| 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 | 65.3 | Low | 89.6 | Confident | 215 Ų | 215 | 116.5 Ų | 116.5 | 100% | 1.059 | 63% | 0.625 | S | S | * | * | 0 | -61.4 | 0 | -72.2 | 173.7 | -151.3 | 0 | 0 | 110.7 | L3 G4 D5 | M1-L3 PolarHBondContact O-N 2.86Å; M1-L3 VanDerWaalsContact O-N 3.12Å; M1-G4 PolarHBondContact O-N 3.31Å; M1-G4 VanDerWaalsContact O-N 3.11Å; M1-D5 PolarHBondContact O-N 3.36Å | |||
| 2 | A | 79.9 | Confident | 90.3 | Very high | 74 Ų | 74 | 117.7 Ų | 117.7 | 61% | 0.612 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -49.8 | -41.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | G4 D5 C6 | A2-G4 VanDerWaalsContact C-N 3.34Å; A2-G4 PolarHBondContact O-N 2.93Å; A2-D5 PolarHBondContact O-N 3.1Å; A2-C6 PolarHBondContact O-N 3.34Å; A2-C6 VanDerWaalsContact O-N 3.11Å; A2-C6 PolarHBondContact O-SG 3.15Å; A2-C6 VanDerWaalsContact O-SG 3.38Å |
| 3 | L | 86.8 | Confident | 90.8 | Very high | 151 Ų | 151 | 117.1 Ų | 117.1 | 79% | 0.791 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -68.8 | -31.6 | -176.5 | -158.9 | 134.9 | 0 | 0 | 0 | 113.2 | M1 W7 | M1-L3 PolarHBondContact O-N 2.86Å; M1-L3 VanDerWaalsContact O-N 3.12Å; L3-W7 PolarHBondContact O-N 3.41Å; L3-W7 VanDerWaalsContact O-N 3.13Å |
| 4 | G | 91.4 | Very high | 91.1 | Very high | 47 Ų | 47 | 117.6 Ų | 117.6 | 49% | 0.485 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -70.8 | -37.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | M1 A2 W7 K8 | M1-G4 PolarHBondContact O-N 3.31Å; M1-G4 VanDerWaalsContact O-N 3.11Å; A2-G4 VanDerWaalsContact C-N 3.34Å; A2-G4 PolarHBondContact O-N 2.93Å; G4-W7 PolarHBondContact O-N 3.05Å; G4-K8 PolarHBondContact O-N 3.35Å |
| 5 | D | 91.5 | Very high | 91.5 | Very high | 101 Ų | 101 | 118.9 Ų | 118.9 | 54% | 0.54 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -67 | -43.8 | 177.1 | -59.6 | -44.4 | 0 | 0 | 0 | 111.2 | M1 A2 W7 K8 Q9 | M1-D5 PolarHBondContact O-N 3.36Å; A2-D5 PolarHBondContact O-N 3.1Å; D5-W7 VanDerWaalsContact C-N 3.34Å; D5-W7 PolarHBondContact O-N 3.06Å; D5-K8 PolarHBondContact O-N 2.99Å; D5-Q9 PolarHBondContact O-N 3.04Å |
| 6 | C | 94.4 | Very high | 91.9 | Very high | 83 Ų | 83 | 116.8 Ų | 116.8 | 56% | 0.561 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -59.5 | -43 | 173.8 | -69 | 0 | 0 | 0 | 0 | 112.2 | A2 Q9 L10 | A2-C6 PolarHBondContact O-N 3.34Å; A2-C6 VanDerWaalsContact O-N 3.11Å; A2-C6 PolarHBondContact O-SG 3.15Å; A2-C6 VanDerWaalsContact O-SG 3.38Å; C6-Q9 PolarHBondContact O-N 2.95Å; C6-L10 WeakPolarHBondContact O-CB 3.38Å; C6-L10 PolarHBondContact O-N 3.24Å |
| 7 | W | 94.8 | Very high | 92.1 | Very high | 175 Ų | 175 | 113.9 Ų | 113.9 | 66% | 0.663 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.4 | -41.7 | 178.7 | -171.7 | -97.1 | 0 | 0 | 0 | 112.3 | L3 G4 D5 Q9 L10 S11 | L3-W7 PolarHBondContact O-N 3.41Å; L3-W7 VanDerWaalsContact O-N 3.13Å; G4-W7 PolarHBondContact O-N 3.05Å; D5-W7 VanDerWaalsContact C-N 3.34Å; D5-W7 PolarHBondContact O-N 3.06Å; W7-Q9 VanDerWaalsContact C-N 3.31Å; W7-Q9 PolarHBondContact O-N 3.12Å; W7-L10 PolarHBondContact O-N 2.89Å; W7-S11 VanDerWaalsContact O-CB 3.31Å; W7-S11 WeakPolarHBondContact O-CB 3.43Å; W7-S11 PolarHBondContact O-N 2.63Å; W7-S11 PolarHBondContact O-OG 2.93Å |
| 8 | K | 95.4 | Very high | 92.4 | Very high | 159 Ų | 159 | 108.5 Ų | 108.5 | 69% | 0.691 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.6 | -43.8 | 175.4 | -177.1 | 179.4 | 176.9 | -178 | 0 | 110.9 | G4 D5 S11 W12 | G4-K8 PolarHBondContact O-N 3.35Å; D5-K8 PolarHBondContact O-N 2.99Å; K8-S11 PolarHBondContact O-N 3.38Å; K8-W12 WeakPolarHBondContact O-CB 3.27Å; K8-W12 PolarHBondContact O-N 3.09Å |
| 9 | Q | 95.6 | Very high | 92.6 | Very high | 116 Ų | 116 | 106.4 Ų | 106.4 | 54% | 0.542 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.8 | -43.9 | 179.3 | -164.8 | 174.1 | -13.3 | 0 | 0 | 111.9 | D5 C6 W7 S11 W12 F13 | D5-Q9 PolarHBondContact O-N 3.04Å; C6-Q9 PolarHBondContact O-N 2.95Å; W7-Q9 VanDerWaalsContact C-N 3.31Å; W7-Q9 PolarHBondContact O-N 3.12Å; Q9-S11 PolarHBondContact O-N 3.09Å; Q9-W12 WeakPolarHBondContact O-CB 3.44Å; Q9-W12 PolarHBondContact O-N 3.44Å; Q9-F13 HydrophobicContact CG-CD2 4.19Å; Q9-F13 HydrophobicContact CG-CE2 3.66Å; Q9-F13 HydrophobicContact CG-CZ 4.41Å; Q9-F13 WeakPolarHBondContact O-CD2 3.48Å; Q9-F13 PolarHBondContact O-N 3.21Å |
| 10 | L | 95.5 | Very high | 92.9 | Very high | 108 Ų | 108 | 107.3 Ų | 107.3 | 57% | 0.565 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.9 | -43.1 | 175.5 | -175.7 | 63.7 | 0 | 0 | 0 | 111.9 | C6 W7 W12 F13 Y14 | C6-L10 WeakPolarHBondContact O-CB 3.38Å; C6-L10 PolarHBondContact O-N 3.24Å; W7-L10 PolarHBondContact O-N 2.89Å; L10-W12 VanDerWaalsContact C-N 3.29Å; L10-W12 PolarHBondContact O-N 3.1Å; L10-F13 PolarHBondContact O-N 3.29Å; L10-Y14 PolarHBondContact O-N 3.28Å |
