| 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 | 54.3 | Low | 78.4 | Confident | 195 Ų | 195 | 93.1 Ų | 93.1 | 96% | 0.961 | 48% | 0.484 | S | S | * | . | 0 | -44.6 | 0 | -77 | -174.8 | -170.9 | 0 | 0 | 115 | L3 R5 E232 | M1-L3 PolarHBondContact O-N 3.48Å; M1-R5 PolarHBondContact O-N 3.49Å; M1-E232 WeakPolarHBondContact CE-OE1 3.49Å | |||
| 2 | R | 62.4 | Low | 79.4 | Confident | 234 Ų | 234 | 85.8 Ų | 85.8 | 88% | 0.883 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -59.4 | -40.2 | -174.5 | -79 | -176.9 | 176.1 | 174 | -1.1 | 115.4 | A6 | R2-A6 WeakPolarHBondContact O-CB 3.49Å; R2-A6 PolarHBondContact O-N 2.75Å |
| 3 | L | 70.4 | Confident | 80.3 | Confident | 153 Ų | 153 | 84.8 Ų | 84.8 | 80% | 0.801 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -66 | -44 | -176.5 | -163.3 | 77.1 | 0 | 0 | 0 | 112.8 | M1 R5 A6 A7 | M1-L3 PolarHBondContact O-N 3.48Å; L3-R5 PolarHBondContact O-N 3.22Å; L3-A6 PolarHBondContact O-N 3.46Å; L3-A7 WeakPolarHBondContact O-CB 3.45Å; L3-A7 PolarHBondContact O-N 3.35Å |
| 4 | G | 76.8 | Confident | 81.4 | Confident | 25 Ų | 25 | 81 Ų | 81 | 26% | 0.258 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A7 W8 | G4-A7 PolarHBondContact O-N 3.37Å; G4-W8 WeakPolarHBondContact O-CB 3.47Å; G4-W8 PolarHBondContact O-N 3.08Å |
| 5 | R | 76.5 | Confident | 82.4 | Confident | 134 Ų | 134 | 75.6 Ų | 75.6 | 51% | 0.506 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.2 | -40.5 | 175.2 | -172.2 | 173.9 | 176.3 | -175.5 | -3.8 | 112.2 | M1 L3 W8 I9 | M1-R5 PolarHBondContact O-N 3.49Å; L3-R5 PolarHBondContact O-N 3.22Å; R5-W8 PolarHBondContact O-N 3.2Å; R5-I9 HydrophobicContact CG-CD1 4.16Å; R5-I9 VanDerWaalsContact O-CG1 3.31Å; R5-I9 WeakPolarHBondContact O-CG1 3.4Å; R5-I9 PolarHBondContact O-N 2.98Å |
| 6 | A | 82.9 | Confident | 83.1 | Confident | 63 Ų | 63 | 73.8 Ų | 73.8 | 52% | 0.521 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.6 | -43.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R2 L3 I9 G10 | R2-A6 WeakPolarHBondContact O-CB 3.49Å; R2-A6 PolarHBondContact O-N 2.75Å; L3-A6 PolarHBondContact O-N 3.46Å; A6-I9 PolarHBondContact O-N 2.99Å; A6-G10 PolarHBondContact O-N 3.49Å |
| 7 | A | 86.3 | Confident | 83.9 | Confident | 31 Ų | 31 | 75.3 Ų | 75.3 | 26% | 0.256 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L3 G4 I9 G10 L11 F225 | L3-A7 WeakPolarHBondContact O-CB 3.45Å; L3-A7 PolarHBondContact O-N 3.35Å; G4-A7 PolarHBondContact O-N 3.37Å; A7-I9 PolarHBondContact O-N 3Å; A7-G10 PolarHBondContact O-N 3.11Å; A7-L11 WeakPolarHBondContact O-CB 3.38Å; A7-L11 WeakPolarHBondContact O-CD1 3.48Å; A7-L11 VanDerWaalsContact O-CG 3.28Å; A7-L11 WeakPolarHBondContact O-CG 3.44Å; A7-L11 PolarHBondContact O-N 2.81Å; A7-F225 HydrophobicContact CB-CD1 4.24Å; A7-F225 HydrophobicContact CB-CD2 4.25Å; A7-F225 HydrophobicContact CB-CE1 4.5Å; A7-F225 HydrophobicContact CB-CE2 4.47Å; A7-F225 HydrophobicContact CB-CG 4.12Å |
| 8 | W | 85.7 | Confident | 84.6 | Confident | 37 Ų | 37 | 72 Ų | 72 | 14% | 0.14 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.8 | -47.4 | 177.6 | -176.5 | 91.5 | 0 | 0 | 0 | 112.3 | G4 R5 N12 L124 A139 F225 E226 | G4-W8 WeakPolarHBondContact O-CB 3.47Å; G4-W8 PolarHBondContact O-N 3.08Å; R5-W8 PolarHBondContact O-N 3.2Å; W8-N12 VanDerWaalsContact CD2-ND2 3.32Å; W8-N12 WeakPolarHBondContact CZ2-ND2 3.38Å; W8-N12 PolarHBondContact NE1-ND2 3.46Å; W8-N12 PolarHBondContact O-N 3.04Å; W8-N12 VanDerWaalsContact O-N 3.13Å; W8-N12 PolarHBondContact O-ND2 3.45Å; W8-L124 HydrophobicContact CH2-CD1 4.28Å; W8-L124 HydrophobicContact CH2-CD2 3.82Å; W8-L124 HydrophobicContact CZ2-CD2 3.78Å; W8-A139 HydrophobicContact CH2-CB 4.45Å; W8-A139 HydrophobicContact CZ2-CB 3.86Å; W8-F225 HydrophobicContact CB-CB 4.41Å; W8-E226 VanDerWaalsContact CD1-OE2 3.3Å; W8-E226 WeakPolarHBondContact CZ2-OE2 3.17Å; W8-E226 PolarHBondContact NE1-OE2 2.8Å |
| 9 | I | 85.9 | Confident | 85.2 | Confident | 79 Ų | 79 | 68.2 Ų | 68.2 | 41% | 0.405 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.6 | -50.5 | 177.3 | -65.3 | 170.7 | 0 | 0 | 0 | 109.4 | R5 A6 A7 L11 N12 T13 | R5-I9 HydrophobicContact CG-CD1 4.16Å; R5-I9 VanDerWaalsContact O-CG1 3.31Å; R5-I9 WeakPolarHBondContact O-CG1 3.4Å; R5-I9 PolarHBondContact O-N 2.98Å; A6-I9 PolarHBondContact O-N 2.99Å; A7-I9 PolarHBondContact O-N 3Å; I9-L11 VanDerWaalsContact C-N 3.34Å; I9-L11 PolarHBondContact O-N 2.61Å; I9-N12 PolarHBondContact O-N 3.5Å; I9-T13 WeakPolarHBondContact O-CB 3.35Å; I9-T13 PolarHBondContact O-N 2.91Å; I9-T13 PolarHBondContact O-OG1 3.05Å |
| 10 | G | 89.5 | Confident | 85.8 | Confident | 41 Ų | 41 | 70.3 Ų | 70.3 | 42% | 0.423 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -58.1 | -42.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A6 A7 A14 | A6-G10 PolarHBondContact O-N 3.49Å; A7-G10 PolarHBondContact O-N 3.11Å; G10-A14 WeakPolarHBondContact O-CB 3.48Å; G10-A14 PolarHBondContact O-N 3.34Å |
