| 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 | 68.9 | Low | 83.6 | Confident | 189 Ų | 189 | 60.4 Ų | 60.4 | 93% | 0.931 | 30% | 0.302 | S | S | * | . | 0 | -40.1 | 0 | -52.1 | -42.3 | -111 | 0 | 0 | 114.7 | Y3 V4 C5 | M1-Y3 PolarHBondContact O-N 2.77Å; M1-V4 PolarHBondContact O-N 3.4Å; M1-C5 PolarHBondContact O-N 3.28Å; M1-C5 PolarHBondContact O-SG 3.21Å | |||
| 2 | R | 83.6 | Confident | 83.3 | Confident | 164 Ų | 164 | 66.9 Ų | 66.9 | 62% | 0.619 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -55.5 | -42.3 | -175.3 | -61.5 | 173.9 | -174.9 | 173 | 2.9 | 115.5 | C5 A6 L27 I32 | R2-C5 PolarHBondContact O-N 2.78Å; R2-A6 WeakPolarHBondContact O-CB 3.41Å; R2-A6 PolarHBondContact O-N 3.01Å; R2-L27 HydrophobicContact CB-CD2 4.19Å; R2-I32 HydrophobicContact CG-CD1 4.49Å |
| 3 | Y | 85.1 | Confident | 83.5 | Confident | 32 Ų | 32 | 66.8 Ų | 66.8 | 13% | 0.125 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.7 | -40.8 | 179.2 | -63.9 | -89.7 | 0 | 0 | 0 | 112.9 | M1 A6 Y7 I23 L27 D33 D35 K38 A39 | M1-Y3 PolarHBondContact O-N 2.77Å; Y3-A6 PolarHBondContact O-N 3.25Å; Y3-Y7 WeakPolarHBondContact O-CB 3.44Å; Y3-Y7 PolarHBondContact O-N 3.27Å; Y3-I23 HydrophobicContact CD1-CG2 4.01Å; Y3-L27 HydrophobicContact CD1-CD1 3.72Å; Y3-L27 HydrophobicContact CE1-CD1 3.56Å; Y3-L27 HydrophobicContact CG-CD1 4.46Å; Y3-D33 PolarHBondContact OH-O 3.22Å; Y3-D35 WeakPolarHBondContact OH-CB 3.35Å; Y3-D35 PolarHBondContact OH-N 3.08Å; Y3-K38 HydrophobicContact CD1-CB 4.11Å; Y3-K38 HydrophobicContact CD2-CB 4.11Å; Y3-K38 HydrophobicContact CD2-CD 4.48Å; Y3-K38 HydrophobicContact CE1-CB 3.75Å; Y3-K38 HydrophobicContact CE2-CB 3.81Å; Y3-K38 HydrophobicContact CE2-CD 3.67Å; Y3-K38 HydrophobicContact CE2-CG 4.39Å; Y3-K38 HydrophobicContact CG-CB 4.29Å; Y3-A39 HydrophobicContact CD1-CB 4.17Å; Y3-A39 HydrophobicContact CE1-CB 4.34Å |
| 4 | V | 83.8 | Confident | 83.4 | Confident | 47 Ų | 47 | 66.5 Ų | 66.5 | 29% | 0.285 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.6 | -44.8 | 176.7 | -176.9 | 0 | 0 | 0 | 0 | 109.9 | M1 A6 Y7 V8 V42 L54 | M1-V4 PolarHBondContact O-N 3.4Å; V4-A6 PolarHBondContact O-N 2.8Å; V4-Y7 WeakPolarHBondContact O-CB 3.49Å; V4-Y7 PolarHBondContact O-N 2.96Å; V4-V8 VanDerWaalsContact O-CG2 3.31Å; V4-V8 WeakPolarHBondContact O-CG2 3.18Å; V4-V8 PolarHBondContact O-N 3.06Å; V4-V42 HydrophobicContact CG2-CG1 4.25Å; V4-V42 HydrophobicContact CG2-CG2 4.23Å; V4-L54 HydrophobicContact CG1-CD1 4.48Å; V4-L54 HydrophobicContact CG1-CD2 4.14Å |
| 5 | C | 84.1 | Confident | 83.1 | Confident | 69 Ų | 69 | 67.3 Ų | 67.3 | 47% | 0.466 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 174.8 | -58.8 | 0 | 0 | 0 | 0 | 111.9 | M1 R2 Y7 V8 L9 | M1-C5 PolarHBondContact O-N 3.28Å; M1-C5 PolarHBondContact O-SG 3.21Å; R2-C5 PolarHBondContact O-N 2.78Å; C5-Y7 VanDerWaalsContact C-N 3.34Å; C5-Y7 PolarHBondContact O-N 3.33Å; C5-V8 PolarHBondContact O-N 3.32Å; C5-L9 WeakPolarHBondContact O-CB 3.15Å; C5-L9 VanDerWaalsContact O-CG 3.26Å; C5-L9 WeakPolarHBondContact O-CG 3.49Å; C5-L9 PolarHBondContact O-N 3.12Å |
| 6 | A | 86.9 | Confident | 82.5 | Confident | 2 Ų | 2 | 68.1 Ų | 68.1 | 2% | 0.017 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | R2 Y3 V4 L9 A10 I23 I26 L27 | R2-A6 WeakPolarHBondContact O-CB 3.41Å; R2-A6 PolarHBondContact O-N 3.01Å; Y3-A6 PolarHBondContact O-N 3.25Å; V4-A6 PolarHBondContact O-N 2.8Å; A6-L9 PolarHBondContact O-N 3.05Å; A6-A10 WeakPolarHBondContact O-CB 3.23Å; A6-A10 PolarHBondContact O-N 2.99Å; A6-I23 HydrophobicContact CB-CG2 4.06Å; A6-I26 HydrophobicContact CB-CB 4.19Å; A6-I26 HydrophobicContact CB-CG2 3.82Å; A6-I26 VanDerWaalsContact O-CD1 3.24Å; A6-I26 WeakPolarHBondContact O-CD1 3.5Å; A6-L27 HydrophobicContact CB-CD2 4.27Å; A6-L27 HydrophobicContact CB-CG 4.28Å |
| 7 | Y | 85.7 | Confident | 82.4 | Confident | 10 Ų | 10 | 75.2 Ų | 75.2 | 4% | 0.039 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 174.6 | -176.7 | -94.3 | 0 | 0 | 0 | 111.6 | Y3 V4 C5 L9 A10 V11 P18 I23 V42 V43 C46 V51 L54 | Y3-Y7 WeakPolarHBondContact O-CB 3.44Å; Y3-Y7 PolarHBondContact O-N 3.27Å; V4-Y7 WeakPolarHBondContact O-CB 3.49Å; V4-Y7 PolarHBondContact O-N 2.96Å; C5-Y7 VanDerWaalsContact C-N 3.34Å; C5-Y7 PolarHBondContact O-N 3.33Å; Y7-L9 PolarHBondContact O-N 3.42Å; Y7-A10 PolarHBondContact O-N 3.49Å; Y7-V11 HydrophobicContact CD1-CG2 4.48Å; Y7-V11 HydrophobicContact CE1-CG2 4.27Å; Y7-V11 VanDerWaalsContact O-CG2 3.25Å; Y7-V11 WeakPolarHBondContact O-CG2 3.35Å; Y7-V11 PolarHBondContact O-N 3.37Å; Y7-V11 VanDerWaalsContact O-N 3.13Å; Y7-P18 HydrophobicContact CD2-CB 3.68Å; Y7-P18 HydrophobicContact CD2-CG 3.67Å; Y7-P18 HydrophobicContact CE2-CB 3.84Å; Y7-P18 HydrophobicContact CE2-CG 3.64Å; Y7-P18 WeakPolarHBondContact CE2-O 3.38Å; Y7-P18 HydrophobicContact CG-CG 4.2Å; Y7-P18 WeakPolarHBondContact O-CG 3.35Å; Y7-I23 HydrophobicContact CD2-CD1 4.12Å; Y7-V42 HydrophobicContact CG-CG1 4.34Å; Y7-V43 HydrophobicContact CD2-CG2 4.42Å; Y7-V43 HydrophobicContact CE2-CG2 4.46Å; Y7-C46 HydrophobicContact CD1-CB 3.75Å; Y7-C46 HydrophobicContact CE1-CB 3.19Å; Y7-C46 HydrophobicContact CE2-CB 4.08Å; Y7-C46 HydrophobicContact CG-CB 4.37Å; Y7-C46 PolarHBondContact OH-O 2.98Å; Y7-C46 VanDerWaalsContact OH-O 3.12Å; Y7-V51 HydrophobicContact CD1-CG1 3.95Å; Y7-V51 HydrophobicContact CD1-CG2 4.38Å; Y7-V51 HydrophobicContact CE1-CB 4.14Å; Y7-V51 HydrophobicContact CE1-CG1 3.78Å; Y7-V51 HydrophobicContact CE1-CG2 3.4Å; Y7-V51 VanDerWaalsContact CE1-CG2 3.4Å; Y7-L54 HydrophobicContact CD1-CD1 4.22Å; Y7-L54 HydrophobicContact CE1-CD1 4.31Å |