| 11 | S | 95.1 | Very high | 93 | Very high | 52 Ų | 52 | 104.9 Ų | 104.9 | 36% | 0.364 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.7 | -37.7 | 176.8 | -59.5 | 0 | 0 | 0 | 0 | 111.6 | W7 K8 Q9 Y14 Y15 | W7-S11 VanDerWaalsContact O-CB 3.31Å; W7-S11 WeakPolarHBondContact O-CB 3.43Å; W7-S11 PolarHBondContact O-N 2.63Å; W7-S11 PolarHBondContact O-OG 2.93Å; K8-S11 PolarHBondContact O-N 3.38Å; Q9-S11 PolarHBondContact O-N 3.09Å; S11-Y14 PolarHBondContact O-N 2.87Å; S11-Y15 WeakPolarHBondContact O-CB 3.49Å; S11-Y15 PolarHBondContact O-N 3.4Å |
| 12 | W | 97.5 | Very high | 94.4 | Very high | 131 Ų | 131 | 97 Ų | 97 | 50% | 0.496 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.2 | -44.2 | 175.6 | -178.8 | 83.7 | 0 | 0 | 0 | 112.2 | K8 Q9 L10 Y14 Y15 Q16 | K8-W12 WeakPolarHBondContact O-CB 3.27Å; K8-W12 PolarHBondContact O-N 3.09Å; Q9-W12 WeakPolarHBondContact O-CB 3.44Å; Q9-W12 PolarHBondContact O-N 3.44Å; L10-W12 VanDerWaalsContact C-N 3.29Å; L10-W12 PolarHBondContact O-N 3.1Å; W12-Y14 VanDerWaalsContact C-N 3.33Å; W12-Y14 PolarHBondContact O-N 3.4Å; W12-Y15 PolarHBondContact O-N 3.19Å; W12-Q16 HydrophobicContact CD2-CG 4.05Å; W12-Q16 HydrophobicContact CE3-CG 4.21Å; W12-Q16 HydrophobicContact CH2-CG 3.92Å; W12-Q16 VanDerWaalsContact CZ2-CD 3.44Å; W12-Q16 HydrophobicContact CZ2-CG 3.74Å; W12-Q16 HydrophobicContact CZ3-CG 4.15Å; W12-Q16 WeakPolarHBondContact O-CG 3.43Å; W12-Q16 PolarHBondContact O-N 2.81Å |
| 13 | F | 97.6 | Very high | 95.2 | Very high | 110 Ų | 110 | 93.6 Ų | 93.6 | 48% | 0.482 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 174.8 | -73.3 | -59.1 | 0 | 0 | 0 | 112.3 | Q9 L10 Y15 Q16 Y17 | Q9-F13 HydrophobicContact CG-CD2 4.19Å; Q9-F13 HydrophobicContact CG-CE2 3.66Å; Q9-F13 HydrophobicContact CG-CZ 4.41Å; Q9-F13 WeakPolarHBondContact O-CD2 3.48Å; Q9-F13 PolarHBondContact O-N 3.21Å; L10-F13 PolarHBondContact O-N 3.29Å; F13-Y15 VanDerWaalsContact C-N 3.3Å; F13-Y15 PolarHBondContact O-N 3.01Å; F13-Q16 PolarHBondContact O-N 3.09Å; F13-Y17 WeakPolarHBondContact O-CB 3.31Å; F13-Y17 PolarHBondContact O-N 2.96Å |
| 14 | Y | 95.3 | Very high | 95.6 | Very high | 125 Ų | 125 | 92.4 Ų | 92.4 | 49% | 0.49 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.3 | -36.9 | 175.8 | -176.8 | -114.3 | 0 | 0 | 0 | 112.6 | L10 S11 W12 Y17 L18 R31 | L10-Y14 PolarHBondContact O-N 3.28Å; S11-Y14 PolarHBondContact O-N 2.87Å; W12-Y14 VanDerWaalsContact C-N 3.33Å; W12-Y14 PolarHBondContact O-N 3.4Å; Y14-Y17 WeakPolarHBondContact O-CB 3.28Å; Y14-L18 HydrophobicContact CD1-CD1 4.43Å; Y14-L18 HydrophobicContact CE1-CD1 4.36Å; Y14-L18 PolarHBondContact O-N 3.28Å; Y14-L18 VanDerWaalsContact O-N 3.09Å; Y14-R31 PolarHBondContact OH-NH1 3.48Å; Y14-R31 PolarHBondContact OH-NH2 3.37Å |
| 15 | Y | 96.3 | Very high | 95.8 | Very high | 136 Ų | 136 | 96.8 Ų | 96.8 | 53% | 0.533 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -69.5 | -40.6 | 175.3 | -174.1 | -107.4 | 0 | 0 | 0 | 112.5 | S11 W12 F13 L18 L19 | S11-Y15 WeakPolarHBondContact O-CB 3.49Å; S11-Y15 PolarHBondContact O-N 3.4Å; W12-Y15 PolarHBondContact O-N 3.19Å; F13-Y15 VanDerWaalsContact C-N 3.3Å; F13-Y15 PolarHBondContact O-N 3.01Å; Y15-L18 WeakPolarHBondContact O-CB 3.46Å; Y15-L18 PolarHBondContact O-N 3.47Å; Y15-L19 HydrophobicContact CD1-CD1 3.9Å; Y15-L19 HydrophobicContact CD1-CG 4.42Å; Y15-L19 HydrophobicContact CE1-CD1 3.32Å; Y15-L19 HydrophobicContact CE1-CG 4.03Å; Y15-L19 HydrophobicContact CE2-CG 4.46Å; Y15-L19 WeakPolarHBondContact O-CG 3.49Å; Y15-L19 PolarHBondContact O-N 3.36Å; Y15-L19 VanDerWaalsContact O-N 3.09Å |
| 16 | Q | 97.8 | Very high | 96 | Very high | 86 Ų | 86 | 95.2 Ų | 95.2 | 40% | 0.402 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.2 | -46 | 172.6 | -72.2 | -109.9 | -49.8 | 0 | 0 | 111.4 | W12 F13 L18 L19 V20 | W12-Q16 HydrophobicContact CD2-CG 4.05Å; W12-Q16 HydrophobicContact CE3-CG 4.21Å; W12-Q16 HydrophobicContact CH2-CG 3.92Å; W12-Q16 VanDerWaalsContact CZ2-CD 3.44Å; W12-Q16 HydrophobicContact CZ2-CG 3.74Å; W12-Q16 HydrophobicContact CZ3-CG 4.15Å; W12-Q16 WeakPolarHBondContact O-CG 3.43Å; W12-Q16 PolarHBondContact O-N 2.81Å; F13-Q16 PolarHBondContact O-N 3.09Å; Q16-L18 VanDerWaalsContact C-N 3.3Å; Q16-L18 PolarHBondContact O-N 2.91Å; Q16-L19 PolarHBondContact O-N 3.42Å; Q16-V20 WeakPolarHBondContact O-CB 3.48Å; Q16-V20 VanDerWaalsContact O-CG2 3.29Å; Q16-V20 WeakPolarHBondContact O-CG2 3.31Å; Q16-V20 PolarHBondContact O-N 2.98Å |
| 17 | Y | 96.3 | Very high | 96.2 | Very high | 67 Ų | 67 | 96.5 Ų | 96.5 | 26% | 0.263 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -53.6 | -47.8 | 174.7 | 167.1 | -108.2 | 0 | 0 | 0 | 111.7 | F13 Y14 L19 T21 L23 N35 | F13-Y17 WeakPolarHBondContact O-CB 3.31Å; F13-Y17 PolarHBondContact O-N 2.96Å; Y14-Y17 WeakPolarHBondContact O-CB 3.28Å; Y17-L19 PolarHBondContact O-N 3.13Å; Y17-T21 HydrophobicContact CD2-CG2 3.93Å; Y17-T21 HydrophobicContact CE2-CG2 3.73Å; Y17-T21 WeakPolarHBondContact O-CB 3.49Å; Y17-T21 WeakPolarHBondContact O-CG2 3.29Å; Y17-T21 PolarHBondContact O-N 3.45Å; Y17-T21 VanDerWaalsContact O-N 3.09Å; Y17-T21 PolarHBondContact O-OG1 2.6Å; Y17-L23 HydrophobicContact CE1-CD1 3.62Å; Y17-L23 HydrophobicContact CE2-CD1 4.45Å; Y17-L23 VanDerWaalsContact OH-CD1 3.31Å; Y17-L23 WeakPolarHBondContact OH-CD1 3.34Å; Y17-N35 PolarHBondContact OH-OD1 3.42Å |
