarHBondContact O-N 2.73Å; F64-T66 VanDerWaalsContact C-N 3.34Å; F64-T66 PolarHBondContact O-N 3.44Å; F64-N67 PolarHBondContact O-N 3.47Å; F64-F68 HydrophobicContact CD1-CB 4.45Å; F64-F68 HydrophobicContact CE1-CB 4.26Å; F64-F68 HydrophobicContact CE1-CD2 4.47Å; F64-F68 HydrophobicContact CE1-CG 4.41Å; F64-F68 HydrophobicContact CZ-CD2 4.41Å; F64-F68 WeakPolarHBondContact O-CB 3.31Å; F64-F68 PolarHBondContact O-N 3.44Å; F64-L148 HydrophobicContact CE2-CD1 3.82Å; F64-L148 HydrophobicContact CE2-CG 4.44Å; F64-L148 HydrophobicContact CZ-CD1 3.54Å; F64-L148 HydrophobicContact CZ-CD2 4.42Å; F64-L148 HydrophobicContact CZ-CG 3.8Å; F64-R152 HydrophobicContact CD1-CG 4.2Å; F64-R152 HydrophobicContact CE1-CB 4.03Å; F64-R152 HydrophobicContact CE1-CG 3.79Å; F64-R152 HydrophobicContact CZ-CB 4.3Å; F64-R152 HydrophobicContact CZ-CG 4.48Å |
| 65 | D | 76.6 | Confident | 70.4 | Confident | 76 Ų | 76 | 77.1 Ų | 77.1 | 41% | 0.406 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.3 | -38.9 | -174.9 | -68.6 | -26.2 | 0 | 0 | 0 | 111.9 | N61 S69 | N61-D65 PolarHBondContact O-N 3.01Å; N61-D65 PolarHBondContact OD1-OD2 3.39Å; D65-S69 WeakPolarHBondContact O-CB 3.45Å; D65-S69 PolarHBondContact O-N 2.91Å |
| 66 | T | 81.4 | Confident | 72.3 | Confident | 70 Ų | 70 | 73 Ų | 73 | 43% | 0.429 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66.6 | -51.4 | 175.5 | 52 | 0 | 0 | 0 | 0 | 111.6 | V62 D63 F64 F68 S69 V70 | V62-T66 WeakPolarHBondContact O-CB 3.49Å; V62-T66 VanDerWaalsContact O-CG2 3.26Å; V62-T66 WeakPolarHBondContact O-CG2 3.47Å; V62-T66 PolarHBondContact O-N 3.35Å; V62-T66 PolarHBondContact O-OG1 3.44Å; D63-T66 WeakPolarHBondContact CA-OG1 3.1Å; D63-T66 PolarHBondContact O-OG1 3.1Å; F64-T66 VanDerWaalsContact C-N 3.34Å; F64-T66 PolarHBondContact O-N 3.44Å; T66-F68 VanDerWaalsContact C-N 3.32Å; T66-F68 PolarHBondContact O-N 2.88Å; T66-S69 PolarHBondContact O-N 3.11Å; T66-V70 WeakPolarHBondContact O-CB 3.42Å; T66-V70 VanDerWaalsContact O-CG2 3.26Å; T66-V70 WeakPolarHBondContact O-CG2 3.2Å; T66-V70 PolarHBondContact O-N 3.11Å |
| 67 | N | 79.8 | Confident | 74.4 | Confident | 79 Ų | 79 | 71.5 Ų | 71.5 | 42% | 0.422 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.9 | -39.1 | 178.3 | -74.4 | -50.3 | 0 | 0 | 0 | 112.2 | D63 F64 M71 | D63-N67 WeakPolarHBondContact O-CB 3.21Å; D63-N67 PolarHBondContact O-N 3.36Å; D63-N67 VanDerWaalsContact O-N 3.09Å; D63-N67 PolarHBondContact O-ND2 3.11Å; F64-N67 PolarHBondContact O-N 3.47Å; N67-M71 HydrophobicContact CB-CE 3.87Å; N67-M71 WeakPolarHBondContact O-CB 3.49Å; N67-M71 WeakPolarHBondContact O-CE 3.39Å; N67-M71 WeakPolarHBondContact O-CG 3.34Å; N67-M71 PolarHBondContact O-N 2.97Å |
| 68 | F | 84.1 | Confident | 76.6 | Confident | 30 Ų | 30 | 63.6 Ų | 63.6 | 13% | 0.132 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.5 | -47.9 | 175 | 174.8 | -97.1 | 0 | 0 | 0 | 111.3 | F27 F64 T66 C72 K145 L148 I149 | F27-F68 HydrophobicContact CE1-CE2 4.39Å; F27-F68 AromaticContact CE2-CD2 3.68Å; F27-F68 HydrophobicContact CE2-CD2 3.68Å; F27-F68 AromaticContact CE2-CE2 3.84Å; F27-F68 HydrophobicContact CE2-CE2 3.84Å; F27-F68 HydrophobicContact CE2-CG 4.48Å; F27-F68 AromaticContact CZ-CD2 3.76Å; F27-F68 HydrophobicContact CZ-CD2 3.76Å; F27-F68 AromaticContact CZ-CE2 3.39Å; F27-F68 HydrophobicContact CZ-CE2 3.39Å; F27-F68 HydrophobicContact CZ-CZ 4.18Å; F64-F68 HydrophobicContact CD1-CB 4.45Å; F64-F68 HydrophobicContact CE1-CB 4.26Å; F64-F68 HydrophobicContact CE1-CD2 4.47Å; F64-F68 HydrophobicContact CE1-CG 4.41Å; F64-F68 HydrophobicContact CZ-CD2 4.41Å; F64-F68 WeakPolarHBondContact O-CB 3.31Å; F64-F68 PolarHBondContact O-N 3.44Å; T66-F68 VanDerWaalsContact C-N 3.32Å; T66-F68 PolarHBondContact O-N 2.88Å; F68-C72 WeakPolarHBondContact O-CB 3.08Å; F68-C72 PolarHBondContact O-N 2.98Å; F68-C72 PolarHBondContact O-SG 3.43Å; F68-K145 HydrophobicContact CE2-CG 4.42Å; F68-K145 HydrophobicContact CZ-CG 3.87Å; F68-L148 HydrophobicContact CD2-CD2 3.43Å; F68-L148 VanDerWaalsContact CD2-CD2 3.43Å; F68-L148 HydrophobicContact CD2-CG 3.79Å; F68-L148 HydrophobicContact CE2-CB 4.06Å; F68-L148 HydrophobicContact CE2-CD2 3.53Å; F68-L148 HydrophobicContact CE2-CG 3.64Å; F68-I149 HydrophobicContact CE1-CG1 4.45Å; F68-I149 HydrophobicContact CE2-CG1 4.49Å; F68-I149 HydrophobicContact CZ-CD1 4.09Å; F68-I149 HydrophobicContact CZ-CG1 3.79Å |
| 69 | S | 85 | Confident | 78.5 | Confident | 57 Ų | 57 | 58.5 Ų | 58.5 | 40% | 0.399 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.5 | -46.5 | 178.7 | -176.2 | 0 | 0 | 0 | 0 | 111.6 | D65 T66 M71 C72 N73 | D65-S69 WeakPolarHBondContact O-CB 3.45Å; D65-S69 PolarHBondContact O-N 2.91Å; T66-S69 PolarHBondContact O-N 3.11Å; S69-M71 PolarHBondContact O-N 2.98Å; S69-C72 WeakPolarHBondContact O-CB 3.41Å; S69-C72 PolarHBondContact O-N 3.23Å; S69-N73 WeakPolarHBondContact O-CB 3.31Å; S69-N73 PolarHBondContact O-N 3.33Å; S69-N73 PolarHBondContact O-ND2 3.37Å; S69-N73 VanDerWaalsContact O-ND2 3.12Å |
| 70 | V | 85.4 | Confident | 80.4 | Confident | 72 Ų | 72 | 59.7 Ų | 59.7 | 44% | 0.436 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.1 | -50.8 | 177.1 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | T66 C72 N73 E74 | T66-V70 WeakPolarHBondContact O-CB 3.42Å; T66-V70 VanDerWaalsContact O-CG2 3.26Å; T66-V70 WeakPolarHBondContact O-CG2 3.2Å; T66-V70 PolarHBondContact O-N 3.11Å; V70-C72 PolarHBondContact O-N 3.09Å; V70-N73 PolarHBondContact O-N 2.87Å; V70-E74 WeakPolarHBondContact O-CG 3.32Å; V70-E74 PolarHBondContact O-N 3.43Å |
| 71 | M | 84 | Confident | 82.1 | Confident | 45 Ų | 45 | 64 Ų | 64 | 22% | 0.222 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -69 | -32 | 179.9 | -72.3 | -174.8 | -105 | 0 | 0 | 113.1 | F27 I30 N67 S69 I75 | F27-M71 HydrophobicContact CD2-CB 3.75Å; F27-M71 HydrophobicContact CE2-CB 4.3Å; I30-M71 HydrophobicContact CD1-CB 4.41Å; I30-M71 HydrophobicContact CD1-CE 3.13Å; I30-M71 HydrophobicContact CD1-CG 4.45Å; I30-M71 HydrophobicContact CD1-SD 3.45Å; I30-M71 WeakPolarHBondContact CD1-SD 3.35Å; I30-M71 HydrophobicContact CG1-CE 3.67Å; I30-M71 HydrophobicContact CG1-SD 4.14Å; N67-M71 HydrophobicContact CB-CE 3.87Å; N67-M71 WeakPolarHBondContact O-CB 3.49Å; N67-M71 WeakPolarHBondContact O-CE 3.39Å; N67-M71 WeakPolarHBondContact O-CG 3.34Å; N67-M71 PolarHBondContact O-N 2.97Å; S69-M71 PolarHBondContact O-N 2.98Å; M71-I75 WeakPolarHBondContact O-CB 3.48Å; M71-I75 WeakPolarHBondContact O-CD1 3.25Å; M71-I75 VanDerWaalsContact O-CG1 3.26Å; M71-I75 WeakPolarHBondContact O-CG1 3.16Å; M71-I75 PolarHBondContact O-N 3.09Å |
| 72 | C | 86.8 | Confident | 83.6 | Confident | 5 Ų | 5 | 60.2 Ų | 60.2 | 3% | 0.034 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.3 | -49.4 | 170.5 | -76.8 | 0 | 0 | 0 | 0 | 111.1 | F27 F68 S69 V70 E74 I75 E76 F141 | F27-C72 WeakPolarHBondContact CE2-SG 3.4Å; F27-C72 WeakPolarHBondContact CZ-SG 3.3Å; F68-C72 WeakPolarHBondContact O-CB 3.08Å; F68-C72 PolarHBondContact O-N 2.98Å; F68-C72 PolarHBondContact O-SG 3.43Å; S69-C72 WeakPolarHBondContact O-CB 3.41Å; S69-C72 PolarHBondContact O-N 3.23Å; V70-C72 PolarHBondContact O-N 3.09Å; C72-E74 PolarHBondContact O-N 2.93Å; C72-I75 PolarHBondContact O-N 3.4Å; C72-E76 WeakPolarHBondContact O-CB 3.4Å; C72-E76 VanDerWaalsContact O-CG 3.26Å; C72-E76 WeakPolarHBondContact O-CG 3.36Å; C72-E76 PolarHBondContact O-N 2.85Å; C72-F141 HydrophobicContact CB-CZ 4.13Å |
| 73 | N | 88.8 | Confident | 85 | Confident | 92 Ų | 92 | 58 Ų | 58 | 49% | 0.492 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.3 | -42.3 | -178.7 | -68.2 | -30.8 | 0 | 0 | 0 | 111.4 | S69 V70 E76 E77 | S69-N73 WeakPolarHBondContact O-CB 3.31Å; S69-N73 PolarHBondContact O-N 3.33Å; S69-N73 PolarHBondContact O-ND2 3.37Å; S69-N73 VanDerWaalsContact O-ND2 3.12Å; V70-N73 PolarHBondContact O-N 2.87Å; N73-E76 PolarHBondContact O-N 2.8Å; N73-E77 VanDerWaalsContact O-CB 3.31Å; N73-E77 WeakPolarHBondContact O-CB 3.36Å; N73-E77 PolarHBondContact O-N 2.89Å |
| 74 | E | 89.3 | Confident | 86 | Confident | 69 Ų | 69 | 58.4 Ų | 58.4 | 32% | 0.322 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 177.4 | -72.7 | 178.7 | -172.9 | 0 | 0 | 112.7 | K23 V70 C72 E77 Q78 | K23-E74 HydrophobicContact CD-CB 4.3Å; K23-E74 IonicContact NZ-OE2 2.73Å; K23-E74 PolarHBondContact NZ-OE2 3.49Å; V70-E74 WeakPolarHBondContact O-CG 3.32Å; V70-E74 PolarHBondContact O-N 3.43Å; C72-E74 PolarHBondContact O-N 2.93Å; E74-E77 PolarHBondContact O-N 2.94Å; E74-Q78 WeakPolarHBondContact O-CG 3.29Å; E74-Q78 PolarHBondContact O-N 3.17Å |
| 75 | I | 89.4 | Confident | 86.5 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.1 | -41.5 | 178.1 | -65.8 | 165.9 | 0 | 0 | 0 | 110.2 | K23 L24 F27 M71 C72 E77 Q78 L79 F141 | K23-I75 HydrophobicContact CB-CD1 4.2Å; K23-I75 HydrophobicContact CB-CG1 3.88Å; K23-I75 HydrophobicContact CD-CG1 4.35Å; L24-I75 HydrophobicContact CD2-CD1 4.21Å; L24-I75 HydrophobicContact CD2-CG2 4.45Å; F27-I75 HydrophobicContact CB-CD1 3.81Å; F27-I75 HydrophobicContact CD1-CD1 4.45Å; F27-I75 HydrophobicContact CD2-CD1 4.2Å; F27-I75 HydrophobicContact CG-CD1 3.92Å; M71-I75 WeakPolarHBondContact O-CB 3.48Å; M71-I75 WeakPolarHBondContact O-CD1 3.25Å; M71-I75 VanDerWaalsContact O-CG1 3.26Å; M71-I75 WeakPolarHBondContact O-CG1 3.16Å; M71-I75 PolarHBondContact O-N 3.09Å; C72-I75 PolarHBondContact O-N 3.4Å; I75-E77 VanDerWaalsContact C-N 3.34Å; I75-E77 PolarHBondContact O-N 2.76Å; I75-Q78 PolarHBondContact O-N 3.39Å; I75-L79 HydrophobicContact CG2-CD1 3.96Å; I75-L79 HydrophobicContact CG2-CG 4.3Å; I75-L79 WeakPolarHBondContact O-CB 3.41Å; I75-L79 VanDerWaalsContact O-CG 3.23Å; I75-L79 WeakPolarHBondContact O-CG 3.47Å; I75-L79 PolarHBondContact O-N 3.27Å; I75-F141 HydrophobicContact CB-CD2 4.01Å; I75-F141 HydrophobicContact CB-CE2 3.82Å; I75-F141 HydrophobicContact CB-CZ 4.37Å; I75-F141 HydrophobicContact CD1-CD2 3.91Å; I75-F141 HydrophobicContact CD1-CE2 3.84Å; I75-F141 HydrophobicContact CG1-CE2 4.43Å; I75-F141 HydrophobicContact CG2-CB 4.3Å; I75-F141 HydrophobicContact CG2-CD1 4.42Å; I75-F141 HydrophobicContact CG2-CD2 3.45Å; I75-F141 VanDerWaalsContact CG2-CD2 3.45Å; I75-F141 HydrophobicContact CG2-CE2 3.78Å; I75-F141 HydrophobicContact CG2-CG 3.79Å; I75-F141 HydrophobicContact CG2-CZ 4.38Å |
| 76 | E | 90.1 | Very high | 86.9 | Confident | 70 Ų | 70 | 54.1 Ų | 54.1 | 33% | 0.327 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.7 | -41.8 | 175.5 | -73.9 | 177.5 | -169 | 0 | 0 | 111.4 | C72 N73 L79 Q80 F141 K145 | C72-E76 WeakPolarHBondContact O-CB 3.4Å; C72-E76 VanDerWaalsContact O-CG 3.26Å; C72-E76 WeakPolarHBondContact O-CG 3.36Å; C72-E76 PolarHBondContact O-N 2.85Å; N73-E76 PolarHBondContact O-N 2.8Å; E76-L79 PolarHBondContact O-N 2.99Å; E76-Q80 WeakPolarHBondContact O-CG 3.36Å; E76-Q80 PolarHBondContact O-N 2.92Å; E76-F141 HydrophobicContact CG-CE1 3.59Å; E76-F141 HydrophobicContact CG-CZ 3.92Å; E76-F141 WeakPolarHBondContact OE1-CE1 3.5Å; E76-K145 IonicContact OE1-NZ 3.85Å; E76-K145 PolarHBondContact OE1-NZ 3.47Å |
| 77 | E | 91.4 | Very high | 87 | Confident | 87 Ų | 87 | 56.6 Ų | 56.6 | 41% | 0.407 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.7 | -46.6 | 174.6 | -174.5 | -175 | 176.7 | 0 | 0 | 111.9 | N73 E74 I75 L79 Q80 R81 | N73-E77 VanDerWaalsContact O-CB 3.31Å; N73-E77 WeakPolarHBondContact O-CB 3.36Å; N73-E77 PolarHBondContact O-N 2.89Å; E74-E77 PolarHBondContact O-N 2.94Å; I75-E77 VanDerWaalsContact C-N 3.34Å; I75-E77 PolarHBondContact O-N 2.76Å; E77-L79 VanDerWaalsContact C-N 3.34Å; E77-L79 PolarHBondContact O-N 3.44Å; E77-Q80 WeakPolarHBondContact O-CB 3.49Å; E77-Q80 PolarHBondContact O-N 2.75Å; E77-R81 WeakPolarHBondContact O-CG 3.44Å; E77-R81 PolarHBondContact O-N 3.02Å; E77-R81 IonicContact OE1-CZ 2.86Å; E77-R81 VanDerWaalsContact OE1-CZ 3.24Å; E77-R81 IonicContact OE1-NE 3.28Å; E77-R81 PolarHBondContact OE1-NE 3.44Å; E77-R81 IonicContact OE1-NH2 3.82Å; E77-R81 PolarHBondContact OE1-NH2 3.46Å |
| 78 | Q | 88.8 | Confident | 87.1 | Confident | 14 Ų | 14 | 58.5 Ų | 58.5 | 7% | 0.065 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.3 | -38.2 | 178.2 | -75.5 | -178.6 | -26.3 | 0 | 0 | 112.2 | L16 E19 I20 K23 E74 I75 Q80 R81 L82 | L16-Q78 HydrophobicContact CD2-CG 4.49Å; E19-Q78 PolarHBondContact OE2-NE2 3.43Å; I20-Q78 HydrophobicContact CD1-CB 4.12Å; I20-Q78 HydrophobicContact CG1-CB 3.7Å; K23-Q78 VanDerWaalsContact CD-OE1 3.31Å; E74-Q78 WeakPolarHBondContact O-CG 3.29Å; E74-Q78 PolarHBondContact O-N 3.17Å; I75-Q78 PolarHBondContact O-N 3.39Å; Q78-Q80 VanDerWaalsContact C-N 3.33Å; Q78-Q80 PolarHBondContact O-N 2.98Å; Q78-R81 PolarHBondContact O-N 3.06Å; Q78-L82 WeakPolarHBondContact O-CB 3.29Å; Q78-L82 PolarHBondContact O-N 3.28Å |
| 79 | L | 89.1 | Confident | 86.6 | Confident | 18 Ų | 18 | 57 Ų | 57 | 9% | 0.094 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.2 | -39.2 | 173.6 | -73.1 | 170.7 | 0 | 0 | 0 | 111.6 | I20 I75 E76 E77 T83 L134 F141 | I20-L79 HydrophobicContact CD1-CD2 4.18Å; I75-L79 HydrophobicContact CG2-CD1 3.96Å; I75-L79 HydrophobicContact CG2-CG 4.3Å; I75-L79 WeakPolarHBondContact O-CB 3.41Å; I75-L79 VanDerWaalsContact O-CG 3.23Å; I75-L79 WeakPolarHBondContact O-CG 3.47Å; I75-L79 PolarHBondContact O-N 3.27Å; E76-L79 PolarHBondContact O-N 2.99Å; E77-L79 VanDerWaalsContact C-N 3.34Å; E77-L79 PolarHBondContact O-N 3.44Å; L79-T83 WeakPolarHBondContact O-CB 3.25Å; L79-T83 PolarHBondContact O-N 3.44Å; L79-T83 PolarHBondContact O-OG1 2.99Å; L79-L134 HydrophobicContact CD2-CD1 3.8Å; L79-F141 HydrophobicContact CD1-CB 4.4Å; L79-F141 HydrophobicContact CD1-CD1 4.28Å; L79-F141 HydrophobicContact CD1-CG 4.46Å |
| 80 | Q | 90.2 | Very high | 86.1 | Confident | 136 Ų | 136 | 55.4 Ų | 55.4 | 64% | 0.636 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -65 | -44.2 | 174.1 | -73.1 | 175 | 1.4 | 0 | 0 | 111.8 | E76 E77 Q78 T83 Q84 | E76-Q80 WeakPolarHBondContact O-CG 3.36Å; E76-Q80 PolarHBondContact O-N 2.92Å; E77-Q80 WeakPolarHBondContact O-CB 3.49Å; E77-Q80 PolarHBondContact O-N 2.75Å; Q78-Q80 VanDerWaalsContact C-N 3.33Å; Q78-Q80 PolarHBondContact O-N 2.98Å; Q80-T83 WeakPolarHBondContact O-CB 3.3Å; Q80-T83 PolarHBondContact O-N 2.88Å; Q80-Q84 PolarHBondContact O-N 3.17Å |
| 81 | R | 88.1 | Confident | 85.4 | Confident | 131 Ų | 131 | 57 Ų | 57 | 49% | 0.494 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 176.1 | -70.4 | -179.9 | -176.4 | -166.9 | 1.2 | 111.7 | L16 E77 Q78 T83 Q84 I85 | L16-R81 HydrophobicContact CD1-CB 3.93Å; E77-R81 WeakPolarHBondContact O-CG 3.44Å; E77-R81 PolarHBondContact O-N 3.02Å; E77-R81 IonicContact OE1-CZ 2.86Å; E77-R81 VanDerWaalsContact OE1-CZ 3.24Å; E77-R81 IonicContact OE1-NE 3.28Å; E77-R81 PolarHBondContact OE1-NE 3.44Å; E77-R81 IonicContact OE1-NH2 3.82Å; E77-R81 PolarHBondContact OE1-NH2 3.46Å; Q78-R81 PolarHBondContact O-N 3.06Å; R81-T83 VanDerWaalsContact C-N 3.31Å; R81-T83 PolarHBondContact O-N 3.3Å; R81-Q84 PolarHBondContact O-N 3.37Å; R81-I85 WeakPolarHBondContact O-CG1 3.4Å; R81-I85 PolarHBondContact O-N 3.03Å |
| 82 | L | 87.1 | Confident | 84.6 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64 | -37 | 175.8 | -176.2 | 61.1 | 0 | 0 | 0 | 111.4 | A13 L16 E17 I20 Q78 I85 N86 L134 | A13-L82 HydrophobicContact CB-CD1 3.94Å; L16-L82 HydrophobicContact CB-CD1 4.39Å; L16-L82 HydrophobicContact CD1-CB 4.32Å; E17-L82 HydrophobicContact CG-CD1 4.31Å; E17-L82 HydrophobicContact CG-CD2 4.05Å; I20-L82 HydrophobicContact CD1-CB 4.34Å; I20-L82 HydrophobicContact CD1-CD2 3.82Å; Q78-L82 WeakPolarHBondContact O-CB 3.29Å; Q78-L82 PolarHBondContact O-N 3.28Å; L82-I85 PolarHBondContact O-N 2.83Å; L82-N86 WeakPolarHBondContact O-CB 3.38Å; L82-N86 PolarHBondContact O-N 3.47Å; L82-N86 PolarHBondContact O-ND2 3.49Å; L82-N86 PolarHBondContact O-OD1 2.82Å; L82-L134 HydrophobicContact CB-CD1 4.19Å; L82-L134 HydrophobicContact CD2-CB 4.31Å; L82-L134 HydrophobicContact CD2-CD1 3.87Å; L82-L134 HydrophobicContact CG-CD1 4.07Å |