| 8 | V | 83.9 | Confident | 82.3 | Confident | 14 Ų | 14 | 71.2 Ų | 71.2 | 9% | 0.085 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62 | -44.2 | 175.7 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | V4 C5 A10 V11 M12 V51 L54 I55 | V4-V8 VanDerWaalsContact O-CG2 3.31Å; V4-V8 WeakPolarHBondContact O-CG2 3.18Å; V4-V8 PolarHBondContact O-N 3.06Å; C5-V8 PolarHBondContact O-N 3.32Å; V8-A10 VanDerWaalsContact C-N 3.33Å; V8-A10 PolarHBondContact O-N 3.37Å; V8-V11 WeakPolarHBondContact O-CB 3.44Å; V8-V11 PolarHBondContact O-N 2.95Å; V8-V11 VanDerWaalsContact O-N 3.17Å; V8-M12 HydrophobicContact CG1-SD 4.28Å; V8-M12 WeakPolarHBondContact O-CG 3.16Å; V8-M12 PolarHBondContact O-N 3.43Å; V8-V51 HydrophobicContact CG2-CG1 4.02Å; V8-L54 HydrophobicContact CG2-CB 4.06Å; V8-I55 HydrophobicContact CG1-CD1 4.48Å; V8-I55 HydrophobicContact CG1-CG1 3.79Å |
| 9 | L | 84.7 | Confident | 82.6 | Confident | 100 Ų | 100 | 71.9 Ų | 71.9 | 52% | 0.524 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.7 | -38.9 | 177 | -74.2 | 172.7 | 0 | 0 | 0 | 112.3 | C5 A6 Y7 V11 M12 G13 I26 | C5-L9 WeakPolarHBondContact O-CB 3.15Å; C5-L9 VanDerWaalsContact O-CG 3.26Å; C5-L9 WeakPolarHBondContact O-CG 3.49Å; C5-L9 PolarHBondContact O-N 3.12Å; A6-L9 PolarHBondContact O-N 3.05Å; Y7-L9 PolarHBondContact O-N 3.42Å; L9-V11 VanDerWaalsContact C-N 3.29Å; L9-V11 PolarHBondContact O-N 3.34Å; L9-M12 PolarHBondContact O-N 2.99Å; L9-G13 PolarHBondContact O-N 2.82Å; L9-I26 HydrophobicContact CB-CD1 4.33Å; L9-I26 HydrophobicContact CD1-CG2 4.46Å |
| 10 | A | 86.7 | Confident | 82.9 | Confident | 3 Ų | 3 | 69.9 Ų | 69.9 | 3% | 0.025 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.1 | -39.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A6 Y7 V8 G13 G14 N15 P18 I26 | A6-A10 WeakPolarHBondContact O-CB 3.23Å; A6-A10 PolarHBondContact O-N 2.99Å; Y7-A10 PolarHBondContact O-N 3.49Å; V8-A10 VanDerWaalsContact C-N 3.33Å; V8-A10 PolarHBondContact O-N 3.37Å; A10-G13 PolarHBondContact O-N 3.4Å; A10-G14 PolarHBondContact O-N 3.25Å; A10-N15 WeakPolarHBondContact O-CB 3.41Å; A10-N15 PolarHBondContact O-N 3.49Å; A10-P18 HydrophobicContact CB-CB 3.49Å; A10-P18 VanDerWaalsContact CB-CB 3.49Å; A10-P18 HydrophobicContact CB-CG 3.49Å; A10-P18 VanDerWaalsContact CB-CG 3.49Å; A10-I26 HydrophobicContact CB-CD1 3.63Å |
| 11 | V | 85.9 | Confident | 83.2 | Confident | 34 Ų | 34 | 69.7 Ų | 69.7 | 21% | 0.206 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -67.3 | -46.1 | 177.9 | 177.4 | 0 | 0 | 0 | 0 | 110.7 | Y7 V8 L9 G13 G14 N15 P18 V51 | Y7-V11 HydrophobicContact CD1-CG2 4.48Å; Y7-V11 HydrophobicContact CE1-CG2 4.27Å; Y7-V11 VanDerWaalsContact O-CG2 3.25Å; Y7-V11 WeakPolarHBondContact O-CG2 3.35Å; Y7-V11 PolarHBondContact O-N 3.37Å; Y7-V11 VanDerWaalsContact O-N 3.13Å; V8-V11 WeakPolarHBondContact O-CB 3.44Å; V8-V11 PolarHBondContact O-N 2.95Å; V8-V11 VanDerWaalsContact O-N 3.17Å; L9-V11 VanDerWaalsContact C-N 3.29Å; L9-V11 PolarHBondContact O-N 3.34Å; V11-G13 PolarHBondContact O-N 3.45Å; V11-G14 PolarHBondContact O-N 2.84Å; V11-N15 WeakPolarHBondContact CA-O 3.46Å; V11-P18 HydrophobicContact CG2-CG 3.4Å; V11-P18 VanDerWaalsContact CG2-CG 3.4Å; V11-V51 HydrophobicContact CB-CB 4.46Å; V11-V51 HydrophobicContact CB-CG1 4.09Å; V11-V51 HydrophobicContact CB-CG2 4.43Å; V11-V51 HydrophobicContact CG1-CB 4.1Å; V11-V51 HydrophobicContact CG1-CG1 4.21Å; V11-V51 HydrophobicContact CG1-CG2 4.17Å; V11-V51 HydrophobicContact CG2-CB 4.05Å; V11-V51 HydrophobicContact CG2-CG1 3.75Å; V11-V51 HydrophobicContact CG2-CG2 3.6Å |
| 12 | M | 80.8 | Confident | 84.1 | Confident | 139 Ų | 139 | 62.2 Ų | 62.2 | 69% | 0.685 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61.7 | -30.5 | 173.2 | -67.8 | -176 | 75.8 | 0 | 0 | 112.4 | V8 L9 G14 | V8-M12 HydrophobicContact CG1-SD 4.28Å; V8-M12 WeakPolarHBondContact O-CG 3.16Å; V8-M12 PolarHBondContact O-N 3.43Å; L9-M12 PolarHBondContact O-N 2.99Å; M12-G14 PolarHBondContact O-N 3.3Å |
| 13 | G | 85.2 | Confident | 84.4 | Confident | 65 Ų | 65 | 54.4 Ų | 54.4 | 67% | 0.67 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -1.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L9 A10 V11 | L9-G13 PolarHBondContact O-N 2.82Å; A10-G13 PolarHBondContact O-N 3.4Å; V11-G13 PolarHBondContact O-N 3.45Å |
| 14 | G | 82.3 | Confident | 84.7 | Confident | 63 Ų | 63 | 56.7 Ų | 56.7 | 65% | 0.649 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.1 | -1.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | A10 V11 M12 A16 | A10-G14 PolarHBondContact O-N 3.25Å; V11-G14 PolarHBondContact O-N 2.84Å; M12-G14 PolarHBondContact O-N 3.3Å; G14-A16 PolarHBondContact O-N 3.13Å |