| 18 | L | 96 | Very high | 96.2 | Very high | 17 Ų | 17 | 93.3 Ų | 93.3 | 9% | 0.089 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -57.6 | -45 | 177.6 | -88.4 | 175.3 | 0 | 0 | 0 | 114.2 | Y14 Y15 Q16 A22 L23 Y24 R31 | Y14-L18 HydrophobicContact CD1-CD1 4.43Å; Y14-L18 HydrophobicContact CE1-CD1 4.36Å; Y14-L18 PolarHBondContact O-N 3.28Å; Y14-L18 VanDerWaalsContact O-N 3.09Å; Y15-L18 WeakPolarHBondContact O-CB 3.46Å; Y15-L18 PolarHBondContact O-N 3.47Å; Q16-L18 VanDerWaalsContact C-N 3.3Å; Q16-L18 PolarHBondContact O-N 2.91Å; L18-A22 CarbonylContact O-C 3.48Å; L18-A22 PolarHBondContact O-N 2.89Å; L18-L23 HydrophobicContact CD2-CB 3.58Å; L18-L23 PolarHBondContact O-N 3.09Å; L18-Y24 PolarHBondContact O-N 3.44Å; L18-R31 VanDerWaalsContact CD1-NH2 3.34Å; L18-R31 VanDerWaalsContact CG-CZ 3.46Å |
| 19 | L | 97.4 | Very high | 96.2 | Very high | 68 Ų | 68 | 93.2 Ų | 93.2 | 36% | 0.356 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -72 | -47.7 | -177.7 | -69.8 | -178.6 | 0 | 0 | 0 | 111.3 | Y15 Q16 Y17 T21 A22 Y24 | Y15-L19 HydrophobicContact CD1-CD1 3.9Å; Y15-L19 HydrophobicContact CD1-CG 4.42Å; Y15-L19 HydrophobicContact CE1-CD1 3.32Å; Y15-L19 HydrophobicContact CE1-CG 4.03Å; Y15-L19 HydrophobicContact CE2-CG 4.46Å; Y15-L19 WeakPolarHBondContact O-CG 3.49Å; Y15-L19 PolarHBondContact O-N 3.36Å; Y15-L19 VanDerWaalsContact O-N 3.09Å; Q16-L19 PolarHBondContact O-N 3.42Å; Y17-L19 PolarHBondContact O-N 3.13Å; L19-T21 VanDerWaalsContact C-N 3.31Å; L19-T21 PolarHBondContact O-N 3.25Å; L19-A22 PolarHBondContact O-N 3.19Å; L19-A22 VanDerWaalsContact O-N 3.1Å; L19-Y24 HydrophobicContact CD2-CD1 3.73Å; L19-Y24 HydrophobicContact CD2-CD2 4.49Å; L19-Y24 HydrophobicContact CD2-CE1 4.09Å; L19-Y24 HydrophobicContact CD2-CG 3.93Å |
| 20 | V | 97.5 | Very high | 96.3 | Very high | 124 Ų | 124 | 91.2 Ų | 91.2 | 75% | 0.752 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -64.2 | -36.9 | -176.3 | 172.3 | 0 | 0 | 0 | 0 | 111.7 | Q16 A22 | Q16-V20 WeakPolarHBondContact O-CB 3.48Å; Q16-V20 VanDerWaalsContact O-CG2 3.29Å; Q16-V20 WeakPolarHBondContact O-CG2 3.31Å; Q16-V20 PolarHBondContact O-N 2.98Å; V20-A22 VanDerWaalsContact C-N 3.31Å |
| 21 | T | 95 | Very high | 96.4 | Very high | 58 Ų | 58 | 87.9 Ų | 87.9 | 36% | 0.356 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 3 | 178.1 | 59.6 | 0 | 0 | 0 | 0 | 113.5 | Y17 L19 L23 | Y17-T21 HydrophobicContact CD2-CG2 3.93Å; Y17-T21 HydrophobicContact CE2-CG2 3.73Å; Y17-T21 WeakPolarHBondContact O-CB 3.49Å; Y17-T21 WeakPolarHBondContact O-CG2 3.29Å; Y17-T21 PolarHBondContact O-N 3.45Å; Y17-T21 VanDerWaalsContact O-N 3.09Å; Y17-T21 PolarHBondContact O-OG1 2.6Å; L19-T21 VanDerWaalsContact C-N 3.31Å; L19-T21 PolarHBondContact O-N 3.25Å; T21-L23 PolarHBondContact O-N 2.94Å; T21-L23 VanDerWaalsContact OG1-CD1 3.28Å; T21-L23 WeakPolarHBondContact OG1-CD1 3.46Å; T21-L23 VanDerWaalsContact OG1-CG 3.27Å; T21-L23 WeakPolarHBondContact OG1-CG 3.44Å |
| 22 | A | 95.9 | Very high | 96.4 | Very high | 48 Ų | 48 | 89.9 Ų | 89.9 | 40% | 0.397 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 13.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | L18 L19 V20 Y24 M25 | L18-A22 CarbonylContact O-C 3.48Å; L18-A22 PolarHBondContact O-N 2.89Å; L19-A22 PolarHBondContact O-N 3.19Å; L19-A22 VanDerWaalsContact O-N 3.1Å; V20-A22 VanDerWaalsContact C-N 3.31Å; A22-Y24 PolarHBondContact O-N 3.36Å; A22-Y24 VanDerWaalsContact O-N 3.1Å; A22-M25 PolarHBondContact O-N 3.28Å |
| 23 | L | 95.6 | Very high | 96.4 | Very high | 4 Ų | 4 | 87.4 Ų | 87.4 | 2% | 0.021 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -64.8 | -13.8 | 178.6 | -77 | 174.9 | 0 | 0 | 0 | 114.1 | Y17 L18 T21 M25 L26 F34 | Y17-L23 HydrophobicContact CE1-CD1 3.62Å; Y17-L23 HydrophobicContact CE2-CD1 4.45Å; Y17-L23 VanDerWaalsContact OH-CD1 3.31Å; Y17-L23 WeakPolarHBondContact OH-CD1 3.34Å; L18-L23 HydrophobicContact CD2-CB 3.58Å; L18-L23 PolarHBondContact O-N 3.09Å; T21-L23 PolarHBondContact O-N 2.94Å; T21-L23 VanDerWaalsContact OG1-CD1 3.28Å; T21-L23 WeakPolarHBondContact OG1-CD1 3.46Å; T21-L23 VanDerWaalsContact OG1-CG 3.27Å; T21-L23 WeakPolarHBondContact OG1-CG 3.44Å; L23-M25 PolarHBondContact O-N 3.21Å; L23-L26 HydrophobicContact CD2-CD1 4.5Å; L23-L26 HydrophobicContact CD2-CD2 4Å; L23-L26 PolarHBondContact O-N 2.97Å; L23-F34 HydrophobicContact CD1-CD1 3.87Å; L23-F34 HydrophobicContact CD1-CE1 4.12Å; L23-F34 HydrophobicContact CD2-CB 4.08Å; L23-F34 HydrophobicContact CD2-CD1 3.53Å; L23-F34 HydrophobicContact CD2-CE1 4.06Å; L23-F34 HydrophobicContact CD2-CG 3.8Å; L23-F34 HydrophobicContact CG-CD1 4.22Å; L23-F34 HydrophobicContact CG-CE1 4.42Å |
| 24 | Y | 95.1 | Very high | 96.4 | Very high | 126 Ų | 126 | 86.6 Ų | 86.6 | 49% | 0.494 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -68.4 | -20 | 179.1 | 82.5 | -88.4 | 0 | 0 | 0 | 113.2 | L18 L19 A22 | L18-Y24 PolarHBondContact O-N 3.44Å; L19-Y24 HydrophobicContact CD2-CD1 3.73Å; L19-Y24 HydrophobicContact CD2-CD2 4.49Å; L19-Y24 HydrophobicContact CD2-CE1 4.09Å; L19-Y24 HydrophobicContact CD2-CG 3.93Å; A22-Y24 PolarHBondContact O-N 3.36Å; A22-Y24 VanDerWaalsContact O-N 3.1Å |
