| 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 | 46 | Very low | 82.3 | Confident | 226 Ų | 226 | 78.1 Ų | 78.1 | 100% | 1.113 | 48% | 0.484 | S | S | * | . | 0 | 120.7 | 0 | 59.2 | -169.8 | -172.7 | 0 | 0 | 108.2 | |||||
| 2 | V | 71.4 | Confident | 83.1 | Confident | 147 Ų | 147 | 72.7 Ų | 72.7 | 89% | 0.891 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -87.2 | 119.5 | 169.3 | 162.8 | 0 | 0 | 0 | 0 | 106.6 | ||
| 3 | V | 77.2 | Confident | 83.9 | Confident | 62 Ų | 62 | 70.3 Ų | 70.3 | 38% | 0.376 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 132.9 | 174.4 | -176.8 | 0 | 0 | 0 | 0 | 107.2 | T7 S8 L11 | V3-T7 WeakPolarHBondContact CG1-OG1 3.09Å; V3-S8 WeakPolarHBondContact CG1-OG 3.46Å; V3-S8 PolarHBondContact O-OG 3.17Å; V3-L11 HydrophobicContact CG1-CD1 4.36Å |
| 4 | G | 84.2 | Confident | 84.7 | Confident | 41 Ų | 41 | 72.1 Ų | 72.1 | 42% | 0.423 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 157.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G6 T7 S8 | G4-G6 VanDerWaalsContact C-N 3.3Å; G4-G6 PolarHBondContact O-N 2.77Å; G4-T7 PolarHBondContact N-OG1 2.87Å; G4-T7 PolarHBondContact O-N 3.13Å; G4-T7 PolarHBondContact O-OG1 2.9Å; G4-S8 WeakPolarHBondContact O-CB 3.17Å; G4-S8 PolarHBondContact O-N 2.75Å; G4-S8 PolarHBondContact O-OG 3.08Å |
| 5 | T | 84.4 | Confident | 85.3 | Confident | 46 Ų | 46 | 72 Ų | 72 | 28% | 0.282 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -58 | -42.2 | -179.3 | -51.7 | 0 | 0 | 0 | 0 | 112 | S8 L9 N57 N60 | T5-S8 PolarHBondContact O-N 3.14Å; T5-L9 WeakPolarHBondContact O-CB 3.31Å; T5-L9 PolarHBondContact O-N 2.91Å; T5-N57 HydrophobicContact CG2-CB 4.04Å; T5-N57 WeakPolarHBondContact CG2-O 3.26Å; T5-N60 HydrophobicContact CG2-CB 4.29Å; T5-N60 WeakPolarHBondContact CG2-ND2 3.45Å |
| 6 | G | 86.9 | Confident | 85.9 | Confident | 41 Ų | 41 | 68.5 Ų | 68.5 | 42% | 0.423 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.7 | -41.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | G4 L9 A10 | G4-G6 VanDerWaalsContact C-N 3.3Å; G4-G6 PolarHBondContact O-N 2.77Å; G6-L9 PolarHBondContact O-N 3.5Å; G6-A10 PolarHBondContact O-N 2.92Å; G6-A10 VanDerWaalsContact O-N 3.09Å |
| 7 | T | 89.8 | Confident | 86.4 | Confident | 78 Ų | 78 | 71.6 Ų | 71.6 | 48% | 0.479 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -71.1 | -37 | 175.8 | 40.8 | 0 | 0 | 0 | 0 | 111.8 | V3 G4 L9 A10 L11 | V3-T7 WeakPolarHBondContact CG1-OG1 3.09Å; G4-T7 PolarHBondContact N-OG1 2.87Å; G4-T7 PolarHBondContact O-N 3.13Å; G4-T7 PolarHBondContact O-OG1 2.9Å; T7-L9 VanDerWaalsContact C-N 3.33Å; T7-L9 PolarHBondContact O-N 2.66Å; T7-A10 PolarHBondContact O-N 2.76Å; T7-L11 WeakPolarHBondContact O-CB 3.21Å; T7-L11 VanDerWaalsContact O-CG 3.3Å; T7-L11 WeakPolarHBondContact O-CG 3.11Å; T7-L11 PolarHBondContact O-N 3.39Å |
| 8 | S | 89.4 | Confident | 86.9 | Confident | 28 Ų | 28 | 73.6 Ų | 73.6 | 20% | 0.196 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -63 | -39.2 | 173.9 | -57.9 | 0 | 0 | 0 | 0 | 111.9 | V3 G4 T5 S12 N57 | V3-S8 WeakPolarHBondContact CG1-OG 3.46Å; V3-S8 PolarHBondContact O-OG 3.17Å; G4-S8 WeakPolarHBondContact O-CB 3.17Å; G4-S8 PolarHBondContact O-N 2.75Å; G4-S8 PolarHBondContact O-OG 3.08Å; T5-S8 PolarHBondContact O-N 3.14Å; S8-S12 VanDerWaalsContact O-CB 3.26Å; S8-S12 WeakPolarHBondContact O-CB 3.33Å; S8-S12 PolarHBondContact O-N 3.28Å; S8-S12 PolarHBondContact O-OG 2.73Å; S8-N57 WeakPolarHBondContact CB-ND2 3.05Å |
| 9 | L | 90.3 | Very high | 87.3 | Confident | 39 Ų | 39 | 72.2 Ų | 72.2 | 20% | 0.204 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -61 | -51.8 | 173.3 | 179.4 | 145.7 | 0 | 0 | 0 | 111.1 | T5 G6 T7 L11 S12 S13 N57 L58 | T5-L9 WeakPolarHBondContact O-CB 3.31Å; T5-L9 PolarHBondContact O-N 2.91Å; G6-L9 PolarHBondContact O-N 3.5Å; T7-L9 VanDerWaalsContact C-N 3.33Å; T7-L9 PolarHBondContact O-N 2.66Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L9-L11 PolarHBondContact O-N 3.38Å; L9-S12 PolarHBondContact O-N 3.36Å; L9-S13 WeakPolarHBondContact O-CB 3.42Å; L9-S13 PolarHBondContact O-N 2.91Å; L9-S13 PolarHBondContact O-OG 2.93Å; L9-N57 HydrophobicContact CB-CB 3.95Å; L9-N57 HydrophobicContact CD1-CB 4.39Å; L9-L58 VanDerWaalsContact CD1-CA 3.47Å; L9-L58 HydrophobicContact CD1-CB 3.66Å; L9-L58 HydrophobicContact CD1-CD1 3.83Å; L9-L58 HydrophobicContact CD1-CG 4.38Å |
| 10 | A | 92.5 | Very high | 87.7 | Confident | 50 Ų | 50 | 72.4 Ų | 72.4 | 41% | 0.413 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.6 | -41.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G6 T7 S13 L14 | G6-A10 PolarHBondContact O-N 2.92Å; G6-A10 VanDerWaalsContact O-N 3.09Å; T7-A10 PolarHBondContact O-N 2.76Å; A10-S13 PolarHBondContact O-OG 3.19Å; A10-S13 VanDerWaalsContact O-OG 3.06Å; A10-L14 WeakPolarHBondContact O-CB 3.38Å; A10-L14 PolarHBondContact O-N 2.84Å |
| 11 | L | 93 | Very high | 88.1 | Confident | 101 Ų | 101 | 71.6 Ų | 71.6 | 53% | 0.529 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.3 | -44.3 | 177.1 | -70.9 | 174.4 | 0 | 0 | 0 | 111.8 | V3 T7 L9 L14 L15 | V3-L11 HydrophobicContact CG1-CD1 4.36Å; T7-L11 WeakPolarHBondContact O-CB 3.21Å; T7-L11 VanDerWaalsContact O-CG 3.3Å; T7-L11 WeakPolarHBondContact O-CG 3.11Å; T7-L11 PolarHBondContact O-N 3.39Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L9-L11 PolarHBondContact O-N 3.38Å; L11-L14 PolarHBondContact O-N 3.31Å; L11-L15 WeakPolarHBondContact O-CB 3.37Å; L11-L15 PolarHBondContact O-N 3.49Å |
| 12 | S | 92.8 | Very high | 90.4 | Very high | 13 Ų | 13 | 62 Ų | 62 | 9% | 0.091 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -67.4 | -40.5 | -179 | -55.5 | 0 | 0 | 0 | 0 | 111.8 | S8 L9 S16 T53 | S8-S12 VanDerWaalsContact O-CB 3.26Å; S8-S12 WeakPolarHBondContact O-CB 3.33Å; S8-S12 PolarHBondContact O-N 3.28Å; S8-S12 PolarHBondContact O-OG 2.73Å; L9-S12 PolarHBondContact O-N 3.36Å; S12-S16 WeakPolarHBondContact O-CB 3.36Å; S12-S16 PolarHBondContact O-N 3.19Å; S12-T53 VanDerWaalsContact OG-CG2 3.31Å; S12-T53 WeakPolarHBondContact OG-CG2 3.27Å |
| 13 | S | 93.3 | Very high | 91.4 | Very high | 42 Ų | 42 | 55.1 Ų | 55.1 | 29% | 0.294 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.1 | -42.8 | 176.5 | 63.6 | 0 | 0 | 0 | 0 | 111.7 | L9 A10 S16 L17 | L9-S13 WeakPolarHBondContact O-CB 3.42Å; L9-S13 PolarHBondContact O-N 2.91Å; L9-S13 PolarHBondContact O-OG 2.93Å; A10-S13 PolarHBondContact O-OG 3.19Å; A10-S13 VanDerWaalsContact O-OG 3.06Å; S13-S16 PolarHBondContact O-N 2.83Å; S13-L17 WeakPolarHBondContact O-CG 3.27Å; S13-L17 PolarHBondContact O-N 3.36Å |
| 14 | L | 94.9 | Very high | 92.2 | Very high | 95 Ų | 95 | 54.6 Ų | 54.6 | 50% | 0.497 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 176.5 | -171.7 | 124 | 0 | 0 | 0 | 111.8 | A10 L11 S16 L17 L18 | A10-L14 WeakPolarHBondContact O-CB 3.38Å; A10-L14 PolarHBondContact O-N 2.84Å; L11-L14 PolarHBondContact O-N 3.31Å; L14-S16 VanDerWaalsContact C-N 3.35Å; L14-S16 PolarHBondContact O-N 3.41Å; L14-L17 PolarHBondContact O-N 2.95Å; L14-L18 HydrophobicContact CD2-CD1 3.63Å; L14-L18 HydrophobicContact CD2-CG 4.46Å; L14-L18 HydrophobicContact CG-CD1 4.22Å; L14-L18 WeakPolarHBondContact O-CB 3.22Å; L14-L18 VanDerWaalsContact O-CG 3.32Å; L14-L18 WeakPolarHBondContact O-CG 3.29Å; L14-L18 PolarHBondContact O-N 3.35Å |
| 15 | L | 94.1 | Very high | 92.7 | Very high | 71 Ų | 71 | 58.6 Ų | 58.6 | 37% | 0.372 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 174.5 | -114 | 64.9 | 0 | 0 | 0 | 112 | L11 L18 L19 F50 | L11-L15 WeakPolarHBondContact O-CB 3.37Å; L11-L15 PolarHBondContact O-N 3.49Å; L15-L18 PolarHBondContact O-N 3.41Å; L15-L19 VanDerWaalsContact O-CB 3.31Å; L15-L19 WeakPolarHBondContact O-CB 3.35Å; L15-L19 WeakPolarHBondContact O-CG 3.5Å; L15-L19 PolarHBondContact O-N 2.85Å; L15-F50 HydrophobicContact CB-CD1 4.48Å; L15-F50 HydrophobicContact CB-CG 4.33Å; L15-F50 HydrophobicContact CD2-CD1 4.07Å; L15-F50 HydrophobicContact CD2-CE1 3.66Å; L15-F50 HydrophobicContact CD2-CE2 4.15Å; L15-F50 HydrophobicContact CD2-CZ 3.7Å |
| 16 | S | 94.6 | Very high | 93.1 | Very high | 16 Ų | 16 | 62.4 Ų | 62.4 | 11% | 0.112 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 176.6 | -170.8 | 0 | 0 | 0 | 0 | 111.5 | S12 S13 L14 F20 L47 S51 | S12-S16 WeakPolarHBondContact O-CB 3.36Å; S12-S16 PolarHBondContact O-N 3.19Å; S13-S16 PolarHBondContact O-N 2.83Å; L14-S16 VanDerWaalsContact C-N 3.35Å; L14-S16 PolarHBondContact O-N 3.41Å; S16-F20 WeakPolarHBondContact O-CB 3.43Å; S16-F20 PolarHBondContact O-N 2.79Å; S16-L47 WeakPolarHBondContact O-CD2 3.13Å; S16-S51 PolarHBondContact OG-OG 3.03Å; S16-S51 VanDerWaalsContact OG-OG 3.09Å |
| 17 | L | 94.7 | Very high | 93.4 | Very high | 122 Ų | 122 | 62 Ų | 62 | 64% | 0.639 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -65.3 | -44.4 | 176.8 | -70.8 | 173 | 0 | 0 | 0 | 112.3 | S13 L14 F20 A21 | S13-L17 WeakPolarHBondContact O-CG 3.27Å; S13-L17 PolarHBondContact O-N 3.36Å; L14-L17 PolarHBondContact O-N 2.95Å; L17-F20 PolarHBondContact O-N 3.04Å; L17-A21 WeakPolarHBondContact O-CB 3.49Å; L17-A21 PolarHBondContact O-N 3.42Å |
| 18 | L | 95.7 | Very high | 93.4 | Very high | 107 Ų | 107 | 68.4 Ų | 68.4 | 56% | 0.56 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64.7 | -41.8 | 179 | -74.7 | 175.7 | 0 | 0 | 0 | 112.2 | L14 L15 A21 G22 | L14-L18 HydrophobicContact CD2-CD1 3.63Å; L14-L18 HydrophobicContact CD2-CG 4.46Å; L14-L18 HydrophobicContact CG-CD1 4.22Å; L14-L18 WeakPolarHBondContact O-CB 3.22Å; L14-L18 VanDerWaalsContact O-CG 3.32Å; L14-L18 WeakPolarHBondContact O-CG 3.29Å; L14-L18 PolarHBondContact O-N 3.35Å; L15-L18 PolarHBondContact O-N 3.41Å; L18-A21 PolarHBondContact O-N 2.92Å; L18-G22 PolarHBondContact O-N 3.5Å |
| 19 | L | 94.2 | Very high | 93.5 | Very high | 46 Ų | 46 | 71.6 Ų | 71.6 | 24% | 0.241 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66.6 | -39.7 | 176.2 | -82.2 | 172.8 | 0 | 0 | 0 | 111.8 | L15 G22 M23 L43 L47 F50 | L15-L19 VanDerWaalsContact O-CB 3.31Å; L15-L19 WeakPolarHBondContact O-CB 3.35Å; L15-L19 WeakPolarHBondContact O-CG 3.5Å; L15-L19 PolarHBondContact O-N 2.85Å; L19-G22 PolarHBondContact O-N 2.94Å; L19-M23 WeakPolarHBondContact O-CB 3.21Å; L19-M23 WeakPolarHBondContact O-CG 3.36Å; L19-M23 PolarHBondContact O-N 3.26Å; L19-L43 HydrophobicContact CD2-CD2 4.24Å; L19-L47 HydrophobicContact CB-CD2 3.31Å; L19-L47 HydrophobicContact CB-CG 4.14Å; L19-L47 HydrophobicContact CD1-CD2 4.27Å; L19-L47 HydrophobicContact CG-CD2 4.45Å; L19-F50 HydrophobicContact CD1-CD2 3.34Å; L19-F50 HydrophobicContact CD1-CE2 3.42Å; L19-F50 VanDerWaalsContact CD1-CE2 3.42Å |