| 11 | L | 92.1 | Very high | 86.4 | Confident | 32 Ų | 32 | 70 Ų | 70 | 17% | 0.168 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -70.1 | -42.9 | 179.9 | -73 | 165.7 | 0 | 0 | 0 | 112.7 | A7 I9 A14 S15 F218 I221 A222 F225 | A7-L11 WeakPolarHBondContact O-CB 3.38Å; A7-L11 WeakPolarHBondContact O-CD1 3.48Å; A7-L11 VanDerWaalsContact O-CG 3.28Å; A7-L11 WeakPolarHBondContact O-CG 3.44Å; A7-L11 PolarHBondContact O-N 2.81Å; I9-L11 VanDerWaalsContact C-N 3.34Å; I9-L11 PolarHBondContact O-N 2.61Å; L11-A14 PolarHBondContact O-N 3.09Å; L11-S15 PolarHBondContact O-N 2.9Å; L11-F218 HydrophobicContact CD2-CB 4.35Å; L11-F218 HydrophobicContact CD2-CD1 3.96Å; L11-F218 HydrophobicContact CD2-CG 4.45Å; L11-I221 HydrophobicContact CD1-CB 4.32Å; L11-I221 HydrophobicContact CD1-CG2 3.68Å; L11-I221 HydrophobicContact CD2-CG2 4.5Å; L11-A222 HydrophobicContact CB-CB 3.75Å; L11-A222 HydrophobicContact CD1-CB 4.31Å; L11-F225 HydrophobicContact CD1-CD2 3.57Å; L11-F225 HydrophobicContact CD1-CE2 3.63Å |
| 12 | N | 90.2 | Very high | 88.4 | Confident | 6 Ų | 6 | 60.8 Ų | 60.8 | 3% | 0.032 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 175.1 | -77.7 | -72.8 | 0 | 0 | 0 | 111.2 | W8 I9 A14 S15 Y16 A222 | W8-N12 VanDerWaalsContact CD2-ND2 3.32Å; W8-N12 WeakPolarHBondContact CZ2-ND2 3.38Å; W8-N12 PolarHBondContact NE1-ND2 3.46Å; W8-N12 PolarHBondContact O-N 3.04Å; W8-N12 VanDerWaalsContact O-N 3.13Å; W8-N12 PolarHBondContact O-ND2 3.45Å; I9-N12 PolarHBondContact O-N 3.5Å; N12-A14 PolarHBondContact O-N 3.06Å; N12-S15 WeakPolarHBondContact O-CB 3.28Å; N12-S15 PolarHBondContact O-N 2.98Å; N12-Y16 HydrophobicContact CB-CE2 4.48Å; N12-Y16 WeakPolarHBondContact O-CD2 3.39Å; N12-Y16 PolarHBondContact O-N 2.9Å; N12-A222 WeakPolarHBondContact ND2-CB 3.21Å |
| 13 | T | 91.5 | Very high | 90.1 | Very high | 73 Ų | 73 | 50.5 Ų | 50.5 | 45% | 0.448 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.7 | -43.6 | 175.8 | -54.7 | 0 | 0 | 0 | 0 | 111.5 | I9 S15 Y16 I17 | I9-T13 WeakPolarHBondContact O-CB 3.35Å; I9-T13 PolarHBondContact O-N 2.91Å; I9-T13 PolarHBondContact O-OG1 3.05Å; T13-S15 VanDerWaalsContact C-N 3.32Å; T13-S15 PolarHBondContact O-N 3.42Å; T13-Y16 PolarHBondContact O-N 3.25Å; T13-I17 HydrophobicContact CG2-CD1 4.2Å; T13-I17 WeakPolarHBondContact O-CG1 3.24Å; T13-I17 PolarHBondContact O-N 3.47Å |
| 14 | A | 95.3 | Very high | 91.4 | Very high | 31 Ų | 31 | 45.3 Ų | 45.3 | 26% | 0.256 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.6 | -41.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | G10 L11 N12 I17 C18 F218 | G10-A14 WeakPolarHBondContact O-CB 3.48Å; G10-A14 PolarHBondContact O-N 3.34Å; L11-A14 PolarHBondContact O-N 3.09Å; N12-A14 PolarHBondContact O-N 3.06Å; A14-I17 PolarHBondContact O-N 2.63Å; A14-C18 PolarHBondContact O-N 3.28Å; A14-C18 PolarHBondContact O-SG 3.3Å; A14-C18 VanDerWaalsContact O-SG 3.4Å; A14-F218 HydrophobicContact CB-CD2 3.91Å; A14-F218 HydrophobicContact CB-CE2 4.19Å; A14-F218 HydrophobicContact CB-CG 4.42Å |
| 15 | S | 95.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.7 | -50.5 | 174.5 | -171 | 0 | 0 | 0 | 0 | 112.2 | L11 N12 T13 I17 C18 E19 G215 Q219 | L11-S15 PolarHBondContact O-N 2.9Å; N12-S15 WeakPolarHBondContact O-CB 3.28Å; N12-S15 PolarHBondContact O-N 2.98Å; T13-S15 VanDerWaalsContact C-N 3.32Å; T13-S15 PolarHBondContact O-N 3.42Å; S15-I17 VanDerWaalsContact C-N 3.26Å; S15-I17 PolarHBondContact O-N 2.79Å; S15-C18 CarbonylContact O-C 3.55Å; S15-C18 WeakPolarHBondContact O-CA 3.32Å; S15-C18 WeakPolarHBondContact O-CB 3.29Å; S15-C18 PolarHBondContact O-N 3.05Å; S15-E19 WeakPolarHBondContact O-CG 3.33Å; S15-E19 PolarHBondContact O-N 3.31Å; S15-E19 PolarHBondContact OG-OE1 3.07Å; S15-G215 VanDerWaalsContact OG-C 3.26Å; S15-G215 WeakPolarHBondContact OG-CA 3.25Å; S15-G215 PolarHBondContact OG-O 2.82Å; S15-Q219 WeakPolarHBondContact OG-CG 3.38Å; S15-Q219 PolarHBondContact OG-NE2 3.45Å |
| 16 | Y | 94.1 | Very high | 93.3 | Very high | 46 Ų | 46 | 39.8 Ų | 39.8 | 18% | 0.18 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.5 | -35.9 | 179.9 | -75.3 | -58.5 | 0 | 0 | 0 | 112.5 | N12 T13 E19 L20 I117 T120 C121 L124 | N12-Y16 HydrophobicContact CB-CE2 4.48Å; N12-Y16 WeakPolarHBondContact O-CD2 3.39Å; N12-Y16 PolarHBondContact O-N 2.9Å; T13-Y16 PolarHBondContact O-N 3.25Å; Y16-E19 PolarHBondContact O-N 3.32Å; Y16-L20 WeakPolarHBondContact O-CB 3.42Å; Y16-L20 VanDerWaalsContact O-CG 3.3Å; Y16-L20 WeakPolarHBondContact O-CG 3.46Å; Y16-L20 PolarHBondContact O-N 2.94Å; Y16-I117 HydrophobicContact CD1-CG2 4.45Å; Y16-I117 HydrophobicContact CE1-CG2 4.43Å; Y16-T120 VanDerWaalsContact OH-CB 3.31Å; Y16-T120 WeakPolarHBondContact OH-CB 3.29Å; Y16-T120 PolarHBondContact OH-OG1 2.89Å; Y16-C121 PolarHBondContact OH-N 3.23Å; Y16-L124 HydrophobicContact CE2-CD1 4.17Å; Y16-L124 WeakPolarHBondContact OH-CD1 3.33Å |
| 17 | I | 96.3 | Very high | 93.9 | Very high | 100 Ų | 100 | 40.7 Ų | 40.7 | 51% | 0.513 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.4 | -48 | 172.7 | -67.6 | 166.3 | 0 | 0 | 0 | 110 | T13 A14 S15 E19 L20 V21 | T13-I17 HydrophobicContact CG2-CD1 4.2Å; T13-I17 WeakPolarHBondContact O-CG1 3.24Å; T13-I17 PolarHBondContact O-N 3.47Å; A14-I17 PolarHBondContact O-N 2.63Å; S15-I17 VanDerWaalsContact C-N 3.26Å; S15-I17 PolarHBondContact O-N 2.79Å; I17-E19 VanDerWaalsContact C-N 3.31Å; I17-E19 PolarHBondContact O-N 2.86Å; I17-L20 PolarHBondContact O-N 2.91Å; I17-V21 HydrophobicContact CG2-CG2 4.36Å; I17-V21 VanDerWaalsContact O-CG2 3.26Å; I17-V21 WeakPolarHBondContact O-CG2 3.23Å; I17-V21 PolarHBondContact O-N 2.85Å |