| 15 | N | 78.6 | Confident | 85 | Confident | 79 Ų | 79 | 60.8 Ų | 60.8 | 42% | 0.422 | 36% | 0.355 | S | S | . | . | trans | -89.3 | 84.7 | 174.5 | -63.1 | -30.8 | 0 | 0 | 0 | 109.5 | A10 V11 K17 P18 | A10-N15 WeakPolarHBondContact O-CB 3.41Å; A10-N15 PolarHBondContact O-N 3.49Å; V11-N15 WeakPolarHBondContact CA-O 3.46Å; N15-K17 PolarHBondContact O-N 2.79Å; N15-P18 WeakPolarHBondContact O-CD 3.25Å; N15-P18 WeakPolarHBondContact O-CG 3.43Å | ||
| 16 | A | 74.6 | Confident | 85.2 | Confident | 79 Ų | 79 | 59.4 Ų | 59.4 | 65% | 0.653 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -58.2 | -19.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | G14 | G14-A16 PolarHBondContact O-N 3.13Š|
| 17 | K | 79.7 | Confident | 85.3 | Confident | 189 Ų | 189 | 59.5 Ų | 59.5 | 82% | 0.822 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -131.1 | 80.3 | 171.5 | -67.2 | -173.6 | 179.5 | -172.5 | 0 | 109.3 | N15 D19 | N15-K17 PolarHBondContact O-N 2.79Å; K17-D19 PolarHBondContact O-N 3.14Å |
| 18 | P | 81.3 | Confident | 85.6 | Confident | 4 Ų | 4 | 63.5 Ų | 63.5 | 3% | 0.026 | 37% | 0.365 | C | S | . | . | trans | -62.5 | 132.1 | 173.9 | -13 | 26.2 | 0 | 0 | 0 | 109.6 | Y7 A10 V11 N15 D22 | Y7-P18 HydrophobicContact CD2-CB 3.68Å; Y7-P18 HydrophobicContact CD2-CG 3.67Å; Y7-P18 HydrophobicContact CE2-CB 3.84Å; Y7-P18 HydrophobicContact CE2-CG 3.64Å; Y7-P18 WeakPolarHBondContact CE2-O 3.38Å; Y7-P18 HydrophobicContact CG-CG 4.2Å; Y7-P18 WeakPolarHBondContact O-CG 3.35Å; A10-P18 HydrophobicContact CB-CB 3.49Å; A10-P18 VanDerWaalsContact CB-CB 3.49Å; A10-P18 HydrophobicContact CB-CG 3.49Å; A10-P18 VanDerWaalsContact CB-CG 3.49Å; V11-P18 HydrophobicContact CG2-CG 3.4Å; V11-P18 VanDerWaalsContact CG2-CG 3.4Å; N15-P18 WeakPolarHBondContact O-CD 3.25Å; N15-P18 WeakPolarHBondContact O-CG 3.43Å; P18-D22 HydrophobicContact CB-CB 4.38Å | ||
| 19 | D | 87.5 | Confident | 85.8 | Confident | 85 Ų | 85 | 67.4 Ų | 67.4 | 46% | 0.455 | 39% | 0.392 | S | S | . | . | trans | -104.5 | 173.3 | 173.3 | -163.3 | 8.2 | 0 | 0 | 0 | 110.2 | K17 P21 D22 I23 | K17-D19 PolarHBondContact O-N 3.14Å; D19-P21 VanDerWaalsContact C-N 3.29Å; D19-P21 HydrophobicContact CB-CG 4.1Å; D19-D22 PolarHBondContact N-OD2 3.29Å; D19-D22 PolarHBondContact O-N 3.47Å; D19-I23 PolarHBondContact O-N 3Å; D19-I23 VanDerWaalsContact O-N 3.16Å | ||
| 20 | V | 88.1 | Confident | 86 | Confident | 31 Ų | 31 | 67.4 Ų | 67.4 | 19% | 0.188 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -43.2 | -46.2 | 173.9 | -178.9 | 0 | 0 | 0 | 0 | 113.4 | D22 I23 K24 D36 A39 A40 V43 | V20-D22 VanDerWaalsContact C-N 3.31Å; V20-D22 PolarHBondContact O-N 3.46Å; V20-I23 PolarHBondContact O-N 3.26Å; V20-K24 WeakPolarHBondContact O-CB 3.49Å; V20-K24 PolarHBondContact O-N 3.22Å; V20-D36 HydrophobicContact CG1-CB 4.41Å; V20-A39 HydrophobicContact CG1-CB 3.97Å; V20-A39 HydrophobicContact CG2-CB 4.42Å; V20-A40 HydrophobicContact CG2-CB 4.13Å; V20-V43 HydrophobicContact CG2-CG2 4.44Å |
| 21 | P | 89.7 | Confident | 86.1 | Confident | 65 Ų | 65 | 70.6 Ų | 70.6 | 42% | 0.422 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.5 | -30.2 | 177.4 | 24.2 | -36.4 | 0 | 0 | 0 | 114.3 | D19 K25 | D19-P21 VanDerWaalsContact C-N 3.29Å; D19-P21 HydrophobicContact CB-CG 4.1Å; P21-K25 VanDerWaalsContact O-CG 3.29Å; P21-K25 WeakPolarHBondContact O-CG 3.31Å; P21-K25 PolarHBondContact O-N 2.85Å; P21-K25 VanDerWaalsContact O-N 3.08Å |
| 22 | D | 88.6 | Confident | 86.2 | Confident | 33 Ų | 33 | 70.7 Ų | 70.7 | 18% | 0.176 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -77.6 | -40.6 | -179.1 | -59.7 | -44.5 | 0 | 0 | 0 | 111.1 | P18 D19 V20 K24 K25 I26 | P18-D22 HydrophobicContact CB-CB 4.38Å; D19-D22 PolarHBondContact N-OD2 3.29Å; D19-D22 PolarHBondContact O-N 3.47Å; V20-D22 VanDerWaalsContact C-N 3.31Å; V20-D22 PolarHBondContact O-N 3.46Å; D22-K24 VanDerWaalsContact C-N 3.27Å; D22-K24 PolarHBondContact O-N 3.41Å; D22-K25 PolarHBondContact O-N 2.94Å; D22-K25 IonicContact OD1-NZ 3.41Å; D22-K25 PolarHBondContact OD1-NZ 2.93Å; D22-I26 WeakPolarHBondContact O-CG1 3.08Å; D22-I26 PolarHBondContact O-N 3.45Å; D22-I26 VanDerWaalsContact O-N 3.16Å |
| 23 | I | 89.1 | Confident | 86.5 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -58.8 | -43.6 | 171.4 | -63.2 | 177.2 | 0 | 0 | 0 | 110.1 | Y3 A6 Y7 D19 V20 I26 L27 A39 V43 | Y3-I23 HydrophobicContact CD1-CG2 4.01Å; A6-I23 HydrophobicContact CB-CG2 4.06Å; Y7-I23 HydrophobicContact CD2-CD1 4.12Å; D19-I23 PolarHBondContact O-N 3Å; D19-I23 VanDerWaalsContact O-N 3.16Å; V20-I23 PolarHBondContact O-N 3.26Å; I23-I26 PolarHBondContact O-N 3.49Å; I23-L27 HydrophobicContact CG2-CD1 3.81Å; I23-L27 HydrophobicContact CG2-CG 4.32Å; I23-L27 WeakPolarHBondContact O-CG 3.29Å; I23-L27 PolarHBondContact O-N 3.16Å; I23-A39 HydrophobicContact CB-CB 4.4Å; I23-A39 HydrophobicContact CD1-CB 4.26Å; I23-A39 HydrophobicContact CG2-CB 4.1Å; I23-V43 HydrophobicContact CD1-CG2 3.54Å |