| 20 | F | 95.4 | Very high | 93.3 | Very high | 77 Ų | 77 | 70.2 Ų | 70.2 | 34% | 0.338 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.7 | -53 | 175.1 | 177.5 | -101 | 0 | 0 | 0 | 109.8 | S16 L17 G22 M23 Q24 L47 A85 | S16-F20 WeakPolarHBondContact O-CB 3.43Å; S16-F20 PolarHBondContact O-N 2.79Å; L17-F20 PolarHBondContact O-N 3.04Å; F20-G22 VanDerWaalsContact C-N 3.31Å; F20-G22 PolarHBondContact O-N 3.27Å; F20-M23 PolarHBondContact O-N 2.86Å; F20-Q24 HydrophobicContact CD1-CG 4.45Å; F20-Q24 HydrophobicContact CE1-CG 4.13Å; F20-Q24 HydrophobicContact CE2-CG 4.19Å; F20-Q24 HydrophobicContact CZ-CG 3.99Å; F20-Q24 VanDerWaalsContact O-CG 3.28Å; F20-Q24 WeakPolarHBondContact O-CG 3.26Å; F20-Q24 PolarHBondContact O-N 2.89Å; F20-Q24 VanDerWaalsContact O-N 3.07Å; F20-L47 HydrophobicContact CB-CD1 3.86Å; F20-L47 HydrophobicContact CB-CD2 4.3Å; F20-L47 HydrophobicContact CD2-CD1 3.99Å; F20-L47 HydrophobicContact CG-CD1 4.44Å; F20-A85 HydrophobicContact CD2-CB 3.59Å; F20-A85 HydrophobicContact CE2-CB 3.63Å |
| 21 | A | 95.8 | Very high | 93.3 | Very high | 56 Ų | 56 | 69.7 Ų | 69.7 | 46% | 0.463 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -57.4 | -43.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L17 L18 Q24 M25 | L17-A21 WeakPolarHBondContact O-CB 3.49Å; L17-A21 PolarHBondContact O-N 3.42Å; L18-A21 PolarHBondContact O-N 2.92Å; A21-Q24 PolarHBondContact O-N 3.46Å; A21-M25 WeakPolarHBondContact O-CB 3.33Å; A21-M25 PolarHBondContact O-N 3.46Å |
| 22 | G | 94.1 | Very high | 93.2 | Very high | 25 Ų | 25 | 68.7 Ų | 68.7 | 26% | 0.258 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L18 L19 F20 Q24 M25 Y26 | L18-G22 PolarHBondContact O-N 3.5Å; L19-G22 PolarHBondContact O-N 2.94Å; F20-G22 VanDerWaalsContact C-N 3.31Å; F20-G22 PolarHBondContact O-N 3.27Å; G22-Q24 VanDerWaalsContact C-N 3.29Å; G22-Q24 PolarHBondContact O-N 3.22Å; G22-M25 PolarHBondContact O-N 3.41Å; G22-Y26 VanDerWaalsContact O-CD2 3.29Å; G22-Y26 WeakPolarHBondContact O-CD2 3.46Å; G22-Y26 PolarHBondContact O-N 3.48Å; G22-Y26 VanDerWaalsContact O-N 3.08Å |
| 23 | M | 93.1 | Very high | 93.2 | Very high | 2 Ų | 2 | 71.3 Ų | 71.3 | 1% | 0.01 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.5 | -40 | 175.3 | -78.8 | -163.4 | -51 | 0 | 0 | 112.5 | L19 F20 Y26 S27 L43 G44 L47 A85 I89 | L19-M23 WeakPolarHBondContact O-CB 3.21Å; L19-M23 WeakPolarHBondContact O-CG 3.36Å; L19-M23 PolarHBondContact O-N 3.26Å; F20-M23 PolarHBondContact O-N 2.86Å; M23-Y26 CarbonylContact O-C 3.59Å; M23-S27 WeakPolarHBondContact O-CA 3.29Å; M23-S27 PolarHBondContact O-N 3.41Å; M23-L43 HydrophobicContact CG-CB 3.87Å; M23-L43 HydrophobicContact CG-CD1 4.18Å; M23-L43 HydrophobicContact SD-CB 3.58Å; M23-L43 VanDerWaalsContact SD-CB 3.58Å; M23-G44 PolarHBondContact SD-N 3.46Å; M23-L47 HydrophobicContact CE-CD1 3.16Å; M23-L47 HydrophobicContact CE-CG 3.64Å; M23-A85 HydrophobicContact CE-CB 4Å; M23-I89 HydrophobicContact CB-CD1 3.82Å; M23-I89 HydrophobicContact CG-CD1 4.18Å; M23-I89 HydrophobicContact SD-CD1 4.01Å |
| 24 | Q | 93.9 | Very high | 93.1 | Very high | 50 Ų | 50 | 77.2 Ų | 77.2 | 23% | 0.234 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -74.2 | -40.1 | -179.3 | -58.5 | -58.9 | 53.2 | 0 | 0 | 112.9 | F20 A21 G22 Y26 S27 L88 | F20-Q24 HydrophobicContact CD1-CG 4.45Å; F20-Q24 HydrophobicContact CE1-CG 4.13Å; F20-Q24 HydrophobicContact CE2-CG 4.19Å; F20-Q24 HydrophobicContact CZ-CG 3.99Å; F20-Q24 VanDerWaalsContact O-CG 3.28Å; F20-Q24 WeakPolarHBondContact O-CG 3.26Å; F20-Q24 PolarHBondContact O-N 2.89Å; F20-Q24 VanDerWaalsContact O-N 3.07Å; A21-Q24 PolarHBondContact O-N 3.46Å; G22-Q24 VanDerWaalsContact C-N 3.29Å; G22-Q24 PolarHBondContact O-N 3.22Å; Q24-Y26 VanDerWaalsContact C-N 3.29Å; Q24-Y26 PolarHBondContact O-N 3.17Å; Q24-S27 VanDerWaalsContact O-CB 3.27Å; Q24-S27 WeakPolarHBondContact O-CB 3.19Å; Q24-S27 PolarHBondContact O-N 3.23Å; Q24-S27 PolarHBondContact O-OG 2.96Å; Q24-L88 VanDerWaalsContact NE2-CB 3.29Å |
| 25 | M | 95.1 | Very high | 93.1 | Very high | 125 Ų | 125 | 82.6 Ų | 82.6 | 62% | 0.616 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -62.7 | -38.6 | 177 | -172.8 | 173.6 | 68.7 | 0 | 0 | 111.7 | A21 G22 | A21-M25 WeakPolarHBondContact O-CB 3.33Å; A21-M25 PolarHBondContact O-N 3.46Å; G22-M25 PolarHBondContact O-N 3.41Å |
| 26 | Y | 92.6 | Very high | 93 | Very high | 126 Ų | 126 | 81.5 Ų | 81.5 | 49% | 0.494 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 17.5 | 178.4 | -63.7 | -65.7 | 0 | 0 | 0 | 113.6 | G22 M23 Q24 R28 Q29 L30 | G22-Y26 VanDerWaalsContact O-CD2 3.29Å; G22-Y26 WeakPolarHBondContact O-CD2 3.46Å; G22-Y26 PolarHBondContact O-N 3.48Å; G22-Y26 VanDerWaalsContact O-N 3.08Å; M23-Y26 CarbonylContact O-C 3.59Å; Q24-Y26 VanDerWaalsContact C-N 3.29Å; Q24-Y26 PolarHBondContact O-N 3.17Å; Y26-R28 VanDerWaalsContact C-N 3.31Å; Y26-R28 PolarHBondContact O-N 3.46Å; Y26-Q29 PolarHBondContact O-N 3.49Å; Y26-Q29 VanDerWaalsContact O-N 3.11Å; Y26-Q29 PolarHBondContact O-OE1 3.31Å; Y26-L30 WeakPolarHBondContact O-CG 3.18Å; Y26-L30 PolarHBondContact O-N 3.3Å |
| 27 | S | 91.8 | Very high | 93 | Very high | 32 Ų | 32 | 81.2 Ų | 81.2 | 22% | 0.224 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -56.3 | -42.7 | -175.5 | 53.5 | 0 | 0 | 0 | 0 | 112.9 | M23 Q24 Q29 L30 A31 | M23-S27 WeakPolarHBondContact O-CA 3.29Å; M23-S27 PolarHBondContact O-N 3.41Å; Q24-S27 VanDerWaalsContact O-CB 3.27Å; Q24-S27 WeakPolarHBondContact O-CB 3.19Å; Q24-S27 PolarHBondContact O-N 3.23Å; Q24-S27 PolarHBondContact O-OG 2.96Å; S27-Q29 PolarHBondContact O-N 2.82Å; S27-L30 PolarHBondContact O-N 3.28Å; S27-A31 WeakPolarHBondContact O-CB 3.11Å; S27-A31 PolarHBondContact O-N 2.78Å |
| 28 | R | 91 | Very high | 93 | Very high | 213 Ų | 213 | 78.5 Ų | 78.5 | 80% | 0.804 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -63 | -42.7 | 177.4 | -68 | -66.2 | -172.6 | -179 | -0.1 | 112.1 | Y26 A31 S32 | Y26-R28 VanDerWaalsContact C-N 3.31Å; Y26-R28 PolarHBondContact O-N 3.46Å; R28-A31 PolarHBondContact O-N 2.91Å; R28-S32 PolarHBondContact O-N 2.83Å |
| 29 | Q | 90.6 | Very high | 92.9 | Very high | 95 Ų | 95 | 78.1 Ų | 78.1 | 44% | 0.444 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.5 | -45.5 | 176.7 | -66 | 89.9 | -34.7 | 0 | 0 | 110.3 | Y26 S27 A31 S32 L36 | Y26-Q29 PolarHBondContact O-N 3.49Å; Y26-Q29 VanDerWaalsContact O-N 3.11Å; Y26-Q29 PolarHBondContact O-OE1 3.31Å; S27-Q29 PolarHBondContact O-N 2.82Å; Q29-A31 PolarHBondContact O-N 3.35Å; Q29-S32 WeakPolarHBondContact O-CB 3.08Å; Q29-S32 PolarHBondContact O-N 2.78Å; Q29-S32 PolarHBondContact O-OG 2.86Å; Q29-L36 WeakPolarHBondContact O-CD1 3.35Å |
| 30 | L | 86.4 | Confident | 93 | Very high | 11 Ų | 11 | 76 Ų | 76 | 6% | 0.058 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.6 | -32.5 | 179.2 | -71.4 | 174.4 | 0 | 0 | 0 | 112.7 | Y26 S27 S32 L36 T37 L43 I89 | Y26-L30 WeakPolarHBondContact O-CG 3.18Å; Y26-L30 PolarHBondContact O-N 3.3Å; S27-L30 PolarHBondContact O-N 3.28Å; L30-S32 VanDerWaalsContact C-N 3.34Å; L30-L36 CarbonylContact O-C 3.56Å; L30-L36 VanDerWaalsContact O-CB 3.31Å; L30-L36 WeakPolarHBondContact O-CB 3.38Å; L30-T37 WeakPolarHBondContact O-CG2 3.15Å; L30-T37 PolarHBondContact O-N 2.84Å; L30-T37 VanDerWaalsContact O-N 3.12Å; L30-L43 HydrophobicContact CD1-CD1 4.28Å; L30-L43 HydrophobicContact CD2-CD1 4.39Å; L30-I89 HydrophobicContact CB-CG2 3.62Å; L30-I89 HydrophobicContact CD1-CD1 3.93Å; L30-I89 HydrophobicContact CD1-CG2 4.44Å |
| 31 | A | 91.4 | Very high | 93 | Very high | 39 Ų | 39 | 72.3 Ų | 72.3 | 32% | 0.322 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -2.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | S27 R28 Q29 H90 | S27-A31 WeakPolarHBondContact O-CB 3.11Å; S27-A31 PolarHBondContact O-N 2.78Å; R28-A31 PolarHBondContact O-N 2.91Å; Q29-A31 PolarHBondContact O-N 3.35Å; A31-H90 HydrophobicContact CB-CB 4.3Å |
| 32 | S | 92.2 | Very high | 93 | Very high | 79 Ų | 79 | 74 Ų | 74 | 55% | 0.552 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -78.9 | -29.2 | -170.8 | 66.9 | 0 | 0 | 0 | 0 | 114.5 | R28 Q29 L30 | R28-S32 PolarHBondContact O-N 2.83Å; Q29-S32 WeakPolarHBondContact O-CB 3.08Å; Q29-S32 PolarHBondContact O-N 2.78Å; Q29-S32 PolarHBondContact O-OG 2.86Å; L30-S32 VanDerWaalsContact C-N 3.34Å |
| 33 | T | 92.9 | Very high | 93.1 | Very high | 68 Ų | 68 | 75.5 Ų | 75.5 | 42% | 0.417 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -139 | 154.3 | -178.1 | 61.6 | 0 | 0 | 0 | 0 | 110.4 | W35 L36 T37 | T33-W35 VanDerWaalsContact C-N 3.32Å; T33-W35 PolarHBondContact O-N 3.33Å; T33-L36 PolarHBondContact O-N 3.19Å; T33-L36 VanDerWaalsContact O-N 3.15Å; T33-L36 WeakPolarHBondContact OG1-CB 2.92Å; T33-L36 WeakPolarHBondContact OG1-CD1 3.2Å; T33-L36 WeakPolarHBondContact OG1-CG 3.23Å; T33-L36 PolarHBondContact OG1-N 3.34Å; T33-T37 PolarHBondContact O-N 3.35Å; T33-T37 VanDerWaalsContact O-N 3.07Å |
| 34 | E | 91.3 | Very high | 93.2 | Very high | 166 Ų | 166 | 75.4 Ų | 75.4 | 78% | 0.776 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -58.2 | -44.9 | -179.7 | -59.5 | -176.7 | 129.9 | 0 | 0 | 111.7 | L36 T37 I38 | E34-L36 VanDerWaalsContact C-N 3.31Å; E34-L36 PolarHBondContact O-N 3Å; E34-T37 PolarHBondContact O-N 3.44Å; E34-T37 VanDerWaalsContact O-N 3.1Å; E34-T37 PolarHBondContact O-OG1 3.3Å; E34-I38 PolarHBondContact O-N 3.46Å; E34-I38 VanDerWaalsContact O-N 3.15Å |
| 35 | W | 93.4 | Very high | 93.4 | Very high | 209 Ų | 209 | 73.6 Ų | 73.6 | 79% | 0.792 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -56.5 | -43.1 | 176 | -88.3 | 108.5 | 0 | 0 | 0 | 112.9 | T33 T37 I38 Q39 | T33-W35 VanDerWaalsContact C-N 3.32Å; T33-W35 PolarHBondContact O-N 3.33Å; W35-T37 VanDerWaalsContact C-N 3.32Å; W35-T37 PolarHBondContact O-N 3.35Å; W35-I38 PolarHBondContact O-N 2.81Å; W35-Q39 PolarHBondContact O-N 2.89Å |