| 25 | M | 96.7 | Very high | 96.4 | Very high | 139 Ų | 139 | 82 Ų | 82 | 69% | 0.685 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -82.3 | -17.2 | 179 | -63.6 | -172.6 | 176.8 | 0 | 0 | 113.2 | A22 L23 | A22-M25 PolarHBondContact O-N 3.28Å; L23-M25 PolarHBondContact O-N 3.21Å |
| 26 | L | 95.9 | Very high | 96.5 | Very high | 67 Ų | 67 | 78.8 Ų | 78.8 | 35% | 0.351 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -82.9 | 153.3 | -175.4 | -81.2 | 73.3 | 0 | 0 | 0 | 111.2 | L23 E30 R31 | L23-L26 HydrophobicContact CD2-CD1 4.5Å; L23-L26 HydrophobicContact CD2-CD2 4Å; L23-L26 PolarHBondContact O-N 2.97Å; L26-E30 HydrophobicContact CB-CB 4.16Å; L26-E30 HydrophobicContact CD2-CB 4.02Å; L26-E30 HydrophobicContact CG-CB 4.4Å; L26-R31 HydrophobicContact CB-CB 4.43Å |
| 27 | E | 97.1 | Very high | 96.5 | Very high | 110 Ų | 110 | 79.5 Ų | 79.5 | 51% | 0.514 | 41% | 0.414 | S | S | . | . | trans | -64.9 | 154.9 | 171.8 | -63.4 | -171 | 121.6 | 0 | 0 | 111 | W29 E30 R31 | E27-W29 PolarHBondContact O-N 2.87Å; E27-W29 VanDerWaalsContact O-N 3.12Å; E27-W29 PolarHBondContact OE2-NE1 2.92Å; E27-E30 HydrophobicContact CB-CG 4.1Å; E27-E30 PolarHBondContact N-OE2 3.42Å; E27-E30 PolarHBondContact O-N 3.25Å; E27-E30 VanDerWaalsContact O-N 3.15Å; E27-R31 WeakPolarHBondContact O-CB 3.32Å; E27-R31 PolarHBondContact O-N 2.96Å | ||
| 28 | P | 94.9 | Very high | 96.5 | Very high | 109 Ų | 109 | 80 Ų | 80 | 71% | 0.708 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -55.8 | -35 | -176.7 | -27.2 | 35.1 | 0 | 0 | 0 | 114.2 | T32 | P28-T32 PolarHBondContact O-N 2.88Å; P28-T32 PolarHBondContact O-OG1 2.95Å |
| 29 | W | 97.2 | Very high | 96.6 | Very high | 157 Ų | 157 | 84.6 Ų | 84.6 | 60% | 0.595 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -75.2 | -43.2 | 179.5 | 81.3 | -91.9 | 0 | 0 | 0 | 111.5 | E27 R31 T32 V33 | E27-W29 PolarHBondContact O-N 2.87Å; E27-W29 VanDerWaalsContact O-N 3.12Å; E27-W29 PolarHBondContact OE2-NE1 2.92Å; W29-R31 VanDerWaalsContact C-N 3.3Å; W29-R31 PolarHBondContact O-N 3.47Å; W29-T32 WeakPolarHBondContact O-CB 3.4Å; W29-T32 PolarHBondContact O-N 2.92Å; W29-V33 HydrophobicContact CE3-CG2 3.96Å; W29-V33 HydrophobicContact CZ3-CG2 4Å; W29-V33 PolarHBondContact O-N 2.88Å |
| 30 | E | 97.5 | Very high | 96.6 | Very high | 74 Ų | 74 | 84.2 Ų | 84.2 | 35% | 0.346 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.2 | -44.1 | 177.7 | -62.6 | 179.2 | 134.8 | 0 | 0 | 110.7 | L26 E27 T32 V33 F34 | L26-E30 HydrophobicContact CB-CB 4.16Å; L26-E30 HydrophobicContact CD2-CB 4.02Å; L26-E30 HydrophobicContact CG-CB 4.4Å; E27-E30 HydrophobicContact CB-CG 4.1Å; E27-E30 PolarHBondContact N-OE2 3.42Å; E27-E30 PolarHBondContact O-N 3.25Å; E27-E30 VanDerWaalsContact O-N 3.15Å; E30-T32 VanDerWaalsContact C-N 3.27Å; E30-T32 PolarHBondContact O-N 3.27Å; E30-V33 PolarHBondContact O-N 3Å; E30-F34 PolarHBondContact O-N 3.48Å |
| 31 | R | 96.4 | Very high | 96.7 | Very high | 37 Ų | 37 | 82.6 Ų | 82.6 | 14% | 0.14 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -59.3 | -38.9 | 175.1 | -178.9 | -174.4 | 171.1 | -174.6 | 8.1 | 112.2 | Y14 L18 L26 E27 W29 F34 N35 | Y14-R31 PolarHBondContact OH-NH1 3.48Å; Y14-R31 PolarHBondContact OH-NH2 3.37Å; L18-R31 VanDerWaalsContact CD1-NH2 3.34Å; L18-R31 VanDerWaalsContact CG-CZ 3.46Å; L26-R31 HydrophobicContact CB-CB 4.43Å; E27-R31 WeakPolarHBondContact O-CB 3.32Å; E27-R31 PolarHBondContact O-N 2.96Å; W29-R31 VanDerWaalsContact C-N 3.3Å; W29-R31 PolarHBondContact O-N 3.47Å; R31-F34 PolarHBondContact O-N 3.42Å; R31-N35 WeakPolarHBondContact O-CB 3.42Å; R31-N35 VanDerWaalsContact O-CG 3.27Å; R31-N35 PolarHBondContact O-N 3.32Å; R31-N35 PolarHBondContact O-ND2 3.28Å; R31-N35 VanDerWaalsContact O-ND2 3.13Å |
| 32 | T | 95.9 | Very high | 96.8 | Very high | 94 Ų | 94 | 81.9 Ų | 81.9 | 58% | 0.577 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -66.5 | -40.8 | 177.9 | -57.3 | 0 | 0 | 0 | 0 | 111 | P28 W29 E30 S36 | P28-T32 PolarHBondContact O-N 2.88Å; P28-T32 PolarHBondContact O-OG1 2.95Å; W29-T32 WeakPolarHBondContact O-CB 3.4Å; W29-T32 PolarHBondContact O-N 2.92Å; E30-T32 VanDerWaalsContact C-N 3.27Å; E30-T32 PolarHBondContact O-N 3.27Å; T32-S36 WeakPolarHBondContact O-CB 3.48Å; T32-S36 PolarHBondContact O-N 2.83Å; T32-S36 PolarHBondContact O-OG 2.97Å |
| 33 | V | 97.8 | Very high | 96.9 | Very high | 80 Ų | 80 | 81.8 Ų | 81.8 | 49% | 0.485 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.5 | -43.5 | 174.6 | 175.2 | 0 | 0 | 0 | 0 | 111.5 | W29 E30 S36 L37 | W29-V33 HydrophobicContact CE3-CG2 3.96Å; W29-V33 HydrophobicContact CZ3-CG2 4Å; W29-V33 PolarHBondContact O-N 2.88Å; E30-V33 PolarHBondContact O-N 3Å; V33-S36 PolarHBondContact O-N 3.45Å; V33-S36 PolarHBondContact O-OG 3.24Å; V33-L37 PolarHBondContact O-N 3.49Å; V33-L37 VanDerWaalsContact O-N 3.09Å |