| 24 | K | 90.9 | Very high | 86.5 | Confident | 80 Ų | 80 | 69 Ų | 69 | 35% | 0.348 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.4 | -48.2 | 178.4 | -173.5 | 164.6 | -171.8 | 163 | 0 | 112.4 | V20 D22 I26 L27 D28 C34 D36 | V20-K24 WeakPolarHBondContact O-CB 3.49Å; V20-K24 PolarHBondContact O-N 3.22Å; D22-K24 VanDerWaalsContact C-N 3.27Å; D22-K24 PolarHBondContact O-N 3.41Å; K24-I26 VanDerWaalsContact C-N 3.26Å; K24-I26 PolarHBondContact O-N 3.21Å; K24-L27 PolarHBondContact O-N 3.11Å; K24-D28 VanDerWaalsContact O-CB 3.31Å; K24-D28 WeakPolarHBondContact O-CB 3.43Å; K24-D28 PolarHBondContact O-N 3.17Å; K24-C34 HydrophobicContact CB-CB 4.15Å; K24-C34 HydrophobicContact CD-CB 4.5Å; K24-C34 HydrophobicContact CG-CB 3.87Å; K24-D36 IonicContact NZ-OD1 3.6Å |
| 25 | K | 90.3 | Very high | 86.8 | Confident | 133 Ų | 133 | 69 Ų | 69 | 58% | 0.578 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -56.2 | -40.2 | 176 | -72 | 167.2 | -168.4 | 162.2 | 0 | 112.6 | P21 D22 S29 | P21-K25 VanDerWaalsContact O-CG 3.29Å; P21-K25 WeakPolarHBondContact O-CG 3.31Å; P21-K25 PolarHBondContact O-N 2.85Å; P21-K25 VanDerWaalsContact O-N 3.08Å; D22-K25 PolarHBondContact O-N 2.94Å; D22-K25 IonicContact OD1-NZ 3.41Å; D22-K25 PolarHBondContact OD1-NZ 2.93Å; K25-S29 WeakPolarHBondContact O-CB 3.29Å; K25-S29 PolarHBondContact O-N 3.44Å |
| 26 | I | 89.7 | Confident | 87.2 | Confident | 40 Ų | 40 | 69.2 Ų | 69.2 | 21% | 0.205 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -69.2 | -46.6 | 178.5 | -66.7 | 170.5 | 0 | 0 | 0 | 110.6 | A6 L9 A10 D22 I23 K24 D28 S29 V30 | A6-I26 HydrophobicContact CB-CB 4.19Å; A6-I26 HydrophobicContact CB-CG2 3.82Å; A6-I26 VanDerWaalsContact O-CD1 3.24Å; A6-I26 WeakPolarHBondContact O-CD1 3.5Å; L9-I26 HydrophobicContact CB-CD1 4.33Å; L9-I26 HydrophobicContact CD1-CG2 4.46Å; A10-I26 HydrophobicContact CB-CD1 3.63Å; D22-I26 WeakPolarHBondContact O-CG1 3.08Å; D22-I26 PolarHBondContact O-N 3.45Å; D22-I26 VanDerWaalsContact O-N 3.16Å; I23-I26 PolarHBondContact O-N 3.49Å; K24-I26 VanDerWaalsContact C-N 3.26Å; K24-I26 PolarHBondContact O-N 3.21Å; I26-D28 VanDerWaalsContact C-N 3.35Å; I26-D28 PolarHBondContact O-N 3.36Å; I26-S29 PolarHBondContact O-N 2.9Å; I26-S29 PolarHBondContact O-OG 3.03Å; I26-V30 PolarHBondContact O-N 3.32Å |
| 27 | L | 89.1 | Confident | 87.8 | Confident | 4 Ų | 4 | 73 Ų | 73 | 2% | 0.021 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64.8 | -39.8 | 178.5 | -69.3 | 176.2 | 0 | 0 | 0 | 112 | R2 Y3 A6 I23 K24 S29 V30 G31 I32 C34 | R2-L27 HydrophobicContact CB-CD2 4.19Å; Y3-L27 HydrophobicContact CD1-CD1 3.72Å; Y3-L27 HydrophobicContact CE1-CD1 3.56Å; Y3-L27 HydrophobicContact CG-CD1 4.46Å; A6-L27 HydrophobicContact CB-CD2 4.27Å; A6-L27 HydrophobicContact CB-CG 4.28Å; I23-L27 HydrophobicContact CG2-CD1 3.81Å; I23-L27 HydrophobicContact CG2-CG 4.32Å; I23-L27 WeakPolarHBondContact O-CG 3.29Å; I23-L27 PolarHBondContact O-N 3.16Å; K24-L27 PolarHBondContact O-N 3.11Å; L27-S29 VanDerWaalsContact C-N 3.31Å; L27-S29 PolarHBondContact O-N 3.44Å; L27-V30 CarbonylContact O-C 3.53Å; L27-V30 PolarHBondContact O-N 3.47Å; L27-V30 VanDerWaalsContact O-N 3.12Å; L27-G31 PolarHBondContact O-N 2.99Å; L27-I32 CarbonylContact C-O 3.5Å; L27-I32 HydrophobicContact CB-CB 4.3Å; L27-I32 HydrophobicContact CD2-CB 4.14Å; L27-I32 HydrophobicContact CD2-CD1 4.11Å; L27-I32 HydrophobicContact CD2-CG2 4.06Å; L27-I32 PolarHBondContact O-N 2.91Å; L27-C34 HydrophobicContact CB-CB 4.14Å; L27-C34 HydrophobicContact CD1-CB 3.82Å |
| 28 | D | 90 | Very high | 88.1 | Confident | 94 Ų | 94 | 69.2 Ų | 69.2 | 50% | 0.503 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.5 | -38.9 | 174.2 | -68.9 | -15.8 | 0 | 0 | 0 | 111.3 | K24 I26 V30 G31 | K24-D28 VanDerWaalsContact O-CB 3.31Å; K24-D28 WeakPolarHBondContact O-CB 3.43Å; K24-D28 PolarHBondContact O-N 3.17Å; I26-D28 VanDerWaalsContact C-N 3.35Å; I26-D28 PolarHBondContact O-N 3.36Å; D28-V30 PolarHBondContact O-N 3.47Å; D28-G31 PolarHBondContact O-N 3.16Å |
| 29 | S | 89 | Confident | 88.3 | Confident | 95 Ų | 95 | 69 Ų | 69 | 66% | 0.664 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -63.1 | -26.1 | 176.7 | 77.9 | 0 | 0 | 0 | 0 | 113.5 | K25 I26 L27 | K25-S29 WeakPolarHBondContact O-CB 3.29Å; K25-S29 PolarHBondContact O-N 3.44Å; I26-S29 PolarHBondContact O-N 2.9Å; I26-S29 PolarHBondContact O-OG 3.03Å; L27-S29 VanDerWaalsContact C-N 3.31Å; L27-S29 PolarHBondContact O-N 3.44Å |
| 30 | V | 89.4 | Confident | 88.3 | Confident | 100 Ų | 100 | 66.6 Ų | 66.6 | 61% | 0.606 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -4.1 | 176.9 | -173 | 0 | 0 | 0 | 0 | 111.4 | I26 L27 D28 I32 | I26-V30 PolarHBondContact O-N 3.32Å; L27-V30 CarbonylContact O-C 3.53Å; L27-V30 PolarHBondContact O-N 3.47Å; L27-V30 VanDerWaalsContact O-N 3.12Å; D28-V30 PolarHBondContact O-N 3.47Å; V30-I32 HydrophobicContact CB-CD1 3.93Å; V30-I32 HydrophobicContact CB-CG1 4.35Å; V30-I32 HydrophobicContact CG1-CD1 3.58Å; V30-I32 HydrophobicContact CG1-CG1 4.12Å |
| 31 | G | 88.4 | Confident | 88.1 | Confident | 70 Ų | 70 | 71.3 Ų | 71.3 | 72% | 0.722 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.2 | 31 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L27 D28 | L27-G31 PolarHBondContact O-N 2.99Å; D28-G31 PolarHBondContact O-N 3.16Å |