| 36 | L | 93.6 | Very high | 93.4 | Very high | 48 Ų | 48 | 68.5 Ų | 68.5 | 25% | 0.251 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -71.5 | -27.4 | 179.4 | -70.7 | 177 | 0 | 0 | 0 | 112.6 | Q29 L30 T33 E34 Q39 G40 | Q29-L36 WeakPolarHBondContact O-CD1 3.35Å; L30-L36 CarbonylContact O-C 3.56Å; L30-L36 VanDerWaalsContact O-CB 3.31Å; L30-L36 WeakPolarHBondContact O-CB 3.38Å; T33-L36 PolarHBondContact O-N 3.19Å; T33-L36 VanDerWaalsContact O-N 3.15Å; T33-L36 WeakPolarHBondContact OG1-CB 2.92Å; T33-L36 WeakPolarHBondContact OG1-CD1 3.2Å; T33-L36 WeakPolarHBondContact OG1-CG 3.23Å; T33-L36 PolarHBondContact OG1-N 3.34Å; E34-L36 VanDerWaalsContact C-N 3.31Å; E34-L36 PolarHBondContact O-N 3Å; L36-Q39 PolarHBondContact O-N 3.02Å; L36-G40 PolarHBondContact O-N 2.95Å |
| 37 | T | 94.1 | Very high | 93.6 | Very high | 9 Ų | 9 | 62.7 Ų | 62.7 | 6% | 0.055 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.4 | -35.6 | 172.3 | 64.8 | 0 | 0 | 0 | 0 | 112.2 | L30 T33 E34 W35 G40 G41 H90 C93 | L30-T37 WeakPolarHBondContact O-CG2 3.15Å; L30-T37 PolarHBondContact O-N 2.84Å; L30-T37 VanDerWaalsContact O-N 3.12Å; T33-T37 PolarHBondContact O-N 3.35Å; T33-T37 VanDerWaalsContact O-N 3.07Å; E34-T37 PolarHBondContact O-N 3.44Å; E34-T37 VanDerWaalsContact O-N 3.1Å; E34-T37 PolarHBondContact O-OG1 3.3Å; W35-T37 VanDerWaalsContact C-N 3.32Å; W35-T37 PolarHBondContact O-N 3.35Å; T37-G40 PolarHBondContact O-N 2.88Å; T37-G41 PolarHBondContact O-N 3.05Å; T37-H90 HydrophobicContact CG2-CB 4.3Å; T37-C93 PolarHBondContact O-SG 3.1Å |
| 38 | I | 94.9 | Very high | 93.8 | Very high | 66 Ų | 66 | 61.1 Ų | 61.1 | 34% | 0.338 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.8 | -44.1 | 172.6 | -60.9 | 169.7 | 0 | 0 | 0 | 110 | E34 W35 G40 G41 L42 T96 F100 | E34-I38 PolarHBondContact O-N 3.46Å; E34-I38 VanDerWaalsContact O-N 3.15Å; W35-I38 PolarHBondContact O-N 2.81Å; I38-G40 VanDerWaalsContact C-N 3.3Å; I38-G40 PolarHBondContact O-N 2.86Å; I38-G41 PolarHBondContact O-N 3.03Å; I38-G41 VanDerWaalsContact O-N 3.17Å; I38-L42 PolarHBondContact O-N 3.42Å; I38-T96 HydrophobicContact CG1-CG2 4.23Å; I38-F100 HydrophobicContact CG2-CE2 4.01Å; I38-F100 HydrophobicContact CG2-CZ 4.19Å |
| 39 | Q | 94 | Very high | 94 | Very high | 99 Ų | 99 | 53.2 Ų | 53.2 | 46% | 0.463 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.7 | -38.8 | 174.7 | -174.8 | 178.3 | -30 | 0 | 0 | 111.7 | W35 L36 G41 L42 L43 | W35-Q39 PolarHBondContact O-N 2.89Å; L36-Q39 PolarHBondContact O-N 3.02Å; Q39-G41 VanDerWaalsContact C-N 3.32Å; Q39-G41 PolarHBondContact O-N 3.3Å; Q39-L42 WeakPolarHBondContact O-CB 3.43Å; Q39-L42 PolarHBondContact O-N 2.87Å; Q39-L43 WeakPolarHBondContact O-CG 3.43Å; Q39-L43 PolarHBondContact O-N 2.79Å |
| 40 | G | 95 | Very high | 94.2 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.5 | -42.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | L36 T37 I38 L43 G44 | L36-G40 PolarHBondContact O-N 2.95Å; T37-G40 PolarHBondContact O-N 2.88Å; I38-G40 VanDerWaalsContact C-N 3.3Å; I38-G40 PolarHBondContact O-N 2.86Å; G40-L43 PolarHBondContact O-N 3.39Å; G40-G44 PolarHBondContact O-N 3.29Å |
| 41 | G | 95.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.5 | -40.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | T37 I38 Q39 G44 S45 T96 C97 | T37-G41 PolarHBondContact O-N 3.05Å; I38-G41 PolarHBondContact O-N 3.03Å; I38-G41 VanDerWaalsContact O-N 3.17Å; Q39-G41 VanDerWaalsContact C-N 3.32Å; Q39-G41 PolarHBondContact O-N 3.3Å; G41-G44 PolarHBondContact O-N 3.36Å; G41-S45 PolarHBondContact O-N 3.05Å; G41-T96 WeakPolarHBondContact CA-OG1 3.29Å; G41-C97 WeakPolarHBondContact O-CA 3.41Å |
| 42 | L | 96 | Very high | 94.6 | Very high | 93 Ų | 93 | 50.5 Ų | 50.5 | 49% | 0.487 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 174.8 | -179.5 | 64.8 | 0 | 0 | 0 | 111.4 | I38 Q39 G44 S45 G46 F100 | I38-L42 PolarHBondContact O-N 3.42Å; Q39-L42 WeakPolarHBondContact O-CB 3.43Å; Q39-L42 PolarHBondContact O-N 2.87Å; L42-G44 VanDerWaalsContact C-N 3.31Å; L42-G44 PolarHBondContact O-N 3.08Å; L42-S45 PolarHBondContact O-N 3.27Å; L42-S45 PolarHBondContact O-OG 2.99Å; L42-G46 PolarHBondContact O-N 2.95Å; L42-F100 HydrophobicContact CB-CD2 4.29Å; L42-F100 HydrophobicContact CB-CE2 4.28Å; L42-F100 HydrophobicContact CD1-CD1 4.31Å; L42-F100 HydrophobicContact CD1-CG 4.3Å |
| 43 | L | 95.5 | Very high | 94.5 | Very high | 55 Ų | 55 | 49.1 Ų | 49.1 | 29% | 0.288 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.5 | -40.4 | 174.5 | -68.3 | 173.6 | 0 | 0 | 0 | 111.5 | L19 M23 L30 Q39 G40 S45 G46 L47 | L19-L43 HydrophobicContact CD2-CD2 4.24Å; M23-L43 HydrophobicContact CG-CB 3.87Å; M23-L43 HydrophobicContact CG-CD1 4.18Å; M23-L43 HydrophobicContact SD-CB 3.58Å; M23-L43 VanDerWaalsContact SD-CB 3.58Å; L30-L43 HydrophobicContact CD1-CD1 4.28Å; L30-L43 HydrophobicContact CD2-CD1 4.39Å; Q39-L43 WeakPolarHBondContact O-CG 3.43Å; Q39-L43 PolarHBondContact O-N 2.79Å; G40-L43 PolarHBondContact O-N 3.39Å; L43-S45 PolarHBondContact O-N 3.38Å; L43-G46 WeakPolarHBondContact O-CA 3.34Å; L43-G46 PolarHBondContact O-N 3.4Å; L43-G46 VanDerWaalsContact O-N 3.1Å; L43-L47 PolarHBondContact O-N 3.34Å |
| 44 | G | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.8 | -40.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | M23 G40 G41 L42 G46 L47 F48 S86 | M23-G44 PolarHBondContact SD-N 3.46Å; G40-G44 PolarHBondContact O-N 3.29Å; G41-G44 PolarHBondContact O-N 3.36Å; L42-G44 VanDerWaalsContact C-N 3.31Å; L42-G44 PolarHBondContact O-N 3.08Å; G44-G46 VanDerWaalsContact C-N 3.28Å; G44-G46 PolarHBondContact O-N 2.94Å; G44-L47 VanDerWaalsContact O-CB 3.3Å; G44-L47 WeakPolarHBondContact O-CB 3.22Å; G44-L47 PolarHBondContact O-N 3.48Å; G44-L47 VanDerWaalsContact O-N 3.17Å; G44-F48 PolarHBondContact O-N 2.93Å; G44-S86 WeakPolarHBondContact CA-OG 3.32Å |
| 45 | S | 96.9 | Very high | 94.5 | Very high | 12 Ų | 12 | 41.8 Ų | 41.8 | 8% | 0.084 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.5 | -31.6 | 173.2 | 76.9 | 0 | 0 | 0 | 0 | 112.4 | G41 L42 L43 F48 V49 F100 | G41-S45 PolarHBondContact O-N 3.05Å; L42-S45 PolarHBondContact O-N 3.27Å; L42-S45 PolarHBondContact O-OG 2.99Å; L43-S45 PolarHBondContact O-N 3.38Å; S45-F48 WeakPolarHBondContact O-CB 3.43Å; S45-F48 PolarHBondContact O-N 3.24Å; S45-V49 WeakPolarHBondContact O-CG2 3.49Å; S45-V49 PolarHBondContact O-N 3.44Å; S45-F100 VanDerWaalsContact CB-CB 3.47Å; S45-F100 WeakPolarHBondContact OG-CB 3.32Å |
| 46 | G | 95.5 | Very high | 94.2 | Very high | 18 Ų | 18 | 35 Ų | 35 | 19% | 0.186 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.5 | -45.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L42 L43 G44 F48 V49 F50 | L42-G46 PolarHBondContact O-N 2.95Å; L43-G46 WeakPolarHBondContact O-CA 3.34Å; L43-G46 PolarHBondContact O-N 3.4Å; L43-G46 VanDerWaalsContact O-N 3.1Å; G44-G46 VanDerWaalsContact C-N 3.28Å; G44-G46 PolarHBondContact O-N 2.94Å; G46-F48 VanDerWaalsContact C-N 3.29Å; G46-F48 PolarHBondContact O-N 2.77Å; G46-V49 PolarHBondContact O-N 2.7Å; G46-F50 WeakPolarHBondContact O-CD2 3.45Å; G46-F50 PolarHBondContact O-N 2.88Å |
| 47 | L | 95.8 | Very high | 93.9 | Very high | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.6 | -43.9 | 172.2 | -81.4 | -161.1 | 0 | 0 | 0 | 112.8 | S16 L19 F20 M23 L43 G44 V49 F50 S51 A85 | S16-L47 WeakPolarHBondContact O-CD2 3.13Å; L19-L47 HydrophobicContact CB-CD2 3.31Å; L19-L47 HydrophobicContact CB-CG 4.14Å; L19-L47 HydrophobicContact CD1-CD2 4.27Å; L19-L47 HydrophobicContact CG-CD2 4.45Å; F20-L47 HydrophobicContact CB-CD1 3.86Å; F20-L47 HydrophobicContact CB-CD2 4.3Å; F20-L47 HydrophobicContact CD2-CD1 3.99Å; F20-L47 HydrophobicContact CG-CD1 4.44Å; M23-L47 HydrophobicContact CE-CD1 3.16Å; M23-L47 HydrophobicContact CE-CG 3.64Å; L43-L47 PolarHBondContact O-N 3.34Å; G44-L47 VanDerWaalsContact O-CB 3.3Å; G44-L47 WeakPolarHBondContact O-CB 3.22Å; G44-L47 PolarHBondContact O-N 3.48Å; G44-L47 VanDerWaalsContact O-N 3.17Å; L47-V49 VanDerWaalsContact C-N 3.34Å; L47-V49 PolarHBondContact O-N 2.94Å; L47-F50 PolarHBondContact O-N 3.09Å; L47-S51 WeakPolarHBondContact O-CB 3.34Å; L47-S51 PolarHBondContact O-N 2.68Å; L47-S51 PolarHBondContact O-OG 3.47Å; L47-A85 HydrophobicContact CD1-CB 3.81Å |
| 48 | F | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.6 | -47.7 | 177 | 167.7 | -109.7 | 0 | 0 | 0 | 111.4 | G44 S45 G46 S51 L52 I75 C78 L79 A82 L105 | G44-F48 PolarHBondContact O-N 2.93Å; S45-F48 WeakPolarHBondContact O-CB 3.43Å; S45-F48 PolarHBondContact O-N 3.24Å; G46-F48 VanDerWaalsContact C-N 3.29Å; G46-F48 PolarHBondContact O-N 2.77Å; F48-S51 PolarHBondContact O-N 3.24Å; F48-L52 HydrophobicContact CD1-CD1 4.2Å; F48-L52 HydrophobicContact CD2-CD1 4.17Å; F48-L52 HydrophobicContact CD2-CG 4.27Å; F48-L52 HydrophobicContact CE1-CD1 3.59Å; F48-L52 HydrophobicContact CE2-CD1 3.56Å; F48-L52 HydrophobicContact CE2-CG 3.9Å; F48-L52 HydrophobicContact CG-CD1 4.47Å; F48-L52 HydrophobicContact CZ-CD1 3.25Å; F48-L52 HydrophobicContact CZ-CG 4.12Å; F48-L52 WeakPolarHBondContact O-CB 3.49Å; F48-L52 WeakPolarHBondContact O-CG 3.36Å; F48-L52 PolarHBondContact O-N 2.89Å; F48-I75 HydrophobicContact CE2-CG2 4.16Å; F48-I75 HydrophobicContact CZ-CG2 4.06Å; F48-C78 HydrophobicContact CD2-CB 3.86Å; F48-C78 HydrophobicContact CE2-CB 4.02Å; F48-L79 HydrophobicContact CD2-CB 4.17Å; F48-L79 HydrophobicContact CD2-CD1 4.38Å; F48-L79 HydrophobicContact CE2-CB 3.92Å; F48-L79 HydrophobicContact CE2-CD1 4.38Å; F48-A82 HydrophobicContact CB-CB 3.69Å; F48-L105 HydrophobicContact CE1-CB 4.14Å; F48-L105 HydrophobicContact CZ-CB 4.34Å; F48-L105 HydrophobicContact CZ-CD1 3.99Å |
| 49 | V | 94.9 | Very high | 93.2 | Very high | 46 Ų | 46 | 35 Ų | 35 | 28% | 0.279 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -65 | -44.6 | 179.9 | 174.2 | 0 | 0 | 0 | 0 | 112.2 | S45 G46 L47 L52 T53 I108 | S45-V49 WeakPolarHBondContact O-CG2 3.49Å; S45-V49 PolarHBondContact O-N 3.44Å; G46-V49 PolarHBondContact O-N 2.7Å; L47-V49 VanDerWaalsContact C-N 3.34Å; L47-V49 PolarHBondContact O-N 2.94Å; V49-L52 PolarHBondContact O-N 3.49Å; V49-T53 WeakPolarHBondContact O-CB 3.11Å; V49-T53 PolarHBondContact O-N 3.45Å; V49-T53 PolarHBondContact O-OG1 2.95Å; V49-I108 HydrophobicContact CG1-CD1 4.23Å; V49-I108 HydrophobicContact CG2-CD1 4.08Å |