| 34 | F | 96.7 | Very high | 97.1 | Very high | 92 Ų | 92 | 87 Ų | 87 | 40% | 0.404 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.1 | -46.6 | 177.7 | -173.9 | -87.8 | 0 | 0 | 0 | 112 | L23 E30 R31 S36 L37 L38 | L23-F34 HydrophobicContact CD1-CD1 3.87Å; L23-F34 HydrophobicContact CD1-CE1 4.12Å; L23-F34 HydrophobicContact CD2-CB 4.08Å; L23-F34 HydrophobicContact CD2-CD1 3.53Å; L23-F34 HydrophobicContact CD2-CE1 4.06Å; L23-F34 HydrophobicContact CD2-CG 3.8Å; L23-F34 HydrophobicContact CG-CD1 4.22Å; L23-F34 HydrophobicContact CG-CE1 4.42Å; E30-F34 PolarHBondContact O-N 3.48Å; R31-F34 PolarHBondContact O-N 3.42Å; F34-S36 VanDerWaalsContact C-N 3.33Å; F34-S36 PolarHBondContact O-N 2.78Å; F34-L37 PolarHBondContact O-N 3.37Å; F34-L38 HydrophobicContact CE1-CD1 4.05Å; F34-L38 PolarHBondContact O-N 3.34Å |
| 35 | N | 96.1 | Very high | 97.2 | Very high | 30 Ų | 30 | 83.8 Ų | 83.8 | 16% | 0.16 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -63.4 | -37.9 | 178.7 | -72.9 | -32.3 | 0 | 0 | 0 | 112.2 | Y17 R31 L37 L38 I39 | Y17-N35 PolarHBondContact OH-OD1 3.42Å; R31-N35 WeakPolarHBondContact O-CB 3.42Å; R31-N35 VanDerWaalsContact O-CG 3.27Å; R31-N35 PolarHBondContact O-N 3.32Å; R31-N35 PolarHBondContact O-ND2 3.28Å; R31-N35 VanDerWaalsContact O-ND2 3.13Å; N35-L37 VanDerWaalsContact C-N 3.35Å; N35-L38 PolarHBondContact O-N 3.44Å; N35-I39 WeakPolarHBondContact O-CB 3.23Å; N35-I39 VanDerWaalsContact O-CG1 3.24Å; N35-I39 WeakPolarHBondContact O-CG1 3.24Å; N35-I39 PolarHBondContact O-N 2.87Å |
| 36 | S | 97.6 | Very high | 97.2 | Very high | 68 Ų | 68 | 83.1 Ų | 83.1 | 48% | 0.476 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.7 | -38.5 | 177.7 | 69.5 | 0 | 0 | 0 | 0 | 111.7 | T32 V33 F34 S40 | T32-S36 WeakPolarHBondContact O-CB 3.48Å; T32-S36 PolarHBondContact O-N 2.83Å; T32-S36 PolarHBondContact O-OG 2.97Å; V33-S36 PolarHBondContact O-N 3.45Å; V33-S36 PolarHBondContact O-OG 3.24Å; F34-S36 VanDerWaalsContact C-N 3.33Å; F34-S36 PolarHBondContact O-N 2.78Å; S36-S40 WeakPolarHBondContact O-CB 3.46Å; S36-S40 PolarHBondContact O-N 3.04Å; S36-S40 PolarHBondContact O-OG 3.42Å |
| 37 | L | 97.7 | Very high | 97.3 | Very high | 101 Ų | 101 | 86.6 Ų | 86.6 | 53% | 0.529 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.7 | -42.5 | 173 | -178.5 | 137.8 | 0 | 0 | 0 | 112.1 | V33 F34 N35 I39 S40 V41 | V33-L37 PolarHBondContact O-N 3.49Å; V33-L37 VanDerWaalsContact O-N 3.09Å; F34-L37 PolarHBondContact O-N 3.37Å; N35-L37 VanDerWaalsContact C-N 3.35Å; L37-I39 VanDerWaalsContact C-N 3.35Å; L37-I39 PolarHBondContact O-N 2.88Å; L37-S40 WeakPolarHBondContact CA-OG 3.5Å; L37-S40 PolarHBondContact O-N 3.04Å; L37-S40 PolarHBondContact O-OG 2.91Å; L37-V41 HydrophobicContact CD2-CG2 4.42Å; L37-V41 VanDerWaalsContact O-CG2 3.31Å; L37-V41 WeakPolarHBondContact O-CG2 3.31Å; L37-V41 PolarHBondContact O-N 2.79Å |
| 38 | L | 96.8 | Very high | 97.3 | Very high | 76 Ų | 76 | 84.2 Ų | 84.2 | 40% | 0.398 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.2 | -44.2 | 176.9 | -174 | 146.9 | 0 | 0 | 0 | 111.4 | F34 N35 V41 A42 | F34-L38 HydrophobicContact CE1-CD1 4.05Å; F34-L38 PolarHBondContact O-N 3.34Å; N35-L38 PolarHBondContact O-N 3.44Å; L38-V41 PolarHBondContact O-N 3.47Å; L38-A42 WeakPolarHBondContact O-CB 3.47Å; L38-A42 PolarHBondContact O-N 3.48Å |
| 39 | I | 97.9 | Very high | 97.4 | Very high | 114 Ų | 114 | 80.2 Ų | 80.2 | 59% | 0.585 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -64 | -41.1 | 176.4 | -69.3 | 167.1 | 0 | 0 | 0 | 110.7 | N35 L37 A42 A43 | N35-I39 WeakPolarHBondContact O-CB 3.23Å; N35-I39 VanDerWaalsContact O-CG1 3.24Å; N35-I39 WeakPolarHBondContact O-CG1 3.24Å; N35-I39 PolarHBondContact O-N 2.87Å; L37-I39 VanDerWaalsContact C-N 3.35Å; L37-I39 PolarHBondContact O-N 2.88Å; I39-A42 PolarHBondContact O-N 3.47Å; I39-A43 VanDerWaalsContact O-CB 3.23Å; I39-A43 WeakPolarHBondContact O-CB 3.36Å; I39-A43 PolarHBondContact O-N 2.84Å |
| 40 | S | 98.3 | Very high | 97.4 | Very high | 61 Ų | 61 | 81.5 Ų | 81.5 | 43% | 0.427 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.1 | -42.6 | 179.7 | 72.9 | 0 | 0 | 0 | 0 | 111.9 | S36 L37 A43 M44 | S36-S40 WeakPolarHBondContact O-CB 3.46Å; S36-S40 PolarHBondContact O-N 3.04Å; S36-S40 PolarHBondContact O-OG 3.42Å; L37-S40 WeakPolarHBondContact CA-OG 3.5Å; L37-S40 PolarHBondContact O-N 3.04Å; L37-S40 PolarHBondContact O-OG 2.91Å; S40-A43 PolarHBondContact O-N 3.35Å; S40-M44 WeakPolarHBondContact O-CB 3.46Å; S40-M44 VanDerWaalsContact O-CG 3.32Å; S40-M44 WeakPolarHBondContact O-CG 3.14Å; S40-M44 PolarHBondContact O-N 2.82Å |
| 41 | V | 98.2 | Very high | 97.4 | Very high | 90 Ų | 90 | 81 Ų | 81 | 55% | 0.545 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.7 | -46.3 | 175.1 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | L37 L38 A43 M44 A45 | L37-V41 HydrophobicContact CD2-CG2 4.42Å; L37-V41 VanDerWaalsContact O-CG2 3.31Å; L37-V41 WeakPolarHBondContact O-CG2 3.31Å; L37-V41 PolarHBondContact O-N 2.79Å; L38-V41 PolarHBondContact O-N 3.47Å; V41-A43 PolarHBondContact O-N 2.88Å; V41-M44 PolarHBondContact O-N 3.45Å; V41-A45 WeakPolarHBondContact O-CB 3.3Å; V41-A45 PolarHBondContact O-N 2.9Å |