| 83 | T | 88.8 | Confident | 83.4 | Confident | 50 Ų | 50 | 59.7 Ų | 59.7 | 31% | 0.307 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.8 | -49.1 | 173 | -56.2 | 0 | 0 | 0 | 0 | 111.1 | L79 Q80 R81 I85 N86 E87 L134 | L79-T83 WeakPolarHBondContact O-CB 3.25Å; L79-T83 PolarHBondContact O-N 3.44Å; L79-T83 PolarHBondContact O-OG1 2.99Å; Q80-T83 WeakPolarHBondContact O-CB 3.3Å; Q80-T83 PolarHBondContact O-N 2.88Å; R81-T83 VanDerWaalsContact C-N 3.31Å; R81-T83 PolarHBondContact O-N 3.3Å; T83-I85 VanDerWaalsContact C-N 3.34Å; T83-I85 PolarHBondContact O-N 3.43Å; T83-N86 WeakPolarHBondContact O-CB 3.23Å; T83-N86 PolarHBondContact O-N 3.26Å; T83-E87 WeakPolarHBondContact O-CG 3.49Å; T83-E87 PolarHBondContact O-N 3.29Å; T83-L134 HydrophobicContact CG2-CD2 4.36Å; T83-L134 WeakPolarHBondContact OG1-CD2 3.44Å |
| 84 | Q | 87.8 | Confident | 82 | Confident | 94 Ų | 94 | 59.6 Ų | 59.6 | 44% | 0.439 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.3 | -42.3 | 177.4 | -178.1 | -178.4 | 91.6 | 0 | 0 | 111.9 | Q80 R81 N86 E87 R88 | Q80-Q84 PolarHBondContact O-N 3.17Å; R81-Q84 PolarHBondContact O-N 3.37Å; Q84-N86 VanDerWaalsContact C-N 3.35Å; Q84-E87 PolarHBondContact O-N 2.93Å; Q84-R88 WeakPolarHBondContact O-CG 3.44Å; Q84-R88 PolarHBondContact O-N 2.91Å; Q84-R88 VanDerWaalsContact OE1-CZ 3.24Å; Q84-R88 VanDerWaalsContact OE1-NH1 3.14Å |
| 85 | I | 84.8 | Confident | 80.2 | Confident | 11 Ų | 11 | 63.9 Ų | 63.9 | 6% | 0.056 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.7 | -39 | 177.7 | -69.4 | 159.7 | 0 | 0 | 0 | 110.7 | L9 Q12 A13 L16 R81 L82 T83 R88 M89 | L9-I85 HydrophobicContact CB-CG2 4.3Å; L9-I85 WeakPolarHBondContact O-CG2 3.33Å; Q12-I85 HydrophobicContact CB-CD1 4.12Å; A13-I85 HydrophobicContact CB-CG2 3.94Å; L16-I85 HydrophobicContact CD1-CD1 3.33Å; R81-I85 WeakPolarHBondContact O-CG1 3.4Å; R81-I85 PolarHBondContact O-N 3.03Å; L82-I85 PolarHBondContact O-N 2.83Å; T83-I85 VanDerWaalsContact C-N 3.34Å; T83-I85 PolarHBondContact O-N 3.43Å; I85-R88 PolarHBondContact O-N 2.9Å; I85-M89 HydrophobicContact CG2-CE 4Å; I85-M89 HydrophobicContact CG2-CG 4.45Å; I85-M89 WeakPolarHBondContact O-CB 3.26Å; I85-M89 WeakPolarHBondContact O-CG 3.48Å; I85-M89 PolarHBondContact O-N 2.8Å |
| 86 | N | 84.9 | Confident | 78.3 | Confident | 5 Ų | 5 | 70.3 Ų | 70.3 | 3% | 0.027 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.4 | -39.8 | 175 | -73.4 | -9.8 | 0 | 0 | 0 | 112.7 | L82 T83 Q84 M89 A90 H130 | L82-N86 WeakPolarHBondContact O-CB 3.38Å; L82-N86 PolarHBondContact O-N 3.47Å; L82-N86 PolarHBondContact O-ND2 3.49Å; L82-N86 PolarHBondContact O-OD1 2.82Å; T83-N86 WeakPolarHBondContact O-CB 3.23Å; T83-N86 PolarHBondContact O-N 3.26Å; Q84-N86 VanDerWaalsContact C-N 3.35Å; N86-M89 HydrophobicContact CB-CE 4.47Å; N86-M89 PolarHBondContact O-N 2.98Å; N86-M89 WeakPolarHBondContact OD1-CE 3.33Å; N86-A90 WeakPolarHBondContact O-CB 3.3Å; N86-A90 PolarHBondContact O-N 2.84Å; N86-H130 PolarHBondContact ND2-O 3.33Å; N86-H130 VanDerWaalsContact ND2-O 3.08Å; N86-H130 VanDerWaalsContact OD1-CB 3.25Å; N86-H130 WeakPolarHBondContact OD1-CB 3.27Å |
| 87 | E | 83.5 | Confident | 76 | Confident | 122 Ų | 122 | 74.9 Ų | 74.9 | 57% | 0.57 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62.8 | -47.6 | 172.5 | -73.1 | 176.7 | 172.3 | 0 | 0 | 110.9 | T83 Q84 M89 A90 T91 | T83-E87 WeakPolarHBondContact O-CG 3.49Å; T83-E87 PolarHBondContact O-N 3.29Å; Q84-E87 PolarHBondContact O-N 2.93Å; E87-M89 PolarHBondContact O-N 3.44Å; E87-A90 CarbonylContact O-C 3.58Å; E87-A90 WeakPolarHBondContact O-CA 3.39Å; E87-A90 WeakPolarHBondContact O-CB 3.32Å; E87-A90 PolarHBondContact O-N 3.21Å; E87-T91 WeakPolarHBondContact O-CG2 3.5Å; E87-T91 PolarHBondContact O-N 3.44Å |
| 88 | R | 81.2 | Confident | 73.9 | Confident | 119 Ų | 119 | 74.7 Ų | 74.7 | 45% | 0.449 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 176.3 | -68.4 | 178.6 | 176.7 | 149.6 | 5.2 | 111.9 | L9 Q84 I85 A90 T91 F92 | L9-R88 HydrophobicContact CD2-CB 3.34Å; Q84-R88 WeakPolarHBondContact O-CG 3.44Å; Q84-R88 PolarHBondContact O-N 2.91Å; Q84-R88 VanDerWaalsContact OE1-CZ 3.24Å; Q84-R88 VanDerWaalsContact OE1-NH1 3.14Å; I85-R88 PolarHBondContact O-N 2.9Å; R88-A90 PolarHBondContact O-N 3.25Å; R88-T91 PolarHBondContact O-N 3.37Å; R88-T91 VanDerWaalsContact O-N 3.09Å; R88-T91 PolarHBondContact O-OG1 3.47Å; R88-F92 WeakPolarHBondContact O-CD2 3.41Å; R88-F92 PolarHBondContact O-N 3.41Å |
| 89 | M | 73.6 | Confident | 71.4 | Confident | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -59.2 | -37.6 | 173.1 | -77.5 | -169.5 | -68.1 | 0 | 0 | 111.8 | L9 R10 A13 I85 N86 E87 F92 V93 A127 H130 | L9-M89 HydrophobicContact CB-CG 3.63Å; L9-M89 HydrophobicContact CB-SD 4.32Å; L9-M89 HydrophobicContact CD2-CG 3.79Å; L9-M89 HydrophobicContact CG-CG 4.38Å; R10-M89 HydrophobicContact CB-SD 4.45Å; A13-M89 HydrophobicContact CB-CE 3.75Å; A13-M89 HydrophobicContact CB-SD 4.41Å; I85-M89 HydrophobicContact CG2-CE 4Å; I85-M89 HydrophobicContact CG2-CG 4.45Å; I85-M89 WeakPolarHBondContact O-CB 3.26Å; I85-M89 WeakPolarHBondContact O-CG 3.48Å; I85-M89 PolarHBondContact O-N 2.8Å; N86-M89 HydrophobicContact CB-CE 4.47Å; N86-M89 PolarHBondContact O-N 2.98Å; N86-M89 WeakPolarHBondContact OD1-CE 3.33Å; E87-M89 PolarHBondContact O-N 3.44Å; M89-F92 PolarHBondContact O-N 3.49Å; M89-V93 WeakPolarHBondContact O-CG2 3.26Å; M89-A127 HydrophobicContact CB-CB 4.5Å; M89-H130 HydrophobicContact CE-CB 3.87Å |
| 90 | A | 74.4 | Confident | 69.1 | Low | 22 Ų | 22 | 84.5 Ų | 84.5 | 18% | 0.182 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -69.5 | -33.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | N86 E87 R88 F92 V93 | N86-A90 WeakPolarHBondContact O-CB 3.3Å; N86-A90 PolarHBondContact O-N 2.84Å; E87-A90 CarbonylContact O-C 3.58Å; E87-A90 WeakPolarHBondContact O-CA 3.39Å; E87-A90 WeakPolarHBondContact O-CB 3.32Å; E87-A90 PolarHBondContact O-N 3.21Å; R88-A90 PolarHBondContact O-N 3.25Å; A90-F92 VanDerWaalsContact C-N 3.3Å; A90-F92 PolarHBondContact O-N 2.94Å; A90-V93 CarbonylContact O-C 3.56Å; A90-V93 WeakPolarHBondContact O-CA 3.46Å; A90-V93 WeakPolarHBondContact O-CB 3.39Å; A90-V93 PolarHBondContact O-N 2.73Å; A90-V93 VanDerWaalsContact O-O 3.08Å |
| 91 | T | 72.3 | Confident | 66.7 | Low | 105 Ų | 105 | 83.6 Ų | 83.6 | 64% | 0.644 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -65.2 | -32.2 | 176.2 | 63.3 | 0 | 0 | 0 | 0 | 113.1 | E87 R88 V93 | E87-T91 WeakPolarHBondContact O-CG2 3.5Å; E87-T91 PolarHBondContact O-N 3.44Å; R88-T91 PolarHBondContact O-N 3.37Å; R88-T91 VanDerWaalsContact O-N 3.09Å; R88-T91 PolarHBondContact O-OG1 3.47Å; T91-V93 PolarHBondContact O-N 3.28Å |
| 92 | F | 65.5 | Low | 64.5 | Low | 85 Ų | 85 | 82.2 Ų | 82.2 | 37% | 0.373 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -5.9 | 173.8 | -69.2 | -67 | 0 | 0 | 0 | 113.6 | T5 L9 R88 M89 A90 P94 | T5-F92 VanDerWaalsContact OG1-CE1 3.26Å; T5-F92 WeakPolarHBondContact OG1-CE1 3.49Å; T5-F92 WeakPolarHBondContact OG1-CZ 3.06Å; L9-F92 HydrophobicContact CD1-CE2 3.9Å; L9-F92 HydrophobicContact CD2-CD2 4.1Å; L9-F92 HydrophobicContact CD2-CE2 3.87Å; R88-F92 WeakPolarHBondContact O-CD2 3.41Å; R88-F92 PolarHBondContact O-N 3.41Å; M89-F92 PolarHBondContact O-N 3.49Å; A90-F92 VanDerWaalsContact C-N 3.3Å; A90-F92 PolarHBondContact O-N 2.94Å; F92-P94 VanDerWaalsContact C-CD 3.42Å; F92-P94 WeakPolarHBondContact O-CD 3.33Å |
| 93 | V | 62.2 | Low | 62.5 | Low | 23 Ų | 23 | 91.1 Ų | 91.1 | 14% | 0.139 | 50% | 0.503 | C | S | . | . | S | Bend | trans | -103.3 | 86.9 | 173.7 | 177.3 | 0 | 0 | 0 | 0 | 107.2 | M89 A90 T91 E95 Q123 L124 | M89-V93 WeakPolarHBondContact O-CG2 3.26Å; A90-V93 CarbonylContact O-C 3.56Å; A90-V93 WeakPolarHBondContact O-CA 3.46Å; A90-V93 WeakPolarHBondContact O-CB 3.39Å; A90-V93 PolarHBondContact O-N 2.73Å; A90-V93 VanDerWaalsContact O-O 3.08Å; T91-V93 PolarHBondContact O-N 3.28Å; V93-E95 PolarHBondContact O-N 3.02Å; V93-Q123 HydrophobicContact CG2-CB 4.26Å; V93-L124 HydrophobicContact CG1-CD1 4.32Å; V93-L124 HydrophobicContact CG1-CD2 3.21Å; V93-L124 HydrophobicContact CG1-CG 3.39Å |
| 94 | P | 58.7 | Low | 60.2 | Low | 89 Ų | 89 | 95.9 Ų | 95.9 | 58% | 0.578 | 53% | 0.526 | S | S | * | . | trans | -61.4 | 115.9 | 177 | 17.9 | -25.3 | 0 | 0 | 0 | 109.3 | F92 T96 | F92-P94 VanDerWaalsContact C-CD 3.42Å; F92-P94 WeakPolarHBondContact O-CD 3.33Å; P94-T96 VanDerWaalsContact C-N 3.33Å; P94-T96 PolarHBondContact O-N 2.99Å | ||
| 95 | E | 52.6 | Low | 58 | Low | 160 Ų | 160 | 96.7 Ų | 96.7 | 75% | 0.748 | 54% | 0.543 | S | S | * | . | trans | -61.6 | 94.2 | 167.9 | -166.1 | 146.9 | -149.8 | 0 | 0 | 107.2 | V93 E97 | V93-E95 PolarHBondContact O-N 3.02Å; E95-E97 HydrophobicContact CG-CB 4.16Å; E95-E97 HydrophobicContact CG-CG 3.96Å; E95-E97 PolarHBondContact O-N 3.41Å | ||
| 96 | T | 49 | Very low | 56 | Low | 135 Ų | 135 | 100.6 Ų | 100.6 | 83% | 0.828 | 58% | 0.576 | S | S | * | * | trans | -71 | 65.9 | 165.7 | 28.7 | 0 | 0 | 0 | 0 | 109 | P94 | P94-T96 VanDerWaalsContact C-N 3.33Å; P94-T96 PolarHBondContact O-N 2.99Å | ||
| 97 | E | 43.2 | Very low | 53.9 | Low | 166 Ų | 166 | 104.2 Ų | 104.2 | 78% | 0.776 | 61% | 0.607 | S | S | * | * | trans | -109.5 | 71.4 | 159 | -68.7 | -159.1 | 161.9 | 0 | 0 | 108 | E95 | E95-E97 HydrophobicContact CG-CB 4.16Å; E95-E97 HydrophobicContact CG-CG 3.96Å; E95-E97 PolarHBondContact O-N 3.41Å | ||
| 98 | A | 45.6 | Very low | 51.9 | Low | 83 Ų | 83 | 109.9 Ų | 109.9 | 69% | 0.686 | 62% | 0.623 | S | S | * | * | trans | -145.2 | 91.8 | 158.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 99 | T | 37.2 | Very low | 50.2 | Low | 106 Ų | 106 | 111.4 Ų | 111.4 | 65% | 0.65 | 64% | 0.64 | S | S | * | * | trans | 63.5 | 111.1 | 134.2 | -43.2 | 0 | 0 | 0 | 0 | 118.4 | T101 | T99-T101 HydrophobicContact CG2-CG2 4.08Å; T99-T101 WeakPolarHBondContact CG2-OG1 3.38Å | ||
| 100 | P | 41.3 | Very low | 48.8 | Very low | 132 Ų | 132 | 117 Ų | 117 | 86% | 0.857 | 68% | 0.677 | S | S | * | * | trans | -118 | 70.5 | 133.1 | 34.3 | -26.8 | 0 | 0 | 0 | 109.1 | S102 | P100-S102 VanDerWaalsContact C-N 3.27Å; P100-S102 PolarHBondContact O-N 3.07Å | ||
| 101 | T | 39.8 | Very low | 47.2 | Very low | 117 Ų | 117 | 123.7 Ų | 123.7 | 72% | 0.718 | 71% | 0.709 | S | S | * | * | trans | -82.4 | 78.2 | 158.8 | 56.9 | 0 | 0 | 0 | 0 | 108.1 | T99 | T99-T101 HydrophobicContact CG2-CG2 4.08Å; T99-T101 WeakPolarHBondContact CG2-OG1 3.38Å | ||
| 102 | S | 42.2 | Very low | 46.1 | Very low | 102 Ų | 102 | 125.5 Ų | 125.5 | 71% | 0.713 | 72% | 0.715 | S | S | * | * | trans | -177.7 | 111.8 | 149.6 | 25.6 | 0 | 0 | 0 | 0 | 108.5 | P100 D104 | P100-S102 VanDerWaalsContact C-N 3.27Å; P100-S102 PolarHBondContact O-N 3.07Å; S102-D104 PolarHBondContact O-N 2.95Å; S102-D104 VanDerWaalsContact O-N 3.1Å | ||
| 103 | F | 43.3 | Very low | 45.4 | Very low | 188 Ų | 188 | 125.6 Ų | 125.6 | 83% | 0.825 | 72% | 0.723 | S | S | * | * | trans | -32.6 | 104 | 140.1 | 175.6 | -93.2 | 0 | 0 | 0 | 110 | ||||
| 104 | D | 41.8 | Very low | 44.9 | Very low | 149 Ų | 149 | 128.8 Ų | 128.8 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | trans | -156.2 | 124.7 | 144.4 | -103.8 | -22.7 | 0 | 0 | 0 | 111.5 | S102 | S102-D104 PolarHBondContact O-N 2.95Å; S102-D104 VanDerWaalsContact O-N 3.1Å | ||
| 105 | S | 41.5 | Very low | 44.4 | Very low | 112 Ų | 112 | 131.7 Ų | 131.7 | 78% | 0.783 | 75% | 0.754 | S | S | * | * | trans | -96.1 | 89.4 | -173.8 | -57.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 106 | A | 42.9 | Very low | 44.2 | Very low | 92 Ų | 92 | 129.6 Ų | 129.6 | 76% | 0.76 | 75% | 0.746 | S | S | * | * | trans | -163.9 | 112.4 | 167 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 107 | A | 40.9 | Very low | 44.6 | Very low | 82 Ų | 82 | 126 Ų | 126 | 68% | 0.678 | 73% | 0.729 | S | S | * | * | trans | 50.6 | 106.2 | 139 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 108 | R | 40.8 | Very low | 45.3 | Very low | 240 Ų | 240 | 121.3 Ų | 121.3 | 91% | 0.906 | 72% | 0.719 | S | S | * | * | 151.6 | 116.8 | 119.4 | -78.7 | 152.4 | 178.7 | 179.3 | -0.9 | 111.5 | |||||
| 109 | N | 45.1 | Very low | 46.3 | Very low | 151 Ų | 151 | 119.2 Ų | 119.2 | 81% | 0.807 | 71% | 0.706 | S | S | * | * | trans | 57 | 112.5 | 159.7 | -76.9 | -2.9 | 0 | 0 | 0 | 120.8 | ||||
| 110 | P | 44.9 | Very low | 47.7 | Very low | 117 Ų | 117 | 120.2 Ų | 120.2 | 76% | 0.76 | 70% | 0.697 | S | S | * | * | trans | -130.4 | 70.5 | 155.7 | 38.2 | -21.3 | 0 | 0 | 0 | 111.4 | ||||
| 111 | L | 41.4 | Very low | 49 | Very low | 163 Ų | 163 | 119.6 Ų | 119.6 | 85% | 0.853 | 69% | 0.686 | S | S | * | * | trans | -107.8 | 106.5 | 164.2 | -62.8 | 165.3 | 0 | 0 | 0 | 105.7 | ||||
| 112 | N | 48.7 | Very low | 50.6 | Low | 144 Ų | 144 | 117 Ų | 117 | 77% | 0.77 | 67% | 0.673 | S | S | * | * | S | Bend | trans | 129.3 | 45.4 | 165.7 | -160.4 | 33 | 0 | 0 | 0 | 120.5 | ||
| 113 | P | 49.9 | Very low | 52.3 | Low | 86 Ų | 86 | 114.6 Ų | 114.6 | 56% | 0.558 | 65% | 0.651 | S | S | * | * | trans | -114.8 | -0.7 | 169.7 | 36.7 | -29.5 | 0 | 0 | 0 | 118.1 | ||||
| 114 | T | 51.6 | Low | 53.9 | Low | 91 Ų | 91 | 110 Ų | 110 | 56% | 0.558 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -80 | -35.9 | -164.9 | 40.9 | 0 | 0 | 0 | 0 | 116.1 | M116 | T114-M116 PolarHBondContact O-N 2.71Å |
| 115 | N | 48.5 | Very low | 55.6 | Low | 149 Ų | 149 | 108.8 Ų | 108.8 | 80% | 0.797 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -79.8 | -19.6 | -175.3 | -68.4 | -1.4 | 0 | 0 | 0 | 113.8 | ||
| 116 | M | 48.3 | Very low | 57.6 | Low | 117 Ų | 117 | 104.4 Ų | 104.4 | 58% | 0.576 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -79.2 | -23.8 | 177.1 | -129.7 | -177.3 | -72.7 | 0 | 0 | 112.4 | T114 R120 | T114-M116 PolarHBondContact O-N 2.71Å; M116-R120 WeakPolarHBondContact O-CB 2.99Å; M116-R120 WeakPolarHBondContact O-CD 3.21Å; M116-R120 WeakPolarHBondContact O-CG 3.41Å; M116-R120 PolarHBondContact O-N 3.35Å; M116-R120 PolarHBondContact SD-NH2 3.17Å |
| 117 | A | 56.9 | Low | 59.4 | Low | 58 Ų | 58 | 100.4 Ų | 100.4 | 48% | 0.479 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -73.8 | -38.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R120 L121 | A117-R120 PolarHBondContact O-N 3.36Å; A117-L121 WeakPolarHBondContact O-CB 3.22Å; A117-L121 PolarHBondContact O-N 3.5Å |
| 118 | A | 59 | Low | 61.4 | Low | 69 Ų | 69 | 102.4 Ų | 102.4 | 57% | 0.57 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -67.5 | -43.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L121 S122 | A118-L121 PolarHBondContact O-N 3.36Å; A118-S122 PolarHBondContact O-N 3.26Å |
| 119 | G | 66.6 | Low | 63.5 | Low | 39 Ų | 39 | 98.1 Ų | 98.1 | 40% | 0.402 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.2 | -47.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L121 S122 Q123 | G119-L121 PolarHBondContact O-N 3.1Å; G119-S122 WeakPolarHBondContact O-CB 3.39Å; G119-S122 PolarHBondContact O-N 3.25Å; G119-Q123 VanDerWaalsContact O-CG 3.31Å; G119-Q123 WeakPolarHBondContact O-CG 3.42Å; G119-Q123 PolarHBondContact O-N 3.37Å |
| 120 | R | 65.7 | Low | 65.4 | Low | 126 Ų | 126 | 91.3 Ų | 91.3 | 48% | 0.475 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.8 | -38.9 | 178.3 | -71.3 | 176.7 | -175.3 | -157.5 | 2.7 | 113.3 | M116 A117 Q123 L124 | M116-R120 WeakPolarHBondContact O-CB 2.99Å; M116-R120 WeakPolarHBondContact O-CD 3.21Å; M116-R120 WeakPolarHBondContact O-CG 3.41Å; M116-R120 PolarHBondContact O-N 3.35Å; M116-R120 PolarHBondContact SD-NH2 3.17Å; A117-R120 PolarHBondContact O-N 3.36Å; R120-Q123 PolarHBondContact O-N 2.97Å; R120-L124 PolarHBondContact O-N 3.4Å |