| 50 | F | 94.8 | Very high | 92.7 | Very high | 64 Ų | 64 | 32.1 Ų | 32.1 | 28% | 0.281 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -71 | -37 | 179.3 | -65.9 | -55.7 | 0 | 0 | 0 | 112.4 | L15 L19 G46 L47 T53 A54 | L15-F50 HydrophobicContact CB-CD1 4.48Å; L15-F50 HydrophobicContact CB-CG 4.33Å; L15-F50 HydrophobicContact CD2-CD1 4.07Å; L15-F50 HydrophobicContact CD2-CE1 3.66Å; L15-F50 HydrophobicContact CD2-CE2 4.15Å; L15-F50 HydrophobicContact CD2-CZ 3.7Å; L19-F50 HydrophobicContact CD1-CD2 3.34Å; L19-F50 HydrophobicContact CD1-CE2 3.42Å; L19-F50 VanDerWaalsContact CD1-CE2 3.42Å; G46-F50 WeakPolarHBondContact O-CD2 3.45Å; G46-F50 PolarHBondContact O-N 2.88Å; L47-F50 PolarHBondContact O-N 3.09Å; F50-T53 PolarHBondContact O-N 2.82Å; F50-A54 WeakPolarHBondContact O-CB 3.49Å; F50-A54 PolarHBondContact O-N 2.96Å |
| 51 | S | 94.5 | Very high | 92.2 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 3% | 0.028 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60 | -52.6 | 172.3 | -62.5 | 0 | 0 | 0 | 0 | 109.8 | S16 L47 F48 T53 A54 F55 | S16-S51 PolarHBondContact OG-OG 3.03Å; S16-S51 VanDerWaalsContact OG-OG 3.09Å; L47-S51 WeakPolarHBondContact O-CB 3.34Å; L47-S51 PolarHBondContact O-N 2.68Å; L47-S51 PolarHBondContact O-OG 3.47Å; F48-S51 PolarHBondContact O-N 3.24Å; S51-T53 PolarHBondContact O-N 3.45Å; S51-A54 WeakPolarHBondContact O-CB 3.02Å; S51-A54 PolarHBondContact O-N 3.47Å; S51-F55 VanDerWaalsContact O-CB 3.29Å; S51-F55 WeakPolarHBondContact O-CB 3.35Å; S51-F55 WeakPolarHBondContact O-CD2 3.44Å; S51-F55 PolarHBondContact O-N 3.2Å |
| 52 | L | 92.2 | Very high | 91.7 | Very high | 20 Ų | 20 | 41.9 Ų | 41.9 | 11% | 0.105 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -54.1 | -41.3 | 176 | -86.9 | -179.6 | 0 | 0 | 0 | 112.7 | F48 V49 N56 E74 I75 C78 I108 | F48-L52 HydrophobicContact CD1-CD1 4.2Å; F48-L52 HydrophobicContact CD2-CD1 4.17Å; F48-L52 HydrophobicContact CD2-CG 4.27Å; F48-L52 HydrophobicContact CE1-CD1 3.59Å; F48-L52 HydrophobicContact CE2-CD1 3.56Å; F48-L52 HydrophobicContact CE2-CG 3.9Å; F48-L52 HydrophobicContact CG-CD1 4.47Å; F48-L52 HydrophobicContact CZ-CD1 3.25Å; F48-L52 HydrophobicContact CZ-CG 4.12Å; F48-L52 WeakPolarHBondContact O-CB 3.49Å; F48-L52 WeakPolarHBondContact O-CG 3.36Å; F48-L52 PolarHBondContact O-N 2.89Å; V49-L52 PolarHBondContact O-N 3.49Å; L52-N56 WeakPolarHBondContact O-CB 3.33Å; L52-N56 PolarHBondContact O-N 2.88Å; L52-E74 HydrophobicContact CD2-CG 4.4Å; L52-I75 HydrophobicContact CD1-CG1 4.29Å; L52-I75 HydrophobicContact CD2-CB 4.46Å; L52-I75 HydrophobicContact CD2-CG1 3.71Å; L52-C78 HydrophobicContact CD2-CB 3.95Å; L52-C78 HydrophobicContact CG-CB 3.92Å; L52-I108 HydrophobicContact CD1-CD1 4.41Å |
| 53 | T | 90.9 | Very high | 91.1 | Very high | 51 Ų | 51 | 43.6 Ų | 43.6 | 31% | 0.313 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -67.1 | -41.1 | 178.7 | -54.6 | 0 | 0 | 0 | 0 | 111.3 | S12 V49 F50 S51 N57 | S12-T53 VanDerWaalsContact OG-CG2 3.31Å; S12-T53 WeakPolarHBondContact OG-CG2 3.27Å; V49-T53 WeakPolarHBondContact O-CB 3.11Å; V49-T53 PolarHBondContact O-N 3.45Å; V49-T53 PolarHBondContact O-OG1 2.95Å; F50-T53 PolarHBondContact O-N 2.82Å; S51-T53 PolarHBondContact O-N 3.45Å; T53-N57 VanDerWaalsContact O-CB 3.29Å; T53-N57 WeakPolarHBondContact O-CB 3.4Å; T53-N57 PolarHBondContact O-N 3.04Å; T53-N57 PolarHBondContact O-ND2 3.4Å |
| 54 | A | 92.2 | Very high | 90.2 | Very high | 14 Ų | 14 | 42.3 Ų | 42.3 | 12% | 0.116 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.7 | -46 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F50 S51 N57 L58 | F50-A54 WeakPolarHBondContact O-CB 3.49Å; F50-A54 PolarHBondContact O-N 2.96Å; S51-A54 WeakPolarHBondContact O-CB 3.02Å; S51-A54 PolarHBondContact O-N 3.47Å; A54-N57 PolarHBondContact O-N 2.91Å; A54-L58 WeakPolarHBondContact O-CB 3.45Å; A54-L58 PolarHBondContact O-N 3.29Å |
| 55 | F | 90.7 | Very high | 88.7 | Confident | 65 Ų | 65 | 51.8 Ų | 51.8 | 29% | 0.285 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.4 | -49.9 | 179.9 | -97.6 | -64.4 | 0 | 0 | 0 | 112.1 | S51 N57 L58 E59 E74 L77 C78 | S51-F55 VanDerWaalsContact O-CB 3.29Å; S51-F55 WeakPolarHBondContact O-CB 3.35Å; S51-F55 WeakPolarHBondContact O-CD2 3.44Å; S51-F55 PolarHBondContact O-N 3.2Å; F55-N57 VanDerWaalsContact C-N 3.31Å; F55-N57 PolarHBondContact O-N 3.23Å; F55-L58 WeakPolarHBondContact O-CA 3.3Å; F55-L58 WeakPolarHBondContact O-CB 3.44Å; F55-L58 PolarHBondContact O-N 2.84Å; F55-E59 PolarHBondContact O-N 3.49Å; F55-E74 VanDerWaalsContact C-OE1 3.3Å; F55-E74 HydrophobicContact CB-CG 3.96Å; F55-E74 WeakPolarHBondContact CB-OE1 3.39Å; F55-E74 VanDerWaalsContact CD1-OE1 3.27Å; F55-E74 WeakPolarHBondContact CD1-OE1 3.39Å; F55-E74 HydrophobicContact CG-CG 4.5Å; F55-E74 WeakPolarHBondContact CG-OE1 3.2Å; F55-L77 HydrophobicContact CE1-CD2 4.08Å; F55-L77 HydrophobicContact CZ-CD2 4.03Å; F55-C78 WeakPolarHBondContact CD2-SG 3.36Å |
| 56 | N | 88.5 | Confident | 87 | Confident | 66 Ų | 66 | 54.4 Ų | 54.4 | 35% | 0.353 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.6 | -39 | 173.2 | -178.5 | 67.2 | 0 | 0 | 0 | 112.8 | L52 N60 | L52-N56 WeakPolarHBondContact O-CB 3.33Å; L52-N56 PolarHBondContact O-N 2.88Å; N56-N60 WeakPolarHBondContact O-CB 3.38Å; N56-N60 PolarHBondContact O-N 3.1Å |
| 57 | N | 87.5 | Confident | 85.1 | Confident | 22 Ų | 22 | 57.7 Ų | 57.7 | 12% | 0.118 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -69.4 | -33.3 | 175 | -75 | -34.6 | 0 | 0 | 0 | 112.5 | T5 S8 L9 T53 A54 F55 L61 | T5-N57 HydrophobicContact CG2-CB 4.04Å; T5-N57 WeakPolarHBondContact CG2-O 3.26Å; S8-N57 WeakPolarHBondContact CB-ND2 3.05Å; L9-N57 HydrophobicContact CB-CB 3.95Å; L9-N57 HydrophobicContact CD1-CB 4.39Å; T53-N57 VanDerWaalsContact O-CB 3.29Å; T53-N57 WeakPolarHBondContact O-CB 3.4Å; T53-N57 PolarHBondContact O-N 3.04Å; T53-N57 PolarHBondContact O-ND2 3.4Å; A54-N57 PolarHBondContact O-N 2.91Å; F55-N57 VanDerWaalsContact C-N 3.31Å; F55-N57 PolarHBondContact O-N 3.23Å; N57-L61 WeakPolarHBondContact O-CB 3.42Å; N57-L61 PolarHBondContact O-N 3.3Å |
| 58 | L | 87.9 | Confident | 83.3 | Confident | 76 Ų | 76 | 63.8 Ų | 63.8 | 40% | 0.398 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.5 | -47.6 | 176.8 | -179.2 | 72.7 | 0 | 0 | 0 | 109.9 | L9 A54 F55 N60 L61 V62 | L9-L58 VanDerWaalsContact CD1-CA 3.47Å; L9-L58 HydrophobicContact CD1-CB 3.66Å; L9-L58 HydrophobicContact CD1-CD1 3.83Å; L9-L58 HydrophobicContact CD1-CG 4.38Å; A54-L58 WeakPolarHBondContact O-CB 3.45Å; A54-L58 PolarHBondContact O-N 3.29Å; F55-L58 WeakPolarHBondContact O-CA 3.3Å; F55-L58 WeakPolarHBondContact O-CB 3.44Å; F55-L58 PolarHBondContact O-N 2.84Å; L58-N60 VanDerWaalsContact C-N 3.3Å; L58-N60 PolarHBondContact O-N 3.3Å; L58-L61 WeakPolarHBondContact O-CB 3.36Å; L58-L61 PolarHBondContact O-N 3.44Å; L58-L61 VanDerWaalsContact O-N 3.08Å; L58-V62 HydrophobicContact CD1-CG2 4.22Å; L58-V62 HydrophobicContact CG-CG2 4.35Å; L58-V62 WeakPolarHBondContact O-CB 3.31Å; L58-V62 WeakPolarHBondContact O-CG2 3.15Å; L58-V62 PolarHBondContact O-N 2.94Å |
| 59 | E | 85.5 | Confident | 81.2 | Confident | 25 Ų | 25 | 64.6 Ų | 64.6 | 12% | 0.117 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.5 | -43 | 175.4 | -70.3 | -165.9 | 148.1 | 0 | 0 | 111.4 | F55 L61 V62 F63 F67 A69 | F55-E59 PolarHBondContact O-N 3.49Å; E59-L61 PolarHBondContact O-N 3Å; E59-V62 PolarHBondContact O-N 3.49Å; E59-F63 HydrophobicContact CB-CD2 3.99Å; E59-F63 HydrophobicContact CG-CD2 4.2Å; E59-F63 HydrophobicContact CG-CE2 4.23Å; E59-F63 WeakPolarHBondContact O-CA 3.47Å; E59-F63 WeakPolarHBondContact O-CB 3.26Å; E59-F63 PolarHBondContact O-N 2.69Å; E59-F67 HydrophobicContact CB-CD1 4.34Å; E59-A69 VanDerWaalsContact OE2-CA 3.23Å; E59-A69 WeakPolarHBondContact OE2-CA 3.48Å; E59-A69 WeakPolarHBondContact OE2-CB 3.35Å |
| 60 | N | 83.9 | Confident | 79.6 | Confident | 40 Ų | 40 | 69.9 Ų | 69.9 | 21% | 0.214 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.4 | -28.1 | 176.5 | -171.1 | 72.1 | 0 | 0 | 0 | 113.2 | T5 N56 L58 G64 K65 | T5-N60 HydrophobicContact CG2-CB 4.29Å; T5-N60 WeakPolarHBondContact CG2-ND2 3.45Å; N56-N60 WeakPolarHBondContact O-CB 3.38Å; N56-N60 PolarHBondContact O-N 3.1Å; L58-N60 VanDerWaalsContact C-N 3.3Å; L58-N60 PolarHBondContact O-N 3.3Å; N60-G64 CarbonylContact O-C 3.12Å; N60-G64 VanDerWaalsContact O-CA 3.29Å; N60-G64 WeakPolarHBondContact O-CA 3.46Å; N60-G64 PolarHBondContact O-N 3.44Å; N60-G64 PolarHBondContact OD1-O 3.35Å; N60-K65 WeakPolarHBondContact OD1-CA 3.42Å |
| 61 | L | 84.4 | Confident | 78.1 | Confident | 109 Ų | 109 | 70.4 Ų | 70.4 | 57% | 0.571 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -78.8 | -42.2 | 175.3 | -169.2 | 77.5 | 0 | 0 | 0 | 112 | N57 L58 E59 | N57-L61 WeakPolarHBondContact O-CB 3.42Å; N57-L61 PolarHBondContact O-N 3.3Å; L58-L61 WeakPolarHBondContact O-CB 3.36Å; L58-L61 PolarHBondContact O-N 3.44Å; L58-L61 VanDerWaalsContact O-N 3.08Å; E59-L61 PolarHBondContact O-N 3Å |
| 62 | V | 85.1 | Confident | 77 | Confident | 96 Ų | 96 | 78.9 Ų | 78.9 | 58% | 0.582 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -82.8 | -45.9 | -174 | 174.6 | 0 | 0 | 0 | 0 | 111.9 | L58 E59 | L58-V62 HydrophobicContact CD1-CG2 4.22Å; L58-V62 HydrophobicContact CG-CG2 4.35Å; L58-V62 WeakPolarHBondContact O-CB 3.31Å; L58-V62 WeakPolarHBondContact O-CG2 3.15Å; L58-V62 PolarHBondContact O-N 2.94Å; E59-V62 PolarHBondContact O-N 3.49Å |
| 63 | F | 83 | Confident | 76.7 | Confident | 128 Ų | 128 | 81.8 Ų | 81.8 | 56% | 0.561 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -8.5 | -177.4 | -58.9 | -69.1 | 0 | 0 | 0 | 113.4 | E59 F67 | E59-F63 HydrophobicContact CB-CD2 3.99Å; E59-F63 HydrophobicContact CG-CD2 4.2Å; E59-F63 HydrophobicContact CG-CE2 4.23Å; E59-F63 WeakPolarHBondContact O-CA 3.47Å; E59-F63 WeakPolarHBondContact O-CB 3.26Å; E59-F63 PolarHBondContact O-N 2.69Å; F63-F67 HydrophobicContact CB-CB 3.69Å; F63-F67 HydrophobicContact CB-CD1 4.23Å; F63-F67 HydrophobicContact CB-CD2 3.94Å; F63-F67 HydrophobicContact CB-CG 3.7Å; F63-F67 HydrophobicContact CD2-CD1 4.07Å; F63-F67 HydrophobicContact CD2-CE1 4.22Å; F63-F67 HydrophobicContact CD2-CG 4.38Å; F63-F67 HydrophobicContact CG-CD1 4.35Å; F63-F67 HydrophobicContact CG-CD2 4.35Å; F63-F67 HydrophobicContact CG-CG 4.21Å |