| 18 | C | 97.1 | Very high | 94.4 | Very high | 16 Ų | 16 | 40.7 Ų | 40.7 | 11% | 0.108 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59 | -41.5 | 176.8 | -71 | 0 | 0 | 0 | 0 | 112.5 | A14 S15 V21 F22 L211 | A14-C18 PolarHBondContact O-N 3.28Å; A14-C18 PolarHBondContact O-SG 3.3Å; A14-C18 VanDerWaalsContact O-SG 3.4Å; S15-C18 CarbonylContact O-C 3.55Å; S15-C18 WeakPolarHBondContact O-CA 3.32Å; S15-C18 WeakPolarHBondContact O-CB 3.29Å; S15-C18 PolarHBondContact O-N 3.05Å; C18-V21 PolarHBondContact O-N 2.92Å; C18-F22 VanDerWaalsContact O-CB 3.31Å; C18-F22 WeakPolarHBondContact O-CB 3.11Å; C18-F22 PolarHBondContact O-N 3.48Å; C18-L211 HydrophobicContact CB-CD2 4.33Å; C18-L211 WeakPolarHBondContact CB-O 3.39Å |
| 19 | E | 96.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.4 | -42.3 | 178.9 | -69.1 | 163.8 | -122.1 | 0 | 0 | 112.3 | S15 Y16 I17 F22 L23 V113 I117 L150 Q219 | S15-E19 WeakPolarHBondContact O-CG 3.33Å; S15-E19 PolarHBondContact O-N 3.31Å; S15-E19 PolarHBondContact OG-OE1 3.07Å; Y16-E19 PolarHBondContact O-N 3.32Å; I17-E19 VanDerWaalsContact C-N 3.31Å; I17-E19 PolarHBondContact O-N 2.86Å; E19-F22 WeakPolarHBondContact O-CB 3.42Å; E19-F22 PolarHBondContact O-N 2.9Å; E19-L23 WeakPolarHBondContact O-CG 3.13Å; E19-L23 PolarHBondContact O-N 3.42Å; E19-V113 HydrophobicContact CB-CG1 4.27Å; E19-I117 HydrophobicContact CB-CD1 3.92Å; E19-I117 HydrophobicContact CB-CG1 4.04Å; E19-I117 WeakPolarHBondContact OE2-CG1 3.11Å; E19-L150 VanDerWaalsContact CD-CD1 3.47Å; E19-L150 HydrophobicContact CG-CD1 3.85Å; E19-L150 HydrophobicContact CG-CD2 3.98Å; E19-L150 WeakPolarHBondContact OE1-CD1 3.12Å; E19-Q219 PolarHBondContact OE1-NE2 3.37Å |
| 20 | L | 96.8 | Very high | 95.2 | Very high | 110 Ų | 110 | 35.7 Ų | 35.7 | 58% | 0.576 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -66.5 | -42.1 | 176.3 | -72.4 | 173.4 | 0 | 0 | 0 | 111.9 | Y16 I17 F22 L23 G24 I117 | Y16-L20 WeakPolarHBondContact O-CB 3.42Å; Y16-L20 VanDerWaalsContact O-CG 3.3Å; Y16-L20 WeakPolarHBondContact O-CG 3.46Å; Y16-L20 PolarHBondContact O-N 2.94Å; I17-L20 PolarHBondContact O-N 2.91Å; L20-F22 VanDerWaalsContact C-N 3.35Å; L20-L23 PolarHBondContact O-N 2.91Å; L20-G24 PolarHBondContact O-N 3.07Å; L20-G24 VanDerWaalsContact O-N 3.1Å; L20-I117 HydrophobicContact CD2-CD1 4.48Å |
| 21 | V | 97.7 | Very high | 95.4 | Very high | 65 Ų | 65 | 39 Ų | 39 | 39% | 0.394 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66.6 | -40 | 175.8 | -179.1 | 0 | 0 | 0 | 0 | 110.1 | I17 C18 L23 G24 L25 L211 | I17-V21 HydrophobicContact CG2-CG2 4.36Å; I17-V21 VanDerWaalsContact O-CG2 3.26Å; I17-V21 WeakPolarHBondContact O-CG2 3.23Å; I17-V21 PolarHBondContact O-N 2.85Å; C18-V21 PolarHBondContact O-N 2.92Å; V21-L23 PolarHBondContact O-N 3.4Å; V21-G24 PolarHBondContact O-N 3.5Å; V21-L25 HydrophobicContact CG1-CD1 4.06Å; V21-L25 HydrophobicContact CG1-CG 4.16Å; V21-L25 WeakPolarHBondContact O-CG 3.41Å; V21-L25 PolarHBondContact O-N 2.7Å; V21-L211 HydrophobicContact CB-CD1 4.01Å; V21-L211 HydrophobicContact CG1-CD1 3.47Å; V21-L211 VanDerWaalsContact CG1-CD1 3.47Å |
| 22 | F | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -54.1 | -50.7 | 171.5 | 165 | -94.2 | 0 | 0 | 0 | 111.4 | C18 E19 L20 G24 L25 A26 V113 Y157 A208 L211 I212 | C18-F22 VanDerWaalsContact O-CB 3.31Å; C18-F22 WeakPolarHBondContact O-CB 3.11Å; C18-F22 PolarHBondContact O-N 3.48Å; E19-F22 WeakPolarHBondContact O-CB 3.42Å; E19-F22 PolarHBondContact O-N 2.9Å; L20-F22 VanDerWaalsContact C-N 3.35Å; F22-G24 VanDerWaalsContact C-N 3.32Å; F22-G24 PolarHBondContact O-N 2.92Å; F22-L25 PolarHBondContact O-N 3.3Å; F22-A26 HydrophobicContact CD2-CB 4.42Å; F22-A26 HydrophobicContact CE1-CB 4.27Å; F22-A26 HydrophobicContact CE2-CB 4.05Å; F22-A26 HydrophobicContact CZ-CB 3.97Å; F22-A26 WeakPolarHBondContact O-CB 3.47Å; F22-A26 PolarHBondContact O-N 3.05Å; F22-V113 HydrophobicContact CD1-CB 4.07Å; F22-V113 HydrophobicContact CD1-CG1 3.87Å; F22-V113 HydrophobicContact CD1-CG2 3.82Å; F22-V113 HydrophobicContact CE1-CB 3.85Å; F22-V113 HydrophobicContact CE1-CG1 4.19Å; F22-V113 HydrophobicContact CE1-CG2 3.41Å; F22-V113 VanDerWaalsContact CE1-CG2 3.41Å; F22-V113 HydrophobicContact CZ-CG2 4.19Å; F22-Y157 HydrophobicContact CE2-CD1 4.23Å; F22-Y157 HydrophobicContact CE2-CD2 4.19Å; F22-Y157 HydrophobicContact CE2-CE1 4.36Å; F22-Y157 HydrophobicContact CE2-CE2 4.33Å; F22-Y157 HydrophobicContact CE2-CG 4.14Å; F22-Y157 HydrophobicContact CZ-CD2 4.06Å; F22-Y157 HydrophobicContact CZ-CE2 4.32Å; F22-Y157 HydrophobicContact CZ-CG 4.33Å; F22-A208 HydrophobicContact CD2-CB 3.74Å; F22-A208 VanDerWaalsContact CD2-O 3.25Å; F22-A208 WeakPolarHBondContact CD2-O 3.28Å; F22-A208 HydrophobicContact CE2-CB 4.12Å; F22-L211 HydrophobicContact CB-CB 4.4Å; F22-I212 HydrophobicContact CD1-CD1 4.5Å; F22-I212 HydrophobicContact CD2-CB 3.85Å; F22-I212 HydrophobicContact CD2-CG2 4.22Å; F22-I212 HydrophobicContact CE1-CD1 4.18Å; F22-I212 HydrophobicContact CE2-CB 4.15Å; F22-I212 HydrophobicContact CE2-CD1 4.18Å; F22-I212 HydrophobicContact CE2-CG2 4.19Å; F22-I212 HydrophobicContact CG-CB 4.17Å; F22-I212 HydrophobicContact CZ-CD1 3.99Å |