| 42 | A | 98.1 | Very high | 97.3 | Very high | 43 Ų | 43 | 84.7 Ų | 84.7 | 36% | 0.355 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62 | -43.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L38 I39 M44 A45 I46 | L38-A42 WeakPolarHBondContact O-CB 3.47Å; L38-A42 PolarHBondContact O-N 3.48Å; I39-A42 PolarHBondContact O-N 3.47Å; A42-M44 VanDerWaalsContact C-N 3.34Å; A42-M44 PolarHBondContact O-N 3.41Å; A42-A45 PolarHBondContact O-N 3.3Å; A42-I46 VanDerWaalsContact O-CG1 3.29Å; A42-I46 WeakPolarHBondContact O-CG1 3.44Å; A42-I46 PolarHBondContact O-N 2.99Å |
| 43 | A | 98.3 | Very high | 97.3 | Very high | 46 Ų | 46 | 85.6 Ų | 85.6 | 38% | 0.38 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62 | -41.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | I39 S40 V41 I46 Y47 | I39-A43 VanDerWaalsContact O-CB 3.23Å; I39-A43 WeakPolarHBondContact O-CB 3.36Å; I39-A43 PolarHBondContact O-N 2.84Å; S40-A43 PolarHBondContact O-N 3.35Å; V41-A43 PolarHBondContact O-N 2.88Å; A43-I46 PolarHBondContact O-N 3.3Å; A43-Y47 VanDerWaalsContact O-CB 3.22Å; A43-Y47 WeakPolarHBondContact O-CB 3.39Å; A43-Y47 PolarHBondContact O-N 3.02Å |
| 44 | M | 98.2 | Very high | 97.1 | Very high | 113 Ų | 113 | 84.9 Ų | 84.9 | 56% | 0.557 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -65.1 | -41 | 174.6 | -72.8 | -59.7 | 102.6 | 0 | 0 | 112.1 | S40 V41 A42 Y47 T48 | S40-M44 WeakPolarHBondContact O-CB 3.46Å; S40-M44 VanDerWaalsContact O-CG 3.32Å; S40-M44 WeakPolarHBondContact O-CG 3.14Å; S40-M44 PolarHBondContact O-N 2.82Å; V41-M44 PolarHBondContact O-N 3.45Å; A42-M44 VanDerWaalsContact C-N 3.34Å; A42-M44 PolarHBondContact O-N 3.41Å; M44-Y47 PolarHBondContact O-N 3.48Å; M44-T48 WeakPolarHBondContact O-CB 3.22Å; M44-T48 VanDerWaalsContact O-CG2 3.3Å; M44-T48 WeakPolarHBondContact O-CG2 3.29Å; M44-T48 PolarHBondContact O-N 3.24Å; M44-T48 PolarHBondContact O-OG1 3.49Å |
| 45 | A | 97.8 | Very high | 97 | Very high | 59 Ų | 59 | 87.5 Ų | 87.5 | 49% | 0.488 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V41 A42 T48 G49 | V41-A45 WeakPolarHBondContact O-CB 3.3Å; V41-A45 PolarHBondContact O-N 2.9Å; A42-A45 PolarHBondContact O-N 3.3Å; A45-T48 WeakPolarHBondContact CA-OG1 3.39Å; A45-T48 PolarHBondContact O-OG1 3.25Å; A45-T48 VanDerWaalsContact O-OG1 3.04Å; A45-G49 PolarHBondContact O-N 2.8Å |
| 46 | I | 98.1 | Very high | 96.9 | Very high | 125 Ų | 125 | 91.3 Ų | 91.3 | 64% | 0.641 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.6 | -45 | 175.4 | -66.9 | 165.5 | 0 | 0 | 0 | 110.6 | A42 A43 G49 Y50 | A42-I46 VanDerWaalsContact O-CG1 3.29Å; A42-I46 WeakPolarHBondContact O-CG1 3.44Å; A42-I46 PolarHBondContact O-N 2.99Å; A43-I46 PolarHBondContact O-N 3.3Å; I46-G49 PolarHBondContact O-N 3.44Å; I46-Y50 VanDerWaalsContact O-CB 3.32Å; I46-Y50 WeakPolarHBondContact O-CB 3.45Å; I46-Y50 PolarHBondContact O-N 3.39Å |
| 47 | Y | 97.8 | Very high | 96.7 | Very high | 140 Ų | 140 | 91.7 Ų | 91.7 | 55% | 0.549 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.5 | -50.2 | 179.8 | 173.8 | -103.6 | 0 | 0 | 0 | 111.5 | A43 M44 G49 Y50 V51 | A43-Y47 VanDerWaalsContact O-CB 3.22Å; A43-Y47 WeakPolarHBondContact O-CB 3.39Å; A43-Y47 PolarHBondContact O-N 3.02Å; M44-Y47 PolarHBondContact O-N 3.48Å; Y47-G49 PolarHBondContact O-N 2.78Å; Y47-Y50 PolarHBondContact O-N 2.99Å; Y47-V51 HydrophobicContact CD2-CG2 4.1Å; Y47-V51 HydrophobicContact CE1-CG2 4.14Å; Y47-V51 HydrophobicContact CE2-CG2 3.69Å; Y47-V51 WeakPolarHBondContact O-CB 3.3Å; Y47-V51 VanDerWaalsContact O-CG2 3.3Å; Y47-V51 WeakPolarHBondContact O-CG2 3.45Å; Y47-V51 PolarHBondContact O-N 3.03Å |
| 48 | T | 96.9 | Very high | 96.6 | Very high | 60 Ų | 60 | 92.4 Ų | 92.4 | 37% | 0.368 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 176.5 | 52.8 | 0 | 0 | 0 | 0 | 111.3 | M44 A45 Y50 V51 F52 | M44-T48 WeakPolarHBondContact O-CB 3.22Å; M44-T48 VanDerWaalsContact O-CG2 3.3Å; M44-T48 WeakPolarHBondContact O-CG2 3.29Å; M44-T48 PolarHBondContact O-N 3.24Å; M44-T48 PolarHBondContact O-OG1 3.49Å; A45-T48 WeakPolarHBondContact CA-OG1 3.39Å; A45-T48 PolarHBondContact O-OG1 3.25Å; A45-T48 VanDerWaalsContact O-OG1 3.04Å; T48-Y50 PolarHBondContact O-N 3.42Å; T48-V51 PolarHBondContact O-N 3.03Å; T48-F52 HydrophobicContact CG2-CD2 4.45Å; T48-F52 HydrophobicContact CG2-CE2 4.13Å; T48-F52 WeakPolarHBondContact O-CB 3.01Å; T48-F52 WeakPolarHBondContact O-CD2 3.21Å; T48-F52 PolarHBondContact O-N 2.88Å |
| 49 | G | 96.4 | Very high | 96.4 | Very high | 24 Ų | 24 | 91.8 Ų | 91.8 | 25% | 0.247 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -55.8 | -49 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A45 I46 Y47 V51 M53 | A45-G49 PolarHBondContact O-N 2.8Å; I46-G49 PolarHBondContact O-N 3.44Å; Y47-G49 PolarHBondContact O-N 2.78Å; G49-V51 PolarHBondContact O-N 3.01Å; G49-M53 WeakPolarHBondContact O-CA 3.32Å; G49-M53 WeakPolarHBondContact O-CB 3.45Å; G49-M53 WeakPolarHBondContact O-CG 3.2Å; G49-M53 PolarHBondContact O-N 3.09Å |
| 50 | Y | 96.8 | Very high | 96.3 | Very high | 184 Ų | 184 | 90.8 Ų | 90.8 | 72% | 0.722 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.8 | -39.7 | 179.5 | 179.4 | -99.4 | 0 | 0 | 0 | 113.2 | I46 Y47 T48 P54 | I46-Y50 VanDerWaalsContact O-CB 3.32Å; I46-Y50 WeakPolarHBondContact O-CB 3.45Å; I46-Y50 PolarHBondContact O-N 3.39Å; Y47-Y50 PolarHBondContact O-N 2.99Å; T48-Y50 PolarHBondContact O-N 3.42Å; Y50-P54 WeakPolarHBondContact O-CD 3.5Å; Y50-P54 WeakPolarHBondContact O-CG 3.15Å |