| 64 | G | 76.6 | Confident | 76.6 | Confident | 29 Ų | 29 | 80.2 Ų | 80.2 | 30% | 0.299 | 42% | 0.418 | S | S | . | . | trans | 97.7 | 171.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | N60 G66 F67 | N60-G64 CarbonylContact O-C 3.12Å; N60-G64 VanDerWaalsContact O-CA 3.29Å; N60-G64 WeakPolarHBondContact O-CA 3.46Å; N60-G64 PolarHBondContact O-N 3.44Å; N60-G64 PolarHBondContact OD1-O 3.35Å; G64-G66 PolarHBondContact O-N 3.4Å; G64-F67 PolarHBondContact O-N 2.98Å | ||
| 65 | K | 66.1 | Low | 76.5 | Confident | 199 Ų | 199 | 80.8 Ų | 80.8 | 87% | 0.865 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | 12.7 | -163.1 | -72 | -178.8 | 175.2 | 175.5 | 0 | 117.6 | N60 | N60-K65 WeakPolarHBondContact OD1-CA 3.42Š|
| 66 | G | 60.8 | Low | 76.6 | Confident | 66 Ų | 66 | 82.4 Ų | 82.4 | 68% | 0.68 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -160.3 | 16.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | G64 Q68 | G64-G66 PolarHBondContact O-N 3.4Å; G66-Q68 PolarHBondContact O-N 3.4Å |
| 67 | F | 56.2 | Low | 76.8 | Confident | 88 Ų | 88 | 83.6 Ų | 83.6 | 39% | 0.386 | 44% | 0.436 | S | S | . | . | trans | -63.9 | 105.8 | 168.1 | -168.7 | -105.6 | 0 | 0 | 0 | 107.4 | E59 F63 G64 A69 | E59-F67 HydrophobicContact CB-CD1 4.34Å; F63-F67 HydrophobicContact CB-CB 3.69Å; F63-F67 HydrophobicContact CB-CD1 4.23Å; F63-F67 HydrophobicContact CB-CD2 3.94Å; F63-F67 HydrophobicContact CB-CG 3.7Å; F63-F67 HydrophobicContact CD2-CD1 4.07Å; F63-F67 HydrophobicContact CD2-CE1 4.22Å; F63-F67 HydrophobicContact CD2-CG 4.38Å; F63-F67 HydrophobicContact CG-CD1 4.35Å; F63-F67 HydrophobicContact CG-CD2 4.35Å; F63-F67 HydrophobicContact CG-CG 4.21Å; G64-F67 PolarHBondContact O-N 2.98Å; F67-A69 PolarHBondContact O-N 3.45Å | ||
| 68 | Q | 56.4 | Low | 77.2 | Confident | 131 Ų | 131 | 82.6 Ų | 82.6 | 61% | 0.612 | 43% | 0.43 | S | S | * | . | trans | -64.4 | 89.5 | 164.9 | -90.5 | -94.6 | -54.5 | 0 | 0 | 105.7 | G66 K70 | G66-Q68 PolarHBondContact O-N 3.4Å; Q68-K70 PolarHBondContact O-N 3.38Å | ||
| 69 | A | 52.9 | Low | 77.5 | Confident | 18 Ų | 18 | 79.7 Ų | 79.7 | 15% | 0.149 | 42% | 0.415 | C | S | . | . | trans | -35.9 | 118.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | E59 F67 I71 | E59-A69 VanDerWaalsContact OE2-CA 3.23Å; E59-A69 WeakPolarHBondContact OE2-CA 3.48Å; E59-A69 WeakPolarHBondContact OE2-CB 3.35Å; F67-A69 PolarHBondContact O-N 3.45Å; A69-I71 VanDerWaalsContact C-N 3.27Å; A69-I71 PolarHBondContact O-N 3Å | ||
| 70 | K | 60.4 | Low | 78 | Confident | 157 Ų | 157 | 83.4 Ų | 83.4 | 68% | 0.683 | 44% | 0.435 | S | S | * | . | trans | -63.5 | 104.1 | 173.1 | -77.5 | -173.6 | 175.4 | -177.2 | 0 | 104.5 | Q68 F72 P73 | Q68-K70 PolarHBondContact O-N 3.38Å; K70-F72 PolarHBondContact O-N 2.91Å; K70-P73 HydrophobicContact CB-CG 3.93Å; K70-P73 WeakPolarHBondContact O-CD 3.4Å; K70-P73 WeakPolarHBondContact O-CG 3.29Å | ||
| 71 | I | 65 | Low | 78.5 | Confident | 74 Ų | 74 | 85.5 Ų | 85.5 | 38% | 0.379 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -44.7 | -34.2 | -178.5 | -77 | -168.8 | 0 | 0 | 0 | 111 | A69 I75 | A69-I71 VanDerWaalsContact C-N 3.27Å; A69-I71 PolarHBondContact O-N 3Å; I71-I75 HydrophobicContact CB-CD1 4Å; I71-I75 HydrophobicContact CG1-CD1 4.45Å; I71-I75 HydrophobicContact CG2-CD1 3.26Å; I71-I75 WeakPolarHBondContact O-CB 3.36Å; I71-I75 WeakPolarHBondContact O-CD1 3.42Å; I71-I75 WeakPolarHBondContact O-CG1 3.18Å; I71-I75 PolarHBondContact O-N 2.95Å |
| 72 | F | 70.9 | Confident | 79.1 | Confident | 182 Ų | 182 | 80.3 Ų | 80.3 | 80% | 0.798 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -64.8 | -62.9 | -176 | -88.6 | -90.1 | 0 | 0 | 0 | 116.2 | K70 L76 | K70-F72 PolarHBondContact O-N 2.91Å; F72-L76 WeakPolarHBondContact O-CB 3Å; F72-L76 PolarHBondContact O-N 3.06Å |
| 73 | P | 85.5 | Confident | 79.7 | Confident | 81 Ų | 81 | 77.2 Ų | 77.2 | 53% | 0.526 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.3 | -43 | -177.4 | 21.2 | -34.7 | 0 | 0 | 0 | 113.3 | K70 L76 L77 | K70-P73 HydrophobicContact CB-CG 3.93Å; K70-P73 WeakPolarHBondContact O-CD 3.4Å; K70-P73 WeakPolarHBondContact O-CG 3.29Å; P73-L76 PolarHBondContact O-N 3.03Å; P73-L77 WeakPolarHBondContact O-CB 3.5Å; P73-L77 PolarHBondContact O-N 3.5Å |
| 74 | E | 88.1 | Confident | 80.2 | Confident | 19 Ų | 19 | 77.7 Ų | 77.7 | 9% | 0.089 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -70.4 | -44.2 | -172 | -164.3 | 80.7 | 139.8 | 0 | 0 | 112.2 | L52 F55 L76 L77 C78 | L52-E74 HydrophobicContact CD2-CG 4.4Å; F55-E74 VanDerWaalsContact C-OE1 3.3Å; F55-E74 HydrophobicContact CB-CG 3.96Å; F55-E74 WeakPolarHBondContact CB-OE1 3.39Å; F55-E74 VanDerWaalsContact CD1-OE1 3.27Å; F55-E74 WeakPolarHBondContact CD1-OE1 3.39Å; F55-E74 HydrophobicContact CG-CG 4.5Å; F55-E74 WeakPolarHBondContact CG-OE1 3.2Å; E74-L76 VanDerWaalsContact C-N 3.35Å; E74-L77 PolarHBondContact O-N 3.3Å; E74-C78 WeakPolarHBondContact O-CB 3.41Å; E74-C78 PolarHBondContact O-N 3.46Å; E74-C78 PolarHBondContact O-SG 3.03Å |
| 75 | I | 91.7 | Very high | 81.1 | Confident | 25 Ų | 25 | 76.3 Ų | 76.3 | 13% | 0.128 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64.4 | -43.5 | 176.6 | -72.9 | 165 | 0 | 0 | 0 | 110.7 | F48 L52 I71 L77 C78 L79 L105 | F48-I75 HydrophobicContact CE2-CG2 4.16Å; F48-I75 HydrophobicContact CZ-CG2 4.06Å; L52-I75 HydrophobicContact CD1-CG1 4.29Å; L52-I75 HydrophobicContact CD2-CB 4.46Å; L52-I75 HydrophobicContact CD2-CG1 3.71Å; I71-I75 HydrophobicContact CB-CD1 4Å; I71-I75 HydrophobicContact CG1-CD1 4.45Å; I71-I75 HydrophobicContact CG2-CD1 3.26Å; I71-I75 WeakPolarHBondContact O-CB 3.36Å; I71-I75 WeakPolarHBondContact O-CD1 3.42Å; I71-I75 WeakPolarHBondContact O-CG1 3.18Å; I71-I75 PolarHBondContact O-N 2.95Å; I75-L77 VanDerWaalsContact C-N 3.31Å; I75-L77 PolarHBondContact O-N 2.89Å; I75-C78 PolarHBondContact O-N 3.31Å; I75-L79 WeakPolarHBondContact O-CB 3.24Å; I75-L79 PolarHBondContact O-N 2.92Å; I75-L105 HydrophobicContact CB-CD1 4.21Å; I75-L105 HydrophobicContact CD1-CD1 3.54Å; I75-L105 HydrophobicContact CD1-CG 4.39Å; I75-L105 HydrophobicContact CG1-CD1 3.97Å; I75-L105 HydrophobicContact CG2-CD1 3.25Å |
| 76 | L | 92.6 | Very high | 82.6 | Confident | 100 Ų | 100 | 66.9 Ų | 66.9 | 52% | 0.524 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62 | -44.2 | 179.6 | -176.6 | 61.4 | 0 | 0 | 0 | 110.5 | F72 P73 E74 L79 L80 | F72-L76 WeakPolarHBondContact O-CB 3Å; F72-L76 PolarHBondContact O-N 3.06Å; P73-L76 PolarHBondContact O-N 3.03Å; E74-L76 VanDerWaalsContact C-N 3.35Å; L76-L79 PolarHBondContact O-N 2.94Å; L76-L80 HydrophobicContact CD1-CD1 4.36Å; L76-L80 HydrophobicContact CD1-CG 4.3Å; L76-L80 HydrophobicContact CG-CD1 4.18Å; L76-L80 WeakPolarHBondContact O-CB 3.09Å; L76-L80 VanDerWaalsContact O-CG 3.24Å; L76-L80 WeakPolarHBondContact O-CG 3.33Å; L76-L80 PolarHBondContact O-N 2.96Å |
| 77 | L | 92.8 | Very high | 84.2 | Confident | 91 Ų | 91 | 65.4 Ų | 65.4 | 48% | 0.476 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.3 | -50.3 | 176.9 | -175.6 | 68.9 | 0 | 0 | 0 | 111.7 | F55 P73 E74 I75 L79 L80 L81 | F55-L77 HydrophobicContact CE1-CD2 4.08Å; F55-L77 HydrophobicContact CZ-CD2 4.03Å; P73-L77 WeakPolarHBondContact O-CB 3.5Å; P73-L77 PolarHBondContact O-N 3.5Å; E74-L77 PolarHBondContact O-N 3.3Å; I75-L77 VanDerWaalsContact C-N 3.31Å; I75-L77 PolarHBondContact O-N 2.89Å; L77-L79 VanDerWaalsContact C-N 3.33Å; L77-L79 PolarHBondContact O-N 3.35Å; L77-L80 PolarHBondContact O-N 3.19Å; L77-L81 WeakPolarHBondContact O-CB 3.34Å; L77-L81 PolarHBondContact O-N 3.43Å |
| 78 | C | 94.4 | Very high | 86 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64 | -38.3 | 179.2 | -69.3 | 0 | 0 | 0 | 0 | 112.2 | F48 L52 F55 E74 I75 L81 A82 | F48-C78 HydrophobicContact CD2-CB 3.86Å; F48-C78 HydrophobicContact CE2-CB 4.02Å; L52-C78 HydrophobicContact CD2-CB 3.95Å; L52-C78 HydrophobicContact CG-CB 3.92Å; F55-C78 WeakPolarHBondContact CD2-SG 3.36Å; E74-C78 WeakPolarHBondContact O-CB 3.41Å; E74-C78 PolarHBondContact O-N 3.46Å; E74-C78 PolarHBondContact O-SG 3.03Å; I75-C78 PolarHBondContact O-N 3.31Å; C78-L81 PolarHBondContact O-N 3.17Å; C78-A82 WeakPolarHBondContact O-CB 3.41Å; C78-A82 PolarHBondContact O-N 3.44Å |
| 79 | L | 95.1 | Very high | 87.7 | Confident | 15 Ų | 15 | 59.9 Ų | 59.9 | 8% | 0.079 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66 | -47.1 | 177.9 | -176.9 | 68.1 | 0 | 0 | 0 | 110.3 | F48 I75 L76 L77 L81 A82 L83 F98 M102 | F48-L79 HydrophobicContact CD2-CB 4.17Å; F48-L79 HydrophobicContact CD2-CD1 4.38Å; F48-L79 HydrophobicContact CE2-CB 3.92Å; F48-L79 HydrophobicContact CE2-CD1 4.38Å; I75-L79 WeakPolarHBondContact O-CB 3.24Å; I75-L79 PolarHBondContact O-N 2.92Å; L76-L79 PolarHBondContact O-N 2.94Å; L77-L79 VanDerWaalsContact C-N 3.33Å; L77-L79 PolarHBondContact O-N 3.35Å; L79-L81 VanDerWaalsContact C-N 3.3Å; L79-L81 PolarHBondContact O-N 2.88Å; L79-A82 PolarHBondContact O-N 2.88Å; L79-L83 HydrophobicContact CD1-CD1 4.38Å; L79-L83 HydrophobicContact CD1-CG 4.3Å; L79-L83 HydrophobicContact CG-CD1 3.96Å; L79-L83 HydrophobicContact CG-CG 4.27Å; L79-L83 WeakPolarHBondContact O-CB 3.19Å; L79-L83 WeakPolarHBondContact O-CG 3.39Å; L79-L83 PolarHBondContact O-N 2.94Å; L79-F98 HydrophobicContact CD1-CD2 4.4Å; L79-F98 HydrophobicContact CD2-CD2 4.27Å; L79-F98 HydrophobicContact CD2-CE2 4.1Å; L79-M102 HydrophobicContact CD1-CE 4.22Å; L79-M102 HydrophobicContact CD2-CE 3.65Å |
| 80 | L | 95.8 | Very high | 89.6 | Confident | 103 Ų | 103 | 62 Ų | 62 | 54% | 0.539 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.7 | -41.9 | 176.5 | -72 | 175.2 | 0 | 0 | 0 | 111.7 | L76 L77 L83 F84 | L76-L80 HydrophobicContact CD1-CD1 4.36Å; L76-L80 HydrophobicContact CD1-CG 4.3Å; L76-L80 HydrophobicContact CG-CD1 4.18Å; L76-L80 WeakPolarHBondContact O-CB 3.09Å; L76-L80 VanDerWaalsContact O-CG 3.24Å; L76-L80 WeakPolarHBondContact O-CG 3.33Å; L76-L80 PolarHBondContact O-N 2.96Å; L77-L80 PolarHBondContact O-N 3.19Å; L80-L83 PolarHBondContact O-N 3.45Å; L80-F84 VanDerWaalsContact O-CB 3.26Å; L80-F84 WeakPolarHBondContact O-CB 3.43Å; L80-F84 PolarHBondContact O-N 3.49Å |
| 81 | L | 94.9 | Very high | 91.2 | Very high | 84 Ų | 84 | 64.2 Ų | 64.2 | 44% | 0.44 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.1 | -48.4 | 174.7 | -179.1 | 70.9 | 0 | 0 | 0 | 111.7 | L77 C78 L79 F84 A85 | L77-L81 WeakPolarHBondContact O-CB 3.34Å; L77-L81 PolarHBondContact O-N 3.43Å; C78-L81 PolarHBondContact O-N 3.17Å; L79-L81 VanDerWaalsContact C-N 3.3Å; L79-L81 PolarHBondContact O-N 2.88Å; L81-F84 PolarHBondContact O-N 3.45Å; L81-A85 WeakPolarHBondContact O-CB 3.39Å; L81-A85 PolarHBondContact O-N 3.17Å |