| 121 | L | 69 | Low | 67.3 | Low | 119 Ų | 119 | 92.5 Ų | 92.5 | 62% | 0.623 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.9 | -38.8 | 176 | -174.4 | 64 | 0 | 0 | 0 | 112 | A117 A118 G119 Q123 L124 H125 | A117-L121 WeakPolarHBondContact O-CB 3.22Å; A117-L121 PolarHBondContact O-N 3.5Å; A118-L121 PolarHBondContact O-N 3.36Å; G119-L121 PolarHBondContact O-N 3.1Å; L121-Q123 VanDerWaalsContact C-N 3.33Å; L121-L124 WeakPolarHBondContact O-CB 3.4Å; L121-L124 PolarHBondContact O-N 2.93Å; L121-H125 WeakPolarHBondContact O-CB 3.49Å; L121-H125 PolarHBondContact O-N 3.46Å |
| 122 | S | 73.6 | Confident | 69.4 | Low | 64 Ų | 64 | 89.3 Ų | 89.3 | 45% | 0.448 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.6 | -38.6 | 173.3 | -175.7 | 0 | 0 | 0 | 0 | 112 | A118 G119 H125 T126 | A118-S122 PolarHBondContact O-N 3.26Å; G119-S122 WeakPolarHBondContact O-CB 3.39Å; G119-S122 PolarHBondContact O-N 3.25Å; S122-H125 PolarHBondContact O-N 2.8Å; S122-T126 WeakPolarHBondContact O-CB 3.17Å; S122-T126 PolarHBondContact O-N 2.9Å; S122-T126 PolarHBondContact O-OG1 2.99Å |
| 123 | Q | 78.3 | Confident | 71.3 | Confident | 51 Ų | 51 | 84 Ų | 84 | 24% | 0.238 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -64.8 | -45.9 | 175.8 | -66.7 | 175.6 | -0.8 | 0 | 0 | 112.2 | W6 V93 G119 R120 L121 T126 A127 | W6-Q123 HydrophobicContact CD2-CB 4.3Å; W6-Q123 HydrophobicContact CD2-CG 3.63Å; W6-Q123 VanDerWaalsContact CE2-CG 3.48Å; W6-Q123 HydrophobicContact CE3-CG 3.93Å; W6-Q123 HydrophobicContact CG-CG 4.19Å; W6-Q123 HydrophobicContact CH2-CB 4.33Å; W6-Q123 HydrophobicContact CH2-CG 3.93Å; W6-Q123 HydrophobicContact CZ2-CB 3.71Å; W6-Q123 HydrophobicContact CZ2-CG 3.69Å; W6-Q123 HydrophobicContact CZ3-CG 4.04Å; V93-Q123 HydrophobicContact CG2-CB 4.26Å; G119-Q123 VanDerWaalsContact O-CG 3.31Å; G119-Q123 WeakPolarHBondContact O-CG 3.42Å; G119-Q123 PolarHBondContact O-N 3.37Å; R120-Q123 PolarHBondContact O-N 2.97Å; L121-Q123 VanDerWaalsContact C-N 3.33Å; Q123-T126 PolarHBondContact O-N 2.86Å; Q123-A127 WeakPolarHBondContact O-CB 3.45Å; Q123-A127 PolarHBondContact O-N 3.16Å |
| 124 | L | 75.9 | Confident | 73 | Confident | 90 Ų | 90 | 81.1 Ų | 81.1 | 47% | 0.471 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -54.8 | -51.2 | 172.7 | -89.6 | 161.8 | 0 | 0 | 0 | 112.2 | V93 R120 L121 T126 A127 K128 | V93-L124 HydrophobicContact CG1-CD1 4.32Å; V93-L124 HydrophobicContact CG1-CD2 3.21Å; V93-L124 HydrophobicContact CG1-CG 3.39Å; R120-L124 PolarHBondContact O-N 3.4Å; L121-L124 WeakPolarHBondContact O-CB 3.4Å; L121-L124 PolarHBondContact O-N 2.93Å; L124-T126 VanDerWaalsContact C-N 3.32Å; L124-T126 PolarHBondContact O-N 3.15Å; L124-A127 PolarHBondContact O-N 3.22Å; L124-K128 WeakPolarHBondContact O-CB 3.18Å; L124-K128 PolarHBondContact O-N 2.7Å |
| 125 | H | 77.6 | Confident | 74.7 | Confident | 125 Ų | 125 | 84.5 Ų | 84.5 | 58% | 0.579 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -62.2 | -41.4 | -179.7 | -177.3 | -89.9 | 0 | 0 | 0 | 111.6 | L121 S122 K128 R129 | L121-H125 WeakPolarHBondContact O-CB 3.49Å; L121-H125 PolarHBondContact O-N 3.46Å; S122-H125 PolarHBondContact O-N 2.8Å; H125-K128 PolarHBondContact O-N 2.97Å; H125-R129 WeakPolarHBondContact O-CB 3.27Å; H125-R129 PolarHBondContact O-N 2.99Å |
| 126 | T | 84.8 | Confident | 76.6 | Confident | 20 Ų | 20 | 81.8 Ų | 81.8 | 12% | 0.123 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -66.9 | -45.2 | 178.7 | -58.8 | 0 | 0 | 0 | 0 | 111.6 | W6 R10 S122 Q123 L124 K128 R129 H130 | W6-T126 HydrophobicContact CH2-CG2 3.79Å; W6-T126 HydrophobicContact CZ2-CG2 3.78Å; R10-T126 HydrophobicContact CG-CG2 4.2Å; S122-T126 WeakPolarHBondContact O-CB 3.17Å; S122-T126 PolarHBondContact O-N 2.9Å; S122-T126 PolarHBondContact O-OG1 2.99Å; Q123-T126 PolarHBondContact O-N 2.86Å; L124-T126 VanDerWaalsContact C-N 3.32Å; L124-T126 PolarHBondContact O-N 3.15Å; T126-K128 VanDerWaalsContact C-N 3.31Å; T126-K128 PolarHBondContact O-N 3.26Å; T126-R129 PolarHBondContact O-N 3.27Å; T126-H130 PolarHBondContact O-CD2 2.79Å; T126-H130 PolarHBondContact O-N 2.97Å |
| 127 | A | 80.2 | Confident | 78.6 | Confident | 7 Ų | 7 | 78.3 Ų | 78.3 | 6% | 0.058 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.7 | -39.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | M89 Q123 L124 H130 R131 | M89-A127 HydrophobicContact CB-CB 4.5Å; Q123-A127 WeakPolarHBondContact O-CB 3.45Å; Q123-A127 PolarHBondContact O-N 3.16Å; L124-A127 PolarHBondContact O-N 3.22Å; A127-H130 PolarHBondContact O-N 3.44Å; A127-R131 PolarHBondContact O-N 2.82Å |
| 128 | K | 82.4 | Confident | 80.1 | Confident | 124 Ų | 124 | 76.5 Ų | 76.5 | 54% | 0.539 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.9 | -47 | 173.4 | -174.1 | -173.6 | 175.6 | -162.4 | 0 | 111.6 | L124 H125 T126 H130 R131 E132 | L124-K128 WeakPolarHBondContact O-CB 3.18Å; L124-K128 PolarHBondContact O-N 2.7Å; H125-K128 PolarHBondContact O-N 2.97Å; T126-K128 VanDerWaalsContact C-N 3.31Å; T126-K128 PolarHBondContact O-N 3.26Å; K128-H130 VanDerWaalsContact C-N 3.34Å; K128-H130 PolarHBondContact O-N 2.8Å; K128-R131 WeakPolarHBondContact O-CB 3.45Å; K128-R131 PolarHBondContact O-N 3.41Å; K128-R131 VanDerWaalsContact O-N 3.12Å; K128-E132 VanDerWaalsContact CE-OE1 3.24Å; K128-E132 WeakPolarHBondContact CE-OE1 3.3Å; K128-E132 IonicContact NZ-OE1 3.86Å; K128-E132 PolarHBondContact O-N 2.86Å; K128-E132 VanDerWaalsContact O-N 3.09Å |
| 129 | R | 84.1 | Confident | 81.6 | Confident | 151 Ų | 151 | 77.9 Ų | 77.9 | 57% | 0.57 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -58.5 | -44.1 | 177 | 179.6 | 179.2 | 175.2 | 166 | 0.4 | 111.7 | H125 T126 R131 E132 I133 | H125-R129 WeakPolarHBondContact O-CB 3.27Å; H125-R129 PolarHBondContact O-N 2.99Å; T126-R129 PolarHBondContact O-N 3.27Å; R129-R131 VanDerWaalsContact C-N 3.27Å; R129-R131 PolarHBondContact O-N 3.37Å; R129-E132 PolarHBondContact O-N 3.29Å; R129-E132 VanDerWaalsContact O-N 3.14Å; R129-I133 HydrophobicContact CG-CD1 3.8Å; R129-I133 HydrophobicContact CG-CG1 4.36Å; R129-I133 WeakPolarHBondContact O-CG1 3.45Å; R129-I133 PolarHBondContact O-N 3.45Å |
| 130 | H | 86.1 | Confident | 82.6 | Confident | 8 Ų | 8 | 80.3 Ų | 80.3 | 4% | 0.037 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.2 | -31.9 | 177 | -78.5 | -69.5 | 0 | 0 | 0 | 113 | A13 E17 N86 M89 T126 A127 K128 L134 | A13-H130 VanDerWaalsContact CB-CE1 3.45Å; A13-H130 WeakPolarHBondContact CB-CE1 3.3Å; E17-H130 IonicContact OE1-CE1 3.66Å; E17-H130 PolarHBondContact OE1-CE1 3.24Å; E17-H130 IonicContact OE1-CG 2.68Å; E17-H130 IonicContact OE1-ND1 3.37Å; E17-H130 PolarHBondContact OE1-ND1 2.93Å; E17-H130 IonicContact OE2-CE1 3.33Å; E17-H130 IonicContact OE2-ND1 2.66Å; N86-H130 PolarHBondContact ND2-O 3.33Å; N86-H130 VanDerWaalsContact ND2-O 3.08Å; N86-H130 VanDerWaalsContact OD1-CB 3.25Å; N86-H130 WeakPolarHBondContact OD1-CB 3.27Å; M89-H130 HydrophobicContact CE-CB 3.87Å; T126-H130 PolarHBondContact O-CD2 2.79Å; T126-H130 PolarHBondContact O-N 2.97Å; A127-H130 PolarHBondContact O-N 3.44Å; K128-H130 VanDerWaalsContact C-N 3.34Å; K128-H130 PolarHBondContact O-N 2.8Å; H130-L134 WeakPolarHBondContact O-CB 3.32Å; H130-L134 PolarHBondContact O-N 2.89Å |
| 131 | R | 84 | Confident | 83.7 | Confident | 141 Ų | 141 | 74.7 Ų | 74.7 | 53% | 0.532 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68.4 | -38.4 | 172.3 | -72.6 | 177.2 | 173.2 | 160.3 | -4.4 | 112.7 | A127 K128 R129 R135 | A127-R131 PolarHBondContact O-N 2.82Å; K128-R131 WeakPolarHBondContact O-CB 3.45Å; K128-R131 PolarHBondContact O-N 3.41Å; K128-R131 VanDerWaalsContact O-N 3.12Å; R129-R131 VanDerWaalsContact C-N 3.27Å; R129-R131 PolarHBondContact O-N 3.37Å; R131-R135 PolarHBondContact O-N 2.97Å; R131-R135 VanDerWaalsContact O-N 3.15Å |
| 132 | E | 86.6 | Confident | 84.6 | Confident | 97 Ų | 97 | 76.2 Ų | 76.2 | 45% | 0.453 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.4 | -47.9 | 175 | -69.6 | 171 | -179 | 0 | 0 | 110.4 | K128 R129 L134 R135 D136 | K128-E132 VanDerWaalsContact CE-OE1 3.24Å; K128-E132 WeakPolarHBondContact CE-OE1 3.3Å; K128-E132 IonicContact NZ-OE1 3.86Å; K128-E132 PolarHBondContact O-N 2.86Å; K128-E132 VanDerWaalsContact O-N 3.09Å; R129-E132 PolarHBondContact O-N 3.29Å; R129-E132 VanDerWaalsContact O-N 3.14Å; E132-L134 PolarHBondContact O-N 3.38Å; E132-R135 WeakPolarHBondContact O-CA 3.49Å; E132-R135 VanDerWaalsContact O-CB 3.3Å; E132-R135 WeakPolarHBondContact O-CB 3.44Å; E132-R135 PolarHBondContact O-N 2.71Å; E132-D136 PolarHBondContact O-N 2.69Å |
| 133 | I | 87.3 | Confident | 85.3 | Confident | 32 Ų | 32 | 77.2 Ų | 77.2 | 16% | 0.164 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.1 | -45.6 | 177.5 | -68.3 | 169.2 | 0 | 0 | 0 | 111.7 | E17 R129 R135 D136 Y137 | E17-I133 HydrophobicContact CG-CG2 4.01Å; E17-I133 WeakPolarHBondContact OE1-CG2 3.49Å; R129-I133 HydrophobicContact CG-CD1 3.8Å; R129-I133 HydrophobicContact CG-CG1 4.36Å; R129-I133 WeakPolarHBondContact O-CG1 3.45Å; R129-I133 PolarHBondContact O-N 3.45Å; I133-R135 VanDerWaalsContact C-N 3.27Å; I133-R135 PolarHBondContact O-N 3.33Å; I133-D136 PolarHBondContact O-N 3.38Å; I133-Y137 HydrophobicContact CG2-CD2 3.47Å; I133-Y137 VanDerWaalsContact CG2-CD2 3.47Å; I133-Y137 HydrophobicContact CG2-CE2 3.11Å; I133-Y137 WeakPolarHBondContact O-CD2 3.49Å; I133-Y137 PolarHBondContact O-N 3.47Å |
| 134 | L | 86.9 | Confident | 85.6 | Confident | 25 Ų | 25 | 76 Ų | 76 | 13% | 0.131 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.5 | -40.4 | 175.3 | 175 | 68.6 | 0 | 0 | 0 | 111.8 | L79 L82 T83 H130 E132 D136 A138 | L79-L134 HydrophobicContact CD2-CD1 3.8Å; L82-L134 HydrophobicContact CB-CD1 4.19Å; L82-L134 HydrophobicContact CD2-CB 4.31Å; L82-L134 HydrophobicContact CD2-CD1 3.87Å; L82-L134 HydrophobicContact CG-CD1 4.07Å; T83-L134 HydrophobicContact CG2-CD2 4.36Å; T83-L134 WeakPolarHBondContact OG1-CD2 3.44Å; H130-L134 WeakPolarHBondContact O-CB 3.32Å; H130-L134 PolarHBondContact O-N 2.89Å; E132-L134 PolarHBondContact O-N 3.38Å; L134-D136 VanDerWaalsContact C-N 3.34Å; L134-A138 VanDerWaalsContact O-CB 3.3Å; L134-A138 WeakPolarHBondContact O-CB 3.26Å; L134-A138 PolarHBondContact O-N 2.77Å |
| 135 | R | 87.6 | Confident | 86.2 | Confident | 163 Ų | 163 | 74.5 Ų | 74.5 | 62% | 0.615 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -64 | -42.3 | 178 | -175.2 | -176 | -178.2 | 124.1 | 0.8 | 111 | R131 E132 I133 Q139 | R131-R135 PolarHBondContact O-N 2.97Å; R131-R135 VanDerWaalsContact O-N 3.15Å; E132-R135 WeakPolarHBondContact O-CA 3.49Å; E132-R135 VanDerWaalsContact O-CB 3.3Å; E132-R135 WeakPolarHBondContact O-CB 3.44Å; E132-R135 PolarHBondContact O-N 2.71Å; I133-R135 VanDerWaalsContact C-N 3.27Å; I133-R135 PolarHBondContact O-N 3.33Å; R135-Q139 WeakPolarHBondContact O-CB 3.34Å; R135-Q139 PolarHBondContact O-N 2.89Å |
| 136 | D | 88.8 | Confident | 86.6 | Confident | 92 Ų | 92 | 71.4 Ų | 71.4 | 49% | 0.492 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.6 | -48.8 | 178.4 | -65.5 | -16.8 | 0 | 0 | 0 | 110.6 | E132 I133 L134 A138 Q139 E140 | E132-D136 PolarHBondContact O-N 2.69Å; I133-D136 PolarHBondContact O-N 3.38Å; L134-D136 VanDerWaalsContact C-N 3.34Å; D136-A138 VanDerWaalsContact C-N 3.35Å; D136-A138 PolarHBondContact O-N 3.29Å; D136-Q139 WeakPolarHBondContact O-CB 3.5Å; D136-Q139 PolarHBondContact O-N 2.88Å; D136-E140 WeakPolarHBondContact O-CB 3.48Å; D136-E140 WeakPolarHBondContact O-CG 3.49Å; D136-E140 PolarHBondContact O-N 3.42Å |
| 137 | Y | 89.2 | Confident | 86.7 | Confident | 43 Ų | 43 | 76.4 Ų | 76.4 | 17% | 0.169 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.4 | -41.4 | 176 | -73 | -49.5 | 0 | 0 | 0 | 113.1 | E17 I20 D21 L24 I133 Q139 E140 F141 | E17-Y137 HydrophobicContact CB-CE2 3.96Å; E17-Y137 HydrophobicContact CG-CE2 3.94Å; E17-Y137 PolarHBondContact O-OH 3.19Å; I20-Y137 HydrophobicContact CG2-CD1 3.81Å; I20-Y137 HydrophobicContact CG2-CD2 4.2Å; I20-Y137 HydrophobicContact CG2-CE1 4.34Å; I20-Y137 HydrophobicContact CG2-CG 3.75Å; D21-Y137 HydrophobicContact CB-CE1 4.28Å; L24-Y137 HydrophobicContact CD1-CD1 3.66Å; L24-Y137 HydrophobicContact CD1-CE1 4.4Å; L24-Y137 HydrophobicContact CD1-CG 4.47Å; I133-Y137 HydrophobicContact CG2-CD2 3.47Å; I133-Y137 VanDerWaalsContact CG2-CD2 3.47Å; I133-Y137 HydrophobicContact CG2-CE2 3.11Å; I133-Y137 WeakPolarHBondContact O-CD2 3.49Å; I133-Y137 PolarHBondContact O-N 3.47Å; Y137-Q139 VanDerWaalsContact C-N 3.3Å; Y137-Q139 PolarHBondContact O-N 3.26Å; Y137-E140 PolarHBondContact O-N 3.06Å; Y137-F141 VanDerWaalsContact O-CB 3.3Å; Y137-F141 WeakPolarHBondContact O-CB 3.19Å; Y137-F141 PolarHBondContact O-N 3.45Å |
| 138 | A | 88.6 | Confident | 86.8 | Confident | 20 Ų | 20 | 76.4 Ų | 76.4 | 17% | 0.165 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.5 | -34.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L134 D136 R142 | L134-A138 VanDerWaalsContact O-CB 3.3Å; L134-A138 WeakPolarHBondContact O-CB 3.26Å; L134-A138 PolarHBondContact O-N 2.77Å; D136-A138 VanDerWaalsContact C-N 3.35Å; D136-A138 PolarHBondContact O-N 3.29Å; A138-R142 WeakPolarHBondContact O-CB 3.27Å; A138-R142 WeakPolarHBondContact O-CG 3.35Å; A138-R142 PolarHBondContact O-N 2.82Å; A138-R142 PolarHBondContact O-NE 3.4Å |
| 139 | Q | 89.7 | Confident | 86.9 | Confident | 98 Ų | 98 | 73.7 Ų | 73.7 | 46% | 0.458 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -69.9 | -48.3 | 174.5 | 178.8 | 175.2 | -41 | 0 | 0 | 111.5 | R135 D136 Y137 F141 R142 Q143 | R135-Q139 WeakPolarHBondContact O-CB 3.34Å; R135-Q139 PolarHBondContact O-N 2.89Å; D136-Q139 WeakPolarHBondContact O-CB 3.5Å; D136-Q139 PolarHBondContact O-N 2.88Å; Y137-Q139 VanDerWaalsContact C-N 3.3Å; Y137-Q139 PolarHBondContact O-N 3.26Å; Q139-F141 VanDerWaalsContact C-N 3.34Å; Q139-F141 PolarHBondContact O-N 3.44Å; Q139-R142 PolarHBondContact O-N 3.38Å; Q139-Q143 WeakPolarHBondContact O-CB 3.41Å; Q139-Q143 PolarHBondContact O-N 2.78Å |
| 140 | E | 88.1 | Confident | 86.9 | Confident | 90 Ų | 90 | 69.1 Ų | 69.1 | 42% | 0.421 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.7 | -43 | 177.2 | -74 | -62 | 151.3 | 0 | 0 | 111.6 | L24 D136 Y137 Q143 T144 | L24-E140 HydrophobicContact CD1-CB 4.38Å; D136-E140 WeakPolarHBondContact O-CB 3.48Å; D136-E140 WeakPolarHBondContact O-CG 3.49Å; D136-E140 PolarHBondContact O-N 3.42Å; Y137-E140 PolarHBondContact O-N 3.06Å; E140-Q143 PolarHBondContact O-N 3.5Å; E140-T144 VanDerWaalsContact O-CB 3.27Å; E140-T144 WeakPolarHBondContact O-CB 3.4Å; E140-T144 PolarHBondContact O-N 2.96Å; E140-T144 PolarHBondContact O-OG1 2.98Å |
| 141 | F | 88.4 | Confident | 86.6 | Confident | 9 Ų | 9 | 70.9 Ų | 70.9 | 4% | 0.039 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.1 | -50.8 | 174.1 | 178.2 | -116 | 0 | 0 | 0 | 111.6 | L24 F27 C72 I75 E76 L79 Y137 Q139 Q143 T144 K145 | L24-F141 HydrophobicContact CD2-CB 3.84Å; L24-F141 HydrophobicContact CD2-CD2 3.94Å; L24-F141 HydrophobicContact CD2-CG 4.39Å; F27-F141 HydrophobicContact CD1-CD2 4.45Å; F27-F141 HydrophobicContact CD1-CE2 4.41Å; F27-F141 HydrophobicContact CE1-CD2 4.27Å; F27-F141 HydrophobicContact CE1-CE2 4.01Å; F27-F141 HydrophobicContact CZ-CE2 4.06Å; C72-F141 HydrophobicContact CB-CZ 4.13Å; I75-F141 HydrophobicContact CB-CD2 4.01Å; I75-F141 HydrophobicContact CB-CE2 3.82Å; I75-F141 HydrophobicContact CB-CZ 4.37Å; I75-F141 HydrophobicContact CD1-CD2 3.91Å; I75-F141 HydrophobicContact CD1-CE2 3.84Å; I75-F141 HydrophobicContact CG1-CE2 4.43Å; I75-F141 HydrophobicContact CG2-CB 4.3Å; I75-F141 HydrophobicContact CG2-CD1 4.42Å; I75-F141 HydrophobicContact CG2-CD2 3.45Å; I75-F141 VanDerWaalsContact CG2-CD2 3.45Å; I75-F141 HydrophobicContact CG2-CE2 3.78Å; I75-F141 HydrophobicContact CG2-CG 3.79Å; I75-F141 HydrophobicContact CG2-CZ 4.38Å; E76-F141 HydrophobicContact CG-CE1 3.59Å; E76-F141 HydrophobicContact CG-CZ 3.92Å; E76-F141 WeakPolarHBondContact OE1-CE1 3.5Å; L79-F141 HydrophobicContact CD1-CB 4.4Å; L79-F141 HydrophobicContact CD1-CD1 4.28Å; L79-F141 HydrophobicContact CD1-CG 4.46Å; Y137-F141 VanDerWaalsContact O-CB 3.3Å; Y137-F141 WeakPolarHBondContact O-CB 3.19Å; Y137-F141 PolarHBondContact O-N 3.45Å; Q139-F141 VanDerWaalsContact C-N 3.34Å; Q139-F141 PolarHBondContact O-N 3.44Å; F141-Q143 VanDerWaalsContact C-N 3.33Å; F141-Q143 PolarHBondContact O-N 3.18Å; F141-T144 PolarHBondContact O-N 2.73Å; F141-K145 HydrophobicContact CE1-CD 4.06Å; F141-K145 HydrophobicContact CZ-CD 4.03Å; F141-K145 WeakPolarHBondContact O-CB 3.26Å; F141-K145 PolarHBondContact O-N 2.65Å |