| 23 | L | 97.4 | Very high | 95.5 | Very high | 19 Ų | 19 | 40 Ų | 40 | 10% | 0.099 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58 | -45.5 | 179.8 | -73.8 | 176 | 0 | 0 | 0 | 111.5 | E19 L20 V21 I27 I110 V113 F114 I117 | E19-L23 WeakPolarHBondContact O-CG 3.13Å; E19-L23 PolarHBondContact O-N 3.42Å; L20-L23 PolarHBondContact O-N 2.91Å; V21-L23 PolarHBondContact O-N 3.4Å; L23-I27 VanDerWaalsContact O-CB 3.3Å; L23-I27 WeakPolarHBondContact O-CB 3.18Å; L23-I27 WeakPolarHBondContact O-CD1 3.31Å; L23-I27 WeakPolarHBondContact O-CG1 3.45Å; L23-I27 PolarHBondContact O-N 3Å; L23-I110 HydrophobicContact CD2-CG2 3.93Å; L23-I110 WeakPolarHBondContact CD2-O 3.37Å; L23-V113 HydrophobicContact CD2-CB 4.15Å; L23-V113 HydrophobicContact CD2-CG1 4.08Å; L23-V113 HydrophobicContact CG-CG1 4.13Å; L23-F114 HydrophobicContact CD1-CD2 4.25Å; L23-F114 HydrophobicContact CD2-CB 4.42Å; L23-I117 HydrophobicContact CD1-CD1 3.53Å; L23-I117 HydrophobicContact CG-CD1 4.43Å |
| 24 | G | 97 | Very high | 95.5 | Very high | 43 Ų | 43 | 38.8 Ų | 38.8 | 44% | 0.443 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.8 | -49.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L20 V21 F22 A28 | L20-G24 PolarHBondContact O-N 3.07Å; L20-G24 VanDerWaalsContact O-N 3.1Å; V21-G24 PolarHBondContact O-N 3.5Å; F22-G24 VanDerWaalsContact C-N 3.32Å; F22-G24 PolarHBondContact O-N 2.92Å; G24-A28 VanDerWaalsContact O-CB 3.3Å; G24-A28 WeakPolarHBondContact O-CB 3.37Å; G24-A28 PolarHBondContact O-N 3.46Å |
| 25 | L | 97.2 | Very high | 95.5 | Very high | 44 Ų | 44 | 37.4 Ų | 37.4 | 23% | 0.23 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.1 | -41.7 | -179.1 | -63.7 | -175.1 | 0 | 0 | 0 | 112.5 | V21 F22 A28 A29 M204 A208 L211 | V21-L25 HydrophobicContact CG1-CD1 4.06Å; V21-L25 HydrophobicContact CG1-CG 4.16Å; V21-L25 WeakPolarHBondContact O-CG 3.41Å; V21-L25 PolarHBondContact O-N 2.7Å; F22-L25 PolarHBondContact O-N 3.3Å; L25-A28 PolarHBondContact O-N 3.49Å; L25-A29 WeakPolarHBondContact O-CB 3.33Å; L25-A29 PolarHBondContact O-N 3.02Å; L25-M204 HydrophobicContact CB-CG 3.98Å; L25-M204 HydrophobicContact CD2-CE 4.33Å; L25-M204 HydrophobicContact CD2-CG 3.83Å; L25-M204 HydrophobicContact CD2-SD 4.03Å; L25-M204 HydrophobicContact CG-CG 4.32Å; L25-A208 HydrophobicContact CB-CB 3.9Å; L25-L211 HydrophobicContact CD1-CD1 3.77Å |
| 26 | A | 96.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67 | -40.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F22 A29 Q30 I110 Y157 A208 | F22-A26 HydrophobicContact CD2-CB 4.42Å; F22-A26 HydrophobicContact CE1-CB 4.27Å; F22-A26 HydrophobicContact CE2-CB 4.05Å; F22-A26 HydrophobicContact CZ-CB 3.97Å; F22-A26 WeakPolarHBondContact O-CB 3.47Å; F22-A26 PolarHBondContact O-N 3.05Å; A26-A29 PolarHBondContact O-N 2.91Å; A26-Q30 WeakPolarHBondContact O-CB 3.34Å; A26-Q30 PolarHBondContact O-N 3.49Å; A26-I110 HydrophobicContact CB-CD1 3.97Å; A26-I110 HydrophobicContact CB-CG1 3.76Å; A26-Y157 HydrophobicContact CB-CE2 4.1Å; A26-A208 HydrophobicContact CB-CB 4.46Å |
| 27 | I | 96.3 | Very high | 95.1 | Very high | 81 Ų | 81 | 36.2 Ų | 36.2 | 42% | 0.415 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.1 | -45.3 | 173.8 | -68.5 | 167 | 0 | 0 | 0 | 110.5 | L23 A29 Q30 I31 I110 | L23-I27 VanDerWaalsContact O-CB 3.3Å; L23-I27 WeakPolarHBondContact O-CB 3.18Å; L23-I27 WeakPolarHBondContact O-CD1 3.31Å; L23-I27 WeakPolarHBondContact O-CG1 3.45Å; L23-I27 PolarHBondContact O-N 3Å; I27-A29 VanDerWaalsContact C-N 3.34Å; I27-A29 PolarHBondContact O-N 3.35Å; I27-Q30 WeakPolarHBondContact O-CB 3.02Å; I27-Q30 PolarHBondContact O-N 3.38Å; I27-Q30 VanDerWaalsContact O-N 3.11Å; I27-I31 WeakPolarHBondContact O-CG1 3.28Å; I27-I31 PolarHBondContact O-N 2.85Å; I27-I31 VanDerWaalsContact O-N 3.08Å; I27-I110 HydrophobicContact CD1-CG2 4.38Å; I27-I110 HydrophobicContact CG1-CD1 4.29Å; I27-I110 HydrophobicContact CG1-CG2 4.03Å |
| 28 | A | 96 | Very high | 94.7 | Very high | 32 Ų | 32 | 31.6 Ų | 31.6 | 26% | 0.264 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -59.1 | -45.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | G24 L25 Q30 I31 S32 M204 | G24-A28 VanDerWaalsContact O-CB 3.3Å; G24-A28 WeakPolarHBondContact O-CB 3.37Å; G24-A28 PolarHBondContact O-N 3.46Å; L25-A28 PolarHBondContact O-N 3.49Å; A28-Q30 VanDerWaalsContact C-N 3.33Å; A28-Q30 PolarHBondContact O-N 2.9Å; A28-I31 WeakPolarHBondContact O-CG1 3.36Å; A28-I31 PolarHBondContact O-N 3.44Å; A28-S32 WeakPolarHBondContact O-CB 3.31Å; A28-S32 PolarHBondContact O-N 3.34Å; A28-S32 VanDerWaalsContact O-N 3.09Å; A28-M204 HydrophobicContact CB-SD 3.82Å |
| 29 | A | 95.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.8 | -41.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L25 A26 I27 I31 W35 M201 A205 | L25-A29 WeakPolarHBondContact O-CB 3.33Å; L25-A29 PolarHBondContact O-N 3.02Å; A26-A29 PolarHBondContact O-N 2.91Å; I27-A29 VanDerWaalsContact C-N 3.34Å; I27-A29 PolarHBondContact O-N 3.35Å; A29-I31 PolarHBondContact O-N 2.92Å; A29-W35 HydrophobicContact CB-CZ2 3.95Å; A29-W35 PolarHBondContact O-NE1 3.34Å; A29-M201 HydrophobicContact CB-CB 4.47Å; A29-A205 HydrophobicContact CB-CB 4.2Å |
| 30 | Q | 93.6 | Very high | 93.6 | Very high | 11 Ų | 11 | 34.6 Ų | 34.6 | 5% | 0.051 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.4 | -41.7 | -179.9 | -157.3 | 69.9 | 32.7 | 0 | 0 | 113.1 | A26 I27 A28 W59 N103 I107 | A26-Q30 WeakPolarHBondContact O-CB 3.34Å; A26-Q30 PolarHBondContact O-N 3.49Å; I27-Q30 WeakPolarHBondContact O-CB 3.02Å; I27-Q30 PolarHBondContact O-N 3.38Å; I27-Q30 VanDerWaalsContact O-N 3.11Å; A28-Q30 VanDerWaalsContact C-N 3.33Å; A28-Q30 PolarHBondContact O-N 2.9Å; Q30-W59 HydrophobicContact CG-CZ2 3.64Å; Q30-W59 VanDerWaalsContact O-CD1 3.29Å; Q30-W59 PolarHBondContact O-NE1 3.33Å; Q30-N103 PolarHBondContact NE2-OD1 3.13Å; Q30-I107 HydrophobicContact CG-CG1 4.45Å |