| 51 | V | 97.4 | Very high | 96.1 | Very high | 63 Ų | 63 | 90.3 Ų | 90.3 | 38% | 0.382 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -74.7 | -43 | -178.9 | 171.1 | 0 | 0 | 0 | 0 | 111.6 | Y47 T48 G49 | Y47-V51 HydrophobicContact CD2-CG2 4.1Å; Y47-V51 HydrophobicContact CE1-CG2 4.14Å; Y47-V51 HydrophobicContact CE2-CG2 3.69Å; Y47-V51 WeakPolarHBondContact O-CB 3.3Å; Y47-V51 VanDerWaalsContact O-CG2 3.3Å; Y47-V51 WeakPolarHBondContact O-CG2 3.45Å; Y47-V51 PolarHBondContact O-N 3.03Å; T48-V51 PolarHBondContact O-N 3.03Å; G49-V51 PolarHBondContact O-N 3.01Å |
| 52 | F | 95.4 | Very high | 95.9 | Very high | 115 Ų | 115 | 91.9 Ų | 91.9 | 50% | 0.504 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -94 | -31 | -172.8 | -61.6 | -65.4 | 0 | 0 | 0 | 113.7 | T48 P54 Q55 H56 | T48-F52 HydrophobicContact CG2-CD2 4.45Å; T48-F52 HydrophobicContact CG2-CE2 4.13Å; T48-F52 WeakPolarHBondContact O-CB 3.01Å; T48-F52 WeakPolarHBondContact O-CD2 3.21Å; T48-F52 PolarHBondContact O-N 2.88Å; F52-P54 VanDerWaalsContact C-CD 3.48Å; F52-Q55 PolarHBondContact O-N 3.23Å; F52-H56 PolarHBondContact O-CD2 2.85Å; F52-H56 PolarHBondContact O-N 3.46Å |
| 53 | M | 94.9 | Very high | 95.7 | Very high | 114 Ų | 114 | 98.6 Ų | 98.6 | 56% | 0.562 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -57.1 | -43.8 | -179.9 | -88.3 | -135 | -116.9 | 0 | 0 | 114.4 | G49 Q55 H56 I57 | G49-M53 WeakPolarHBondContact O-CA 3.32Å; G49-M53 WeakPolarHBondContact O-CB 3.45Å; G49-M53 WeakPolarHBondContact O-CG 3.2Å; G49-M53 PolarHBondContact O-N 3.09Å; M53-Q55 VanDerWaalsContact C-N 3.26Å; M53-Q55 PolarHBondContact O-N 3.44Å; M53-H56 CarbonylContact O-C 3.58Å; M53-H56 PolarHBondContact O-N 3.43Å; M53-I57 HydrophobicContact CB-CD1 4.04Å; M53-I57 WeakPolarHBondContact O-CB 3.01Å; M53-I57 VanDerWaalsContact O-CG1 3.29Å; M53-I57 WeakPolarHBondContact O-CG1 3.41Å; M53-I57 PolarHBondContact O-N 3.38Å; M53-I57 HydrophobicContact SD-CD1 4Å |
| 54 | P | 94.6 | Very high | 95.5 | Very high | 64 Ų | 64 | 102.9 Ų | 102.9 | 42% | 0.416 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -57.8 | -41 | -173.8 | -26.7 | 35.1 | 0 | 0 | 0 | 112.6 | Y50 F52 I57 M58 | Y50-P54 WeakPolarHBondContact O-CD 3.5Å; Y50-P54 WeakPolarHBondContact O-CG 3.15Å; F52-P54 VanDerWaalsContact C-CD 3.48Å; P54-I57 PolarHBondContact O-N 3.11Å; P54-M58 WeakPolarHBondContact O-CB 3.44Å; P54-M58 VanDerWaalsContact O-CG 3.27Å; P54-M58 WeakPolarHBondContact O-CG 3.48Å; P54-M58 PolarHBondContact O-N 3.34Å |
| 55 | Q | 93.7 | Very high | 95.1 | Very high | 147 Ų | 147 | 105.8 Ų | 105.8 | 69% | 0.687 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.8 | -43.3 | 176.2 | -175.4 | 179.4 | -27.4 | 0 | 0 | 111.5 | F52 M53 M58 A59 | F52-Q55 PolarHBondContact O-N 3.23Å; M53-Q55 VanDerWaalsContact C-N 3.26Å; M53-Q55 PolarHBondContact O-N 3.44Å; Q55-M58 PolarHBondContact O-N 3.22Å; Q55-A59 WeakPolarHBondContact O-CB 3.48Å; Q55-A59 PolarHBondContact O-N 3.03Å |
| 56 | H | 93.5 | Very high | 94.6 | Very high | 111 Ų | 111 | 107.9 Ų | 107.9 | 51% | 0.514 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.4 | -41.5 | 176.9 | -65.8 | -55.7 | 0 | 0 | 0 | 112.3 | F52 M53 A59 I60 | F52-H56 PolarHBondContact O-CD2 2.85Å; F52-H56 PolarHBondContact O-N 3.46Å; M53-H56 CarbonylContact O-C 3.58Å; M53-H56 PolarHBondContact O-N 3.43Å; H56-A59 PolarHBondContact O-N 3.38Å; H56-I60 WeakPolarHBondContact O-CB 3.47Å; H56-I60 WeakPolarHBondContact O-CD1 3.29Å; H56-I60 WeakPolarHBondContact O-CG1 3.33Å; H56-I60 PolarHBondContact O-N 3.13Å |
| 57 | I | 94.9 | Very high | 93.6 | Very high | 76 Ų | 76 | 105.4 Ų | 105.4 | 39% | 0.39 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62 | -46.6 | 176.4 | -68.3 | 167.4 | 0 | 0 | 0 | 110.1 | M53 P54 A59 I60 L61 | M53-I57 HydrophobicContact CB-CD1 4.04Å; M53-I57 WeakPolarHBondContact O-CB 3.01Å; M53-I57 VanDerWaalsContact O-CG1 3.29Å; M53-I57 WeakPolarHBondContact O-CG1 3.41Å; M53-I57 PolarHBondContact O-N 3.38Å; M53-I57 HydrophobicContact SD-CD1 4Å; P54-I57 PolarHBondContact O-N 3.11Å; I57-A59 PolarHBondContact O-N 3.12Å; I57-I60 PolarHBondContact O-N 3.42Å; I57-L61 HydrophobicContact CG2-CD1 3.86Å; I57-L61 HydrophobicContact CG2-CG 4.26Å; I57-L61 VanDerWaalsContact O-CG 3.29Å; I57-L61 WeakPolarHBondContact O-CG 3.45Å; I57-L61 PolarHBondContact O-N 3.12Å |
| 58 | M | 94 | Very high | 92.2 | Very high | 116 Ų | 116 | 110.3 Ų | 110.3 | 57% | 0.571 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.9 | -41.8 | 178.1 | -71.8 | -63.5 | 171.1 | 0 | 0 | 112.4 | P54 Q55 I60 L61 H62 | P54-M58 WeakPolarHBondContact O-CB 3.44Å; P54-M58 VanDerWaalsContact O-CG 3.27Å; P54-M58 WeakPolarHBondContact O-CG 3.48Å; P54-M58 PolarHBondContact O-N 3.34Å; Q55-M58 PolarHBondContact O-N 3.22Å; M58-I60 VanDerWaalsContact C-N 3.3Å; M58-I60 PolarHBondContact O-N 3.42Å; M58-L61 PolarHBondContact O-N 3.48Å; M58-L61 HydrophobicContact SD-CD1 4.28Å; M58-H62 WeakPolarHBondContact O-CB 3.27Å; M58-H62 PolarHBondContact O-N 3.11Å |