| 142 | R | 89 | Confident | 86.3 | Confident | 151 Ų | 151 | 65.2 Ų | 65.2 | 57% | 0.57 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -60.7 | -42.8 | 178.4 | -77.5 | -173.5 | -65.4 | -107.3 | -3.3 | 112 | A138 Q139 A146 | A138-R142 WeakPolarHBondContact O-CB 3.27Å; A138-R142 WeakPolarHBondContact O-CG 3.35Å; A138-R142 PolarHBondContact O-N 2.82Å; A138-R142 PolarHBondContact O-NE 3.4Å; Q139-R142 PolarHBondContact O-N 3.38Å; R142-A146 WeakPolarHBondContact O-CB 3.24Å; R142-A146 PolarHBondContact O-N 2.99Å |
| 143 | Q | 88.3 | Confident | 86.1 | Confident | 85 Ų | 85 | 66 Ų | 66 | 40% | 0.397 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.6 | -44.6 | 179.4 | -171 | -178.8 | 16.3 | 0 | 0 | 111.1 | Q139 E140 F141 A146 K147 | Q139-Q143 WeakPolarHBondContact O-CB 3.41Å; Q139-Q143 PolarHBondContact O-N 2.78Å; E140-Q143 PolarHBondContact O-N 3.5Å; F141-Q143 VanDerWaalsContact C-N 3.33Å; F141-Q143 PolarHBondContact O-N 3.18Å; Q143-A146 PolarHBondContact O-N 2.71Å; Q143-K147 HydrophobicContact CG-CD 4.45Å; Q143-K147 VanDerWaalsContact O-CG 3.3Å; Q143-K147 WeakPolarHBondContact O-CG 3.32Å; Q143-K147 PolarHBondContact O-N 2.93Å |
| 144 | T | 84.8 | Confident | 85.8 | Confident | 25 Ų | 25 | 72.9 Ų | 72.9 | 15% | 0.153 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.7 | -43.2 | 178.6 | -56 | 0 | 0 | 0 | 0 | 111 | F27 E140 F141 A146 K147 L148 | F27-T144 HydrophobicContact CD1-CG2 3.67Å; F27-T144 HydrophobicContact CE1-CG2 4.09Å; E140-T144 VanDerWaalsContact O-CB 3.27Å; E140-T144 WeakPolarHBondContact O-CB 3.4Å; E140-T144 PolarHBondContact O-N 2.96Å; E140-T144 PolarHBondContact O-OG1 2.98Å; F141-T144 PolarHBondContact O-N 2.73Å; T144-A146 PolarHBondContact O-N 2.85Å; T144-K147 PolarHBondContact O-N 3.32Å; T144-L148 VanDerWaalsContact O-CB 3.23Å; T144-L148 WeakPolarHBondContact O-CB 3.37Å; T144-L148 PolarHBondContact O-N 3.28Å |
| 145 | K | 88.5 | Confident | 85.3 | Confident | 59 Ų | 59 | 75.6 Ų | 75.6 | 26% | 0.257 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -57.6 | -46.6 | 174.7 | -171.9 | 176.9 | -171.2 | 172.4 | 0 | 111.4 | F27 F68 E76 F141 L148 I149 | F27-K145 HydrophobicContact CE1-CB 4.11Å; F27-K145 HydrophobicContact CZ-CB 4.32Å; F27-K145 HydrophobicContact CZ-CG 4.44Å; F68-K145 HydrophobicContact CE2-CG 4.42Å; F68-K145 HydrophobicContact CZ-CG 3.87Å; E76-K145 IonicContact OE1-NZ 3.85Å; E76-K145 PolarHBondContact OE1-NZ 3.47Å; F141-K145 HydrophobicContact CE1-CD 4.06Å; F141-K145 HydrophobicContact CZ-CD 4.03Å; F141-K145 WeakPolarHBondContact O-CB 3.26Å; F141-K145 PolarHBondContact O-N 2.65Å; K145-L148 PolarHBondContact O-N 3.47Å; K145-I149 HydrophobicContact CG-CD1 4.09Å; K145-I149 WeakPolarHBondContact O-CG1 3.33Å; K145-I149 PolarHBondContact O-N 3.34Å |
| 146 | A | 85.4 | Confident | 84.8 | Confident | 59 Ų | 59 | 71.6 Ų | 71.6 | 49% | 0.488 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.3 | -43.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R142 Q143 T144 L148 A150 | R142-A146 WeakPolarHBondContact O-CB 3.24Å; R142-A146 PolarHBondContact O-N 2.99Å; Q143-A146 PolarHBondContact O-N 2.71Å; T144-A146 PolarHBondContact O-N 2.85Å; A146-L148 VanDerWaalsContact C-N 3.27Å; A146-L148 PolarHBondContact O-N 2.86Å; A146-A150 WeakPolarHBondContact O-CB 3.5Å; A146-A150 PolarHBondContact O-N 3.24Å |
| 147 | K | 86 | Confident | 84.4 | Confident | 125 Ų | 125 | 73.2 Ų | 73.2 | 54% | 0.543 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.8 | -41.7 | 174.5 | -74.4 | 170.8 | -179.3 | 169.2 | 0 | 111.5 | Q143 T144 A150 A151 | Q143-K147 HydrophobicContact CG-CD 4.45Å; Q143-K147 VanDerWaalsContact O-CG 3.3Å; Q143-K147 WeakPolarHBondContact O-CG 3.32Å; Q143-K147 PolarHBondContact O-N 2.93Å; T144-K147 PolarHBondContact O-N 3.32Å; K147-A150 PolarHBondContact O-N 3.24Å; K147-A151 WeakPolarHBondContact O-CB 3.31Å; K147-A151 PolarHBondContact O-N 3.17Å |
| 148 | L | 83.3 | Confident | 83.8 | Confident | 8 Ų | 8 | 74.9 Ų | 74.9 | 4% | 0.042 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -69.3 | -43.3 | -176.4 | -171.3 | 47 | 0 | 0 | 0 | 112.1 | F27 I30 G31 F64 F68 T144 K145 A146 A151 R152 | F27-L148 HydrophobicContact CD1-CD2 4.39Å; F27-L148 HydrophobicContact CD2-CD2 4.48Å; F27-L148 HydrophobicContact CE1-CD2 4.02Å; F27-L148 HydrophobicContact CE2-CD2 4.12Å; F27-L148 HydrophobicContact CZ-CD2 3.88Å; I30-L148 HydrophobicContact CB-CD2 4.45Å; G31-L148 VanDerWaalsContact N-CD1 3.34Å; F64-L148 HydrophobicContact CE2-CD1 3.82Å; F64-L148 HydrophobicContact CE2-CG 4.44Å; F64-L148 HydrophobicContact CZ-CD1 3.54Å; F64-L148 HydrophobicContact CZ-CD2 4.42Å; F64-L148 HydrophobicContact CZ-CG 3.8Å; F68-L148 HydrophobicContact CD2-CD2 3.43Å; F68-L148 VanDerWaalsContact CD2-CD2 3.43Å; F68-L148 HydrophobicContact CD2-CG 3.79Å; F68-L148 HydrophobicContact CE2-CB 4.06Å; F68-L148 HydrophobicContact CE2-CD2 3.53Å; F68-L148 HydrophobicContact CE2-CG 3.64Å; T144-L148 VanDerWaalsContact O-CB 3.23Å; T144-L148 WeakPolarHBondContact O-CB 3.37Å; T144-L148 PolarHBondContact O-N 3.28Å; K145-L148 PolarHBondContact O-N 3.47Å; A146-L148 VanDerWaalsContact C-N 3.27Å; A146-L148 PolarHBondContact O-N 2.86Å; L148-A151 PolarHBondContact O-N 3.04Å; L148-R152 WeakPolarHBondContact O-CB 3.41Å; L148-R152 PolarHBondContact O-N 3.42Å |
| 149 | I | 84.5 | Confident | 83 | Confident | 67 Ų | 67 | 75.4 Ų | 75.4 | 34% | 0.344 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.1 | -46.9 | 173.6 | -67.2 | 166 | 0 | 0 | 0 | 110.7 | F68 K145 A151 R152 E153 | F68-I149 HydrophobicContact CE1-CG1 4.45Å; F68-I149 HydrophobicContact CE2-CG1 4.49Å; F68-I149 HydrophobicContact CZ-CD1 4.09Å; F68-I149 HydrophobicContact CZ-CG1 3.79Å; K145-I149 HydrophobicContact CG-CD1 4.09Å; K145-I149 WeakPolarHBondContact O-CG1 3.33Å; K145-I149 PolarHBondContact O-N 3.34Å; I149-A151 VanDerWaalsContact C-N 3.31Å; I149-A151 PolarHBondContact O-N 3.34Å; I149-R152 WeakPolarHBondContact O-CB 3.47Å; I149-R152 PolarHBondContact O-N 3.32Å; I149-R152 VanDerWaalsContact O-N 3.07Å; I149-E153 HydrophobicContact CG2-CG 4.34Å; I149-E153 WeakPolarHBondContact CG2-OE1 3.49Å; I149-E153 WeakPolarHBondContact O-CG 3.3Å; I149-E153 PolarHBondContact O-N 3.25Å |
| 150 | A | 83.4 | Confident | 82 | Confident | 55 Ų | 55 | 73.6 Ų | 73.6 | 46% | 0.455 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.3 | -37.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A146 K147 R152 R154 | A146-A150 WeakPolarHBondContact O-CB 3.5Å; A146-A150 PolarHBondContact O-N 3.24Å; K147-A150 PolarHBondContact O-N 3.24Å; A150-R152 VanDerWaalsContact C-N 3.35Å; A150-R154 WeakPolarHBondContact O-CB 3.34Å; A150-R154 PolarHBondContact O-N 3.07Å |
| 151 | A | 80.4 | Confident | 81.3 | Confident | 44 Ų | 44 | 73.3 Ų | 73.3 | 36% | 0.364 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.8 | -40.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | K147 L148 I149 R154 E155 | K147-A151 WeakPolarHBondContact O-CB 3.31Å; K147-A151 PolarHBondContact O-N 3.17Å; L148-A151 PolarHBondContact O-N 3.04Å; I149-A151 VanDerWaalsContact C-N 3.31Å; I149-A151 PolarHBondContact O-N 3.34Å; A151-R154 WeakPolarHBondContact O-CB 3.32Å; A151-R154 PolarHBondContact O-N 3.37Å; A151-E155 PolarHBondContact O-N 2.86Å |
| 152 | R | 78.3 | Confident | 80.2 | Confident | 23 Ų | 23 | 80.3 Ų | 80.3 | 9% | 0.087 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -67.8 | -44 | 178 | -176 | 55.8 | 172.6 | -179.6 | -4.2 | 112.7 | N61 F64 L148 I149 A150 R154 E155 N156 | N61-R152 VanDerWaalsContact CA-NH2 3.29Å; N61-R152 PolarHBondContact ND2-NH2 2.81Å; N61-R152 PolarHBondContact O-NH2 3.27Å; N61-R152 PolarHBondContact OD1-NH2 3.44Å; F64-R152 HydrophobicContact CD1-CG 4.2Å; F64-R152 HydrophobicContact CE1-CB 4.03Å; F64-R152 HydrophobicContact CE1-CG 3.79Å; F64-R152 HydrophobicContact CZ-CB 4.3Å; F64-R152 HydrophobicContact CZ-CG 4.48Å; L148-R152 WeakPolarHBondContact O-CB 3.41Å; L148-R152 PolarHBondContact O-N 3.42Å; I149-R152 WeakPolarHBondContact O-CB 3.47Å; I149-R152 PolarHBondContact O-N 3.32Å; I149-R152 VanDerWaalsContact O-N 3.07Å; A150-R152 VanDerWaalsContact C-N 3.35Å; R152-R154 VanDerWaalsContact C-N 3.29Å; R152-R154 PolarHBondContact O-N 2.81Å; R152-E155 IonicContact CZ-OE2 3.24Å; R152-E155 IonicContact NH1-OE1 3.74Å; R152-E155 PolarHBondContact NH1-OE1 3.32Å; R152-E155 IonicContact NH1-OE2 2.64Å; R152-E155 PolarHBondContact NH1-OE2 3.41Å; R152-E155 PolarHBondContact O-N 2.89Å; R152-E155 VanDerWaalsContact O-N 3.17Å; R152-N156 PolarHBondContact O-N 3.12Å; R152-N156 PolarHBondContact O-ND2 3.33Å |
| 153 | E | 81.4 | Confident | 79.2 | Confident | 113 Ų | 113 | 82.5 Ų | 82.5 | 53% | 0.528 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -58 | -44.3 | 173.4 | -73.2 | 173.5 | -175.7 | 0 | 0 | 110.6 | I149 E155 N156 L157 | I149-E153 HydrophobicContact CG2-CG 4.34Å; I149-E153 WeakPolarHBondContact CG2-OE1 3.49Å; I149-E153 WeakPolarHBondContact O-CG 3.3Å; I149-E153 PolarHBondContact O-N 3.25Å; E153-E155 VanDerWaalsContact C-N 3.35Å; E153-E155 PolarHBondContact O-N 3.48Å; E153-N156 PolarHBondContact O-N 3.47Å; E153-L157 WeakPolarHBondContact O-CB 3.48Å; E153-L157 VanDerWaalsContact O-CG 3.23Å; E153-L157 WeakPolarHBondContact O-CG 3.26Å; E153-L157 PolarHBondContact O-N 3.3Å |
| 154 | R | 80.4 | Confident | 77.9 | Confident | 176 Ų | 176 | 82.6 Ų | 82.6 | 66% | 0.664 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -59.3 | -43.9 | 174.4 | -179.2 | -175.1 | 174.3 | 117 | 0.8 | 112.1 | A150 A151 R152 L157 L158 | A150-R154 WeakPolarHBondContact O-CB 3.34Å; A150-R154 PolarHBondContact O-N 3.07Å; A151-R154 WeakPolarHBondContact O-CB 3.32Å; A151-R154 PolarHBondContact O-N 3.37Å; R152-R154 VanDerWaalsContact C-N 3.29Å; R152-R154 PolarHBondContact O-N 2.81Å; R154-L157 PolarHBondContact O-N 2.83Å; R154-L158 HydrophobicContact CG-CD1 4.2Å; R154-L158 VanDerWaalsContact O-CG 3.31Å; R154-L158 WeakPolarHBondContact O-CG 3.49Å; R154-L158 PolarHBondContact O-N 3.05Å |
| 155 | E | 76.1 | Confident | 76.8 | Confident | 83 Ų | 83 | 85.1 Ų | 85.1 | 39% | 0.388 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 177.1 | -170.3 | -169.8 | 168.1 | 0 | 0 | 111.7 | A151 R152 E153 L157 L158 G159 | A151-E155 PolarHBondContact O-N 2.86Å; R152-E155 IonicContact CZ-OE2 3.24Å; R152-E155 IonicContact NH1-OE1 3.74Å; R152-E155 PolarHBondContact NH1-OE1 3.32Å; R152-E155 IonicContact NH1-OE2 2.64Å; R152-E155 PolarHBondContact NH1-OE2 3.41Å; R152-E155 PolarHBondContact O-N 2.89Å; R152-E155 VanDerWaalsContact O-N 3.17Å; E153-E155 VanDerWaalsContact C-N 3.35Å; E153-E155 PolarHBondContact O-N 3.48Å; E155-L157 VanDerWaalsContact C-N 3.33Å; E155-L157 PolarHBondContact O-N 3.27Å; E155-L158 PolarHBondContact O-N 3.31Å; E155-G159 PolarHBondContact O-N 2.66Å |
| 156 | N | 77.9 | Confident | 75.5 | Confident | 78 Ų | 78 | 87.3 Ų | 87.3 | 42% | 0.417 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.8 | -41 | 176.8 | -74 | -26.3 | 0 | 0 | 0 | 111.8 | R152 E153 G159 S160 | R152-N156 PolarHBondContact O-N 3.12Å; R152-N156 PolarHBondContact O-ND2 3.33Å; E153-N156 PolarHBondContact O-N 3.47Å; N156-G159 PolarHBondContact O-N 3.5Å; N156-S160 PolarHBondContact O-N 2.97Å; N156-S160 VanDerWaalsContact O-N 3.11Å |
| 157 | L | 80.5 | Confident | 74.3 | Confident | 126 Ų | 126 | 87 Ų | 87 | 66% | 0.66 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -63.7 | -45.5 | 175 | -69.5 | 171.7 | 0 | 0 | 0 | 111.7 | E153 R154 E155 S160 V161 | E153-L157 WeakPolarHBondContact O-CB 3.48Å; E153-L157 VanDerWaalsContact O-CG 3.23Å; E153-L157 WeakPolarHBondContact O-CG 3.26Å; E153-L157 PolarHBondContact O-N 3.3Å; R154-L157 PolarHBondContact O-N 2.83Å; E155-L157 VanDerWaalsContact C-N 3.33Å; E155-L157 PolarHBondContact O-N 3.27Å; L157-S160 PolarHBondContact O-N 3.03Å; L157-V161 PolarHBondContact O-N 3.46Å |
| 158 | L | 76.6 | Confident | 73 | Confident | 79 Ų | 79 | 85.3 Ų | 85.3 | 41% | 0.414 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -67.1 | -39.6 | 176.9 | -69.3 | 175 | 0 | 0 | 0 | 111.9 | R154 E155 S160 V161 Y162 | R154-L158 HydrophobicContact CG-CD1 4.2Å; R154-L158 VanDerWaalsContact O-CG 3.31Å; R154-L158 WeakPolarHBondContact O-CG 3.49Å; R154-L158 PolarHBondContact O-N 3.05Å; E155-L158 PolarHBondContact O-N 3.31Å; L158-S160 VanDerWaalsContact C-N 3.29Å; L158-S160 PolarHBondContact O-N 3.44Å; L158-V161 PolarHBondContact O-N 3.14Å; L158-V161 VanDerWaalsContact O-N 3.11Å; L158-Y162 HydrophobicContact CB-CD2 4.45Å; L158-Y162 HydrophobicContact CB-CE2 4.28Å; L158-Y162 WeakPolarHBondContact O-CD2 3.23Å; L158-Y162 PolarHBondContact O-N 3.28Å |
| 159 | G | 71 | Confident | 71.7 | Confident | 30 Ų | 30 | 88.1 Ų | 88.1 | 31% | 0.309 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.6 | -37.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E155 N156 R163 | E155-G159 PolarHBondContact O-N 2.66Å; N156-G159 PolarHBondContact O-N 3.5Å; G159-R163 WeakPolarHBondContact O-CB 3.43Å; G159-R163 WeakPolarHBondContact O-CG 3.49Å; G159-R163 PolarHBondContact O-N 3.41Å; G159-R163 VanDerWaalsContact O-N 3.09Å |
| 160 | S | 70.5 | Confident | 70.5 | Confident | 61 Ų | 61 | 89.5 Ų | 89.5 | 43% | 0.427 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.4 | -48.5 | 171.9 | -164.9 | 0 | 0 | 0 | 0 | 111.3 | N156 L157 L158 Y162 R163 D164 | N156-S160 PolarHBondContact O-N 2.97Å; N156-S160 VanDerWaalsContact O-N 3.11Å; L157-S160 PolarHBondContact O-N 3.03Å; L158-S160 VanDerWaalsContact C-N 3.29Å; L158-S160 PolarHBondContact O-N 3.44Å; S160-Y162 VanDerWaalsContact C-N 3.34Å; S160-Y162 PolarHBondContact O-N 2.87Å; S160-R163 PolarHBondContact O-N 3.18Å; S160-R163 VanDerWaalsContact O-N 3.11Å; S160-D164 WeakPolarHBondContact O-CB 3.41Å; S160-D164 PolarHBondContact O-N 2.96Å; S160-D164 PolarHBondContact OG-OD2 3.09Å |
| 161 | V | 71.6 | Confident | 69 | Low | 84 Ų | 84 | 93.4 Ų | 93.4 | 51% | 0.509 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.3 | -41.9 | -179.1 | 175.9 | 0 | 0 | 0 | 0 | 111.9 | L157 L158 D164 T165 | L157-V161 PolarHBondContact O-N 3.46Å; L158-V161 PolarHBondContact O-N 3.14Å; L158-V161 VanDerWaalsContact O-N 3.11Å; V161-D164 PolarHBondContact O-N 3.45Å; V161-T165 WeakPolarHBondContact O-CB 3.36Å; V161-T165 PolarHBondContact O-N 3.18Å; V161-T165 PolarHBondContact O-OG1 3.49Å |
| 162 | Y | 66.6 | Low | 67.9 | Low | 155 Ų | 155 | 98.6 Ų | 98.6 | 61% | 0.608 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.4 | -38.5 | 176.2 | -75.4 | -70.5 | 0 | 0 | 0 | 112.4 | L158 S160 N166 | L158-Y162 HydrophobicContact CB-CD2 4.45Å; L158-Y162 HydrophobicContact CB-CE2 4.28Å; L158-Y162 WeakPolarHBondContact O-CD2 3.23Å; L158-Y162 PolarHBondContact O-N 3.28Å; S160-Y162 VanDerWaalsContact C-N 3.34Å; S160-Y162 PolarHBondContact O-N 2.87Å; Y162-N166 WeakPolarHBondContact O-CB 3.39Å; Y162-N166 PolarHBondContact O-N 2.91Å |