| 31 | I | 93.4 | Very high | 92.6 | Very high | 109 Ų | 109 | 32.4 Ų | 32.4 | 56% | 0.559 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -88.8 | -23.1 | -171.7 | 65.7 | -178.5 | 0 | 0 | 0 | 113.5 | I27 A28 A29 K60 | I27-I31 WeakPolarHBondContact O-CG1 3.28Å; I27-I31 PolarHBondContact O-N 2.85Å; I27-I31 VanDerWaalsContact O-N 3.08Å; A28-I31 WeakPolarHBondContact O-CG1 3.36Å; A28-I31 PolarHBondContact O-N 3.44Å; A29-I31 PolarHBondContact O-N 2.92Å; I31-K60 VanDerWaalsContact O-CE 3.25Å; I31-K60 WeakPolarHBondContact O-CE 3.49Å; I31-K60 PolarHBondContact O-NZ 2.83Å |
| 32 | S | 93.1 | Very high | 91.1 | Very high | 26 Ų | 26 | 38.7 Ų | 38.7 | 18% | 0.182 | 21% | 0.212 | C | C | . | . | trans | -77.6 | 135.7 | -172.3 | 176.3 | 0 | 0 | 0 | 0 | 111.7 | A28 D34 M201 | A28-S32 WeakPolarHBondContact O-CB 3.31Å; A28-S32 PolarHBondContact O-N 3.34Å; A28-S32 VanDerWaalsContact O-N 3.09Å; S32-D34 PolarHBondContact O-N 3.31Å; S32-D34 PolarHBondContact OG-N 2.95Å; S32-M201 VanDerWaalsContact CB-CG 3.49Å; S32-M201 WeakPolarHBondContact CB-SD 3.48Å; S32-M201 WeakPolarHBondContact OG-CG 3.17Å; S32-M201 PolarHBondContact OG-SD 2.99Å; S32-M201 VanDerWaalsContact OG-SD 3.41Å | ||
| 33 | P | 91.1 | Very high | 89.4 | Confident | 33 Ų | 33 | 40.4 Ų | 40.4 | 21% | 0.214 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -76.8 | 13 | 173.4 | 34.1 | -34.3 | 0 | 0 | 0 | 113.4 | S55 R56 G57 K60 C62 | P33-S55 CarbonylContact O-C 3.53Å; P33-S55 PolarHBondContact O-OG 3.33Å; P33-R56 VanDerWaalsContact C-C 3.47Å; P33-R56 CarbonylContact O-C 3.52Å; P33-R56 VanDerWaalsContact O-CA 3.23Å; P33-R56 WeakPolarHBondContact O-CA 3.42Å; P33-R56 PolarHBondContact O-N 3.12Å; P33-G57 PolarHBondContact O-N 2.79Å; P33-K60 HydrophobicContact CB-CG 4.26Å; P33-C62 HydrophobicContact CB-CB 4.36Å |
| 34 | D | 92.8 | Very high | 87.9 | Confident | 48 Ų | 48 | 40.9 Ų | 40.9 | 26% | 0.257 | 23% | 0.231 | S | C | . | . | trans | -109.6 | 51.4 | -169.8 | -170.8 | 38.9 | 0 | 0 | 0 | 114.3 | S32 V37 S55 G199 G200 M201 | S32-D34 PolarHBondContact O-N 3.31Å; S32-D34 PolarHBondContact OG-N 2.95Å; D34-V37 WeakPolarHBondContact OD1-CG2 3.45Å; D34-S55 WeakPolarHBondContact CA-OG 3.45Å; D34-S55 PolarHBondContact OD1-OG 3.41Å; D34-G199 CarbonylContact O-C 2.76Å; D34-G199 VanDerWaalsContact O-CA 3.22Å; D34-G199 WeakPolarHBondContact O-CA 3.23Å; D34-G199 WeakPolarHBondContact OD1-CA 3.42Å; D34-G200 PolarHBondContact O-N 3.28Å; D34-G200 WeakPolarHBondContact OD2-CA 3.38Å; D34-G200 PolarHBondContact OD2-N 3.48Å; D34-M201 HydrophobicContact CB-CG 4.09Å; D34-M201 VanDerWaalsContact O-CB 3.22Å; D34-M201 WeakPolarHBondContact O-CB 3.42Å; D34-M201 VanDerWaalsContact O-CG 3.22Å; D34-M201 WeakPolarHBondContact O-CG 3.2Å; D34-M201 PolarHBondContact O-N 3.23Å | ||
| 35 | W | 94.3 | Very high | 86.3 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.008 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -89.9 | -36.5 | 172.1 | -77.3 | 66.7 | 0 | 0 | 0 | 112.4 | A29 R56 L58 Q106 L161 Y164 G199 M201 I202 A205 | A29-W35 HydrophobicContact CB-CZ2 3.95Å; A29-W35 PolarHBondContact O-NE1 3.34Å; W35-R56 WeakPolarHBondContact CA-O 3.41Å; W35-R56 VanDerWaalsContact CB-O 3.28Å; W35-R56 WeakPolarHBondContact CB-O 3.34Å; W35-R56 PolarHBondContact N-O 3.44Å; W35-L58 HydrophobicContact CD2-CD2 3.73Å; W35-L58 HydrophobicContact CD2-CG 4.05Å; W35-L58 HydrophobicContact CE3-CD2 3.93Å; W35-L58 HydrophobicContact CG-CD2 4.27Å; W35-L58 HydrophobicContact CG-CG 4.39Å; W35-L58 HydrophobicContact CH2-CD1 4.31Å; W35-L58 HydrophobicContact CH2-CD2 4.19Å; W35-L58 HydrophobicContact CZ2-CD1 3.64Å; W35-L58 HydrophobicContact CZ2-CD2 3.98Å; W35-L58 HydrophobicContact CZ2-CG 3.91Å; W35-L58 HydrophobicContact CZ3-CD2 4.16Å; W35-Q106 VanDerWaalsContact CH2-NE2 3.28Å; W35-L161 HydrophobicContact CH2-CD2 3.94Å; W35-L161 HydrophobicContact CZ3-CD2 4.09Å; W35-Y164 HydrophobicContact CB-CE2 4.29Å; W35-Y164 HydrophobicContact CD2-CE2 4.3Å; W35-Y164 HydrophobicContact CE3-CD1 4.24Å; W35-Y164 AromaticContact CE3-CD2 3.79Å; W35-Y164 HydrophobicContact CE3-CD2 3.79Å; W35-Y164 HydrophobicContact CE3-CE1 4.09Å; W35-Y164 AromaticContact CE3-CE2 3.59Å; W35-Y164 HydrophobicContact CE3-CE2 3.59Å; W35-Y164 HydrophobicContact CE3-CG 4.12Å; W35-Y164 AromaticContact CE3-CZ 3.76Å; W35-Y164 HydrophobicContact CZ3-CD1 4.29Å; W35-Y164 HydrophobicContact CZ3-CD2 4.06Å; W35-Y164 HydrophobicContact CZ3-CE2 4.32Å; W35-Y164 HydrophobicContact CZ3-CG 4.05Å; W35-Y164 PolarHBondContact O-OH 3.31Å; W35-G199 PolarHBondContact O-N 3.31Å; W35-M201 HydrophobicContact CD2-CB 4.23Å; W35-M201 HydrophobicContact CG-CB 3.98Å; W35-I202 HydrophobicContact CE3-CD1 4.06Å; W35-I202 WeakPolarHBondContact O-CG1 3.43Å; W35-A205 HydrophobicContact CH2-CB 3.66Å; W35-A205 HydrophobicContact CZ2-CB 4.11Å; W35-A205 HydrophobicContact CZ3-CB 4.34Å |