| 32 | I | 88.3 | Confident | 87.8 | Confident | 36 Ų | 36 | 69.3 Ų | 69.3 | 19% | 0.185 | 38% | 0.378 | C | S | . | . | trans | -102.8 | 131.5 | 176.5 | -63.8 | 158.2 | 0 | 0 | 0 | 109.3 | R2 L27 V30 C34 | R2-I32 HydrophobicContact CG-CD1 4.49Å; L27-I32 CarbonylContact C-O 3.5Å; L27-I32 HydrophobicContact CB-CB 4.3Å; L27-I32 HydrophobicContact CD2-CB 4.14Å; L27-I32 HydrophobicContact CD2-CD1 4.11Å; L27-I32 HydrophobicContact CD2-CG2 4.06Å; L27-I32 PolarHBondContact O-N 2.91Å; V30-I32 HydrophobicContact CB-CD1 3.93Å; V30-I32 HydrophobicContact CB-CG1 4.35Å; V30-I32 HydrophobicContact CG1-CD1 3.58Å; V30-I32 HydrophobicContact CG1-CG1 4.12Å; I32-C34 PolarHBondContact O-N 3.41Å; I32-C34 VanDerWaalsContact O-N 3.17Å | ||
| 33 | D | 86.9 | Confident | 87.6 | Confident | 150 Ų | 150 | 69 Ų | 69 | 80% | 0.802 | 38% | 0.377 | S | S | * | . | trans | -59.7 | 119.1 | 172 | -63.1 | -60.3 | 0 | 0 | 0 | 111.6 | Y3 | Y3-D33 PolarHBondContact OH-O 3.22Š| ||
| 34 | C | 84.6 | Confident | 87.4 | Confident | 19 Ų | 19 | 75.8 Ų | 75.8 | 13% | 0.128 | 41% | 0.409 | C | S | . | . | trans | -88.8 | 113 | 172.3 | -172.5 | 0 | 0 | 0 | 0 | 110.1 | K24 L27 I32 | K24-C34 HydrophobicContact CB-CB 4.15Å; K24-C34 HydrophobicContact CD-CB 4.5Å; K24-C34 HydrophobicContact CG-CB 3.87Å; L27-C34 HydrophobicContact CB-CB 4.14Å; L27-C34 HydrophobicContact CD1-CB 3.82Å; I32-C34 PolarHBondContact O-N 3.41Å; I32-C34 VanDerWaalsContact O-N 3.17Å | ||
| 35 | D | 89.1 | Confident | 86.9 | Confident | 63 Ų | 63 | 75 Ų | 75 | 34% | 0.337 | 42% | 0.417 | S | S | . | . | trans | -84.8 | 113.2 | 168.4 | -175.9 | -18 | 0 | 0 | 0 | 108.8 | Y3 K37 K38 A39 | Y3-D35 WeakPolarHBondContact OH-CB 3.35Å; Y3-D35 PolarHBondContact OH-N 3.08Å; D35-K37 PolarHBondContact O-N 3.37Å; D35-K37 VanDerWaalsContact O-N 3.12Å; D35-K37 WeakPolarHBondContact OD1-CB 3.41Å; D35-K37 PolarHBondContact OD1-N 3.32Å; D35-K38 HydrophobicContact CB-CB 4.16Å; D35-K38 HydrophobicContact CB-CD 4Å; D35-K38 HydrophobicContact CB-CG 4.03Å; D35-K38 PolarHBondContact O-N 3.16Å; D35-A39 PolarHBondContact O-N 3.42Å | ||
| 36 | D | 86.9 | Confident | 86 | Confident | 83 Ų | 83 | 69 Ų | 69 | 44% | 0.444 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -55.6 | -31.3 | -178.3 | -59.7 | -36.9 | 0 | 0 | 0 | 111.8 | V20 K24 A40 | V20-D36 HydrophobicContact CG1-CB 4.41Å; K24-D36 IonicContact NZ-OD1 3.6Å; D36-A40 VanDerWaalsContact O-CB 3.29Å; D36-A40 WeakPolarHBondContact O-CB 3.4Å; D36-A40 PolarHBondContact O-N 2.89Å |
| 37 | K | 88.3 | Confident | 85 | Confident | 160 Ų | 160 | 71.5 Ų | 71.5 | 70% | 0.696 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -68.7 | -42.4 | 176.8 | -62.7 | -178 | -174.3 | 179.5 | 0 | 111.8 | D35 A40 M41 | D35-K37 PolarHBondContact O-N 3.37Å; D35-K37 VanDerWaalsContact O-N 3.12Å; D35-K37 WeakPolarHBondContact OD1-CB 3.41Å; D35-K37 PolarHBondContact OD1-N 3.32Å; K37-A40 PolarHBondContact O-N 3.49Å; K37-M41 VanDerWaalsContact O-CG 3.29Å; K37-M41 WeakPolarHBondContact O-CG 3.49Å; K37-M41 PolarHBondContact O-N 2.9Å |
| 38 | K | 85.7 | Confident | 83.6 | Confident | 108 Ų | 108 | 74.3 Ų | 74.3 | 47% | 0.47 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -71.1 | -38.7 | 179.3 | -66.7 | -179.4 | -172.5 | 168.1 | 0 | 111.1 | Y3 D35 M41 V42 | Y3-K38 HydrophobicContact CD1-CB 4.11Å; Y3-K38 HydrophobicContact CD2-CB 4.11Å; Y3-K38 HydrophobicContact CD2-CD 4.48Å; Y3-K38 HydrophobicContact CE1-CB 3.75Å; Y3-K38 HydrophobicContact CE2-CB 3.81Å; Y3-K38 HydrophobicContact CE2-CD 3.67Å; Y3-K38 HydrophobicContact CE2-CG 4.39Å; Y3-K38 HydrophobicContact CG-CB 4.29Å; D35-K38 HydrophobicContact CB-CB 4.16Å; D35-K38 HydrophobicContact CB-CD 4Å; D35-K38 HydrophobicContact CB-CG 4.03Å; D35-K38 PolarHBondContact O-N 3.16Å; K38-M41 PolarHBondContact O-N 3.25Å; K38-V42 WeakPolarHBondContact O-CG2 3.29Å; K38-V42 PolarHBondContact O-N 3.39Å; K38-V42 VanDerWaalsContact O-N 3.11Å |
| 39 | A | 85.4 | Confident | 82 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -60.6 | -49 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y3 V20 I23 D35 M41 V42 V43 | Y3-A39 HydrophobicContact CD1-CB 4.17Å; Y3-A39 HydrophobicContact CE1-CB 4.34Å; V20-A39 HydrophobicContact CG1-CB 3.97Å; V20-A39 HydrophobicContact CG2-CB 4.42Å; I23-A39 HydrophobicContact CB-CB 4.4Å; I23-A39 HydrophobicContact CD1-CB 4.26Å; I23-A39 HydrophobicContact CG2-CB 4.1Å; D35-A39 PolarHBondContact O-N 3.42Å; A39-M41 PolarHBondContact O-N 2.91Å; A39-V42 PolarHBondContact O-N 3.36Å; A39-V42 VanDerWaalsContact O-N 3.16Å; A39-V43 WeakPolarHBondContact O-CG2 3.44Å; A39-V43 PolarHBondContact O-N 3.05Å |
| 40 | A | 87.6 | Confident | 80.4 | Confident | 34 Ų | 34 | 78.7 Ų | 78.7 | 28% | 0.281 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -59.4 | -44.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V20 D36 K37 V42 V43 E44 | V20-A40 HydrophobicContact CG2-CB 4.13Å; D36-A40 VanDerWaalsContact O-CB 3.29Å; D36-A40 WeakPolarHBondContact O-CB 3.4Å; D36-A40 PolarHBondContact O-N 2.89Å; K37-A40 PolarHBondContact O-N 3.49Å; A40-V42 VanDerWaalsContact C-N 3.28Å; A40-V42 PolarHBondContact O-N 2.93Å; A40-V43 PolarHBondContact O-N 3.47Å; A40-E44 WeakPolarHBondContact O-CB 3.26Å; A40-E44 WeakPolarHBondContact O-CG 3.4Å; A40-E44 PolarHBondContact O-N 3.34Å |