| 163 | R | 67.1 | Low | 66.6 | Low | 197 Ų | 197 | 102 Ų | 102 | 74% | 0.743 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.1 | -41.4 | 176.5 | -72.5 | 174.3 | 75.9 | 142.7 | 5.9 | 111.9 | G159 S160 N166 S167 | G159-R163 WeakPolarHBondContact O-CB 3.43Å; G159-R163 WeakPolarHBondContact O-CG 3.49Å; G159-R163 PolarHBondContact O-N 3.41Å; G159-R163 VanDerWaalsContact O-N 3.09Å; S160-R163 PolarHBondContact O-N 3.18Å; S160-R163 VanDerWaalsContact O-N 3.11Å; R163-N166 PolarHBondContact O-N 3.48Å; R163-S167 WeakPolarHBondContact O-CB 3.38Å; R163-S167 PolarHBondContact O-N 2.98Å; R163-S167 PolarHBondContact O-OG 3.12Å |
| 164 | D | 61.1 | Low | 65.3 | Low | 88 Ų | 88 | 99.7 Ų | 99.7 | 47% | 0.471 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -71.3 | -35.2 | 179.3 | -64.3 | -27.8 | 0 | 0 | 0 | 111.9 | S160 V161 S167 T168 | S160-D164 WeakPolarHBondContact O-CB 3.41Å; S160-D164 PolarHBondContact O-N 2.96Å; S160-D164 PolarHBondContact OG-OD2 3.09Å; V161-D164 PolarHBondContact O-N 3.45Å; D164-S167 WeakPolarHBondContact CA-OG 3.41Å; D164-S167 PolarHBondContact O-OG 3.27Å; D164-T168 WeakPolarHBondContact O-CB 3.35Å; D164-T168 PolarHBondContact O-N 2.72Å; D164-T168 VanDerWaalsContact O-N 3.09Å; D164-T168 PolarHBondContact O-OG1 2.97Å |
| 165 | T | 62.4 | Low | 63.5 | Low | 78 Ų | 78 | 97.4 Ų | 97.4 | 48% | 0.479 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.9 | -46.1 | 173.7 | -54.9 | 0 | 0 | 0 | 0 | 110.3 | V161 S167 T168 T169 | V161-T165 WeakPolarHBondContact O-CB 3.36Å; V161-T165 PolarHBondContact O-N 3.18Å; V161-T165 PolarHBondContact O-OG1 3.49Å; T165-S167 PolarHBondContact O-N 2.81Å; T165-T168 PolarHBondContact O-N 3.24Å; T165-T169 WeakPolarHBondContact O-CG2 3.32Å; T165-T169 PolarHBondContact O-N 2.92Å; T165-T169 PolarHBondContact O-OG1 3.39Å |
| 166 | N | 61.8 | Low | 62.4 | Low | 104 Ų | 104 | 103.2 Ų | 103.2 | 56% | 0.556 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.6 | -41.7 | 179.7 | -164.7 | 52.4 | 0 | 0 | 0 | 111.7 | Y162 R163 T168 T169 V170 | Y162-N166 WeakPolarHBondContact O-CB 3.39Å; Y162-N166 PolarHBondContact O-N 2.91Å; R163-N166 PolarHBondContact O-N 3.48Å; N166-T168 VanDerWaalsContact C-N 3.28Å; N166-T168 PolarHBondContact O-N 2.9Å; N166-T169 WeakPolarHBondContact CA-OG1 3.45Å; N166-T169 PolarHBondContact O-N 2.9Å; N166-T169 PolarHBondContact O-OG1 3.24Å; N166-V170 WeakPolarHBondContact O-CG2 3.31Å; N166-V170 PolarHBondContact O-N 3.03Å; N166-V170 VanDerWaalsContact O-N 3.09Å |
| 167 | S | 60 | Low | 61.2 | Low | 54 Ų | 54 | 104.7 Ų | 104.7 | 38% | 0.378 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.6 | -31.9 | 177.5 | 71.5 | 0 | 0 | 0 | 0 | 112.8 | R163 D164 T165 N171 | R163-S167 WeakPolarHBondContact O-CB 3.38Å; R163-S167 PolarHBondContact O-N 2.98Å; R163-S167 PolarHBondContact O-OG 3.12Å; D164-S167 WeakPolarHBondContact CA-OG 3.41Å; D164-S167 PolarHBondContact O-OG 3.27Å; T165-S167 PolarHBondContact O-N 2.81Å; S167-N171 PolarHBondContact O-ND2 2.93Å |
| 168 | T | 57.9 | Low | 59.6 | Low | 88 Ų | 88 | 103.6 Ų | 103.6 | 54% | 0.54 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -75.3 | -38 | 175.3 | -53.5 | 0 | 0 | 0 | 0 | 111.2 | D164 T165 N166 N171 L172 | D164-T168 WeakPolarHBondContact O-CB 3.35Å; D164-T168 PolarHBondContact O-N 2.72Å; D164-T168 VanDerWaalsContact O-N 3.09Å; D164-T168 PolarHBondContact O-OG1 2.97Å; T165-T168 PolarHBondContact O-N 3.24Å; N166-T168 VanDerWaalsContact C-N 3.28Å; N166-T168 PolarHBondContact O-N 2.9Å; T168-N171 PolarHBondContact O-N 3.19Å; T168-L172 PolarHBondContact O-N 3.33Å |
| 169 | T | 57.2 | Low | 58.2 | Low | 68 Ų | 68 | 109.4 Ų | 109.4 | 42% | 0.417 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -71.1 | -33.3 | 179.7 | 52.2 | 0 | 0 | 0 | 0 | 114.1 | T165 N166 N171 L172 S173 | T165-T169 WeakPolarHBondContact O-CG2 3.32Å; T165-T169 PolarHBondContact O-N 2.92Å; T165-T169 PolarHBondContact O-OG1 3.39Å; N166-T169 WeakPolarHBondContact CA-OG1 3.45Å; N166-T169 PolarHBondContact O-N 2.9Å; N166-T169 PolarHBondContact O-OG1 3.24Å; T169-N171 VanDerWaalsContact C-N 3.3Å; T169-N171 PolarHBondContact O-N 3.31Å; T169-L172 PolarHBondContact O-N 2.79Å; T169-S173 PolarHBondContact O-N 2.74Å; T169-S173 PolarHBondContact O-OG 3.49Å |
| 170 | V | 57.4 | Low | 56.9 | Low | 96 Ų | 96 | 112.9 Ų | 112.9 | 58% | 0.582 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.1 | -28.3 | 172.9 | -95.3 | 0 | 0 | 0 | 0 | 112.8 | N166 | N166-V170 WeakPolarHBondContact O-CG2 3.31Å; N166-V170 PolarHBondContact O-N 3.03Å; N166-V170 VanDerWaalsContact O-N 3.09Å |
| 171 | N | 53.2 | Low | 55.6 | Low | 137 Ų | 137 | 118.5 Ų | 118.5 | 73% | 0.733 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -83.5 | -19.4 | 175.8 | -71.6 | -41.4 | 0 | 0 | 0 | 113.5 | S167 T168 T169 | S167-N171 PolarHBondContact O-ND2 2.93Å; T168-N171 PolarHBondContact O-N 3.19Å; T169-N171 VanDerWaalsContact C-N 3.3Å; T169-N171 PolarHBondContact O-N 3.31Å |
| 172 | L | 57.6 | Low | 54.4 | Low | 152 Ų | 152 | 118.3 Ų | 118.3 | 80% | 0.796 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -4.7 | 173.3 | -144.3 | 72.4 | 0 | 0 | 0 | 113.4 | T168 T169 | T168-L172 PolarHBondContact O-N 3.33Å; T169-L172 PolarHBondContact O-N 2.79Å |
| 173 | S | 50.6 | Low | 53.7 | Low | 96 Ų | 96 | 117.3 Ų | 117.3 | 67% | 0.671 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | 7.9 | 177.1 | -53.4 | 0 | 0 | 0 | 0 | 113.2 | T169 D175 | T169-S173 PolarHBondContact O-N 2.74Å; T169-S173 PolarHBondContact O-OG 3.49Å; S173-D175 PolarHBondContact O-N 3Å |
| 174 | G | 53.2 | Low | 53.4 | Low | 63 Ų | 63 | 113.6 Ų | 113.6 | 65% | 0.649 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -78.1 | 93.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 175 | D | 43.4 | Very low | 52.9 | Low | 128 Ų | 128 | 116 Ų | 116 | 68% | 0.684 | 66% | 0.662 | S | S | * | * | trans | 62.9 | 76 | 145.3 | -157.5 | 15.3 | 0 | 0 | 0 | 117.2 | S173 T177 | S173-D175 PolarHBondContact O-N 3Å; D175-T177 PolarHBondContact OD1-N 3.03Å; D175-T177 PolarHBondContact OD1-OG1 3.05Å | ||
| 176 | F | 53.3 | Low | 52.6 | Low | 205 Ų | 205 | 117.4 Ų | 117.4 | 90% | 0.899 | 68% | 0.675 | S | S | * | * | trans | -104.5 | 56.5 | 150.6 | -167 | -99 | 0 | 0 | 0 | 108.5 | ||||
| 177 | T | 52 | Low | 52.3 | Low | 110 Ų | 110 | 118.8 Ų | 118.8 | 68% | 0.675 | 69% | 0.693 | S | S | * | * | trans | -98.2 | 93.4 | 166 | 1.4 | 0 | 0 | 0 | 0 | 108.3 | D175 K179 | D175-T177 PolarHBondContact OD1-N 3.03Å; D175-T177 PolarHBondContact OD1-OG1 3.05Å; T177-K179 PolarHBondContact O-N 2.99Å | ||
| 178 | S | 46.4 | Very low | 51.8 | Low | 103 Ų | 103 | 119.9 Ų | 119.9 | 72% | 0.72 | 71% | 0.712 | S | S | * | * | trans | -44.2 | 105.2 | 164.9 | 50.2 | 0 | 0 | 0 | 0 | 110.8 | P180 | S178-P180 WeakPolarHBondContact O-CD 3.42Š| ||
| 179 | K | 48.8 | Very low | 51.7 | Low | 200 Ų | 200 | 119.6 Ų | 119.6 | 87% | 0.87 | 73% | 0.727 | S | S | * | * | trans | -104.7 | 104.3 | 167.2 | -159.2 | 179 | -174.8 | -175.6 | 0 | 107.9 | T177 | T177-K179 PolarHBondContact O-N 2.99Š| ||
| 180 | P | 43 | Very low | 51.6 | Low | 104 Ų | 104 | 123.5 Ų | 123.5 | 68% | 0.675 | 75% | 0.745 | S | S | * | * | trans | -80.1 | 150.8 | 166.4 | 32.6 | -28.6 | 0 | 0 | 0 | 109.3 | S178 | S178-P180 WeakPolarHBondContact O-CD 3.42Š| ||
| 181 | Q | 42.3 | Very low | 51.3 | Low | 178 Ų | 178 | 128.8 Ų | 128.8 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | 103.4 | 121 | 142.5 | -150.6 | 168.7 | -62.5 | 0 | 0 | 118.9 | ||||
| 182 | S | 47.1 | Very low | 51.2 | Low | 80 Ų | 80 | 133 Ų | 133 | 56% | 0.559 | 77% | 0.769 | S | S | * | * | trans | 68.5 | 113.1 | 143.7 | 70 | 0 | 0 | 0 | 0 | 120 | ||||
| 183 | D | 51.4 | Low | 51 | Low | 135 Ų | 135 | 130.9 Ų | 130.9 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | 138.9 | 106 | 123 | -63.3 | -41.7 | 0 | 0 | 0 | 112.1 | |||||
| 184 | V | 61.4 | Low | 51.3 | Low | 119 Ų | 119 | 129 Ų | 129 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | 58.9 | 100.5 | 109.2 | -163.3 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 185 | D | 50.5 | Low | 51.3 | Low | 139 Ų | 139 | 133.1 Ų | 133.1 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | -179.9 | 142.5 | 69.7 | -117 | -32 | 0 | 0 | 0 | 112.6 | |||||
| 186 | S | 56.6 | Low | 51.9 | Low | 107 Ų | 107 | 134.2 Ų | 134.2 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | 47 | 118.7 | 137.6 | -59.1 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 187 | S | 54 | Low | 52.1 | Low | 133 Ų | 133 | 127.5 Ų | 127.5 | 93% | 0.93 | 75% | 0.748 | S | S | * | * | trans | 78.8 | 104.2 | 136.3 | -165.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 188 | G | 50.9 | Low | 52.3 | Low | 76 Ų | 76 | 127.5 Ų | 127.5 | 78% | 0.784 | 74% | 0.744 | S | S | * | * | trans | 172 | 115.9 | 161.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 189 | G | 55.1 | Low | 53.2 | Low | 82 Ų | 82 | 128 Ų | 128 | 85% | 0.845 | 74% | 0.737 | S | S | * | * | trans | -76.2 | -170.2 | -164 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 190 | N | 55.5 | Low | 54.2 | Low | 151 Ų | 151 | 121.3 Ų | 121.3 | 81% | 0.807 | 72% | 0.716 | S | S | * | * | trans | 85.9 | 71.8 | 178 | -84.9 | 20 | 0 | 0 | 0 | 118.2 | R192 | N190-R192 VanDerWaalsContact C-N 3.3Å; N190-R192 PolarHBondContact O-N 3.14Å | ||
| 191 | Q | 51.7 | Low | 55.5 | Low | 206 Ų | 206 | 119.9 Ų | 119.9 | 96% | 0.963 | 71% | 0.708 | S | S | * | * | trans | -69.1 | 82.4 | 153.4 | -62.6 | -173.5 | 65.5 | 0 | 0 | 110.1 | ||||
| 192 | R | 50.1 | Low | 57 | Low | 225 Ų | 225 | 114.6 Ų | 114.6 | 85% | 0.849 | 69% | 0.691 | S | S | * | * | trans | -156.6 | 48.3 | 174 | -121.8 | 178.3 | 170.4 | -164.7 | -3.9 | 112.6 | N190 | N190-R192 VanDerWaalsContact C-N 3.3Å; N190-R192 PolarHBondContact O-N 3.14Å | ||
| 193 | S | 54.9 | Low | 58.6 | Low | 109 Ų | 109 | 114.3 Ų | 114.3 | 76% | 0.762 | 69% | 0.686 | S | S | * | * | trans | -135.7 | 35.3 | 179.5 | 67.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 194 | G | 56.5 | Low | 59.6 | Low | 55 Ų | 55 | 117 Ų | 117 | 57% | 0.567 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -108.1 | -22 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 195 | L | 52.8 | Low | 60.4 | Low | 151 Ų | 151 | 116.6 Ų | 116.6 | 79% | 0.791 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -110.6 | -13.8 | -176.7 | -90.1 | 83.1 | 0 | 0 | 0 | 114.4 | ||
| 196 | Q | 55.1 | Low | 61.9 | Low | 150 Ų | 150 | 115.2 Ų | 115.2 | 70% | 0.701 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -82.3 | -22.3 | -174.7 | -132.6 | 169.5 | 74.2 | 0 | 0 | 113 | S200 | Q196-S200 WeakPolarHBondContact O-CB 3.5Å; Q196-S200 PolarHBondContact O-N 3.04Å; Q196-S200 PolarHBondContact O-OG 3.5Å |
| 197 | S | 57.5 | Low | 63.1 | Low | 64 Ų | 64 | 115.2 Ų | 115.2 | 45% | 0.448 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -68.9 | -40.8 | 178 | 54.3 | 0 | 0 | 0 | 0 | 112.3 | S200 S201 | S197-S200 PolarHBondContact O-N 2.71Å; S197-S201 PolarHBondContact O-N 3.09Å; S197-S201 PolarHBondContact O-OG 3.2Å; S197-S201 VanDerWaalsContact O-OG 3.05Å |
| 198 | N | 57.6 | Low | 64.4 | Low | 111 Ų | 111 | 112.4 Ų | 112.4 | 59% | 0.594 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -71.2 | -35.7 | -178.6 | -73.4 | -21.3 | 0 | 0 | 0 | 113.3 | S202 | N198-S202 WeakPolarHBondContact O-CB 3.42Å; N198-S202 PolarHBondContact O-N 3.35Å; N198-S202 PolarHBondContact O-OG 3.42Å |
| 199 | I | 64.8 | Low | 65.6 | Low | 112 Ų | 112 | 112.2 Ų | 112.2 | 57% | 0.574 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -67.3 | -45 | 175 | -62.9 | 168.7 | 0 | 0 | 0 | 109.3 | S201 S202 T203 | I199-S201 VanDerWaalsContact C-N 3.31Å; I199-S201 PolarHBondContact O-N 3.05Å; I199-S202 PolarHBondContact O-N 3.15Å; I199-T203 PolarHBondContact O-N 3.4Å; I199-T203 PolarHBondContact O-OG1 2.98Å |
| 200 | S | 69.2 | Low | 66.9 | Low | 61 Ų | 61 | 113.3 Ų | 113.3 | 43% | 0.427 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -61.5 | -39 | 178.3 | -56.6 | 0 | 0 | 0 | 0 | 112.4 | Q196 S197 R204 | Q196-S200 WeakPolarHBondContact O-CB 3.5Å; Q196-S200 PolarHBondContact O-N 3.04Å; Q196-S200 PolarHBondContact O-OG 3.5Å; S197-S200 PolarHBondContact O-N 2.71Å; S200-R204 WeakPolarHBondContact O-CB 3.48Å; S200-R204 VanDerWaalsContact O-CG 3.27Å; S200-R204 WeakPolarHBondContact O-CG 3.33Å; S200-R204 PolarHBondContact O-N 2.9Å |
| 201 | S | 70.3 | Confident | 68.2 | Low | 73 Ų | 73 | 113 Ų | 113 | 51% | 0.51 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -67.2 | -42.9 | 175.3 | -62.3 | 0 | 0 | 0 | 0 | 112.3 | S197 I199 R204 L205 | S197-S201 PolarHBondContact O-N 3.09Å; S197-S201 PolarHBondContact O-OG 3.2Å; S197-S201 VanDerWaalsContact O-OG 3.05Å; I199-S201 VanDerWaalsContact C-N 3.31Å; I199-S201 PolarHBondContact O-N 3.05Å; S201-R204 PolarHBondContact O-N 3.45Å; S201-L205 WeakPolarHBondContact O-CB 3.32Å; S201-L205 PolarHBondContact O-N 3.34Å |
| 202 | S | 74.6 | Confident | 69.6 | Low | 68 Ų | 68 | 109.3 Ų | 109.3 | 48% | 0.476 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.7 | -44.8 | 178.4 | -55.8 | 0 | 0 | 0 | 0 | 111.2 | N198 I199 R204 L205 L206 | N198-S202 WeakPolarHBondContact O-CB 3.42Å; N198-S202 PolarHBondContact O-N 3.35Å; N198-S202 PolarHBondContact O-OG 3.42Å; I199-S202 PolarHBondContact O-N 3.15Å; S202-R204 VanDerWaalsContact C-N 3.34Å; S202-R204 PolarHBondContact O-N 3Å; S202-L205 PolarHBondContact O-N 2.91Å; S202-L206 WeakPolarHBondContact O-CB 3.38Å; S202-L206 VanDerWaalsContact O-CG 3.25Å; S202-L206 WeakPolarHBondContact O-CG 3.42Å; S202-L206 PolarHBondContact O-N 2.85Å |
| 203 | T | 79.3 | Confident | 71.1 | Confident | 73 Ų | 73 | 105.4 Ų | 105.4 | 45% | 0.448 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.7 | -37 | 177.7 | -40.7 | 0 | 0 | 0 | 0 | 111.8 | I199 L207 | I199-T203 PolarHBondContact O-N 3.4Å; I199-T203 PolarHBondContact O-OG1 2.98Å; T203-L207 VanDerWaalsContact O-CG 3.28Å; T203-L207 WeakPolarHBondContact O-CG 3.25Å; T203-L207 PolarHBondContact O-N 2.96Å |
| 204 | R | 73.4 | Confident | 72.6 | Confident | 193 Ų | 193 | 105.7 Ų | 105.7 | 73% | 0.728 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -68.2 | -40.3 | 175.2 | -79.6 | -179.3 | 164.2 | 179.4 | -3.7 | 112.8 | S200 S201 S202 L207 D208 | S200-R204 WeakPolarHBondContact O-CB 3.48Å; S200-R204 VanDerWaalsContact O-CG 3.27Å; S200-R204 WeakPolarHBondContact O-CG 3.33Å; S200-R204 PolarHBondContact O-N 2.9Å; S201-R204 PolarHBondContact O-N 3.45Å; S202-R204 VanDerWaalsContact C-N 3.34Å; S202-R204 PolarHBondContact O-N 3Å; R204-L207 PolarHBondContact O-N 2.95Å; R204-D208 WeakPolarHBondContact O-CB 3.23Å; R204-D208 PolarHBondContact O-N 2.92Å |
| 205 | L | 78.5 | Confident | 73.6 | Confident | 110 Ų | 110 | 112.2 Ų | 112.2 | 58% | 0.576 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.1 | -43.3 | 176.3 | -164.5 | 159.9 | 0 | 0 | 0 | 110.3 | S201 S202 L207 D208 E209 | S201-L205 WeakPolarHBondContact O-CB 3.32Å; S201-L205 PolarHBondContact O-N 3.34Å; S202-L205 PolarHBondContact O-N 2.91Å; L205-L207 PolarHBondContact O-N 2.94Å; L205-D208 PolarHBondContact O-N 3.49Å; L205-E209 WeakPolarHBondContact O-CB 3.44Å; L205-E209 PolarHBondContact O-N 3.43Å |
| 206 | L | 81.6 | Confident | 75 | Confident | 109 Ų | 109 | 107.7 Ų | 107.7 | 57% | 0.571 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.8 | -38.1 | 176.6 | -69.8 | 171.7 | 0 | 0 | 0 | 112.9 | S202 Q210 | S202-L206 WeakPolarHBondContact O-CB 3.38Å; S202-L206 VanDerWaalsContact O-CG 3.25Å; S202-L206 WeakPolarHBondContact O-CG 3.42Å; S202-L206 PolarHBondContact O-N 2.85Å; L206-Q210 WeakPolarHBondContact O-CB 3.4Å; L206-Q210 PolarHBondContact O-N 3.43Å |