| 82 | A | 96.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68.3 | -38.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | F48 C78 L79 A85 S86 | F48-A82 HydrophobicContact CB-CB 3.69Å; C78-A82 WeakPolarHBondContact O-CB 3.41Å; C78-A82 PolarHBondContact O-N 3.44Å; L79-A82 PolarHBondContact O-N 2.88Å; A82-A85 PolarHBondContact O-N 3.26Å; A82-S86 WeakPolarHBondContact O-CB 3.3Å; A82-S86 PolarHBondContact O-N 3.17Å; A82-S86 PolarHBondContact O-OG 3.38Å |
| 83 | L | 96.9 | Very high | 93.8 | Very high | 31 Ų | 31 | 54.7 Ų | 54.7 | 16% | 0.162 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.2 | -42.2 | 174.8 | -69.1 | 177.3 | 0 | 0 | 0 | 111.1 | L79 L80 S86 G87 V94 C97 F98 | L79-L83 HydrophobicContact CD1-CD1 4.38Å; L79-L83 HydrophobicContact CD1-CG 4.3Å; L79-L83 HydrophobicContact CG-CD1 3.96Å; L79-L83 HydrophobicContact CG-CG 4.27Å; L79-L83 WeakPolarHBondContact O-CB 3.19Å; L79-L83 WeakPolarHBondContact O-CG 3.39Å; L79-L83 PolarHBondContact O-N 2.94Å; L80-L83 PolarHBondContact O-N 3.45Å; L83-S86 PolarHBondContact O-N 3.02Å; L83-G87 PolarHBondContact O-N 3.1Å; L83-V94 HydrophobicContact CB-CG1 4.33Å; L83-V94 HydrophobicContact CD2-CG1 3.9Å; L83-V94 WeakPolarHBondContact CD2-O 3.33Å; L83-C97 HydrophobicContact CD2-CB 4.28Å; L83-F98 HydrophobicContact CD1-CD2 4.33Å; L83-F98 HydrophobicContact CD2-CB 3.82Å; L83-F98 HydrophobicContact CD2-CD2 4.48Å |
| 84 | F | 95.5 | Very high | 94.3 | Very high | 139 Ų | 139 | 52.9 Ų | 52.9 | 61% | 0.61 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -61.2 | -49.2 | 174.5 | -177 | -104.6 | 0 | 0 | 0 | 110.9 | L80 L81 S86 G87 L88 | L80-F84 VanDerWaalsContact O-CB 3.26Å; L80-F84 WeakPolarHBondContact O-CB 3.43Å; L80-F84 PolarHBondContact O-N 3.49Å; L81-F84 PolarHBondContact O-N 3.45Å; F84-S86 VanDerWaalsContact C-N 3.31Å; F84-S86 PolarHBondContact O-N 3.48Å; F84-G87 PolarHBondContact O-N 2.93Å; F84-G87 VanDerWaalsContact O-N 3.13Å; F84-L88 HydrophobicContact CD1-CD1 4.05Å; F84-L88 HydrophobicContact CE1-CD1 3.7Å; F84-L88 HydrophobicContact CE1-CG 4.39Å; F84-L88 HydrophobicContact CZ-CD1 4.19Å; F84-L88 HydrophobicContact CZ-CD2 4.23Å; F84-L88 HydrophobicContact CZ-CG 4.48Å; F84-L88 WeakPolarHBondContact O-CG 3.45Å; F84-L88 PolarHBondContact O-N 2.82Å; F84-L88 VanDerWaalsContact O-N 3.15Å |
| 85 | A | 95.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56.3 | -43.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F20 M23 L47 L81 A82 | F20-A85 HydrophobicContact CD2-CB 3.59Å; F20-A85 HydrophobicContact CE2-CB 3.63Å; M23-A85 HydrophobicContact CE-CB 4Å; L47-A85 HydrophobicContact CD1-CB 3.81Å; L81-A85 WeakPolarHBondContact O-CB 3.39Å; L81-A85 PolarHBondContact O-N 3.17Å; A82-A85 PolarHBondContact O-N 3.26Å |
| 86 | S | 96.2 | Very high | 95 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -70.3 | -34.9 | 178.5 | -54.3 | 0 | 0 | 0 | 0 | 112.2 | G44 A82 L83 F84 L88 I89 H90 C93 C97 | G44-S86 WeakPolarHBondContact CA-OG 3.32Å; A82-S86 WeakPolarHBondContact O-CB 3.3Å; A82-S86 PolarHBondContact O-N 3.17Å; A82-S86 PolarHBondContact O-OG 3.38Å; L83-S86 PolarHBondContact O-N 3.02Å; F84-S86 VanDerWaalsContact C-N 3.31Å; F84-S86 PolarHBondContact O-N 3.48Å; S86-L88 VanDerWaalsContact C-N 3.28Å; S86-L88 PolarHBondContact O-N 2.9Å; S86-I89 WeakPolarHBondContact O-CB 3.02Å; S86-I89 PolarHBondContact O-N 2.75Å; S86-I89 VanDerWaalsContact O-N 3.12Å; S86-H90 PolarHBondContact O-N 3.09Å; S86-C93 WeakPolarHBondContact O-CB 3.01Å; S86-C97 WeakPolarHBondContact OG-CB 3.26Å; S86-C97 PolarHBondContact OG-SG 2.93Å; S86-C97 VanDerWaalsContact OG-SG 3.37Å |
| 87 | G | 94.4 | Very high | 95.2 | Very high | 35 Ų | 35 | 50.8 Ų | 50.8 | 36% | 0.361 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -68.7 | -24.4 | 179 | 0 | 0 | 0 | 0 | 0 | 114.2 | L83 F84 I89 | L83-G87 PolarHBondContact O-N 3.1Å; F84-G87 PolarHBondContact O-N 2.93Å; F84-G87 VanDerWaalsContact O-N 3.13Å; G87-I89 PolarHBondContact O-N 3.11Å |
| 88 | L | 93.9 | Very high | 95.4 | Very high | 87 Ų | 87 | 50.9 Ų | 50.9 | 46% | 0.455 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -19.6 | 172.3 | -66.1 | 170.9 | 0 | 0 | 0 | 112.6 | Q24 F84 S86 | Q24-L88 VanDerWaalsContact NE2-CB 3.29Å; F84-L88 HydrophobicContact CD1-CD1 4.05Å; F84-L88 HydrophobicContact CE1-CD1 3.7Å; F84-L88 HydrophobicContact CE1-CG 4.39Å; F84-L88 HydrophobicContact CZ-CD1 4.19Å; F84-L88 HydrophobicContact CZ-CD2 4.23Å; F84-L88 HydrophobicContact CZ-CG 4.48Å; F84-L88 WeakPolarHBondContact O-CG 3.45Å; F84-L88 PolarHBondContact O-N 2.82Å; F84-L88 VanDerWaalsContact O-N 3.15Å; S86-L88 VanDerWaalsContact C-N 3.28Å; S86-L88 PolarHBondContact O-N 2.9Å |
| 89 | I | 93.1 | Very high | 95.6 | Very high | 16 Ų | 16 | 55.8 Ų | 55.8 | 8% | 0.082 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -61.7 | 176.7 | -53.4 | 167.5 | 0 | 0 | 0 | 110 | M23 L30 S86 G87 | M23-I89 HydrophobicContact CB-CD1 3.82Å; M23-I89 HydrophobicContact CG-CD1 4.18Å; M23-I89 HydrophobicContact SD-CD1 4.01Å; L30-I89 HydrophobicContact CB-CG2 3.62Å; L30-I89 HydrophobicContact CD1-CD1 3.93Å; L30-I89 HydrophobicContact CD1-CG2 4.44Å; S86-I89 WeakPolarHBondContact O-CB 3.02Å; S86-I89 PolarHBondContact O-N 2.75Å; S86-I89 VanDerWaalsContact O-N 3.12Å; G87-I89 PolarHBondContact O-N 3.11Å |
| 90 | H | 92.8 | Very high | 95.7 | Very high | 62 Ų | 62 | 58.4 Ų | 58.4 | 29% | 0.287 | 29% | 0.294 | S | S | . | . | trans | -163.3 | 148.9 | -178.8 | -167.4 | -114.5 | 0 | 0 | 0 | 110.9 | A31 T37 S86 V92 C93 | A31-H90 HydrophobicContact CB-CB 4.3Å; T37-H90 HydrophobicContact CG2-CB 4.3Å; S86-H90 PolarHBondContact O-N 3.09Å; H90-V92 VanDerWaalsContact CE1-CG2 3.47Å; H90-V92 WeakPolarHBondContact CE1-CG2 3.49Å; H90-V92 WeakPolarHBondContact ND1-CB 3.36Å; H90-V92 WeakPolarHBondContact ND1-CG2 3.3Å; H90-V92 PolarHBondContact ND1-N 2.98Å; H90-V92 PolarHBondContact O-N 3.17Å; H90-C93 VanDerWaalsContact O-CB 3.25Å; H90-C93 WeakPolarHBondContact O-CB 3.42Å; H90-C93 PolarHBondContact O-N 2.85Å | ||
| 91 | R | 94.5 | Very high | 95.7 | Very high | 204 Ų | 204 | 53.5 Ų | 53.5 | 77% | 0.77 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -59.8 | -29.9 | 178.5 | 57.4 | -166.5 | 179.3 | 170.3 | 3.3 | 114.4 | C93 V94 | R91-C93 VanDerWaalsContact C-N 3.34Å; R91-V94 WeakPolarHBondContact O-CB 3.49Å; R91-V94 PolarHBondContact O-N 3.37Å |
| 92 | V | 94.6 | Very high | 95.7 | Very high | 57 Ų | 57 | 52.8 Ų | 52.8 | 35% | 0.345 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -73.2 | -27.6 | 174.8 | -179.9 | 0 | 0 | 0 | 0 | 111.7 | H90 V94 T95 T96 | H90-V92 VanDerWaalsContact CE1-CG2 3.47Å; H90-V92 WeakPolarHBondContact CE1-CG2 3.49Å; H90-V92 WeakPolarHBondContact ND1-CB 3.36Å; H90-V92 WeakPolarHBondContact ND1-CG2 3.3Å; H90-V92 PolarHBondContact ND1-N 2.98Å; H90-V92 PolarHBondContact O-N 3.17Å; V92-V94 PolarHBondContact O-N 3.39Å; V92-T95 PolarHBondContact O-N 3.44Å; V92-T95 PolarHBondContact O-OG1 3.46Å; V92-T96 HydrophobicContact CG1-CG2 4.4Å; V92-T96 WeakPolarHBondContact O-CG2 3.48Å; V92-T96 PolarHBondContact O-N 2.77Å; V92-T96 PolarHBondContact O-OG1 2.85Å |
| 93 | C | 95 | Very high | 95.7 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.6 | -31.7 | 174.4 | -60.5 | 0 | 0 | 0 | 0 | 111.1 | T37 S86 H90 R91 T96 C97 | T37-C93 PolarHBondContact O-SG 3.1Å; S86-C93 WeakPolarHBondContact O-CB 3.01Å; H90-C93 VanDerWaalsContact O-CB 3.25Å; H90-C93 WeakPolarHBondContact O-CB 3.42Å; H90-C93 PolarHBondContact O-N 2.85Å; R91-C93 VanDerWaalsContact C-N 3.34Å; C93-T96 VanDerWaalsContact CA-OG1 3.3Å; C93-T96 WeakPolarHBondContact CA-OG1 3.46Å; C93-T96 PolarHBondContact O-OG1 3.49Å; C93-T96 VanDerWaalsContact O-OG1 3.11Å; C93-C97 WeakPolarHBondContact O-CB 3.43Å; C93-C97 PolarHBondContact O-N 2.95Å |
| 94 | V | 97.1 | Very high | 95.5 | Very high | 43 Ų | 43 | 55.7 Ų | 55.7 | 26% | 0.261 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.8 | -49.1 | 177.6 | -176.5 | 0 | 0 | 0 | 0 | 111 | L83 R91 V92 C97 F98 | L83-V94 HydrophobicContact CB-CG1 4.33Å; L83-V94 HydrophobicContact CD2-CG1 3.9Å; L83-V94 WeakPolarHBondContact CD2-O 3.33Å; R91-V94 WeakPolarHBondContact O-CB 3.49Å; R91-V94 PolarHBondContact O-N 3.37Å; V92-V94 PolarHBondContact O-N 3.39Å; V94-C97 PolarHBondContact O-N 3.47Å; V94-F98 WeakPolarHBondContact O-CB 3.39Å; V94-F98 PolarHBondContact O-N 3.41Å |
| 95 | T | 96.8 | Very high | 95.4 | Very high | 81 Ų | 81 | 50.5 Ų | 50.5 | 50% | 0.497 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -68.5 | -42 | -176.9 | 55.9 | 0 | 0 | 0 | 0 | 111.5 | V92 F98 I99 | V92-T95 PolarHBondContact O-N 3.44Å; V92-T95 PolarHBondContact O-OG1 3.46Å; T95-F98 WeakPolarHBondContact O-CB 3.42Å; T95-F98 PolarHBondContact O-N 2.9Å; T95-I99 WeakPolarHBondContact O-CG1 3.31Å; T95-I99 PolarHBondContact O-N 2.88Å; T95-I99 VanDerWaalsContact O-N 3.1Å |
| 96 | T | 96.8 | Very high | 95.2 | Very high | 18 Ų | 18 | 57.1 Ų | 57.1 | 11% | 0.11 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.3 | -42.2 | 176.1 | 49.5 | 0 | 0 | 0 | 0 | 111.6 | I38 G41 V92 C93 F98 I99 F100 | I38-T96 HydrophobicContact CG1-CG2 4.23Å; G41-T96 WeakPolarHBondContact CA-OG1 3.29Å; V92-T96 HydrophobicContact CG1-CG2 4.4Å; V92-T96 WeakPolarHBondContact O-CG2 3.48Å; V92-T96 PolarHBondContact O-N 2.77Å; V92-T96 PolarHBondContact O-OG1 2.85Å; C93-T96 VanDerWaalsContact CA-OG1 3.3Å; C93-T96 WeakPolarHBondContact CA-OG1 3.46Å; C93-T96 PolarHBondContact O-OG1 3.49Å; C93-T96 VanDerWaalsContact O-OG1 3.11Å; T96-F98 VanDerWaalsContact C-N 3.34Å; T96-F98 PolarHBondContact O-N 2.84Å; T96-I99 PolarHBondContact O-N 3.39Å; T96-F100 WeakPolarHBondContact O-CD2 3.36Å; T96-F100 PolarHBondContact O-N 3.33Å |
| 97 | C | 97.5 | Very high | 95 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.5 | -45 | 172.3 | 176.9 | 0 | 0 | 0 | 0 | 112 | G41 L83 S86 C93 V94 I99 F100 S101 | G41-C97 WeakPolarHBondContact O-CA 3.41Å; L83-C97 HydrophobicContact CD2-CB 4.28Å; S86-C97 WeakPolarHBondContact OG-CB 3.26Å; S86-C97 PolarHBondContact OG-SG 2.93Å; S86-C97 VanDerWaalsContact OG-SG 3.37Å; C93-C97 WeakPolarHBondContact O-CB 3.43Å; C93-C97 PolarHBondContact O-N 2.95Å; V94-C97 PolarHBondContact O-N 3.47Å; C97-I99 PolarHBondContact O-N 2.91Å; C97-F100 PolarHBondContact O-N 3.37Å; C97-S101 WeakPolarHBondContact O-CB 3.42Å; C97-S101 PolarHBondContact O-N 3.39Å; C97-S101 PolarHBondContact O-OG 3.21Å |