| 41 | M | 83.7 | Confident | 78.8 | Confident | 131 Ų | 131 | 74.5 Ų | 74.5 | 65% | 0.645 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -58 | -39.7 | 175.6 | -76.1 | 177.4 | 176.8 | 0 | 0 | 112.6 | K37 K38 A39 A45 | K37-M41 VanDerWaalsContact O-CG 3.29Å; K37-M41 WeakPolarHBondContact O-CG 3.49Å; K37-M41 PolarHBondContact O-N 2.9Å; K38-M41 PolarHBondContact O-N 3.25Å; A39-M41 PolarHBondContact O-N 2.91Å; M41-A45 VanDerWaalsContact O-CB 3.23Å; M41-A45 WeakPolarHBondContact O-CB 3.37Å; M41-A45 PolarHBondContact O-N 3Å |
| 42 | V | 83.7 | Confident | 77.3 | Confident | 22 Ų | 22 | 76.1 Ų | 76.1 | 13% | 0.133 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -71.7 | -42.6 | 177.4 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | V4 Y7 K38 A39 A40 E44 A45 C46 | V4-V42 HydrophobicContact CG2-CG1 4.25Å; V4-V42 HydrophobicContact CG2-CG2 4.23Å; Y7-V42 HydrophobicContact CG-CG1 4.34Å; K38-V42 WeakPolarHBondContact O-CG2 3.29Å; K38-V42 PolarHBondContact O-N 3.39Å; K38-V42 VanDerWaalsContact O-N 3.11Å; A39-V42 PolarHBondContact O-N 3.36Å; A39-V42 VanDerWaalsContact O-N 3.16Å; A40-V42 VanDerWaalsContact C-N 3.28Å; A40-V42 PolarHBondContact O-N 2.93Å; V42-E44 VanDerWaalsContact C-N 3.34Å; V42-E44 PolarHBondContact O-N 3.3Å; V42-A45 PolarHBondContact O-N 2.94Å; V42-C46 WeakPolarHBondContact O-CB 3.24Å; V42-C46 PolarHBondContact O-N 3.45Å; V42-C46 PolarHBondContact O-SG 2.84Å |
| 43 | V | 84.5 | Confident | 75.9 | Confident | 26 Ų | 26 | 78.6 Ų | 78.6 | 16% | 0.158 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -60.1 | -44.8 | 175.5 | 175.6 | 0 | 0 | 0 | 0 | 110.7 | Y7 V20 I23 A39 A40 C46 S47 | Y7-V43 HydrophobicContact CD2-CG2 4.42Å; Y7-V43 HydrophobicContact CE2-CG2 4.46Å; V20-V43 HydrophobicContact CG2-CG2 4.44Å; I23-V43 HydrophobicContact CD1-CG2 3.54Å; A39-V43 WeakPolarHBondContact O-CG2 3.44Å; A39-V43 PolarHBondContact O-N 3.05Å; A40-V43 PolarHBondContact O-N 3.47Å; V43-C46 CarbonylContact O-C 3.58Å; V43-C46 PolarHBondContact O-N 3.2Å; V43-S47 WeakPolarHBondContact O-CA 3.43Å; V43-S47 WeakPolarHBondContact O-CB 3.38Å; V43-S47 PolarHBondContact O-N 3.27Å; V43-S47 PolarHBondContact O-OG 2.95Å |
| 44 | E | 84.1 | Confident | 74.4 | Confident | 143 Ų | 143 | 73.1 Ų | 73.1 | 67% | 0.668 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -62.2 | -50.6 | 176.1 | -73.9 | -178.2 | 172 | 0 | 0 | 111.6 | A40 V42 C46 S47 | A40-E44 WeakPolarHBondContact O-CB 3.26Å; A40-E44 WeakPolarHBondContact O-CG 3.4Å; A40-E44 PolarHBondContact O-N 3.34Å; V42-E44 VanDerWaalsContact C-N 3.34Å; V42-E44 PolarHBondContact O-N 3.3Å; E44-C46 VanDerWaalsContact C-N 3.29Å; E44-C46 PolarHBondContact O-N 3.12Å; E44-S47 PolarHBondContact O-N 3.19Å; E44-S47 PolarHBondContact O-OG 3.27Å |
| 45 | A | 80 | Confident | 73 | Confident | 63 Ų | 63 | 75.8 Ų | 75.8 | 52% | 0.521 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.8 | -37.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | M41 V42 | M41-A45 VanDerWaalsContact O-CB 3.23Å; M41-A45 WeakPolarHBondContact O-CB 3.37Å; M41-A45 PolarHBondContact O-N 3Å; V42-A45 PolarHBondContact O-N 2.94Å |
| 46 | C | 72.8 | Confident | 71.4 | Confident | 9 Ų | 9 | 80.6 Ų | 80.6 | 6% | 0.061 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -92.7 | -5.9 | -178 | -52 | 0 | 0 | 0 | 0 | 113.7 | Y7 V42 V43 E44 H49 L54 | Y7-C46 HydrophobicContact CD1-CB 3.75Å; Y7-C46 HydrophobicContact CE1-CB 3.19Å; Y7-C46 HydrophobicContact CE2-CB 4.08Å; Y7-C46 HydrophobicContact CG-CB 4.37Å; Y7-C46 PolarHBondContact OH-O 2.98Å; Y7-C46 VanDerWaalsContact OH-O 3.12Å; V42-C46 WeakPolarHBondContact O-CB 3.24Å; V42-C46 PolarHBondContact O-N 3.45Å; V42-C46 PolarHBondContact O-SG 2.84Å; V43-C46 CarbonylContact O-C 3.58Å; V43-C46 PolarHBondContact O-N 3.2Å; E44-C46 VanDerWaalsContact C-N 3.29Å; E44-C46 PolarHBondContact O-N 3.12Å; C46-H49 CarbonylContact C-O 3.54Å; C46-L54 HydrophobicContact CB-CD1 3.87Å; C46-L54 WeakPolarHBondContact SG-CD1 3.43Å |
| 47 | S | 66.9 | Low | 69.8 | Low | 91 Ų | 91 | 84.3 Ų | 84.3 | 64% | 0.636 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -76.5 | -29.2 | 171.6 | 69.1 | 0 | 0 | 0 | 0 | 111.6 | V43 E44 | V43-S47 WeakPolarHBondContact O-CA 3.43Å; V43-S47 WeakPolarHBondContact O-CB 3.38Å; V43-S47 PolarHBondContact O-N 3.27Å; V43-S47 PolarHBondContact O-OG 2.95Å; E44-S47 PolarHBondContact O-N 3.19Å; E44-S47 PolarHBondContact O-OG 3.27Å |
| 48 | G | 61.5 | Low | 68 | Low | 64 Ų | 64 | 78.9 Ų | 78.9 | 66% | 0.66 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -82.2 | -31.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 49 | H | 56.4 | Low | 66.1 | Low | 117 Ų | 117 | 78.1 Ų | 78.1 | 54% | 0.542 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -110.1 | 112.2 | 175.4 | -64.9 | -77.6 | 0 | 0 | 0 | 108.7 | C46 V51 | C46-H49 CarbonylContact C-O 3.54Å; H49-V51 PolarHBondContact O-N 3.31Å |