| 36 | A | 92 | Very high | 84.8 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 133.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | Y38 S55 R56 M168 Y196 | A36-Y38 HydrophobicContact CB-CE2 4.09Å; A36-S55 CarbonylContact O-C 3.48Å; A36-S55 WeakPolarHBondContact O-CA 3.09Å; A36-R56 HydrophobicContact CB-CB 4.31Å; A36-R56 PolarHBondContact N-O 3.34Å; A36-R56 PolarHBondContact O-N 2.94Å; A36-M168 HydrophobicContact CB-CE 4.48Å; A36-Y196 HydrophobicContact CB-CE2 3.77Å |
| 37 | V | 90.5 | Very high | 83.5 | Confident | 21 Ų | 21 | 51.9 Ų | 51.9 | 13% | 0.127 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 132 | 174.3 | 179.9 | 0 | 0 | 0 | 0 | 108.3 | D34 S197 | D34-V37 WeakPolarHBondContact OD1-CG2 3.45Å; V37-S197 WeakPolarHBondContact CB-OG 3.18Å; V37-S197 PolarHBondContact N-O 3Å; V37-S197 PolarHBondContact O-N 3Å |
| 38 | Y | 87.9 | Confident | 82.2 | Confident | 3 Ų | 3 | 50.8 Ų | 50.8 | 1% | 0.012 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 101.8 | 176.8 | -56.2 | -75.8 | 0 | 0 | 0 | 107.1 | A36 S53 R54 R56 M168 W186 I195 Y196 | A36-Y38 HydrophobicContact CB-CE2 4.09Å; Y38-S53 CarbonylContact O-C 3.17Å; Y38-S53 WeakPolarHBondContact O-CA 3.25Å; Y38-R54 HydrophobicContact CD2-CG 4Å; Y38-R54 HydrophobicContact CG-CG 4.46Å; Y38-R54 PolarHBondContact N-O 3.43Å; Y38-R54 PolarHBondContact O-N 3.17Å; Y38-R56 HydrophobicContact CE2-CB 4.02Å; Y38-M168 WeakPolarHBondContact OH-CE 3.22Å; Y38-W186 AromaticContact CD1-CH2 3.49Å; Y38-W186 HydrophobicContact CD1-CH2 3.49Å; Y38-W186 VanDerWaalsContact CD1-CH2 3.49Å; Y38-W186 HydrophobicContact CD1-CZ3 4.16Å; Y38-W186 HydrophobicContact CD2-CH2 4.37Å; Y38-W186 AromaticContact CE1-CH2 3.72Å; Y38-W186 HydrophobicContact CE1-CH2 3.72Å; Y38-W186 AromaticContact CG-CH2 3.8Å; Y38-W186 HydrophobicContact CG-CH2 3.8Å; Y38-I195 WeakPolarHBondContact CA-O 3.31Å; Y38-Y196 AromaticContact CD1-CD2 3.85Å; Y38-Y196 HydrophobicContact CD1-CD2 3.85Å; Y38-Y196 AromaticContact CE1-CD2 3.51Å; Y38-Y196 HydrophobicContact CE1-CD2 3.51Å; Y38-Y196 HydrophobicContact CE1-CE2 4.15Å; Y38-Y196 HydrophobicContact CE1-CG 4.48Å |
| 39 | D | 86.8 | Confident | 81 | Confident | 67 Ų | 67 | 51.5 Ų | 51.5 | 36% | 0.358 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 112.5 | 179.2 | -73.6 | -37.1 | 0 | 0 | 0 | 109.5 | T41 T194 I195 | D39-T41 PolarHBondContact O-N 3.48Å; D39-T194 CarbonylContact O-C 3.59Å; D39-T194 WeakPolarHBondContact O-CA 3.49Å; D39-I195 PolarHBondContact N-O 2.95Å; D39-I195 PolarHBondContact O-N 3.05Å |
| 40 | V | 81.9 | Confident | 79.9 | Confident | 13 Ų | 13 | 51.9 Ų | 51.9 | 8% | 0.079 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 108.2 | -179.5 | -173.9 | 0 | 0 | 0 | 0 | 108.4 | I43 Q51 L52 S53 T194 | V40-I43 HydrophobicContact CG1-CD1 3.23Å; V40-I43 HydrophobicContact CG1-CG1 3.6Å; V40-Q51 WeakPolarHBondContact CG1-O 3.38Å; V40-L52 WeakPolarHBondContact CG2-O 3.45Å; V40-S53 PolarHBondContact N-OG 2.86Å; V40-T194 HydrophobicContact CG2-CG2 4.08Å |
| 41 | T | 77 | Confident | 79 | Confident | 64 Ų | 64 | 53.1 Ų | 53.1 | 39% | 0.393 | 28% | 0.277 | S | S | . | . | trans | -67.5 | 145.1 | 170.5 | 60.5 | 0 | 0 | 0 | 0 | 109.8 | D39 I43 N193 I195 | D39-T41 PolarHBondContact O-N 3.48Å; T41-I43 WeakPolarHBondContact O-CG1 3.43Å; T41-I43 PolarHBondContact O-N 3.04Å; T41-N193 WeakPolarHBondContact CB-O 3.25Å; T41-N193 PolarHBondContact N-O 2.66Å; T41-N193 PolarHBondContact OG1-O 3.3Å; T41-I195 HydrophobicContact CG2-CD1 4.01Å; T41-I195 HydrophobicContact CG2-CG1 4.42Å | ||
| 42 | Y | 65.8 | Low | 78.4 | Confident | 196 Ų | 196 | 48 Ų | 48 | 77% | 0.769 | 25% | 0.251 | S | S | * | . | trans | -46.1 | 118.9 | -167.3 | 179.4 | -99.2 | 0 | 0 | 0 | 113.9 | G44 | Y42-G44 VanDerWaalsContact CE1-CA 3.49Å; Y42-G44 VanDerWaalsContact CZ-CA 3.46Å | ||
| 43 | I | 62.8 | Low | 78 | Confident | 36 Ų | 36 | 47 Ų | 47 | 19% | 0.185 | 24% | 0.244 | C | C | . | . | trans | -103.8 | 16.5 | -178.9 | -36.3 | 179.4 | 0 | 0 | 0 | 112.4 | V40 T41 L45 Q51 I189 V190 N193 | V40-I43 HydrophobicContact CG1-CD1 3.23Å; V40-I43 HydrophobicContact CG1-CG1 3.6Å; T41-I43 WeakPolarHBondContact O-CG1 3.43Å; T41-I43 PolarHBondContact O-N 3.04Å; I43-L45 PolarHBondContact O-N 2.98Å; I43-Q51 HydrophobicContact CD1-CB 4.15Å; I43-Q51 HydrophobicContact CD1-CG 4.02Å; I43-I189 HydrophobicContact CG2-CG2 3.35Å; I43-V190 HydrophobicContact CD1-CB 4.39Å; I43-V190 HydrophobicContact CD1-CG2 3.89Å; I43-N193 HydrophobicContact CD1-CB 4.3Å; I43-N193 HydrophobicContact CG1-CB 4.04Å | ||
| 44 | G | 65.3 | Low | 77.8 | Confident | 29 Ų | 29 | 45.4 Ų | 45.4 | 30% | 0.299 | 23% | 0.234 | S | C | . | . | S | Bend | trans | 82.3 | -116.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y42 | Y42-G44 VanDerWaalsContact CE1-CA 3.49Å; Y42-G44 VanDerWaalsContact CZ-CA 3.46Å |
| 45 | L | 64.1 | Low | 77.6 | Confident | 133 Ų | 133 | 43.6 Ų | 43.6 | 70% | 0.696 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -78 | 134.3 | 176.8 | -112.1 | 97.6 | 0 | 0 | 0 | 111 | I43 Q51 | I43-L45 PolarHBondContact O-N 2.98Å; L45-Q51 PolarHBondContact O-OE1 2.62Å |
| 46 | I | 65.1 | Low | 77.4 | Confident | 55 Ų | 55 | 44 Ų | 44 | 28% | 0.282 | 23% | 0.227 | S | C | . | . | trans | -100.9 | 105.7 | 175.7 | -55 | -178.3 | 0 | 0 | 0 | 108.2 | Q51 L52 V68 | I46-Q51 VanDerWaalsContact CA-OE1 3.31Å; I46-Q51 HydrophobicContact CG2-CB 4.11Å; I46-L52 HydrophobicContact CD1-CD2 3.89Å; I46-L52 HydrophobicContact CG2-CD2 3.87Å; I46-L52 HydrophobicContact CG2-CG 4.04Å; I46-V68 HydrophobicContact CD1-CB 4.32Å; I46-V68 HydrophobicContact CD1-CG2 3.63Å | ||