| 98 | F | 97.4 | Very high | 94.7 | Very high | 93 Ų | 93 | 64.9 Ų | 64.9 | 41% | 0.408 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.6 | -49.6 | 176.9 | -178.2 | -100.9 | 0 | 0 | 0 | 111.9 | L79 L83 V94 T95 T96 S101 M102 | L79-F98 HydrophobicContact CD1-CD2 4.4Å; L79-F98 HydrophobicContact CD2-CD2 4.27Å; L79-F98 HydrophobicContact CD2-CE2 4.1Å; L83-F98 HydrophobicContact CD1-CD2 4.33Å; L83-F98 HydrophobicContact CD2-CB 3.82Å; L83-F98 HydrophobicContact CD2-CD2 4.48Å; V94-F98 WeakPolarHBondContact O-CB 3.39Å; V94-F98 PolarHBondContact O-N 3.41Å; T95-F98 WeakPolarHBondContact O-CB 3.42Å; T95-F98 PolarHBondContact O-N 2.9Å; T96-F98 VanDerWaalsContact C-N 3.34Å; T96-F98 PolarHBondContact O-N 2.84Å; F98-S101 PolarHBondContact O-N 3.01Å; F98-M102 HydrophobicContact CD1-CG 4.36Å; F98-M102 HydrophobicContact CD2-CE 4.23Å; F98-M102 HydrophobicContact CE1-CG 3.98Å; F98-M102 HydrophobicContact CE2-CE 3.69Å; F98-M102 HydrophobicContact CE2-CG 4.35Å; F98-M102 HydrophobicContact CE2-SD 4.46Å; F98-M102 HydrophobicContact CZ-CE 4.05Å; F98-M102 HydrophobicContact CZ-CG 3.98Å; F98-M102 HydrophobicContact CZ-SD 4.23Å; F98-M102 WeakPolarHBondContact O-CG 3.35Å; F98-M102 PolarHBondContact O-N 3.15Å |
| 99 | I | 97.3 | Very high | 94.5 | Very high | 103 Ų | 103 | 63.1 Ų | 63.1 | 53% | 0.528 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.8 | -50.7 | -179.4 | -66.5 | 166 | 0 | 0 | 0 | 110.7 | T95 T96 C97 S101 M102 V103 | T95-I99 WeakPolarHBondContact O-CG1 3.31Å; T95-I99 PolarHBondContact O-N 2.88Å; T95-I99 VanDerWaalsContact O-N 3.1Å; T96-I99 PolarHBondContact O-N 3.39Å; C97-I99 PolarHBondContact O-N 2.91Å; I99-S101 VanDerWaalsContact C-N 3.3Å; I99-S101 PolarHBondContact O-N 3.29Å; I99-M102 PolarHBondContact O-N 3.47Å; I99-V103 WeakPolarHBondContact O-CG2 3.4Å; I99-V103 PolarHBondContact O-N 3.07Å; I99-V103 VanDerWaalsContact O-N 3.1Å |
| 100 | F | 96.9 | Very high | 94.2 | Very high | 71 Ų | 71 | 67.8 Ų | 67.8 | 31% | 0.311 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.6 | -35 | 179.3 | -72.1 | -59 | 0 | 0 | 0 | 112.4 | I38 L42 S45 T96 C97 V103 G104 | I38-F100 HydrophobicContact CG2-CE2 4.01Å; I38-F100 HydrophobicContact CG2-CZ 4.19Å; L42-F100 HydrophobicContact CB-CD2 4.29Å; L42-F100 HydrophobicContact CB-CE2 4.28Å; L42-F100 HydrophobicContact CD1-CD1 4.31Å; L42-F100 HydrophobicContact CD1-CG 4.3Å; S45-F100 VanDerWaalsContact CB-CB 3.47Å; S45-F100 WeakPolarHBondContact OG-CB 3.32Å; T96-F100 WeakPolarHBondContact O-CD2 3.36Å; T96-F100 PolarHBondContact O-N 3.33Å; C97-F100 PolarHBondContact O-N 3.37Å; F100-V103 PolarHBondContact O-N 3.12Å; F100-G104 PolarHBondContact O-N 3.34Å |
| 101 | S | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.5 | -39.4 | 175.9 | -60.7 | 0 | 0 | 0 | 0 | 112.1 | C97 F98 I99 G104 L105 | C97-S101 WeakPolarHBondContact O-CB 3.42Å; C97-S101 PolarHBondContact O-N 3.39Å; C97-S101 PolarHBondContact O-OG 3.21Å; F98-S101 PolarHBondContact O-N 3.01Å; I99-S101 VanDerWaalsContact C-N 3.3Å; I99-S101 PolarHBondContact O-N 3.29Å; S101-G104 PolarHBondContact O-N 2.68Å; S101-L105 VanDerWaalsContact O-CB 3.22Å; S101-L105 WeakPolarHBondContact O-CB 3.32Å; S101-L105 PolarHBondContact O-N 3.47Å |
| 102 | M | 95.4 | Very high | 93.3 | Very high | 68 Ų | 68 | 61.3 Ų | 61.3 | 34% | 0.335 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 174 | -70.6 | -62.5 | 122 | 0 | 0 | 111.8 | L79 F98 I99 L105 Y106 | L79-M102 HydrophobicContact CD1-CE 4.22Å; L79-M102 HydrophobicContact CD2-CE 3.65Å; F98-M102 HydrophobicContact CD1-CG 4.36Å; F98-M102 HydrophobicContact CD2-CE 4.23Å; F98-M102 HydrophobicContact CE1-CG 3.98Å; F98-M102 HydrophobicContact CE2-CE 3.69Å; F98-M102 HydrophobicContact CE2-CG 4.35Å; F98-M102 HydrophobicContact CE2-SD 4.46Å; F98-M102 HydrophobicContact CZ-CE 4.05Å; F98-M102 HydrophobicContact CZ-CG 3.98Å; F98-M102 HydrophobicContact CZ-SD 4.23Å; F98-M102 WeakPolarHBondContact O-CG 3.35Å; F98-M102 PolarHBondContact O-N 3.15Å; I99-M102 PolarHBondContact O-N 3.47Å; M102-L105 PolarHBondContact O-N 3.1Å; M102-Y106 PolarHBondContact O-N 3.33Å |
| 103 | V | 95.8 | Very high | 92.6 | Very high | 73 Ų | 73 | 60.6 Ų | 60.6 | 44% | 0.442 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.9 | -47.6 | 174.2 | 175.2 | 0 | 0 | 0 | 0 | 110.6 | I99 F100 L105 Y106 Y107 | I99-V103 WeakPolarHBondContact O-CG2 3.4Å; I99-V103 PolarHBondContact O-N 3.07Å; I99-V103 VanDerWaalsContact O-N 3.1Å; F100-V103 PolarHBondContact O-N 3.12Å; V103-L105 VanDerWaalsContact C-N 3.34Å; V103-L105 PolarHBondContact O-N 2.79Å; V103-Y106 WeakPolarHBondContact O-CB 3.38Å; V103-Y106 PolarHBondContact O-N 2.98Å; V103-Y107 HydrophobicContact CG1-CD2 3.95Å; V103-Y107 HydrophobicContact CG1-CE2 3.69Å; V103-Y107 WeakPolarHBondContact O-CD2 3.42Å; V103-Y107 PolarHBondContact O-N 3.43Å |
| 104 | G | 93.2 | Very high | 91.9 | Very high | 19 Ų | 19 | 64.6 Ų | 64.6 | 20% | 0.196 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.2 | -44.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F100 S101 Y106 Y107 I108 | F100-G104 PolarHBondContact O-N 3.34Å; S101-G104 PolarHBondContact O-N 2.68Å; G104-Y106 VanDerWaalsContact C-N 3.35Å; G104-Y106 PolarHBondContact O-N 3.35Å; G104-Y107 PolarHBondContact O-N 2.9Å; G104-I108 VanDerWaalsContact O-CG1 3.32Å; G104-I108 WeakPolarHBondContact O-CG1 3.38Å; G104-I108 PolarHBondContact O-N 2.96Å |
| 105 | L | 92.1 | Very high | 90.9 | Very high | 30 Ų | 30 | 67.9 Ų | 67.9 | 16% | 0.157 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.7 | -39.6 | 176.7 | -180 | 143 | 0 | 0 | 0 | 112.3 | F48 I75 S101 M102 V103 Y107 I108 N109 | F48-L105 HydrophobicContact CE1-CB 4.14Å; F48-L105 HydrophobicContact CZ-CB 4.34Å; F48-L105 HydrophobicContact CZ-CD1 3.99Å; I75-L105 HydrophobicContact CB-CD1 4.21Å; I75-L105 HydrophobicContact CD1-CD1 3.54Å; I75-L105 HydrophobicContact CD1-CG 4.39Å; I75-L105 HydrophobicContact CG1-CD1 3.97Å; I75-L105 HydrophobicContact CG2-CD1 3.25Å; S101-L105 VanDerWaalsContact O-CB 3.22Å; S101-L105 WeakPolarHBondContact O-CB 3.32Å; S101-L105 PolarHBondContact O-N 3.47Å; M102-L105 PolarHBondContact O-N 3.1Å; V103-L105 VanDerWaalsContact C-N 3.34Å; V103-L105 PolarHBondContact O-N 2.79Å; L105-Y107 VanDerWaalsContact C-N 3.33Å; L105-Y107 PolarHBondContact O-N 2.9Å; L105-I108 PolarHBondContact O-N 3.31Å; L105-N109 WeakPolarHBondContact CD2-ND2 3.39Å; L105-N109 VanDerWaalsContact O-CB 3.26Å; L105-N109 WeakPolarHBondContact O-CB 3.25Å; L105-N109 VanDerWaalsContact O-CG 3.32Å; L105-N109 PolarHBondContact O-N 3.12Å; L105-N109 PolarHBondContact O-ND2 3.02Å |
| 106 | Y | 92 | Very high | 89.6 | Confident | 139 Ų | 139 | 70.4 Ų | 70.4 | 55% | 0.545 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.2 | -46.1 | 174.1 | 171.5 | -95.7 | 0 | 0 | 0 | 111.4 | M102 V103 G104 N109 K110 | M102-Y106 PolarHBondContact O-N 3.33Å; V103-Y106 WeakPolarHBondContact O-CB 3.38Å; V103-Y106 PolarHBondContact O-N 2.98Å; G104-Y106 VanDerWaalsContact C-N 3.35Å; G104-Y106 PolarHBondContact O-N 3.35Å; Y106-N109 PolarHBondContact O-N 3.41Å; Y106-K110 HydrophobicContact CE1-CD 4.42Å; Y106-K110 WeakPolarHBondContact O-CB 3.47Å; Y106-K110 PolarHBondContact O-N 3.37Å |
| 107 | Y | 91.5 | Very high | 87.9 | Confident | 134 Ų | 134 | 76.5 Ų | 76.5 | 53% | 0.525 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.2 | -42.5 | 178.1 | -76 | -70.6 | 0 | 0 | 0 | 112.8 | V103 G104 L105 N109 K110 I111 | V103-Y107 HydrophobicContact CG1-CD2 3.95Å; V103-Y107 HydrophobicContact CG1-CE2 3.69Å; V103-Y107 WeakPolarHBondContact O-CD2 3.42Å; V103-Y107 PolarHBondContact O-N 3.43Å; G104-Y107 PolarHBondContact O-N 2.9Å; L105-Y107 VanDerWaalsContact C-N 3.33Å; L105-Y107 PolarHBondContact O-N 2.9Å; Y107-N109 VanDerWaalsContact C-N 3.32Å; Y107-N109 PolarHBondContact O-N 3.29Å; Y107-K110 PolarHBondContact O-N 3.39Å; Y107-I111 VanDerWaalsContact O-CG1 3.29Å; Y107-I111 WeakPolarHBondContact O-CG1 3.49Å; Y107-I111 PolarHBondContact O-N 3.13Å |
| 108 | I | 89.6 | Confident | 85.9 | Confident | 65 Ų | 65 | 80.7 Ų | 80.7 | 33% | 0.333 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.7 | -45.5 | 175.8 | -70 | 167.6 | 0 | 0 | 0 | 110.2 | V49 L52 G104 L105 K110 I111 S112 | V49-I108 HydrophobicContact CG1-CD1 4.23Å; V49-I108 HydrophobicContact CG2-CD1 4.08Å; L52-I108 HydrophobicContact CD1-CD1 4.41Å; G104-I108 VanDerWaalsContact O-CG1 3.32Å; G104-I108 WeakPolarHBondContact O-CG1 3.38Å; G104-I108 PolarHBondContact O-N 2.96Å; L105-I108 PolarHBondContact O-N 3.31Å; I108-K110 PolarHBondContact O-N 3.32Å; I108-I111 PolarHBondContact O-N 2.82Å; I108-S112 WeakPolarHBondContact O-CB 3.38Å; I108-S112 PolarHBondContact O-N 3.39Å |
| 109 | N | 87.9 | Confident | 83.6 | Confident | 50 Ų | 50 | 79.4 Ų | 79.4 | 27% | 0.267 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.6 | -39.2 | 178 | -78.7 | -17.8 | 0 | 0 | 0 | 112.4 | L105 Y106 Y107 S112 S113 | L105-N109 WeakPolarHBondContact CD2-ND2 3.39Å; L105-N109 VanDerWaalsContact O-CB 3.26Å; L105-N109 WeakPolarHBondContact O-CB 3.25Å; L105-N109 VanDerWaalsContact O-CG 3.32Å; L105-N109 PolarHBondContact O-N 3.12Å; L105-N109 PolarHBondContact O-ND2 3.02Å; Y106-N109 PolarHBondContact O-N 3.41Å; Y107-N109 VanDerWaalsContact C-N 3.32Å; Y107-N109 PolarHBondContact O-N 3.29Å; N109-S112 PolarHBondContact O-N 3.15Å; N109-S113 WeakPolarHBondContact O-CB 3.2Å; N109-S113 PolarHBondContact O-N 3.33Å; N109-S113 PolarHBondContact O-OG 3.35Å |
| 110 | K | 87.6 | Confident | 81.1 | Confident | 114 Ų | 114 | 77.4 Ų | 77.4 | 50% | 0.496 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 176 | -173.4 | -178.5 | 177.5 | -173.8 | 0 | 111.6 | Y106 Y107 I108 S113 T114 | Y106-K110 HydrophobicContact CE1-CD 4.42Å; Y106-K110 WeakPolarHBondContact O-CB 3.47Å; Y106-K110 PolarHBondContact O-N 3.37Å; Y107-K110 PolarHBondContact O-N 3.39Å; I108-K110 PolarHBondContact O-N 3.32Å; K110-S113 PolarHBondContact O-OG 3.22Å; K110-T114 WeakPolarHBondContact O-CG2 3.31Å; K110-T114 PolarHBondContact O-N 3.15Å; K110-T114 PolarHBondContact O-OG1 3.07Å |