| 50 | K | 54.8 | Low | 64.1 | Low | 164 Ų | 164 | 82.5 Ų | 82.5 | 71% | 0.713 | 47% | 0.473 | S | S | * | . | trans | -53.4 | 131.7 | 174.8 | -67.2 | 176.7 | -174.9 | 174 | 0 | 107.5 | D52 D53 | K50-D52 PolarHBondContact O-N 3.35Å; K50-D53 PolarHBondContact O-N 2.79Å | ||
| 51 | V | 56.5 | Low | 62.1 | Low | 11 Ų | 11 | 90.1 Ų | 90.1 | 7% | 0.067 | 50% | 0.5 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | -19.1 | -172.5 | -158.9 | 0 | 0 | 0 | 0 | 113.3 | Y7 V8 V11 H49 D53 L54 I55 | Y7-V51 HydrophobicContact CD1-CG1 3.95Å; Y7-V51 HydrophobicContact CD1-CG2 4.38Å; Y7-V51 HydrophobicContact CE1-CB 4.14Å; Y7-V51 HydrophobicContact CE1-CG1 3.78Å; Y7-V51 HydrophobicContact CE1-CG2 3.4Å; Y7-V51 VanDerWaalsContact CE1-CG2 3.4Å; V8-V51 HydrophobicContact CG2-CG1 4.02Å; V11-V51 HydrophobicContact CB-CB 4.46Å; V11-V51 HydrophobicContact CB-CG1 4.09Å; V11-V51 HydrophobicContact CB-CG2 4.43Å; V11-V51 HydrophobicContact CG1-CB 4.1Å; V11-V51 HydrophobicContact CG1-CG1 4.21Å; V11-V51 HydrophobicContact CG1-CG2 4.17Å; V11-V51 HydrophobicContact CG2-CB 4.05Å; V11-V51 HydrophobicContact CG2-CG1 3.75Å; V11-V51 HydrophobicContact CG2-CG2 3.6Å; H49-V51 PolarHBondContact O-N 3.31Å; V51-D53 PolarHBondContact O-N 3.25Å; V51-L54 HydrophobicContact CG1-CB 4.42Å; V51-L54 HydrophobicContact CG1-CD1 4.21Å; V51-L54 WeakPolarHBondContact O-CA 3.31Å; V51-L54 WeakPolarHBondContact O-CB 3.42Å; V51-L54 PolarHBondContact O-N 3.03Å; V51-I55 PolarHBondContact O-N 2.63Å |
| 52 | D | 55.9 | Low | 60.1 | Low | 104 Ų | 104 | 93.1 Ų | 93.1 | 56% | 0.556 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -47.1 | -42.3 | 168.6 | -59.4 | -49.9 | 0 | 0 | 0 | 112.9 | K50 L54 I55 H56 | K50-D52 PolarHBondContact O-N 3.35Å; D52-L54 PolarHBondContact O-N 3.23Å; D52-I55 PolarHBondContact O-N 2.95Å; D52-H56 PolarHBondContact O-CD2 3.28Å; D52-H56 PolarHBondContact O-N 3.17Å |
| 53 | D | 58.7 | Low | 58.2 | Low | 89 Ų | 89 | 100 Ų | 100 | 48% | 0.476 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.9 | -37.1 | 177.9 | -67.6 | -24 | 0 | 0 | 0 | 111.4 | K50 V51 I55 H56 E57 | K50-D53 PolarHBondContact O-N 2.79Å; V51-D53 PolarHBondContact O-N 3.25Å; D53-I55 VanDerWaalsContact C-N 3.34Å; D53-I55 PolarHBondContact O-N 2.88Å; D53-H56 PolarHBondContact O-N 3.49Å; D53-E57 PolarHBondContact O-N 3.05Å; D53-E57 VanDerWaalsContact O-N 3.14Å |
| 54 | L | 55.4 | Low | 56.2 | Low | 34 Ų | 34 | 108 Ų | 108 | 18% | 0.178 | 58% | 0.576 | C | S | . | * | H | α-helix | trans | -70.9 | -29.3 | 179.8 | -65.9 | 167.7 | 0 | 0 | 0 | 112.6 | V4 Y7 V8 C46 V51 D52 A58 | V4-L54 HydrophobicContact CG1-CD1 4.48Å; V4-L54 HydrophobicContact CG1-CD2 4.14Å; Y7-L54 HydrophobicContact CD1-CD1 4.22Å; Y7-L54 HydrophobicContact CE1-CD1 4.31Å; V8-L54 HydrophobicContact CG2-CB 4.06Å; C46-L54 HydrophobicContact CB-CD1 3.87Å; C46-L54 WeakPolarHBondContact SG-CD1 3.43Å; V51-L54 HydrophobicContact CG1-CB 4.42Å; V51-L54 HydrophobicContact CG1-CD1 4.21Å; V51-L54 WeakPolarHBondContact O-CA 3.31Å; V51-L54 WeakPolarHBondContact O-CB 3.42Å; V51-L54 PolarHBondContact O-N 3.03Å; D52-L54 PolarHBondContact O-N 3.23Å; L54-A58 WeakPolarHBondContact O-CB 3.45Å; L54-A58 PolarHBondContact O-N 3.12Å |
| 55 | I | 55.7 | Low | 54.1 | Low | 75 Ų | 75 | 106.6 Ų | 106.6 | 39% | 0.385 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -72.9 | -33.9 | 175.3 | -64 | 165.9 | 0 | 0 | 0 | 110.3 | V8 V51 D52 D53 E57 | V8-I55 HydrophobicContact CG1-CD1 4.48Å; V8-I55 HydrophobicContact CG1-CG1 3.79Å; V51-I55 PolarHBondContact O-N 2.63Å; D52-I55 PolarHBondContact O-N 2.95Å; D53-I55 VanDerWaalsContact C-N 3.34Å; D53-I55 PolarHBondContact O-N 2.88Å; I55-E57 VanDerWaalsContact C-N 3.35Å |
| 56 | H | 55.6 | Low | 52.4 | Low | 164 Ų | 164 | 113.1 Ų | 113.1 | 76% | 0.759 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -69.4 | -31.4 | 173.7 | -82.4 | -64.4 | 0 | 0 | 0 | 113 | D52 D53 | D52-H56 PolarHBondContact O-CD2 3.28Å; D52-H56 PolarHBondContact O-N 3.17Å; D53-H56 PolarHBondContact O-N 3.49Å |
| 57 | E | 52.6 | Low | 50.9 | Low | 161 Ų | 161 | 121 Ų | 121 | 75% | 0.752 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -90.4 | -23.8 | 176.8 | -67.5 | -171.3 | 166.1 | 0 | 0 | 114.1 | D53 I55 | D53-E57 PolarHBondContact O-N 3.05Å; D53-E57 VanDerWaalsContact O-N 3.14Å; I55-E57 VanDerWaalsContact C-N 3.35Å |
| 58 | A | 50.5 | Low | 50.1 | Low | 47 Ų | 47 | 125.6 Ų | 125.6 | 39% | 0.388 | 65% | 0.649 | S | S | . | * | S | Bend | trans | -69.5 | 119.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | L54 A60 | L54-A58 WeakPolarHBondContact O-CB 3.45Å; L54-A58 PolarHBondContact O-N 3.12Å; A58-A60 PolarHBondContact O-N 3.43Å |
| 59 | P | 46 | Very low | 49.6 | Very low | 92 Ų | 92 | 128.4 Ų | 128.4 | 60% | 0.597 | 65% | 0.649 | S | S | * | * | trans | -72.7 | 110.8 | -134.3 | 29.8 | -37 | 0 | 0 | 0 | 113.8 | K61 | P59-K61 HydrophobicContact CB-CB 4.21Å; P59-K61 PolarHBondContact O-N 3.02Å | ||
| 60 | A | 43.7 | Very low | 49.5 | Very low | 92 Ų | 92 | 131.5 Ų | 131.5 | 76% | 0.76 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -62.9 | -3.8 | 140.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A58 K62 | A58-A60 PolarHBondContact O-N 3.43Å; A60-K62 VanDerWaalsContact C-N 3.3Å; A60-K62 PolarHBondContact O-N 3.25Å |