| 47 | D | 67.9 | Low | 77.5 | Confident | 130 Ų | 130 | 44.2 Ų | 44.2 | 70% | 0.695 | 23% | 0.228 | S | C | * | . | trans | -113.4 | -13.4 | -179.2 | -64.7 | -24.8 | 0 | 0 | 0 | 112.8 | ||||
| 48 | D | 70.9 | Confident | 77.5 | Confident | 58 Ų | 58 | 43.7 Ų | 43.7 | 31% | 0.31 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -137.3 | 152.6 | -178.2 | -167.5 | 16.8 | 0 | 0 | 0 | 112.8 | N50 Q51 K180 | D48-N50 PolarHBondContact O-N 3.28Å; D48-N50 VanDerWaalsContact O-N 3.11Å; D48-N50 PolarHBondContact OD2-ND2 3.01Å; D48-Q51 WeakPolarHBondContact O-CB 3.15Å; D48-Q51 PolarHBondContact O-N 3.31Å; D48-K180 IonicContact OD1-NZ 3.27Å; D48-K180 PolarHBondContact OD1-NZ 2.89Å; D48-K180 IonicContact OD2-NZ 2.71Å |
| 49 | Y | 70 | Confident | 77.6 | Confident | 47 Ų | 47 | 48.3 Ų | 48.3 | 18% | 0.184 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -50.9 | -35.2 | 175.1 | 166.4 | -106.5 | 0 | 0 | 0 | 112.7 | Q51 L52 Q61 I63 Y77 | Y49-Q51 PolarHBondContact O-N 3.25Å; Y49-L52 PolarHBondContact O-N 3.47Å; Y49-Q61 WeakPolarHBondContact OH-CG 3.44Å; Y49-Q61 PolarHBondContact OH-OE1 3.36Å; Y49-I63 HydrophobicContact CD2-CD1 3.83Å; Y49-I63 HydrophobicContact CD2-CG1 4.33Å; Y49-I63 HydrophobicContact CE2-CD1 3.74Å; Y49-I63 HydrophobicContact CE2-CG1 3.82Å; Y49-Y77 HydrophobicContact CE2-CD2 4.08Å; Y49-Y77 HydrophobicContact CE2-CE2 4.23Å |
| 50 | N | 72.6 | Confident | 77.7 | Confident | 9 Ų | 9 | 48.8 Ų | 48.8 | 5% | 0.048 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -69.5 | -15.3 | -178 | -67.9 | -38.2 | 0 | 0 | 0 | 114.1 | D48 L52 R54 K180 V190 | D48-N50 PolarHBondContact O-N 3.28Å; D48-N50 VanDerWaalsContact O-N 3.11Å; D48-N50 PolarHBondContact OD2-ND2 3.01Å; N50-L52 VanDerWaalsContact C-N 3.32Å; N50-R54 PolarHBondContact OD1-NH1 3.48Å; N50-R54 PolarHBondContact OD1-NH2 3.01Å; N50-K180 PolarHBondContact OD1-O 2.87Å; N50-V190 WeakPolarHBondContact O-CG1 3.18Å |
| 51 | Q | 74.2 | Confident | 78.1 | Confident | 36 Ų | 36 | 48.3 Ų | 48.3 | 17% | 0.168 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -90.1 | 5.2 | 178.6 | -66.6 | 169.3 | -24.7 | 0 | 0 | 112.8 | V40 I43 L45 I46 D48 Y49 V190 | V40-Q51 WeakPolarHBondContact CG1-O 3.38Å; I43-Q51 HydrophobicContact CD1-CB 4.15Å; I43-Q51 HydrophobicContact CD1-CG 4.02Å; L45-Q51 PolarHBondContact O-OE1 2.62Å; I46-Q51 VanDerWaalsContact CA-OE1 3.31Å; I46-Q51 HydrophobicContact CG2-CB 4.11Å; D48-Q51 WeakPolarHBondContact O-CB 3.15Å; D48-Q51 PolarHBondContact O-N 3.31Å; Y49-Q51 PolarHBondContact O-N 3.25Å; Q51-V190 HydrophobicContact CG-CG2 3.59Å |
| 52 | L | 79.5 | Confident | 78.6 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -104.4 | 141.7 | 178.8 | -66.8 | 169.3 | 0 | 0 | 0 | 111.8 | V40 I46 Y49 N50 I63 N65 | V40-L52 WeakPolarHBondContact CG2-O 3.45Å; I46-L52 HydrophobicContact CD1-CD2 3.89Å; I46-L52 HydrophobicContact CG2-CD2 3.87Å; I46-L52 HydrophobicContact CG2-CG 4.04Å; Y49-L52 PolarHBondContact O-N 3.47Å; N50-L52 VanDerWaalsContact C-N 3.32Å; L52-I63 HydrophobicContact CB-CG2 4.13Å; L52-I63 HydrophobicContact CD1-CD1 4.06Å; L52-I63 HydrophobicContact CD1-CG2 4.24Å; L52-N65 HydrophobicContact CD2-CB 4.32Å |
| 53 | S | 85.1 | Confident | 79.6 | Confident | 4 Ų | 4 | 36.7 Ų | 36.7 | 3% | 0.028 | 19% | 0.188 | C | C | . | . | trans | -64.1 | 140.2 | 170.9 | -53.6 | 0 | 0 | 0 | 0 | 111 | Y38 V40 T64 N65 | Y38-S53 CarbonylContact O-C 3.17Å; Y38-S53 WeakPolarHBondContact O-CA 3.25Å; V40-S53 PolarHBondContact N-OG 2.86Å; S53-T64 VanDerWaalsContact C-OG1 3.27Å; S53-T64 PolarHBondContact O-N 3.48Å; S53-T64 PolarHBondContact O-OG1 3.04Å; S53-N65 VanDerWaalsContact CB-CG 3.41Å; S53-N65 VanDerWaalsContact CB-OD1 3.27Å; S53-N65 WeakPolarHBondContact CB-OD1 3.48Å; S53-N65 PolarHBondContact N-ND2 3.4Å; S53-N65 VanDerWaalsContact N-ND2 3.13Å; S53-N65 VanDerWaalsContact OG-CG 3.23Å; S53-N65 PolarHBondContact OG-ND2 3.06Å; S53-N65 PolarHBondContact OG-OD1 3.02Å | ||
| 54 | R | 87 | Confident | 80.4 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 141.8 | -170 | 55.5 | -165.7 | 179.3 | -178.8 | -29.4 | 112.6 | Y38 N50 Q61 C62 T64 | Y38-R54 HydrophobicContact CD2-CG 4Å; Y38-R54 HydrophobicContact CG-CG 4.46Å; Y38-R54 PolarHBondContact N-O 3.43Å; Y38-R54 PolarHBondContact O-N 3.17Å; N50-R54 PolarHBondContact OD1-NH1 3.48Å; N50-R54 PolarHBondContact OD1-NH2 3.01Å; R54-Q61 HydrophobicContact CB-CG 4.09Å; R54-Q61 HydrophobicContact CG-CG 4.33Å; R54-Q61 VanDerWaalsContact CG-NE2 3.35Å; R54-C62 CarbonylContact C-O 3.57Å; R54-C62 WeakPolarHBondContact CA-O 3.46Å; R54-C62 WeakPolarHBondContact CB-O 3.22Å; R54-T64 PolarHBondContact N-OG1 3.32Å |
| 55 | S | 89.9 | Confident | 80.6 | Confident | 10 Ų | 10 | 37.4 Ų | 37.4 | 7% | 0.07 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 131.5 | 172 | -174.1 | 0 | 0 | 0 | 0 | 108.9 | P33 D34 A36 Q61 C62 | P33-S55 CarbonylContact O-C 3.53Å; P33-S55 PolarHBondContact O-OG 3.33Å; D34-S55 WeakPolarHBondContact CA-OG 3.45Å; D34-S55 PolarHBondContact OD1-OG 3.41Å; A36-S55 CarbonylContact O-C 3.48Å; A36-S55 WeakPolarHBondContact O-CA 3.09Å; S55-Q61 CarbonylContact O-C 3.57Å; S55-Q61 WeakPolarHBondContact O-CA 3.41Å; S55-C62 PolarHBondContact N-O 3.24Å; S55-C62 PolarHBondContact O-N 3.35Å |