| 59 | A | 93.8 | Very high | 92 | Very high | 63 Ų | 63 | 112.8 Ų | 112.8 | 52% | 0.521 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.8 | -40.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | Q55 H56 I57 Y63 | Q55-A59 WeakPolarHBondContact O-CB 3.48Å; Q55-A59 PolarHBondContact O-N 3.03Å; H56-A59 PolarHBondContact O-N 3.38Å; I57-A59 PolarHBondContact O-N 3.12Å; A59-Y63 WeakPolarHBondContact O-CB 3.46Å; A59-Y63 PolarHBondContact O-N 2.95Å |
| 60 | I | 94.7 | Very high | 91.7 | Very high | 92 Ų | 92 | 117.5 Ų | 117.5 | 47% | 0.472 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66 | -45.1 | 175.8 | -69.2 | 164.5 | 0 | 0 | 0 | 110.9 | H56 I57 M58 H62 Y63 F64 | H56-I60 WeakPolarHBondContact O-CB 3.47Å; H56-I60 WeakPolarHBondContact O-CD1 3.29Å; H56-I60 WeakPolarHBondContact O-CG1 3.33Å; H56-I60 PolarHBondContact O-N 3.13Å; I57-I60 PolarHBondContact O-N 3.42Å; M58-I60 VanDerWaalsContact C-N 3.3Å; M58-I60 PolarHBondContact O-N 3.42Å; I60-H62 VanDerWaalsContact C-N 3.33Å; I60-H62 PolarHBondContact O-N 3.28Å; I60-Y63 WeakPolarHBondContact O-CB 3.29Å; I60-Y63 PolarHBondContact O-N 3.47Å; I60-F64 HydrophobicContact CG2-CD2 3.65Å; I60-F64 HydrophobicContact CG2-CE2 3.57Å; I60-F64 WeakPolarHBondContact O-CD2 3.19Å; I60-F64 PolarHBondContact O-N 2.93Å; I60-F64 VanDerWaalsContact O-N 3.09Å |
| 61 | L | 95.3 | Very high | 91.5 | Very high | 52 Ų | 52 | 113.8 Ų | 113.8 | 27% | 0.272 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.6 | -39.6 | 179.5 | -71.4 | 172.9 | 0 | 0 | 0 | 112.3 | I57 M58 F64 E65 V66 V67 | I57-L61 HydrophobicContact CG2-CD1 3.86Å; I57-L61 HydrophobicContact CG2-CG 4.26Å; I57-L61 VanDerWaalsContact O-CG 3.29Å; I57-L61 WeakPolarHBondContact O-CG 3.45Å; I57-L61 PolarHBondContact O-N 3.12Å; M58-L61 PolarHBondContact O-N 3.48Å; M58-L61 HydrophobicContact SD-CD1 4.28Å; L61-F64 PolarHBondContact O-N 2.86Å; L61-E65 PolarHBondContact O-N 3.35Å; L61-V66 HydrophobicContact CD2-CB 4.15Å; L61-V66 HydrophobicContact CD2-CG1 4.08Å; L61-V66 PolarHBondContact O-N 3.39Å; L61-V67 HydrophobicContact CB-CG2 4.42Å; L61-V67 HydrophobicContact CD1-CG2 4.47Å |
| 62 | H | 93.6 | Very high | 91.1 | Very high | 123 Ų | 123 | 116.8 Ų | 116.8 | 57% | 0.569 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -68.6 | -38.5 | 175.3 | -172.6 | -105.2 | 0 | 0 | 0 | 111.8 | M58 I60 F64 E65 | M58-H62 WeakPolarHBondContact O-CB 3.27Å; M58-H62 PolarHBondContact O-N 3.11Å; I60-H62 VanDerWaalsContact C-N 3.33Å; I60-H62 PolarHBondContact O-N 3.28Å; H62-F64 VanDerWaalsContact C-N 3.27Å; H62-F64 PolarHBondContact O-N 3.07Å; H62-E65 PolarHBondContact O-N 3.26Å; H62-E65 VanDerWaalsContact O-N 3.12Å |
| 63 | Y | 93.3 | Very high | 90.8 | Very high | 183 Ų | 183 | 116.9 Ų | 116.9 | 72% | 0.718 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -60.4 | -35.3 | 173.7 | 175.1 | -96.8 | 0 | 0 | 0 | 112.9 | A59 I60 E65 | A59-Y63 WeakPolarHBondContact O-CB 3.46Å; A59-Y63 PolarHBondContact O-N 2.95Å; I60-Y63 WeakPolarHBondContact O-CB 3.29Å; I60-Y63 PolarHBondContact O-N 3.47Å; Y63-E65 VanDerWaalsContact C-N 3.33Å |
| 64 | F | 95.2 | Very high | 90.6 | Very high | 136 Ų | 136 | 117.1 Ų | 117.1 | 60% | 0.596 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 6.3 | 177.2 | -70.8 | -62.6 | 0 | 0 | 0 | 114.2 | I60 L61 H62 V66 | I60-F64 HydrophobicContact CG2-CD2 3.65Å; I60-F64 HydrophobicContact CG2-CE2 3.57Å; I60-F64 WeakPolarHBondContact O-CD2 3.19Å; I60-F64 PolarHBondContact O-N 2.93Å; I60-F64 VanDerWaalsContact O-N 3.09Å; L61-F64 PolarHBondContact O-N 2.86Å; H62-F64 VanDerWaalsContact C-N 3.27Å; H62-F64 PolarHBondContact O-N 3.07Å; F64-V66 HydrophobicContact CB-CG2 3.86Å; F64-V66 PolarHBondContact O-N 3.04Å |
| 65 | E | 88.9 | Confident | 90.3 | Very high | 174 Ų | 174 | 120.9 Ų | 120.9 | 81% | 0.813 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 55.1 | 21.9 | -177.7 | -55.7 | -177.3 | 161.4 | 0 | 0 | 114 | L61 H62 Y63 V67 | L61-E65 PolarHBondContact O-N 3.35Å; H62-E65 PolarHBondContact O-N 3.26Å; H62-E65 VanDerWaalsContact O-N 3.12Å; Y63-E65 VanDerWaalsContact C-N 3.33Å; E65-V67 VanDerWaalsContact C-N 3.32Å |
| 66 | V | 88.1 | Confident | 90 | Very high | 103 Ų | 103 | 118.8 Ų | 118.8 | 62% | 0.624 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -74.6 | -28.6 | 179.3 | 176.9 | 0 | 0 | 0 | 0 | 111 | L61 F64 | L61-V66 HydrophobicContact CD2-CB 4.15Å; L61-V66 HydrophobicContact CD2-CG1 4.08Å; L61-V66 PolarHBondContact O-N 3.39Å; F64-V66 HydrophobicContact CB-CG2 3.86Å; F64-V66 PolarHBondContact O-N 3.04Å |
| 67 | V | 76.7 | Confident | 89.7 | Confident | 73 Ų | 73 | 119.5 Ų | 119.5 | 44% | 0.442 | 59% | 0.594 | S | S | . | * | trans | -125.2 | 127 | 173.4 | 171 | 0 | 0 | 0 | 0 | 106.9 | L61 E65 | L61-V67 HydrophobicContact CB-CG2 4.42Å; L61-V67 HydrophobicContact CD1-CG2 4.47Å; E65-V67 VanDerWaalsContact C-N 3.32Å | ||
| 68 | Q | 68.7 | Low | 89.3 | Confident | 243 Ų | 243 | 123.5 Ų | 123.5 | 100% | 1.136 | 61% | 0.612 | S | S | * | * | trans | -79.9 | 0 | -179.8 | -63.9 | -166.3 | -79.8 | 0 | 0 | 112.6 |
Retrieved 68 of 68 residues in 98.6 ms
(Link to these results)