| 61 | K | 46.5 | Very low | 49.6 | Very low | 193 Ų | 193 | 131 Ų | 131 | 84% | 0.839 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | 29.5 | 179.7 | -146.6 | 173.2 | -174.1 | 176.8 | 0 | 114.5 | P59 | P59-K61 HydrophobicContact CB-CB 4.21Å; P59-K61 PolarHBondContact O-N 3.02Å |
| 62 | K | 40.3 | Very low | 49.8 | Very low | 194 Ų | 194 | 137.2 Ų | 137.2 | 84% | 0.843 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.8 | 4.3 | 166.3 | -113.7 | -169.8 | -177.4 | -171.7 | 0 | 113.8 | A60 | A60-K62 VanDerWaalsContact C-N 3.3Å; A60-K62 PolarHBondContact O-N 3.25Å |
| 63 | E | 43.4 | Very low | 50.2 | Low | 167 Ų | 167 | 134.9 Ų | 134.9 | 78% | 0.78 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -103 | 132.6 | 155.9 | -69.4 | -174.4 | 164.4 | 0 | 0 | 106.6 | ||
| 64 | E | 44.4 | Very low | 50.2 | Low | 194 Ų | 194 | 138.3 Ų | 138.3 | 91% | 0.907 | 71% | 0.71 | S | S | * | * | S | Bend | trans | 73.8 | 79.2 | 177.4 | -58.8 | 179 | 168.6 | 0 | 0 | 117.2 | ||
| 65 | S | 39.8 | Very low | 50.3 | Low | 113 Ų | 113 | 142 Ų | 142 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | 171.3 | 58.7 | 119.4 | 70.6 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 66 | E | 43.5 | Very low | 50.7 | Low | 200 Ų | 200 | 145.6 Ų | 145.6 | 94% | 0.935 | 76% | 0.758 | S | S | * | * | trans | -136.1 | 66.4 | 158.7 | -80.8 | -173.7 | 171 | 0 | 0 | 107.5 | ||||
| 67 | E | 41.1 | Very low | 51 | Low | 176 Ų | 176 | 145.4 Ų | 145.4 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | trans | -137.9 | 68.1 | 152.5 | -155.4 | 166.7 | -146.3 | 0 | 0 | 105.8 | D69 | E67-D69 VanDerWaalsContact C-N 3.27Š| ||
| 68 | E | 50.4 | Low | 50.8 | Low | 187 Ų | 187 | 150.4 Ų | 150.4 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | -89.5 | 10.3 | 165 | -83.1 | -169.8 | 161 | 0 | 0 | 111.7 | ||||
| 69 | D | 50.6 | Low | 50.8 | Low | 123 Ų | 123 | 155.6 Ų | 155.6 | 66% | 0.658 | 80% | 0.798 | S | S | * | * | trans | -108.7 | 69 | -176 | -73.9 | -32.3 | 0 | 0 | 0 | 111.7 | E67 | E67-D69 VanDerWaalsContact C-N 3.27Š| ||
| 70 | E | 54.7 | Low | 51.1 | Low | 182 Ų | 182 | 158.9 Ų | 158.9 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -158.7 | 17.4 | 155.7 | -117.3 | 173.2 | -144.4 | 0 | 0 | 118.5 | ||
| 71 | D | 57.1 | Low | 51.5 | Low | 154 Ų | 154 | 162.7 Ų | 162.7 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | trans | -143.1 | 61.2 | 161.7 | -139.4 | -5.5 | 0 | 0 | 0 | 112.2 | G73 | D71-G73 PolarHBondContact O-N 2.69Š| ||
| 72 | M | 60.6 | Low | 51.8 | Low | 141 Ų | 141 | 160.9 Ų | 160.9 | 70% | 0.695 | 81% | 0.81 | S | S | * | * | trans | -63.8 | 70.9 | 157.2 | -72 | -80.8 | -172.3 | 0 | 0 | 108.3 | F74 | M72-F74 HydrophobicContact CB-CD2 4.37Å; M72-F74 WeakPolarHBondContact O-CD2 3.42Å; M72-F74 PolarHBondContact O-N 2.79Å | ||
| 73 | G | 64.7 | Low | 52.5 | Low | 55 Ų | 55 | 158.8 Ų | 158.8 | 57% | 0.567 | 81% | 0.807 | S | S | * | * | trans | -57.8 | 85.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | D71 S75 | D71-G73 PolarHBondContact O-N 2.69Å; G73-S75 PolarHBondContact O-N 2.77Å | ||
| 74 | F | 58.3 | Low | 53.1 | Low | 161 Ų | 161 | 158.3 Ų | 158.3 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | trans | -61.1 | 78.5 | 170.6 | -101.7 | -115.4 | 0 | 0 | 0 | 108.4 | M72 F77 | M72-F74 HydrophobicContact CB-CD2 4.37Å; M72-F74 WeakPolarHBondContact O-CD2 3.42Å; M72-F74 PolarHBondContact O-N 2.79Å; F74-F77 AromaticContact CD1-CD2 3.67Å; F74-F77 HydrophobicContact CD1-CD2 3.67Å; F74-F77 AromaticContact CD1-CE2 3.69Å; F74-F77 HydrophobicContact CD1-CE2 3.69Å; F74-F77 AromaticContact CE1-CD2 3.92Å; F74-F77 HydrophobicContact CE1-CD2 3.92Å; F74-F77 AromaticContact CE1-CE2 3.45Å; F74-F77 HydrophobicContact CE1-CE2 3.45Å; F74-F77 VanDerWaalsContact CE1-CE2 3.45Å | ||
| 75 | S | 56.8 | Low | 53.7 | Low | 111 Ų | 111 | 155.7 Ų | 155.7 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -104.2 | 58.3 | 158.1 | 67.3 | 0 | 0 | 0 | 0 | 108.7 | G73 | G73-S75 PolarHBondContact O-N 2.77Š| ||
| 76 | L | 63.8 | Low | 54.8 | Low | 151 Ų | 151 | 159 Ų | 159 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | trans | -142 | 24.1 | 172.6 | -156.8 | 68.4 | 0 | 0 | 0 | 113.9 | ||||
| 77 | F | 63.4 | Low | 55.7 | Low | 160 Ų | 160 | 155.6 Ų | 155.6 | 70% | 0.702 | 79% | 0.792 | S | S | * | * | trans | -136.1 | 102.1 | 160.4 | -63.5 | -89.2 | 0 | 0 | 0 | 103 | F74 | F74-F77 AromaticContact CD1-CD2 3.67Å; F74-F77 HydrophobicContact CD1-CD2 3.67Å; F74-F77 AromaticContact CD1-CE2 3.69Å; F74-F77 HydrophobicContact CD1-CE2 3.69Å; F74-F77 AromaticContact CE1-CD2 3.92Å; F74-F77 HydrophobicContact CE1-CD2 3.92Å; F74-F77 AromaticContact CE1-CE2 3.45Å; F74-F77 HydrophobicContact CE1-CE2 3.45Å; F74-F77 VanDerWaalsContact CE1-CE2 3.45Å | ||
| 78 | E | 47.2 | Very low | 57 | Low | 266 Ų | 266 | 153.7 Ų | 153.7 | 100% | 1.243 | 79% | 0.79 | S | S | * | * | 40.1 | 0 | 66.9 | -129.9 | -177.8 | 162.3 | 0 | 0 | 112.8 |
Retrieved 78 of 78 residues in 254.7 ms
(Link to these results)