| 111 | I | 86.5 | Confident | 78.6 | Confident | 98 Ų | 98 | 79.1 Ų | 79.1 | 50% | 0.503 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66.3 | -45.7 | 176.1 | -66.8 | 164.4 | 0 | 0 | 0 | 109.7 | Y107 I108 S113 T114 L115 | Y107-I111 VanDerWaalsContact O-CG1 3.29Å; Y107-I111 WeakPolarHBondContact O-CG1 3.49Å; Y107-I111 PolarHBondContact O-N 3.13Å; I108-I111 PolarHBondContact O-N 2.82Å; I111-S113 PolarHBondContact O-N 3.48Å; I111-T114 PolarHBondContact O-N 3.38Å; I111-T114 PolarHBondContact O-OG1 3.03Å; I111-L115 HydrophobicContact CG2-CD1 3.61Å; I111-L115 HydrophobicContact CG2-CG 4.19Å; I111-L115 WeakPolarHBondContact O-CG 3.41Å; I111-L115 PolarHBondContact O-N 3.24Å |
| 112 | S | 82.4 | Confident | 76.1 | Confident | 31 Ų | 31 | 85.3 Ų | 85.3 | 22% | 0.217 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -57.2 | -46.3 | 177.3 | -178.3 | 0 | 0 | 0 | 0 | 111.9 | I108 N109 T114 L115 Y116 | I108-S112 WeakPolarHBondContact O-CB 3.38Å; I108-S112 PolarHBondContact O-N 3.39Å; N109-S112 PolarHBondContact O-N 3.15Å; S112-T114 VanDerWaalsContact C-N 3.35Å; S112-T114 PolarHBondContact O-N 3.26Å; S112-L115 PolarHBondContact O-N 3.08Å; S112-Y116 WeakPolarHBondContact O-CB 3.4Å; S112-Y116 VanDerWaalsContact O-CD2 3.27Å; S112-Y116 WeakPolarHBondContact O-CD2 3.13Å; S112-Y116 PolarHBondContact O-N 3.44Å; S112-Y116 WeakPolarHBondContact OG-CD2 3.4Å |
| 113 | S | 79.8 | Confident | 73.6 | Confident | 43 Ų | 43 | 89.5 Ų | 89.5 | 30% | 0.301 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 177.5 | 66.2 | 0 | 0 | 0 | 0 | 111.9 | N109 K110 I111 L115 Q117 | N109-S113 WeakPolarHBondContact O-CB 3.2Å; N109-S113 PolarHBondContact O-N 3.33Å; N109-S113 PolarHBondContact O-OG 3.35Å; K110-S113 PolarHBondContact O-OG 3.22Å; I111-S113 PolarHBondContact O-N 3.48Å; S113-L115 PolarHBondContact O-N 2.83Å; S113-Q117 WeakPolarHBondContact O-CA 3.36Å; S113-Q117 WeakPolarHBondContact O-CB 3.38Å; S113-Q117 VanDerWaalsContact O-CG 3.31Å; S113-Q117 WeakPolarHBondContact O-CG 3.38Å; S113-Q117 PolarHBondContact O-N 3.34Å |
| 114 | T | 80.8 | Confident | 70.9 | Confident | 84 Ų | 84 | 91.8 Ų | 91.8 | 52% | 0.515 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.1 | -38.5 | 177.3 | 58 | 0 | 0 | 0 | 0 | 113.3 | K110 I111 S112 A118 | K110-T114 WeakPolarHBondContact O-CG2 3.31Å; K110-T114 PolarHBondContact O-N 3.15Å; K110-T114 PolarHBondContact O-OG1 3.07Å; I111-T114 PolarHBondContact O-N 3.38Å; I111-T114 PolarHBondContact O-OG1 3.03Å; S112-T114 VanDerWaalsContact C-N 3.35Å; S112-T114 PolarHBondContact O-N 3.26Å; T114-A118 WeakPolarHBondContact O-CB 3.37Å |
| 115 | L | 75.1 | Confident | 68.5 | Low | 111 Ų | 111 | 96.4 Ų | 96.4 | 58% | 0.581 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -79.8 | -42.4 | -177.1 | -66.5 | 176.5 | 0 | 0 | 0 | 112.1 | I111 S112 S113 A119 | I111-L115 HydrophobicContact CG2-CD1 3.61Å; I111-L115 HydrophobicContact CG2-CG 4.19Å; I111-L115 WeakPolarHBondContact O-CG 3.41Å; I111-L115 PolarHBondContact O-N 3.24Å; S112-L115 PolarHBondContact O-N 3.08Å; S113-L115 PolarHBondContact O-N 2.83Å; L115-A119 WeakPolarHBondContact O-CB 3.29Å; L115-A119 PolarHBondContact O-N 2.97Å |
| 116 | Y | 68.7 | Low | 66.2 | Low | 135 Ų | 135 | 99.1 Ų | 99.1 | 53% | 0.529 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -92.2 | -29.9 | -174.4 | -65.7 | -73.7 | 0 | 0 | 0 | 113.7 | S112 A119 A120 | S112-Y116 WeakPolarHBondContact O-CB 3.4Å; S112-Y116 VanDerWaalsContact O-CD2 3.27Å; S112-Y116 WeakPolarHBondContact O-CD2 3.13Å; S112-Y116 PolarHBondContact O-N 3.44Å; S112-Y116 WeakPolarHBondContact OG-CD2 3.4Å; Y116-A119 CarbonylContact O-C 3.15Å; Y116-A119 PolarHBondContact O-N 3.35Å; Y116-A120 PolarHBondContact O-N 2.63Å |
| 117 | Q | 62.3 | Low | 63.8 | Low | 145 Ų | 145 | 102.2 Ų | 102.2 | 68% | 0.678 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -76.6 | -31.8 | 172.9 | -59.4 | -177.5 | 18.2 | 0 | 0 | 111.9 | S113 A119 A120 | S113-Q117 WeakPolarHBondContact O-CA 3.36Å; S113-Q117 WeakPolarHBondContact O-CB 3.38Å; S113-Q117 VanDerWaalsContact O-CG 3.31Å; S113-Q117 WeakPolarHBondContact O-CG 3.38Å; S113-Q117 PolarHBondContact O-N 3.34Å; Q117-A119 PolarHBondContact O-N 2.9Å; Q117-A120 VanDerWaalsContact O-CB 3.26Å; Q117-A120 WeakPolarHBondContact O-CB 3.28Å; Q117-A120 PolarHBondContact O-N 3.47Å; Q117-A120 VanDerWaalsContact O-N 3.14Å |
| 118 | A | 54.7 | Low | 61.4 | Low | 88 Ų | 88 | 102 Ų | 102 | 73% | 0.727 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -25.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T114 A120 | T114-A118 WeakPolarHBondContact O-CB 3.37Å; A118-A120 VanDerWaalsContact C-N 3.33Å |
| 119 | A | 50 | Low | 59 | Low | 67 Ų | 67 | 105.2 Ų | 105.2 | 55% | 0.554 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | 1.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | L115 Y116 Q117 P121 | L115-A119 WeakPolarHBondContact O-CB 3.29Å; L115-A119 PolarHBondContact O-N 2.97Å; Y116-A119 CarbonylContact O-C 3.15Å; Y116-A119 PolarHBondContact O-N 3.35Å; Q117-A119 PolarHBondContact O-N 2.9Å; A119-P121 WeakPolarHBondContact O-CD 3.32Å |
| 120 | A | 43.4 | Very low | 56.6 | Low | 61 Ų | 61 | 106.1 Ų | 106.1 | 50% | 0.504 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -56.4 | 114.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | Y116 Q117 A118 V122 | Y116-A120 PolarHBondContact O-N 2.63Å; Q117-A120 VanDerWaalsContact O-CB 3.26Å; Q117-A120 WeakPolarHBondContact O-CB 3.28Å; Q117-A120 PolarHBondContact O-N 3.47Å; Q117-A120 VanDerWaalsContact O-N 3.14Å; A118-A120 VanDerWaalsContact C-N 3.33Å; A120-V122 PolarHBondContact O-N 3.05Å |
| 121 | P | 45.8 | Very low | 54.2 | Low | 107 Ų | 107 | 110.7 Ų | 110.7 | 70% | 0.695 | 65% | 0.654 | S | S | * | * | trans | -60 | 120.1 | 176.3 | 25 | -29 | 0 | 0 | 0 | 104.1 | A119 L123 | A119-P121 WeakPolarHBondContact O-CD 3.32Å; P121-L123 PolarHBondContact O-N 3.27Å | ||
| 122 | V | 44.3 | Very low | 51.9 | Low | 129 Ų | 129 | 111.4 Ų | 111.4 | 78% | 0.782 | 67% | 0.668 | S | S | * | * | trans | -48.1 | 107.9 | 158.1 | -151.6 | 0 | 0 | 0 | 0 | 102.5 | A120 T124 | A120-V122 PolarHBondContact O-N 3.05Å; V122-T124 PolarHBondContact O-N 3.44Å | ||
| 123 | L | 42.4 | Very low | 49.9 | Very low | 156 Ų | 156 | 119.1 Ų | 119.1 | 82% | 0.817 | 70% | 0.697 | S | S | * | * | trans | -60.2 | 88 | 168.5 | -78.5 | 163.2 | 0 | 0 | 0 | 102.8 | P121 P125 | P121-L123 PolarHBondContact O-N 3.27Å; L123-P125 VanDerWaalsContact C-N 3.31Å; L123-P125 WeakPolarHBondContact O-CD 3.27Å | ||
| 124 | T | 39.4 | Very low | 47.7 | Very low | 121 Ų | 121 | 126.8 Ų | 126.8 | 74% | 0.742 | 73% | 0.725 | S | S | * | * | trans | -56.2 | 109.2 | 161.8 | 45.3 | 0 | 0 | 0 | 0 | 102.5 | V122 A126 | V122-T124 PolarHBondContact O-N 3.44Å; T124-A126 PolarHBondContact O-N 3.11Å; T124-A126 VanDerWaalsContact O-N 3.08Å | ||
| 125 | P | 42 | Very low | 45.9 | Very low | 117 Ų | 117 | 134.4 Ų | 134.4 | 76% | 0.76 | 74% | 0.744 | S | S | * | * | trans | -58 | 127 | -168.7 | 21.9 | -30.3 | 0 | 0 | 0 | 106 | L123 K127 | L123-P125 VanDerWaalsContact C-N 3.31Å; L123-P125 WeakPolarHBondContact O-CD 3.27Å; P125-K127 PolarHBondContact O-N 3.5Å | ||
| 126 | A | 44.6 | Very low | 44.7 | Very low | 87 Ų | 87 | 140.4 Ų | 140.4 | 72% | 0.719 | 78% | 0.777 | S | S | * | * | trans | -44.7 | 114.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | T124 V128 | T124-A126 PolarHBondContact O-N 3.11Å; T124-A126 VanDerWaalsContact O-N 3.08Å; A126-V128 VanDerWaalsContact C-N 3.25Å; A126-V128 PolarHBondContact O-N 3.25Å | ||
| 127 | K | 41.6 | Very low | 43.5 | Very low | 203 Ų | 203 | 140.7 Ų | 140.7 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | trans | -56.6 | 102.9 | 172.5 | -172.1 | 176.8 | -176.7 | 178.2 | 0 | 105 | P125 T129 | P125-K127 PolarHBondContact O-N 3.5Å; K127-T129 PolarHBondContact O-N 3.28Å; K127-T129 VanDerWaalsContact O-N 3.13Å | ||
| 128 | V | 40 | Very low | 42.5 | Very low | 129 Ų | 129 | 140.4 Ų | 140.4 | 78% | 0.782 | 80% | 0.795 | S | S | * | * | trans | -50.7 | 121.7 | -175 | -176.2 | 0 | 0 | 0 | 0 | 106.6 | A126 G130 | A126-V128 VanDerWaalsContact C-N 3.25Å; A126-V128 PolarHBondContact O-N 3.25Å; V128-G130 PolarHBondContact O-N 3.43Å | ||
| 129 | T | 39 | Very low | 41.8 | Very low | 134 Ų | 134 | 143.3 Ų | 143.3 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | trans | -64 | 82.4 | 169.1 | 35 | 0 | 0 | 0 | 0 | 108 | K127 K131 | K127-T129 PolarHBondContact O-N 3.28Å; K127-T129 VanDerWaalsContact O-N 3.13Å; T129-K131 VanDerWaalsContact C-N 3.26Å; T129-K131 PolarHBondContact O-N 3.34Å | ||
| 130 | G | 38.1 | Very low | 41.3 | Very low | 69 Ų | 69 | 147.8 Ų | 147.8 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | trans | -67.7 | 85.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | V128 S132 | V128-G130 PolarHBondContact O-N 3.43Å; G130-S132 PolarHBondContact O-N 2.81Å; G130-S132 VanDerWaalsContact O-N 3.17Å | ||
| 131 | K | 37.4 | Very low | 41.2 | Very low | 210 Ų | 210 | 153.3 Ų | 153.3 | 91% | 0.913 | 83% | 0.833 | S | S | * | * | trans | -58 | 108.4 | 156.4 | -76 | 179.3 | 173.8 | 177.2 | 0 | 108.2 | T129 | T129-K131 VanDerWaalsContact C-N 3.26Å; T129-K131 PolarHBondContact O-N 3.34Å | ||
| 132 | S | 38.2 | Very low | 40.9 | Very low | 113 Ų | 113 | 156.3 Ų | 156.3 | 79% | 0.79 | 84% | 0.842 | S | S | * | * | trans | -132.9 | 87.6 | 160.7 | -165.7 | 0 | 0 | 0 | 0 | 107.1 | G130 | G130-S132 PolarHBondContact O-N 2.81Å; G130-S132 VanDerWaalsContact O-N 3.17Å | ||
| 133 | K | 39.9 | Very low | 40.6 | Very low | 192 Ų | 192 | 158.3 Ų | 158.3 | 84% | 0.835 | 85% | 0.846 | S | S | * | * | 70.2 | 90 | 93.7 | -164.1 | 176.2 | -176.6 | 178.9 | 0 | 113.1 | |||||
| 134 | K | 34.6 | Very low | 40.5 | Very low | 204 Ų | 204 | 158.5 Ų | 158.5 | 89% | 0.887 | 85% | 0.849 | S | S | * | * | trans | 25.5 | 112.3 | 130.4 | -150.4 | -174.8 | -167.3 | -170.3 | 0 | 115.9 | ||||
| 135 | R | 41.8 | Very low | 40.6 | Very low | 244 Ų | 244 | 161.6 Ų | 161.6 | 92% | 0.921 | 86% | 0.857 | S | S | * | * | trans | -150 | 121.6 | 146 | -150.3 | 166.8 | 82.3 | 178.1 | 6 | 110.2 | ||||
| 136 | N | 49.6 | Very low | 40.4 | Very low | 237 Ų | 237 | 165.6 Ų | 165.6 | 100% | 1.267 | 87% | 0.866 | S | S | * | * | trans | 10.5 | 0 | 168.8 | -86.5 | 9.6 | 0 | 0 | 0 | 118.4 |
Retrieved 136 of 136 residues in 496.4 ms
(Link to these results)