| 207 | L | 81.4 | Confident | 76.6 | Confident | 107 Ų | 107 | 105 Ų | 105 | 56% | 0.56 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -69.3 | -42.4 | 176.2 | -71.5 | 172.2 | 0 | 0 | 0 | 112.2 | T203 R204 L205 E209 Q210 E211 | T203-L207 VanDerWaalsContact O-CG 3.28Å; T203-L207 WeakPolarHBondContact O-CG 3.25Å; T203-L207 PolarHBondContact O-N 2.96Å; R204-L207 PolarHBondContact O-N 2.95Å; L205-L207 PolarHBondContact O-N 2.94Å; L207-E209 VanDerWaalsContact C-N 3.34Å; L207-Q210 PolarHBondContact O-N 2.9Å; L207-E211 PolarHBondContact O-N 3.17Å |
| 208 | D | 82.4 | Confident | 77.9 | Confident | 74 Ų | 74 | 111.6 Ų | 111.6 | 40% | 0.396 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.6 | -39.5 | 173.9 | 179.2 | 56.7 | 0 | 0 | 0 | 111.5 | R204 L205 Q210 E211 K212 | R204-D208 WeakPolarHBondContact O-CB 3.23Å; R204-D208 PolarHBondContact O-N 2.92Å; L205-D208 PolarHBondContact O-N 3.49Å; D208-Q210 VanDerWaalsContact C-N 3.33Å; D208-Q210 PolarHBondContact O-N 3.32Å; D208-E211 PolarHBondContact O-N 3.31Å; D208-K212 WeakPolarHBondContact O-CG 3.45Å; D208-K212 PolarHBondContact O-N 3.21Å; D208-K212 IonicContact OD1-NZ 3.98Å; D208-K212 WeakPolarHBondContact OD2-CE 3.44Å; D208-K212 IonicContact OD2-NZ 2.67Å; D208-K212 PolarHBondContact OD2-NZ 3.34Å |
| 209 | E | 75.7 | Confident | 79.2 | Confident | 73 Ų | 73 | 110.1 Ų | 110.1 | 34% | 0.341 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.1 | -42 | 173.5 | -152.9 | -170.8 | 153.7 | 0 | 0 | 110.9 | L205 L207 E211 K212 Y213 | L205-E209 WeakPolarHBondContact O-CB 3.44Å; L205-E209 PolarHBondContact O-N 3.43Å; L207-E209 VanDerWaalsContact C-N 3.34Å; E209-E211 PolarHBondContact O-N 3.41Å; E209-K212 WeakPolarHBondContact O-CB 3.2Å; E209-K212 PolarHBondContact O-N 3.01Å; E209-Y213 HydrophobicContact CB-CE2 4.37Å; E209-Y213 HydrophobicContact CG-CD2 4.13Å; E209-Y213 HydrophobicContact CG-CE2 3.5Å; E209-Y213 WeakPolarHBondContact O-CD2 3.34Å; E209-Y213 PolarHBondContact O-N 3.47Å; E209-Y213 WeakPolarHBondContact OE1-CE2 3.48Å; E209-Y213 PolarHBondContact OE1-OH 3.04Å |
| 210 | Q | 82.6 | Confident | 80.2 | Confident | 105 Ų | 105 | 109.7 Ų | 109.7 | 49% | 0.491 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.6 | -40 | 177.4 | -145.7 | -164.5 | -2.5 | 0 | 0 | 112.5 | L206 L207 D208 Y213 H214 | L206-Q210 WeakPolarHBondContact O-CB 3.4Å; L206-Q210 PolarHBondContact O-N 3.43Å; L207-Q210 PolarHBondContact O-N 2.9Å; D208-Q210 VanDerWaalsContact C-N 3.33Å; D208-Q210 PolarHBondContact O-N 3.32Å; Q210-Y213 PolarHBondContact O-N 3.25Å; Q210-H214 PolarHBondContact O-CD2 3.42Å; Q210-H214 PolarHBondContact O-N 3.42Å |
| 211 | E | 82 | Confident | 81.2 | Confident | 143 Ų | 143 | 111.1 Ų | 111.1 | 67% | 0.668 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.5 | -40.4 | 175.4 | -169.6 | 174.8 | 174.1 | 0 | 0 | 111.6 | L207 D208 E209 H214 R215 | L207-E211 PolarHBondContact O-N 3.17Å; D208-E211 PolarHBondContact O-N 3.31Å; E209-E211 PolarHBondContact O-N 3.41Å; E211-H214 PolarHBondContact O-N 3.35Å; E211-R215 WeakPolarHBondContact O-CB 3.42Å; E211-R215 PolarHBondContact O-N 3Å |
| 212 | K | 81.6 | Confident | 82.1 | Confident | 129 Ų | 129 | 114 Ų | 114 | 56% | 0.561 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.1 | -41.8 | 173.4 | -71.5 | 171.6 | -171.6 | 164.5 | 0 | 112.2 | D208 E209 R215 S216 | D208-K212 WeakPolarHBondContact O-CG 3.45Å; D208-K212 PolarHBondContact O-N 3.21Å; D208-K212 IonicContact OD1-NZ 3.98Å; D208-K212 WeakPolarHBondContact OD2-CE 3.44Å; D208-K212 IonicContact OD2-NZ 2.67Å; D208-K212 PolarHBondContact OD2-NZ 3.34Å; E209-K212 WeakPolarHBondContact O-CB 3.2Å; E209-K212 PolarHBondContact O-N 3.01Å; K212-R215 PolarHBondContact O-N 3.48Å; K212-S216 WeakPolarHBondContact O-CB 3.37Å; K212-S216 PolarHBondContact O-N 3.12Å |
| 213 | Y | 80.5 | Confident | 82.7 | Confident | 144 Ų | 144 | 116.8 Ų | 116.8 | 57% | 0.565 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.9 | -43.9 | 174 | -75.9 | -66.6 | 0 | 0 | 0 | 111.8 | E209 Q210 R215 S216 N217 | E209-Y213 HydrophobicContact CB-CE2 4.37Å; E209-Y213 HydrophobicContact CG-CD2 4.13Å; E209-Y213 HydrophobicContact CG-CE2 3.5Å; E209-Y213 WeakPolarHBondContact O-CD2 3.34Å; E209-Y213 PolarHBondContact O-N 3.47Å; E209-Y213 WeakPolarHBondContact OE1-CE2 3.48Å; E209-Y213 PolarHBondContact OE1-OH 3.04Å; Q210-Y213 PolarHBondContact O-N 3.25Å; Y213-R215 PolarHBondContact O-N 2.9Å; Y213-S216 PolarHBondContact O-N 3.18Å; Y213-N217 WeakPolarHBondContact O-CB 2.93Å; Y213-N217 PolarHBondContact O-N 2.92Å |
| 214 | H | 87 | Confident | 83 | Confident | 115 Ų | 115 | 119.4 Ų | 119.4 | 53% | 0.532 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.8 | -39.2 | 178 | -77.7 | -59.8 | 0 | 0 | 0 | 112.7 | Q210 E211 N217 R218 | Q210-H214 PolarHBondContact O-CD2 3.42Å; Q210-H214 PolarHBondContact O-N 3.42Å; E211-H214 PolarHBondContact O-N 3.35Å; H214-N217 PolarHBondContact O-N 3.21Å; H214-R218 PolarHBondContact O-N 2.94Å |
| 215 | R | 77.6 | Confident | 83.8 | Confident | 191 Ų | 191 | 112.8 Ų | 112.8 | 72% | 0.721 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.5 | -43.5 | 174.3 | -171 | 174.8 | -177.6 | 174.4 | 0.1 | 111.5 | E211 K212 Y213 N217 R218 L219 | E211-R215 WeakPolarHBondContact O-CB 3.42Å; E211-R215 PolarHBondContact O-N 3Å; K212-R215 PolarHBondContact O-N 3.48Å; Y213-R215 PolarHBondContact O-N 2.9Å; R215-N217 VanDerWaalsContact C-N 3.33Å; R215-N217 PolarHBondContact O-N 2.89Å; R215-R218 PolarHBondContact O-N 3.08Å; R215-L219 HydrophobicContact CG-CD1 4.35Å; R215-L219 WeakPolarHBondContact O-CG 3.45Å; R215-L219 PolarHBondContact O-N 3.33Å; R215-L219 VanDerWaalsContact O-N 3.1Å |
| 216 | S | 82.5 | Confident | 84.2 | Confident | 57 Ų | 57 | 109.7 Ų | 109.7 | 40% | 0.399 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 175.8 | -179 | 0 | 0 | 0 | 0 | 111.6 | K212 Y213 R218 L219 L220 | K212-S216 WeakPolarHBondContact O-CB 3.37Å; K212-S216 PolarHBondContact O-N 3.12Å; Y213-S216 PolarHBondContact O-N 3.18Å; S216-R218 PolarHBondContact O-N 3.44Å; S216-L219 PolarHBondContact O-N 2.95Å; S216-L220 WeakPolarHBondContact O-CG 3.46Å; S216-L220 PolarHBondContact O-N 3.45Å |
| 217 | N | 88.3 | Confident | 84.6 | Confident | 92 Ų | 92 | 107.2 Ų | 107.2 | 49% | 0.492 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | -180 | -157.5 | 68.1 | 0 | 0 | 0 | 112 | Y213 H214 R215 L219 L220 D221 | Y213-N217 WeakPolarHBondContact O-CB 2.93Å; Y213-N217 PolarHBondContact O-N 2.92Å; H214-N217 PolarHBondContact O-N 3.21Å; R215-N217 VanDerWaalsContact C-N 3.33Å; R215-N217 PolarHBondContact O-N 2.89Å; N217-L219 VanDerWaalsContact C-N 3.34Å; N217-L219 PolarHBondContact O-N 3.42Å; N217-L220 PolarHBondContact O-N 3.4Å; N217-D221 PolarHBondContact O-N 3.42Å |
| 218 | R | 84.7 | Confident | 84.9 | Confident | 204 Ų | 204 | 105.4 Ų | 105.4 | 77% | 0.77 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.3 | -39.5 | 174.9 | -76.1 | -177.1 | 166 | 174.8 | -2.7 | 112.8 | H214 R215 S216 D221 E222 | H214-R218 PolarHBondContact O-N 2.94Å; R215-R218 PolarHBondContact O-N 3.08Å; S216-R218 PolarHBondContact O-N 3.44Å; R218-D221 PolarHBondContact O-N 3.47Å; R218-E222 PolarHBondContact O-N 3.47Å; R218-E222 VanDerWaalsContact O-N 3.14Å |
| 219 | L | 84.3 | Confident | 85.2 | Confident | 80 Ų | 80 | 106.4 Ų | 106.4 | 42% | 0.419 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.8 | -41.1 | 176 | -70.7 | 170.8 | 0 | 0 | 0 | 111.5 | R215 S216 N217 D221 E222 H223 | R215-L219 HydrophobicContact CG-CD1 4.35Å; R215-L219 WeakPolarHBondContact O-CG 3.45Å; R215-L219 PolarHBondContact O-N 3.33Å; R215-L219 VanDerWaalsContact O-N 3.1Å; S216-L219 PolarHBondContact O-N 2.95Å; N217-L219 VanDerWaalsContact C-N 3.34Å; N217-L219 PolarHBondContact O-N 3.42Å; L219-D221 VanDerWaalsContact C-N 3.3Å; L219-D221 PolarHBondContact O-N 3.26Å; L219-E222 PolarHBondContact O-N 2.67Å; L219-H223 PolarHBondContact O-CD2 3.47Å; L219-H223 PolarHBondContact O-N 2.66Å |
| 220 | L | 86.2 | Confident | 85.8 | Confident | 102 Ų | 102 | 107.7 Ų | 107.7 | 53% | 0.534 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.4 | -39.4 | 175.3 | -72.1 | 174.1 | 0 | 0 | 0 | 111.6 | S216 N217 H223 L224 | S216-L220 WeakPolarHBondContact O-CG 3.46Å; S216-L220 PolarHBondContact O-N 3.45Å; N217-L220 PolarHBondContact O-N 3.4Å; L220-H223 PolarHBondContact O-N 2.87Å; L220-L224 WeakPolarHBondContact O-CB 3.34Å; L220-L224 PolarHBondContact O-N 3.5Å |
| 221 | D | 91.3 | Very high | 86.3 | Confident | 92 Ų | 92 | 111.4 Ų | 111.4 | 49% | 0.492 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.2 | -42.1 | 175.6 | -68.8 | -35.8 | 0 | 0 | 0 | 111.7 | N217 R218 L219 L224 A225 | N217-D221 PolarHBondContact O-N 3.42Å; R218-D221 PolarHBondContact O-N 3.47Å; L219-D221 VanDerWaalsContact C-N 3.3Å; L219-D221 PolarHBondContact O-N 3.26Å; D221-L224 PolarHBondContact O-N 2.87Å; D221-A225 WeakPolarHBondContact O-CB 3.44Å; D221-A225 PolarHBondContact O-N 3.21Å |
| 222 | E | 88.4 | Confident | 86.7 | Confident | 133 Ų | 133 | 107.6 Ų | 107.6 | 62% | 0.621 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64 | -44 | 175.1 | -173.4 | 175.2 | 179.3 | 0 | 0 | 111.8 | R218 L219 L224 A225 A226 | R218-E222 PolarHBondContact O-N 3.47Å; R218-E222 VanDerWaalsContact O-N 3.14Å; L219-E222 PolarHBondContact O-N 2.67Å; E222-L224 VanDerWaalsContact C-N 3.34Å; E222-L224 PolarHBondContact O-N 3.36Å; E222-A225 PolarHBondContact O-N 2.88Å; E222-A226 WeakPolarHBondContact O-CB 3.46Å; E222-A226 PolarHBondContact O-N 2.8Å |
| 223 | H | 88.2 | Confident | 86.9 | Confident | 126 Ų | 126 | 103.9 Ų | 103.9 | 58% | 0.583 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.6 | -37.2 | 175 | -72.1 | -59.7 | 0 | 0 | 0 | 112.4 | L219 L220 A227 | L219-H223 PolarHBondContact O-CD2 3.47Å; L219-H223 PolarHBondContact O-N 2.66Å; L220-H223 PolarHBondContact O-N 2.87Å; H223-A227 WeakPolarHBondContact O-CB 3.02Å; H223-A227 PolarHBondContact O-N 2.93Å |
| 224 | L | 85.2 | Confident | 87.4 | Confident | 129 Ų | 129 | 101.8 Ų | 101.8 | 68% | 0.675 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.6 | -41.4 | 177 | -157.1 | 100.2 | 0 | 0 | 0 | 110.8 | L220 D221 E222 A227 S228 | L220-L224 WeakPolarHBondContact O-CB 3.34Å; L220-L224 PolarHBondContact O-N 3.5Å; D221-L224 PolarHBondContact O-N 2.87Å; E222-L224 VanDerWaalsContact C-N 3.34Å; E222-L224 PolarHBondContact O-N 3.36Å; L224-A227 PolarHBondContact O-N 3.45Å; L224-S228 WeakPolarHBondContact O-CB 3.39Å; L224-S228 PolarHBondContact O-N 3.44Å |
| 225 | A | 89.9 | Confident | 87.6 | Confident | 53 Ų | 53 | 105.2 Ų | 105.2 | 44% | 0.438 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.2 | -47.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | D221 E222 S228 T229 | D221-A225 WeakPolarHBondContact O-CB 3.44Å; D221-A225 PolarHBondContact O-N 3.21Å; E222-A225 PolarHBondContact O-N 2.88Å; A225-S228 PolarHBondContact O-N 2.97Å; A225-S228 PolarHBondContact O-OG 3.32Å; A225-T229 PolarHBondContact O-N 3.39Å; A225-T229 VanDerWaalsContact O-N 3.09Å; A225-T229 PolarHBondContact O-OG1 2.81Å |
| 226 | A | 87.2 | Confident | 88 | Confident | 46 Ų | 46 | 99.1 Ų | 99.1 | 38% | 0.38 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.4 | -45.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E222 S228 T229 I230 | E222-A226 WeakPolarHBondContact O-CB 3.46Å; E222-A226 PolarHBondContact O-N 2.8Å; A226-S228 VanDerWaalsContact C-N 3.34Å; A226-S228 PolarHBondContact O-N 3.47Å; A226-T229 PolarHBondContact O-N 2.88Å; A226-I230 VanDerWaalsContact O-CG1 3.32Å; A226-I230 WeakPolarHBondContact O-CG1 3.4Å; A226-I230 PolarHBondContact O-N 3.19Å |
| 227 | A | 90 | Very high | 88.4 | Confident | 57 Ų | 57 | 101.9 Ų | 101.9 | 47% | 0.471 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.1 | -38.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | H223 L224 T229 R231 | H223-A227 WeakPolarHBondContact O-CB 3.02Å; H223-A227 PolarHBondContact O-N 2.93Å; L224-A227 PolarHBondContact O-N 3.45Å; A227-T229 VanDerWaalsContact C-N 3.33Å; A227-R231 WeakPolarHBondContact O-CB 3.5Å; A227-R231 PolarHBondContact O-N 3.06Å |
| 228 | S | 88 | Confident | 88.6 | Confident | 69 Ų | 69 | 105.9 Ų | 105.9 | 48% | 0.483 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.4 | -39.5 | 176.3 | 77.7 | 0 | 0 | 0 | 0 | 111.8 | L224 A225 A226 R231 A232 | L224-S228 WeakPolarHBondContact O-CB 3.39Å; L224-S228 PolarHBondContact O-N 3.44Å; A225-S228 PolarHBondContact O-N 2.97Å; A225-S228 PolarHBondContact O-OG 3.32Å; A226-S228 VanDerWaalsContact C-N 3.34Å; A226-S228 PolarHBondContact O-N 3.47Å; S228-R231 PolarHBondContact O-N 2.92Å; S228-A232 WeakPolarHBondContact O-CB 3.42Å; S228-A232 PolarHBondContact O-N 3.31Å |
| 229 | T | 87 | Confident | 88.8 | Confident | 94 Ų | 94 | 103.3 Ų | 103.3 | 58% | 0.577 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -68.1 | -46.3 | 178 | -55.4 | 0 | 0 | 0 | 0 | 111.2 | A225 A226 A227 R231 A232 A233 | A225-T229 PolarHBondContact O-N 3.39Å; A225-T229 VanDerWaalsContact O-N 3.09Å; A225-T229 PolarHBondContact O-OG1 2.81Å; A226-T229 PolarHBondContact O-N 2.88Å; A227-T229 VanDerWaalsContact C-N 3.33Å; T229-R231 VanDerWaalsContact C-N 3.32Å; T229-R231 PolarHBondContact O-N 3.41Å; T229-A232 PolarHBondContact O-N 2.97Å; T229-A233 PolarHBondContact O-N 3.24Å |
| 230 | I | 89.7 | Confident | 88.6 | Confident | 101 Ų | 101 | 102.3 Ų | 102.3 | 52% | 0.518 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 175.4 | -66.6 | 165.4 | 0 | 0 | 0 | 110.2 | A226 A232 A233 L234 | A226-I230 VanDerWaalsContact O-CG1 3.32Å; A226-I230 WeakPolarHBondContact O-CG1 3.4Å; A226-I230 PolarHBondContact O-N 3.19Å; I230-A232 VanDerWaalsContact C-N 3.33Å; I230-A232 PolarHBondContact O-N 3.26Å; I230-A233 PolarHBondContact O-N 2.64Å; I230-L234 HydrophobicContact CG2-CD1 3.77Å; I230-L234 HydrophobicContact CG2-CG 4.13Å; I230-L234 WeakPolarHBondContact O-CB 3.46Å; I230-L234 VanDerWaalsContact O-CG 3.31Å; I230-L234 WeakPolarHBondContact O-CG 3.34Å; I230-L234 PolarHBondContact O-N 3.26Å |
| 231 | R | 93.2 | Very high | 88.8 | Confident | 183 Ų | 183 | 102.1 Ų | 102.1 | 69% | 0.691 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.4 | -41.1 | 176.2 | -179.1 | 175.9 | 176.4 | 158 | -1.6 | 111.8 | A227 S228 T229 R235 | A227-R231 WeakPolarHBondContact O-CB 3.5Å; A227-R231 PolarHBondContact O-N 3.06Å; S228-R231 PolarHBondContact O-N 2.92Å; T229-R231 VanDerWaalsContact C-N 3.32Å; T229-R231 PolarHBondContact O-N 3.41Å; R231-R235 VanDerWaalsContact O-CB 3.29Å; R231-R235 WeakPolarHBondContact O-CB 3.45Å; R231-R235 PolarHBondContact O-N 3.25Å |
| 232 | A | 89.1 | Confident | 88.7 | Confident | 62 Ų | 62 | 105.7 Ų | 105.7 | 51% | 0.512 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.7 | -46.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S228 T229 I230 R235 A236 | S228-A232 WeakPolarHBondContact O-CB 3.42Å; S228-A232 PolarHBondContact O-N 3.31Å; T229-A232 PolarHBondContact O-N 2.97Å; I230-A232 VanDerWaalsContact C-N 3.33Å; I230-A232 PolarHBondContact O-N 3.26Å; A232-R235 PolarHBondContact O-N 3.08Å; A232-A236 PolarHBondContact O-N 3.44Å |
| 233 | A | 85.6 | Confident | 88.5 | Confident | 51 Ų | 51 | 103 Ų | 103 | 42% | 0.421 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62 | -46 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T229 I230 R235 A236 Q237 | T229-A233 PolarHBondContact O-N 3.24Å; I230-A233 PolarHBondContact O-N 2.64Å; A233-R235 VanDerWaalsContact C-N 3.32Å; A233-R235 PolarHBondContact O-N 2.78Å; A233-A236 PolarHBondContact O-N 2.95Å; A233-Q237 WeakPolarHBondContact O-CG 3.47Å; A233-Q237 PolarHBondContact O-N 3.3Å |
| 234 | L | 91.1 | Very high | 88.4 | Confident | 101 Ų | 101 | 99.8 Ų | 99.8 | 53% | 0.529 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.9 | -36 | 176.3 | -73 | 175.7 | 0 | 0 | 0 | 112 | I230 Q237 R238 | I230-L234 HydrophobicContact CG2-CD1 3.77Å; I230-L234 HydrophobicContact CG2-CG 4.13Å; I230-L234 WeakPolarHBondContact O-CB 3.46Å; I230-L234 VanDerWaalsContact O-CG 3.31Å; I230-L234 WeakPolarHBondContact O-CG 3.34Å; I230-L234 PolarHBondContact O-N 3.26Å; L234-Q237 PolarHBondContact O-N 3.26Å; L234-R238 VanDerWaalsContact O-CB 3.3Å; L234-R238 WeakPolarHBondContact O-CB 3.45Å; L234-R238 PolarHBondContact O-N 3.26Å |
| 235 | R | 91 | Very high | 88.4 | Confident | 186 Ų | 186 | 96.8 Ų | 96.8 | 70% | 0.702 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.1 | -42.3 | 176.1 | -167.5 | -179.3 | -176.1 | 100.3 | -4.1 | 111.4 | R231 A232 A233 R238 F239 | R231-R235 VanDerWaalsContact O-CB 3.29Å; R231-R235 WeakPolarHBondContact O-CB 3.45Å; R231-R235 PolarHBondContact O-N 3.25Å; A232-R235 PolarHBondContact O-N 3.08Å; A233-R235 VanDerWaalsContact C-N 3.32Å; A233-R235 PolarHBondContact O-N 2.78Å; R235-R238 PolarHBondContact O-N 3.2Å; R235-F239 PolarHBondContact O-N 2.9Å |
| 236 | A | 88.1 | Confident | 88 | Confident | 63 Ų | 63 | 98.2 Ų | 98.2 | 52% | 0.521 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.1 | -45 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A232 A233 R238 F239 A240 | A232-A236 PolarHBondContact O-N 3.44Å; A233-A236 PolarHBondContact O-N 2.95Å; A236-R238 PolarHBondContact O-N 3.46Å; A236-F239 WeakPolarHBondContact O-CB 3.37Å; A236-F239 PolarHBondContact O-N 3.41Å; A236-A240 PolarHBondContact O-N 2.89Å |
| 237 | Q | 90.2 | Very high | 88 | Confident | 115 Ų | 115 | 97.8 Ų | 97.8 | 54% | 0.537 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 174.4 | -74 | -179.6 | 6.3 | 0 | 0 | 112 | A233 L234 F239 A240 L241 | A233-Q237 WeakPolarHBondContact O-CG 3.47Å; A233-Q237 PolarHBondContact O-N 3.3Å; L234-Q237 PolarHBondContact O-N 3.26Å; Q237-F239 VanDerWaalsContact C-N 3.29Å; Q237-F239 PolarHBondContact O-N 3.44Å; Q237-A240 PolarHBondContact O-N 3.4Å; Q237-L241 WeakPolarHBondContact O-CB 3.42Å; Q237-L241 VanDerWaalsContact O-CG 3.3Å; Q237-L241 WeakPolarHBondContact O-CG 3.03Å; Q237-L241 PolarHBondContact O-N 2.99Å |
| 238 | R | 91.3 | Very high | 87.7 | Confident | 177 Ų | 177 | 100.4 Ų | 100.4 | 67% | 0.668 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.1 | -36.9 | 177 | -169.7 | 173.3 | -172.7 | 162.8 | 1.8 | 111.7 | L234 R235 A236 R242 | L234-R238 VanDerWaalsContact O-CB 3.3Å; L234-R238 WeakPolarHBondContact O-CB 3.45Å; L234-R238 PolarHBondContact O-N 3.26Å; R235-R238 PolarHBondContact O-N 3.2Å; A236-R238 PolarHBondContact O-N 3.46Å; R238-R242 WeakPolarHBondContact O-CB 3.47Å; R238-R242 VanDerWaalsContact O-CG 3.25Å; R238-R242 WeakPolarHBondContact O-CG 3.4Å; R238-R242 PolarHBondContact O-N 3.01Å |
| 239 | F | 88.7 | Confident | 87.3 | Confident | 150 Ų | 150 | 100.6 Ų | 100.6 | 66% | 0.658 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.6 | -49.2 | 173.3 | -177.3 | -98.3 | 0 | 0 | 0 | 111.2 | R235 A236 Q237 L241 R242 T243 | R235-F239 PolarHBondContact O-N 2.9Å; A236-F239 WeakPolarHBondContact O-CB 3.37Å; A236-F239 PolarHBondContact O-N 3.41Å; Q237-F239 VanDerWaalsContact C-N 3.29Å; Q237-F239 PolarHBondContact O-N 3.44Å; F239-L241 VanDerWaalsContact C-N 3.32Å; F239-L241 PolarHBondContact O-N 3.17Å; F239-R242 PolarHBondContact O-N 3.31Å; F239-R242 VanDerWaalsContact O-N 3.1Å; F239-T243 PolarHBondContact O-N 3.5Å; F239-T243 PolarHBondContact O-OG1 3.49Å |
| 240 | A | 81.8 | Confident | 86.7 | Confident | 58 Ų | 58 | 99.2 Ų | 99.2 | 48% | 0.479 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.7 | -41.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A236 Q237 T243 A244 | A236-A240 PolarHBondContact O-N 2.89Å; Q237-A240 PolarHBondContact O-N 3.4Å; A240-T243 PolarHBondContact O-N 3.09Å; A240-A244 WeakPolarHBondContact O-CB 3.5Å; A240-A244 PolarHBondContact O-N 3.27Å |
| 241 | L | 90.3 | Very high | 85.8 | Confident | 98 Ų | 98 | 98.7 Ų | 98.7 | 51% | 0.513 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.9 | -36 | 175.3 | -72.7 | 175.2 | 0 | 0 | 0 | 112.3 | Q237 F239 A244 S245 | Q237-L241 WeakPolarHBondContact O-CB 3.42Å; Q237-L241 VanDerWaalsContact O-CG 3.3Å; Q237-L241 WeakPolarHBondContact O-CG 3.03Å; Q237-L241 PolarHBondContact O-N 2.99Å; F239-L241 VanDerWaalsContact C-N 3.32Å; F239-L241 PolarHBondContact O-N 3.17Å; L241-A244 PolarHBondContact O-N 3.37Å; L241-S245 VanDerWaalsContact O-CB 3.26Å; L241-S245 WeakPolarHBondContact O-CB 3.08Å; L241-S245 PolarHBondContact O-N 3.04Å; L241-S245 PolarHBondContact O-OG 2.94Å |
| 242 | R | 87.7 | Confident | 84.9 | Confident | 167 Ų | 167 | 93.7 Ų | 93.7 | 63% | 0.63 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.8 | -44.5 | 173.7 | -75.2 | 178.3 | 93.6 | 159 | 7 | 110.6 | R238 F239 A244 S245 T246 | R238-R242 WeakPolarHBondContact O-CB 3.47Å; R238-R242 VanDerWaalsContact O-CG 3.25Å; R238-R242 WeakPolarHBondContact O-CG 3.4Å; R238-R242 PolarHBondContact O-N 3.01Å; F239-R242 PolarHBondContact O-N 3.31Å; F239-R242 VanDerWaalsContact O-N 3.1Å; R242-A244 PolarHBondContact O-N 3.11Å; R242-S245 WeakPolarHBondContact CA-OG 3.35Å; R242-S245 PolarHBondContact O-N 2.98Å; R242-S245 PolarHBondContact O-OG 3.03Å; R242-T246 PolarHBondContact O-N 3.03Å; R242-T246 PolarHBondContact O-OG1 3.2Å |
| 243 | T | 86 | Confident | 84 | Confident | 77 Ų | 77 | 94.3 Ų | 94.3 | 47% | 0.472 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.1 | -44.3 | 174.5 | -53.4 | 0 | 0 | 0 | 0 | 111.9 | F239 A240 S245 T246 G247 | F239-T243 PolarHBondContact O-N 3.5Å; F239-T243 PolarHBondContact O-OG1 3.49Å; A240-T243 PolarHBondContact O-N 3.09Å; T243-S245 VanDerWaalsContact C-N 3.34Å; T243-S245 PolarHBondContact O-N 2.89Å; T243-T246 WeakPolarHBondContact CA-OG1 3.35Å; T243-T246 PolarHBondContact O-N 3.3Å; T243-T246 PolarHBondContact O-OG1 3.4Å; T243-G247 PolarHBondContact O-N 3.49Å |
| 244 | A | 84.3 | Confident | 83.2 | Confident | 59 Ų | 59 | 99 Ų | 99 | 49% | 0.488 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.5 | -39.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A240 L241 R242 G247 L248 | A240-A244 WeakPolarHBondContact O-CB 3.5Å; A240-A244 PolarHBondContact O-N 3.27Å; L241-A244 PolarHBondContact O-N 3.37Å; R242-A244 PolarHBondContact O-N 3.11Å; A244-G247 CarbonylContact O-C 3.6Å; A244-G247 PolarHBondContact O-N 3Å; A244-L248 WeakPolarHBondContact O-CB 3.45Å; A244-L248 PolarHBondContact O-N 3.18Å |
| 245 | S | 85.4 | Confident | 82 | Confident | 65 Ų | 65 | 99.6 Ų | 99.6 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.7 | -37.1 | 177.2 | 75.5 | 0 | 0 | 0 | 0 | 112.1 | L241 R242 T243 L248 S249 | L241-S245 VanDerWaalsContact O-CB 3.26Å; L241-S245 WeakPolarHBondContact O-CB 3.08Å; L241-S245 PolarHBondContact O-N 3.04Å; L241-S245 PolarHBondContact O-OG 2.94Å; R242-S245 WeakPolarHBondContact CA-OG 3.35Å; R242-S245 PolarHBondContact O-N 2.98Å; R242-S245 PolarHBondContact O-OG 3.03Å; T243-S245 VanDerWaalsContact C-N 3.34Å; T243-S245 PolarHBondContact O-N 2.89Å; S245-L248 PolarHBondContact O-N 3.42Å; S245-S249 WeakPolarHBondContact O-CB 3.45Å; S245-S249 PolarHBondContact O-N 2.86Å |
| 246 | T | 83.2 | Confident | 80.8 | Confident | 84 Ų | 84 | 94.4 Ų | 94.4 | 52% | 0.515 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.5 | -39.9 | 173.3 | 47.5 | 0 | 0 | 0 | 0 | 111 | R242 T243 L248 S249 S250 | R242-T246 PolarHBondContact O-N 3.03Å; R242-T246 PolarHBondContact O-OG1 3.2Å; T243-T246 WeakPolarHBondContact CA-OG1 3.35Å; T243-T246 PolarHBondContact O-N 3.3Å; T243-T246 PolarHBondContact O-OG1 3.4Å; T246-L248 PolarHBondContact O-N 3.3Å; T246-S249 WeakPolarHBondContact CA-OG 3.41Å; T246-S249 PolarHBondContact O-N 3.09Å; T246-S249 PolarHBondContact O-OG 3.33Å; T246-S250 PolarHBondContact O-N 2.78Å |
| 247 | G | 86.1 | Confident | 79.7 | Confident | 37 Ų | 37 | 96.3 Ų | 96.3 | 38% | 0.381 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.4 | -36.4 | 172 | 0 | 0 | 0 | 0 | 0 | 113.4 | T243 A244 S250 L251 | T243-G247 PolarHBondContact O-N 3.49Å; A244-G247 CarbonylContact O-C 3.6Å; A244-G247 PolarHBondContact O-N 3Å; G247-S250 PolarHBondContact O-N 2.64Å; G247-S250 PolarHBondContact O-OG 3.28Å; G247-L251 PolarHBondContact O-N 3.04Å |
| 248 | L | 83 | Confident | 78.4 | Confident | 112 Ų | 112 | 94.6 Ų | 94.6 | 59% | 0.586 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -70.2 | -36.6 | 175.1 | -174.9 | 62.1 | 0 | 0 | 0 | 111.8 | A244 S245 T246 S250 L251 S252 | A244-L248 WeakPolarHBondContact O-CB 3.45Å; A244-L248 PolarHBondContact O-N 3.18Å; S245-L248 PolarHBondContact O-N 3.42Å; T246-L248 PolarHBondContact O-N 3.3Å; L248-S250 VanDerWaalsContact C-N 3.35Å; L248-L251 HydrophobicContact CD1-CD2 4.36Å; L248-L251 PolarHBondContact O-N 2.93Å; L248-S252 PolarHBondContact O-N 3.09Å |
| 249 | S | 79.5 | Confident | 76.8 | Confident | 73 Ų | 73 | 93.2 Ų | 93.2 | 51% | 0.51 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.2 | -36.8 | 175.6 | 73 | 0 | 0 | 0 | 0 | 112.1 | S245 T246 S252 S253 | S245-S249 WeakPolarHBondContact O-CB 3.45Å; S245-S249 PolarHBondContact O-N 2.86Å; T246-S249 WeakPolarHBondContact CA-OG 3.41Å; T246-S249 PolarHBondContact O-N 3.09Å; T246-S249 PolarHBondContact O-OG 3.33Å; S249-S252 WeakPolarHBondContact O-CB 3.2Å; S249-S252 PolarHBondContact O-N 3.44Å; S249-S253 PolarHBondContact O-N 3.27Å; S249-S253 VanDerWaalsContact O-N 3.12Å |
| 250 | S | 75.6 | Confident | 75.6 | Confident | 64 Ų | 64 | 94.4 Ų | 94.4 | 45% | 0.448 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69 | -36.3 | 173.1 | 67 | 0 | 0 | 0 | 0 | 111.3 | T246 G247 L248 S253 R254 | T246-S250 PolarHBondContact O-N 2.78Å; G247-S250 PolarHBondContact O-N 2.64Å; G247-S250 PolarHBondContact O-OG 3.28Å; L248-S250 VanDerWaalsContact C-N 3.35Å; S250-S253 PolarHBondContact O-N 2.91Å; S250-S253 PolarHBondContact O-OG 3.27Å; S250-R254 VanDerWaalsContact O-CG 3.27Å; S250-R254 WeakPolarHBondContact O-CG 3.37Å; S250-R254 PolarHBondContact O-N 3.1Å |
| 251 | L | 70.7 | Confident | 74.8 | Confident | 91 Ų | 91 | 97.4 Ų | 97.4 | 48% | 0.476 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.4 | -37.7 | 171.4 | -171.8 | 63 | 0 | 0 | 0 | 112.5 | G247 L248 S253 R254 F255 | G247-L251 PolarHBondContact O-N 3.04Å; L248-L251 HydrophobicContact CD1-CD2 4.36Å; L248-L251 PolarHBondContact O-N 2.93Å; L251-S253 VanDerWaalsContact C-N 3.3Å; L251-S253 PolarHBondContact O-N 3.47Å; L251-R254 WeakPolarHBondContact O-CA 3.31Å; L251-R254 WeakPolarHBondContact O-CB 3.43Å; L251-R254 PolarHBondContact O-N 3.44Å; L251-F255 HydrophobicContact CD2-CE2 4.21Å; L251-F255 HydrophobicContact CG-CD2 4.31Å; L251-F255 HydrophobicContact CG-CE2 3.93Å; L251-F255 WeakPolarHBondContact O-CD2 3.41Å; L251-F255 PolarHBondContact O-N 3.02Å |
| 252 | S | 74.2 | Confident | 73.5 | Confident | 77 Ų | 77 | 96.8 Ų | 96.8 | 54% | 0.538 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.8 | -41.6 | 174 | -172 | 0 | 0 | 0 | 0 | 111.8 | L248 S249 R254 F255 P256 | L248-S252 PolarHBondContact O-N 3.09Å; S249-S252 WeakPolarHBondContact O-CB 3.2Å; S249-S252 PolarHBondContact O-N 3.44Å; S252-R254 PolarHBondContact O-N 3.06Å; S252-F255 PolarHBondContact O-N 2.8Å; S252-P256 VanDerWaalsContact O-CD 3.22Å; S252-P256 WeakPolarHBondContact O-CD 3.48Å |
| 253 | S | 70.2 | Confident | 72.2 | Confident | 76 Ų | 76 | 94.6 Ų | 94.6 | 53% | 0.531 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.6 | -22.6 | 174.6 | 78.1 | 0 | 0 | 0 | 0 | 113.7 | S249 S250 L251 P256 | S249-S253 PolarHBondContact O-N 3.27Å; S249-S253 VanDerWaalsContact O-N 3.12Å; S250-S253 PolarHBondContact O-N 2.91Å; S250-S253 PolarHBondContact O-OG 3.27Å; L251-S253 VanDerWaalsContact C-N 3.3Å; L251-S253 PolarHBondContact O-N 3.47Å; S253-P256 WeakPolarHBondContact O-CD 3.44Å; S253-P256 WeakPolarHBondContact O-CG 2.95Å |
| 254 | R | 68.3 | Low | 71.1 | Confident | 148 Ų | 148 | 98.5 Ų | 98.5 | 56% | 0.558 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -88 | -25.8 | 178.6 | -60.6 | -84.3 | -178.4 | -179 | 2 | 112.8 | S250 L251 S252 Q257 V258 | S250-R254 VanDerWaalsContact O-CG 3.27Å; S250-R254 WeakPolarHBondContact O-CG 3.37Å; S250-R254 PolarHBondContact O-N 3.1Å; L251-R254 WeakPolarHBondContact O-CA 3.31Å; L251-R254 WeakPolarHBondContact O-CB 3.43Å; L251-R254 PolarHBondContact O-N 3.44Å; S252-R254 PolarHBondContact O-N 3.06Å; R254-Q257 WeakPolarHBondContact O-CA 3.43Å; R254-Q257 WeakPolarHBondContact O-CB 3.29Å; R254-Q257 PolarHBondContact O-N 3.18Å; R254-V258 PolarHBondContact O-N 3.34Å |
| 255 | F | 67.2 | Low | 70 | Confident | 115 Ų | 115 | 100.4 Ų | 100.4 | 50% | 0.504 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -53.1 | -40 | 176.6 | -92.4 | -72.1 | 0 | 0 | 0 | 115.4 | L251 S252 Q257 V258 K259 | L251-F255 HydrophobicContact CD2-CE2 4.21Å; L251-F255 HydrophobicContact CG-CD2 4.31Å; L251-F255 HydrophobicContact CG-CE2 3.93Å; L251-F255 WeakPolarHBondContact O-CD2 3.41Å; L251-F255 PolarHBondContact O-N 3.02Å; S252-F255 PolarHBondContact O-N 2.8Å; F255-Q257 VanDerWaalsContact C-N 3.3Å; F255-Q257 PolarHBondContact O-N 3.5Å; F255-V258 PolarHBondContact O-N 3.03Å; F255-K259 PolarHBondContact O-N 3.38Å |
| 256 | P | 65.7 | Low | 69 | Low | 76 Ų | 76 | 101.3 Ų | 101.3 | 49% | 0.494 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.7 | -25.6 | 175.2 | 23.1 | -31.4 | 0 | 0 | 0 | 113.5 | S252 S253 K260 | S252-P256 VanDerWaalsContact O-CD 3.22Å; S252-P256 WeakPolarHBondContact O-CD 3.48Å; S253-P256 WeakPolarHBondContact O-CD 3.44Å; S253-P256 WeakPolarHBondContact O-CG 2.95Å; P256-K260 PolarHBondContact O-N 3.42Å |
| 257 | Q | 64.1 | Low | 68.1 | Low | 104 Ų | 104 | 105.6 Ų | 105.6 | 49% | 0.486 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -70.5 | -44.7 | 170.4 | -63.1 | 179.3 | -18.4 | 0 | 0 | 109.9 | R254 F255 K259 K260 L261 | R254-Q257 WeakPolarHBondContact O-CA 3.43Å; R254-Q257 WeakPolarHBondContact O-CB 3.29Å; R254-Q257 PolarHBondContact O-N 3.18Å; F255-Q257 VanDerWaalsContact C-N 3.3Å; F255-Q257 PolarHBondContact O-N 3.5Å; Q257-K259 VanDerWaalsContact C-N 3.27Å; Q257-K259 PolarHBondContact O-N 3.34Å; Q257-K260 WeakPolarHBondContact O-CB 3.26Å; Q257-K260 PolarHBondContact O-N 2.93Å; Q257-L261 VanDerWaalsContact O-CD1 3.32Å; Q257-L261 WeakPolarHBondContact O-CD1 3.45Å; Q257-L261 PolarHBondContact O-N 3.39Å |
| 258 | V | 63 | Low | 67.1 | Low | 78 Ų | 78 | 112.1 Ų | 112.1 | 47% | 0.473 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -58.5 | -37.8 | 173.5 | -179.9 | 0 | 0 | 0 | 0 | 111.4 | R254 F255 K260 L261 I262 | R254-V258 PolarHBondContact O-N 3.34Å; F255-V258 PolarHBondContact O-N 3.03Å; V258-K260 PolarHBondContact O-N 2.8Å; V258-L261 CarbonylContact O-C 3.57Å; V258-L261 PolarHBondContact O-N 2.98Å; V258-I262 PolarHBondContact O-N 3.01Å |
| 259 | K | 57.5 | Low | 66.2 | Low | 149 Ų | 149 | 112.6 Ų | 112.6 | 65% | 0.648 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.2 | -33.1 | 173.2 | -76.5 | -167.8 | 176 | -169 | 0 | 113.8 | F255 Q257 I262 N263 | F255-K259 PolarHBondContact O-N 3.38Å; Q257-K259 VanDerWaalsContact C-N 3.27Å; Q257-K259 PolarHBondContact O-N 3.34Å; K259-I262 WeakPolarHBondContact O-CG2 3.43Å; K259-N263 PolarHBondContact O-N 3.36Å; K259-N263 VanDerWaalsContact O-N 3.08Å |
| 260 | K | 63.8 | Low | 66.1 | Low | 174 Ų | 174 | 115.4 Ų | 115.4 | 76% | 0.757 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -69.1 | -36.1 | 171.9 | -75.9 | -173.5 | 178.2 | -179.2 | 0 | 111.7 | P256 Q257 V258 K264 | P256-K260 PolarHBondContact O-N 3.42Å; Q257-K260 WeakPolarHBondContact O-CB 3.26Å; Q257-K260 PolarHBondContact O-N 2.93Å; V258-K260 PolarHBondContact O-N 2.8Å; K260-K264 WeakPolarHBondContact O-CB 3.45Å; K260-K264 PolarHBondContact O-N 3.38Å |
| 261 | L | 65.4 | Low | 66.1 | Low | 122 Ų | 122 | 116.2 Ų | 116.2 | 64% | 0.639 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -70 | -39.8 | 174.4 | -80.7 | 124.4 | 0 | 0 | 0 | 112.1 | Q257 V258 K264 I265 | Q257-L261 VanDerWaalsContact O-CD1 3.32Å; Q257-L261 WeakPolarHBondContact O-CD1 3.45Å; Q257-L261 PolarHBondContact O-N 3.39Å; V258-L261 CarbonylContact O-C 3.57Å; V258-L261 PolarHBondContact O-N 2.98Å; L261-K264 PolarHBondContact O-N 3.48Å; L261-I265 PolarHBondContact O-N 2.68Å |
| 262 | I | 62.8 | Low | 66.8 | Low | 84 Ų | 84 | 117.2 Ų | 117.2 | 43% | 0.431 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.2 | -42.8 | 178.9 | -149.5 | 75.2 | 0 | 0 | 0 | 111.5 | V258 K259 K264 I265 D266 | V258-I262 PolarHBondContact O-N 3.01Å; K259-I262 WeakPolarHBondContact O-CG2 3.43Å; I262-K264 PolarHBondContact O-N 3.44Å; I262-I265 HydrophobicContact CD1-CG2 4.02Å; I262-I265 HydrophobicContact CG1-CG2 4.37Å; I262-I265 WeakPolarHBondContact O-CG2 3.49Å; I262-I265 PolarHBondContact O-N 3.48Å; I262-I265 VanDerWaalsContact O-N 3.09Å; I262-D266 PolarHBondContact O-N 3.17Å |
| 263 | N | 59.4 | Low | 67.4 | Low | 122 Ų | 122 | 117.6 Ų | 117.6 | 65% | 0.652 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.9 | -27.3 | 175.6 | -82.5 | 12.4 | 0 | 0 | 0 | 112.2 | K259 | K259-N263 PolarHBondContact O-N 3.36Å; K259-N263 VanDerWaalsContact O-N 3.08Å |
| 264 | K | 64.6 | Low | 68.2 | Low | 158 Ų | 158 | 119.6 Ų | 119.6 | 69% | 0.687 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -79.2 | -25.8 | 174.6 | -169.4 | 162.7 | 175 | 171.3 | 0 | 112.7 | K260 L261 I262 | K260-K264 WeakPolarHBondContact O-CB 3.45Å; K260-K264 PolarHBondContact O-N 3.38Å; L261-K264 PolarHBondContact O-N 3.48Å; I262-K264 PolarHBondContact O-N 3.44Å |
| 265 | I | 60.9 | Low | 69.2 | Low | 100 Ų | 100 | 116.9 Ų | 116.9 | 51% | 0.513 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -77.7 | -40.6 | 176.7 | -139.4 | 80.9 | 0 | 0 | 0 | 111.5 | L261 I262 W267 R268 | L261-I265 PolarHBondContact O-N 2.68Å; I262-I265 HydrophobicContact CD1-CG2 4.02Å; I262-I265 HydrophobicContact CG1-CG2 4.37Å; I262-I265 WeakPolarHBondContact O-CG2 3.49Å; I262-I265 PolarHBondContact O-N 3.48Å; I262-I265 VanDerWaalsContact O-N 3.09Å; I265-W267 VanDerWaalsContact C-N 3.26Å; I265-W267 PolarHBondContact O-N 2.73Å; I265-R268 PolarHBondContact O-N 3.38Å |
| 266 | D | 63.6 | Low | 70.3 | Confident | 84 Ų | 84 | 116.8 Ų | 116.8 | 45% | 0.449 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -69 | -23.3 | -177.4 | -86.5 | -1.9 | 0 | 0 | 0 | 113.4 | I262 R268 K270 | I262-D266 PolarHBondContact O-N 3.17Å; D266-R268 PolarHBondContact O-N 3.26Å; D266-K270 WeakPolarHBondContact O-CG 3.39Å; D266-K270 PolarHBondContact O-N 3.3Å |
| 267 | W | 63.6 | Low | 71.6 | Confident | 174 Ų | 174 | 115.2 Ų | 115.2 | 66% | 0.659 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -72.5 | -28.4 | -177.2 | -162.5 | 60.9 | 0 | 0 | 0 | 113.1 | I265 Q271 | I265-W267 VanDerWaalsContact C-N 3.26Å; I265-W267 PolarHBondContact O-N 2.73Å; W267-Q271 PolarHBondContact O-N 3.17Å |
| 268 | R | 65.3 | Low | 73.1 | Confident | 174 Ų | 174 | 116 Ų | 116 | 66% | 0.657 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -74.4 | -42.5 | 179.2 | -69.8 | -176.1 | 178.6 | -107 | 1 | 112.2 | I265 D266 K270 Q271 D272 | I265-R268 PolarHBondContact O-N 3.38Å; D266-R268 PolarHBondContact O-N 3.26Å; R268-K270 VanDerWaalsContact C-N 3.29Å; R268-K270 PolarHBondContact O-N 3.02Å; R268-Q271 PolarHBondContact O-N 3Å; R268-D272 PolarHBondContact O-N 3.37Å |
| 269 | H | 64.3 | Low | 74.7 | Confident | 121 Ų | 121 | 116.5 Ų | 116.5 | 56% | 0.56 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.8 | -32.7 | 176.6 | -84.8 | -78.7 | 0 | 0 | 0 | 113 | S273 | H269-S273 PolarHBondContact O-N 3.06Å |
| 270 | K | 77.6 | Confident | 76.4 | Confident | 133 Ų | 133 | 114 Ų | 114 | 58% | 0.578 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.8 | -35.4 | 175.2 | -72.6 | -179.8 | -179.4 | -177.7 | 0 | 112.5 | D266 R268 I274 | D266-K270 WeakPolarHBondContact O-CG 3.39Å; D266-K270 PolarHBondContact O-N 3.3Å; R268-K270 VanDerWaalsContact C-N 3.29Å; R268-K270 PolarHBondContact O-N 3.02Å; K270-I274 WeakPolarHBondContact O-CB 3.38Å; K270-I274 WeakPolarHBondContact O-CD1 3.43Å; K270-I274 WeakPolarHBondContact O-CG1 3.44Å; K270-I274 PolarHBondContact O-N 3.41Å |
| 271 | Q | 76.6 | Confident | 78 | Confident | 81 Ų | 81 | 107.4 Ų | 107.4 | 38% | 0.379 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.7 | -46.3 | 177.3 | -73.5 | -178.5 | -23.3 | 0 | 0 | 111.7 | W267 R268 S273 I274 V275 | W267-Q271 PolarHBondContact O-N 3.17Å; R268-Q271 PolarHBondContact O-N 3Å; Q271-S273 VanDerWaalsContact C-N 3.34Å; Q271-S273 PolarHBondContact O-N 3.25Å; Q271-I274 PolarHBondContact O-N 3.22Å; Q271-V275 WeakPolarHBondContact O-CG2 3.21Å; Q271-V275 PolarHBondContact O-N 3.2Å |
| 272 | D | 84 | Confident | 79.4 | Confident | 111 Ų | 111 | 104.7 Ų | 104.7 | 59% | 0.594 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.6 | -41.4 | 179.5 | -65.4 | -16.6 | 0 | 0 | 0 | 111.7 | R268 V275 L276 | R268-D272 PolarHBondContact O-N 3.37Å; D272-V275 PolarHBondContact O-N 3.06Å; D272-L276 WeakPolarHBondContact O-CB 3.49Å; D272-L276 PolarHBondContact O-N 3.44Å |
| 273 | S | 86.7 | Confident | 80.9 | Confident | 85 Ų | 85 | 104.3 Ų | 104.3 | 59% | 0.594 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -68.9 | -33.1 | 177.5 | -166.9 | 0 | 0 | 0 | 0 | 113.1 | H269 Q271 G277 | H269-S273 PolarHBondContact O-N 3.06Å; Q271-S273 VanDerWaalsContact C-N 3.34Å; Q271-S273 PolarHBondContact O-N 3.25Å; S273-G277 PolarHBondContact O-N 3.03Å |
| 274 | I | 87.9 | Confident | 82.6 | Confident | 119 Ų | 119 | 102.3 Ų | 102.3 | 61% | 0.61 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.7 | -44.4 | 175.4 | -78.3 | 166.8 | 0 | 0 | 0 | 110.5 | K270 Q271 G277 L278 | K270-I274 WeakPolarHBondContact O-CB 3.38Å; K270-I274 WeakPolarHBondContact O-CD1 3.43Å; K270-I274 WeakPolarHBondContact O-CG1 3.44Å; K270-I274 PolarHBondContact O-N 3.41Å; Q271-I274 PolarHBondContact O-N 3.22Å; I274-G277 PolarHBondContact O-N 3.44Å; I274-L278 WeakPolarHBondContact O-CB 3.39Å; I274-L278 PolarHBondContact O-N 3.37Å |
| 275 | V | 89.9 | Confident | 84.1 | Confident | 91 Ų | 91 | 98.6 Ų | 98.6 | 55% | 0.552 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.1 | -45.1 | 179 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | Q271 D272 G277 L278 V279 | Q271-V275 WeakPolarHBondContact O-CG2 3.21Å; Q271-V275 PolarHBondContact O-N 3.2Å; D272-V275 PolarHBondContact O-N 3.06Å; V275-G277 VanDerWaalsContact C-N 3.34Å; V275-G277 PolarHBondContact O-N 2.96Å; V275-L278 PolarHBondContact O-N 3.4Å; V275-V279 WeakPolarHBondContact O-CG2 3.47Å; V275-V279 PolarHBondContact O-N 3.09Å |
| 276 | L | 89.9 | Confident | 85.8 | Confident | 113 Ų | 113 | 100.6 Ų | 100.6 | 59% | 0.592 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.8 | -42 | 178 | -164.1 | 124.6 | 0 | 0 | 0 | 111.6 | D272 L278 V279 I280 | D272-L276 WeakPolarHBondContact O-CB 3.49Å; D272-L276 PolarHBondContact O-N 3.44Å; L276-L278 PolarHBondContact O-N 2.95Å; L276-V279 PolarHBondContact O-N 3.39Å; L276-I280 HydrophobicContact CD2-CD1 3.53Å; L276-I280 HydrophobicContact CG-CD1 4.07Å; L276-I280 WeakPolarHBondContact O-CD1 3.4Å; L276-I280 WeakPolarHBondContact O-CG1 3.32Å; L276-I280 PolarHBondContact O-N 3.01Å; L276-I280 VanDerWaalsContact O-N 3.09Å |
| 277 | G | 93.6 | Very high | 87.2 | Confident | 42 Ų | 42 | 102.1 Ų | 102.1 | 43% | 0.433 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.9 | -40 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S273 I274 V275 G281 | S273-G277 PolarHBondContact O-N 3.03Å; I274-G277 PolarHBondContact O-N 3.44Å; V275-G277 VanDerWaalsContact C-N 3.34Å; V275-G277 PolarHBondContact O-N 2.96Å; G277-G281 PolarHBondContact O-N 3.5Å |
| 278 | L | 94.5 | Very high | 88.7 | Confident | 122 Ų | 122 | 99.2 Ų | 99.2 | 64% | 0.639 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.4 | -42.8 | 177 | -172.7 | 151.8 | 0 | 0 | 0 | 111.8 | I274 V275 L276 G281 C282 | I274-L278 WeakPolarHBondContact O-CB 3.39Å; I274-L278 PolarHBondContact O-N 3.37Å; V275-L278 PolarHBondContact O-N 3.4Å; L276-L278 PolarHBondContact O-N 2.95Å; L278-G281 PolarHBondContact O-N 3.2Å; L278-C282 VanDerWaalsContact O-CB 3.32Å; L278-C282 WeakPolarHBondContact O-CB 3.38Å; L278-C282 PolarHBondContact O-N 2.9Å |
| 279 | V | 96.2 | Very high | 90.1 | Very high | 88 Ų | 88 | 95.6 Ų | 95.6 | 53% | 0.533 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 177.9 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | V275 L276 C282 C283 | V275-V279 WeakPolarHBondContact O-CG2 3.47Å; V275-V279 PolarHBondContact O-N 3.09Å; L276-V279 PolarHBondContact O-N 3.39Å; V279-C282 PolarHBondContact O-N 3.04Å; V279-C283 WeakPolarHBondContact O-CB 3.35Å; V279-C283 PolarHBondContact O-N 3.49Å |
| 280 | I | 94.8 | Very high | 91.6 | Very high | 96 Ų | 96 | 99 Ų | 99 | 49% | 0.492 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 178.1 | -74.4 | 155.5 | 0 | 0 | 0 | 111 | L276 C283 V284 | L276-I280 HydrophobicContact CD2-CD1 3.53Å; L276-I280 HydrophobicContact CG-CD1 4.07Å; L276-I280 WeakPolarHBondContact O-CD1 3.4Å; L276-I280 WeakPolarHBondContact O-CG1 3.32Å; L276-I280 PolarHBondContact O-N 3.01Å; L276-I280 VanDerWaalsContact O-N 3.09Å; I280-C283 PolarHBondContact O-N 3.3Å; I280-V284 WeakPolarHBondContact O-CG2 3.39Å; I280-V284 PolarHBondContact O-N 3.43Å |
| 281 | G | 95.8 | Very high | 92.3 | Very high | 35 Ų | 35 | 103 Ų | 103 | 36% | 0.361 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.3 | -45.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G277 L278 C283 V284 V285 | G277-G281 PolarHBondContact O-N 3.5Å; L278-G281 PolarHBondContact O-N 3.2Å; G281-C283 VanDerWaalsContact C-N 3.32Å; G281-C283 PolarHBondContact O-N 3.05Å; G281-V284 PolarHBondContact O-N 3.34Å; G281-V285 WeakPolarHBondContact O-CG2 3.37Å; G281-V285 PolarHBondContact O-N 3.41Å |
| 282 | C | 96 | Very high | 93.1 | Very high | 65 Ų | 65 | 108.2 Ų | 108.2 | 44% | 0.439 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -60.7 | -42.4 | 177.3 | -169.6 | 0 | 0 | 0 | 0 | 111.6 | L278 V279 V284 V285 F286 | L278-C282 VanDerWaalsContact O-CB 3.32Å; L278-C282 WeakPolarHBondContact O-CB 3.38Å; L278-C282 PolarHBondContact O-N 2.9Å; V279-C282 PolarHBondContact O-N 3.04Å; C282-V284 PolarHBondContact O-N 3.3Å; C282-V285 PolarHBondContact O-N 2.98Å; C282-F286 PolarHBondContact O-N 2.97Å |
| 283 | C | 94.2 | Very high | 93.3 | Very high | 77 Ų | 77 | 113.7 Ų | 113.7 | 52% | 0.52 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.6 | -41.9 | 178.4 | -152.8 | 0 | 0 | 0 | 0 | 112 | V279 I280 G281 F286 L287 | V279-C283 WeakPolarHBondContact O-CB 3.35Å; V279-C283 PolarHBondContact O-N 3.49Å; I280-C283 PolarHBondContact O-N 3.3Å; G281-C283 VanDerWaalsContact C-N 3.32Å; G281-C283 PolarHBondContact O-N 3.05Å; C283-F286 PolarHBondContact O-N 3.36Å; C283-L287 WeakPolarHBondContact O-CG 3.49Å; C283-L287 PolarHBondContact O-N 3.41Å |
| 284 | V | 95.4 | Very high | 93.6 | Very high | 79 Ų | 79 | 115.1 Ų | 115.1 | 48% | 0.479 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.3 | -40.9 | 175.8 | 173.5 | 0 | 0 | 0 | 0 | 111.7 | I280 G281 C282 L287 L288 | I280-V284 WeakPolarHBondContact O-CG2 3.39Å; I280-V284 PolarHBondContact O-N 3.43Å; G281-V284 PolarHBondContact O-N 3.34Å; C282-V284 PolarHBondContact O-N 3.3Å; V284-L287 PolarHBondContact O-N 2.98Å; V284-L288 HydrophobicContact CG1-CD1 4.42Å; V284-L288 WeakPolarHBondContact O-CG 3.41Å; V284-L288 PolarHBondContact O-N 3.03Å |
| 285 | V | 95.6 | Very high | 93.9 | Very high | 80 Ų | 80 | 114.9 Ų | 114.9 | 49% | 0.485 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.3 | -44.2 | 176.7 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | G281 C282 L287 L288 I289 | G281-V285 WeakPolarHBondContact O-CG2 3.37Å; G281-V285 PolarHBondContact O-N 3.41Å; C282-V285 PolarHBondContact O-N 2.98Å; V285-L287 VanDerWaalsContact C-N 3.34Å; V285-L287 PolarHBondContact O-N 3.44Å; V285-L288 PolarHBondContact O-N 3.22Å; V285-I289 HydrophobicContact CG1-CD1 3.88Å; V285-I289 WeakPolarHBondContact O-CG1 3.36Å; V285-I289 PolarHBondContact O-N 3.02Å |
| 286 | F | 95.5 | Very high | 94.2 | Very high | 142 Ų | 142 | 116.2 Ų | 116.2 | 62% | 0.623 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -61 | -40.3 | 175.6 | -100 | -83.2 | 0 | 0 | 0 | 112.5 | C282 C283 I289 Y290 | C282-F286 PolarHBondContact O-N 2.97Å; C283-F286 PolarHBondContact O-N 3.36Å; F286-I289 PolarHBondContact O-N 2.91Å; F286-Y290 WeakPolarHBondContact O-CB 3.39Å; F286-Y290 PolarHBondContact O-N 3.04Å |
| 287 | L | 94 | Very high | 94.4 | Very high | 116 Ų | 116 | 116.4 Ų | 116.4 | 61% | 0.607 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.5 | -35.6 | 175.6 | -72.7 | 180 | 0 | 0 | 0 | 112.8 | C283 V284 V285 R291 | C283-L287 WeakPolarHBondContact O-CG 3.49Å; C283-L287 PolarHBondContact O-N 3.41Å; V284-L287 PolarHBondContact O-N 2.98Å; V285-L287 VanDerWaalsContact C-N 3.34Å; V285-L287 PolarHBondContact O-N 3.44Å; L287-R291 VanDerWaalsContact O-CB 3.3Å; L287-R291 WeakPolarHBondContact O-CB 3.3Å; L287-R291 PolarHBondContact O-N 3.39Å |
| 288 | L | 94.1 | Very high | 94.5 | Very high | 113 Ų | 113 | 121.1 Ų | 121.1 | 59% | 0.592 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -67.2 | -40.8 | 174.4 | -76.6 | 173.5 | 0 | 0 | 0 | 111.8 | V284 V285 R291 F292 | V284-L288 HydrophobicContact CG1-CD1 4.42Å; V284-L288 WeakPolarHBondContact O-CG 3.41Å; V284-L288 PolarHBondContact O-N 3.03Å; V285-L288 PolarHBondContact O-N 3.22Å; L288-R291 PolarHBondContact O-N 3Å; L288-F292 WeakPolarHBondContact O-CB 3.4Å; L288-F292 PolarHBondContact O-N 3.37Å |
| 289 | I | 95.3 | Very high | 94.5 | Very high | 99 Ų | 99 | 121 Ų | 121 | 51% | 0.508 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -64.4 | -46.7 | 175.5 | -67.3 | 164.4 | 0 | 0 | 0 | 110.3 | V285 F286 R291 F292 F293 | V285-I289 HydrophobicContact CG1-CD1 3.88Å; V285-I289 WeakPolarHBondContact O-CG1 3.36Å; V285-I289 PolarHBondContact O-N 3.02Å; F286-I289 PolarHBondContact O-N 2.91Å; I289-R291 PolarHBondContact O-N 2.97Å; I289-F292 PolarHBondContact O-N 3.21Å; I289-F293 WeakPolarHBondContact O-CB 3.37Å; I289-F293 PolarHBondContact O-N 3.31Å |
| 290 | Y | 95.4 | Very high | 94.3 | Very high | 191 Ų | 191 | 123.4 Ų | 123.4 | 75% | 0.749 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -66.1 | -24.5 | 178.8 | -174.9 | -95.8 | 0 | 0 | 0 | 113.7 | F286 F293 | F286-Y290 WeakPolarHBondContact O-CB 3.39Å; F286-Y290 PolarHBondContact O-N 3.04Å; Y290-F293 VanDerWaalsContact O-OXT 3.08Å |
| 291 | R | 93 | Very high | 94.3 | Very high | 218 Ų | 218 | 125.5 Ų | 125.5 | 82% | 0.823 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -83.9 | -29.3 | 175.4 | -179.3 | 174.3 | 168.5 | 82.2 | 2.7 | 112.5 | L287 L288 I289 | L287-R291 VanDerWaalsContact O-CB 3.3Å; L287-R291 WeakPolarHBondContact O-CB 3.3Å; L287-R291 PolarHBondContact O-N 3.39Å; L288-R291 PolarHBondContact O-N 3Å; I289-R291 PolarHBondContact O-N 2.97Å |
| 292 | F | 93.4 | Very high | 94.2 | Very high | 191 Ų | 191 | 133 Ų | 133 | 84% | 0.838 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -83.6 | -30.2 | -179.4 | -174.1 | -97.1 | 0 | 0 | 0 | 112.5 | L288 I289 | L288-F292 WeakPolarHBondContact O-CB 3.4Å; L288-F292 PolarHBondContact O-N 3.37Å; I289-F292 PolarHBondContact O-N 3.21Å |
| 293 | F | 88.1 | Confident | 94 | Very high | 225 Ų | 225 | 139.2 Ų | 139.2 | 99% | 0.987 | 66% | 0.655 | S | S | * | * | trans | -95.7 | 0 | 178.5 | -142.5 | -83 | 0 | 0 | 0 | 111.5 | I289 Y290 | I289-F293 WeakPolarHBondContact O-CB 3.37Å; I289-F293 PolarHBondContact O-N 3.31Å; Y290-F293 VanDerWaalsContact O-OXT 3.08Å |
Retrieved 293 of 293 residues in 86.4 ms
(Link to these results)