| 56 | R | 89.8 | Confident | 80.2 | Confident | 11 Ų | 11 | 39.1 Ų | 39.1 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 128.1 | -173.3 | 177.3 | 173.3 | 172.4 | -165 | -9.9 | 111.2 | P33 W35 A36 Y38 Q61 L79 R99 E171 | P33-R56 VanDerWaalsContact C-C 3.47Å; P33-R56 CarbonylContact O-C 3.52Å; P33-R56 VanDerWaalsContact O-CA 3.23Å; P33-R56 WeakPolarHBondContact O-CA 3.42Å; P33-R56 PolarHBondContact O-N 3.12Å; W35-R56 WeakPolarHBondContact CA-O 3.41Å; W35-R56 VanDerWaalsContact CB-O 3.28Å; W35-R56 WeakPolarHBondContact CB-O 3.34Å; W35-R56 PolarHBondContact N-O 3.44Å; A36-R56 HydrophobicContact CB-CB 4.31Å; A36-R56 PolarHBondContact N-O 3.34Å; A36-R56 PolarHBondContact O-N 2.94Å; Y38-R56 HydrophobicContact CE2-CB 4.02Å; R56-Q61 HydrophobicContact CB-CB 4.45Å; R56-Q61 HydrophobicContact CB-CG 4.02Å; R56-Q61 HydrophobicContact CG-CB 4.46Å; R56-Q61 HydrophobicContact CG-CG 4.46Å; R56-L79 HydrophobicContact CG-CD1 4.37Å; R56-L79 HydrophobicContact CG-CD2 4.43Å; R56-R99 VanDerWaalsContact NH2-CZ 3.35Å; R56-R99 VanDerWaalsContact NH2-NE 3.15Å; R56-R99 VanDerWaalsContact NH2-NH2 3.18Å; R56-E171 IonicContact CZ-OE1 3.67Å; R56-E171 IonicContact CZ-OE2 3.68Å; R56-E171 IonicContact NH1-OE1 2.91Å; R56-E171 PolarHBondContact NH1-OE1 3.4Å; R56-E171 IonicContact NH1-OE2 2.89Å; R56-E171 PolarHBondContact NH1-OE2 3.04Å; R56-E171 IonicContact NH2-OE1 2.66Å; R56-E171 PolarHBondContact NH2-OE1 3.45Å; R56-E171 IonicContact NH2-OE2 2.92Å; R56-E171 PolarHBondContact NH2-OE2 3.29Å |
| 57 | G | 92.5 | Very high | 79.7 | Confident | 3 Ų | 3 | 43.5 Ų | 43.5 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | trans | -100.7 | -161.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | P33 K60 L79 | P33-G57 PolarHBondContact O-N 2.79Å; G57-K60 PolarHBondContact N-O 2.92Å; G57-L79 WeakPolarHBondContact O-CD1 3.4Å | ||
| 58 | L | 91.2 | Very high | 78.9 | Confident | 11 Ų | 11 | 39.9 Ų | 39.9 | 6% | 0.058 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -78 | -22.4 | -179.3 | -59.7 | 176.7 | 0 | 0 | 0 | 114.4 | W35 I102 N103 Q106 Y164 | W35-L58 HydrophobicContact CD2-CD2 3.73Å; W35-L58 HydrophobicContact CD2-CG 4.05Å; W35-L58 HydrophobicContact CE3-CD2 3.93Å; W35-L58 HydrophobicContact CG-CD2 4.27Å; W35-L58 HydrophobicContact CG-CG 4.39Å; W35-L58 HydrophobicContact CH2-CD1 4.31Å; W35-L58 HydrophobicContact CH2-CD2 4.19Å; W35-L58 HydrophobicContact CZ2-CD1 3.64Å; W35-L58 HydrophobicContact CZ2-CD2 3.98Å; W35-L58 HydrophobicContact CZ2-CG 3.91Å; W35-L58 HydrophobicContact CZ3-CD2 4.16Å; L58-I102 HydrophobicContact CD2-CG2 3.96Å; L58-N103 WeakPolarHBondContact CB-OD1 3.2Å; L58-N103 PolarHBondContact O-ND2 3.22Å; L58-Q106 VanDerWaalsContact CD1-OE1 3.29Å; L58-Y164 HydrophobicContact CD2-CD2 3.97Å; L58-Y164 HydrophobicContact CD2-CE2 4.25Å |
| 59 | W | 89.5 | Confident | 78 | Confident | 99 Ų | 99 | 43.2 Ų | 43.2 | 38% | 0.375 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -129.6 | -15.3 | -174.5 | -26.2 | 88.9 | 0 | 0 | 0 | 114.5 | Q30 P78 L79 N103 I107 | Q30-W59 HydrophobicContact CG-CZ2 3.64Å; Q30-W59 VanDerWaalsContact O-CD1 3.29Å; Q30-W59 PolarHBondContact O-NE1 3.33Å; W59-P78 CarbonylContact O-C 3.12Å; W59-P78 WeakPolarHBondContact O-CA 3.24Å; W59-L79 PolarHBondContact O-N 3.3Å; W59-N103 HydrophobicContact CE3-CB 3.82Å; W59-N103 HydrophobicContact CH2-CB 3.24Å; W59-N103 WeakPolarHBondContact CH2-OD1 3.13Å; W59-N103 HydrophobicContact CZ2-CB 4.1Å; W59-N103 WeakPolarHBondContact CZ2-OD1 3.45Å; W59-N103 HydrophobicContact CZ3-CB 3.1Å; W59-N103 WeakPolarHBondContact CZ3-ND2 3.15Å; W59-N103 WeakPolarHBondContact CZ3-OD1 3.36Å; W59-I107 HydrophobicContact CH2-CD1 3.43Å; W59-I107 VanDerWaalsContact CH2-CD1 3.43Å; W59-I107 HydrophobicContact CH2-CG1 4.14Å; W59-I107 HydrophobicContact CZ2-CD1 3.74Å; W59-I107 HydrophobicContact CZ2-CG1 4.2Å |
| 60 | K | 89.9 | Confident | 77.4 | Confident | 77 Ų | 77 | 42.6 Ų | 42.6 | 34% | 0.335 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 154.1 | -172.4 | 64.8 | 179.6 | 177.9 | -175.2 | 0 | 110.5 | I31 P33 G57 Y77 | I31-K60 VanDerWaalsContact O-CE 3.25Å; I31-K60 WeakPolarHBondContact O-CE 3.49Å; I31-K60 PolarHBondContact O-NZ 2.83Å; P33-K60 HydrophobicContact CB-CG 4.26Å; G57-K60 PolarHBondContact N-O 2.92Å; K60-Y77 CarbonylContact C-O 3.56Å; K60-Y77 WeakPolarHBondContact CA-O 3.39Å; K60-Y77 WeakPolarHBondContact CB-O 3.34Å |
| 61 | Q | 89.4 | Confident | 77 | Confident | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.019 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 134 | 174.2 | -171.8 | 166.8 | 36.7 | 0 | 0 | 108.7 | Y49 R54 S55 R56 C76 Y77 L79 | Y49-Q61 WeakPolarHBondContact OH-CG 3.44Å; Y49-Q61 PolarHBondContact OH-OE1 3.36Å; R54-Q61 HydrophobicContact CB-CG 4.09Å; R54-Q61 HydrophobicContact CG-CG 4.33Å; R54-Q61 VanDerWaalsContact CG-NE2 3.35Å; S55-Q61 CarbonylContact O-C 3.57Å; S55-Q61 WeakPolarHBondContact O-CA 3.41Å; R56-Q61 HydrophobicContact CB-CB 4.45Å; R56-Q61 HydrophobicContact CB-CG 4.02Å; R56-Q61 HydrophobicContact CG-CB 4.46Å; R56-Q61 HydrophobicContact CG-CG 4.46Å; Q61-C76 CarbonylContact O-C 3.48Å; Q61-C76 VanDerWaalsContact O-CA 3.29Å; Q61-C76 WeakPolarHBondContact O-CA 3.39Å; Q61-Y77 PolarHBondContact N-O 2.88Å; Q61-Y77 PolarHBondContact O-N 3Å; Q61-L79 HydrophobicContact CB-CD2 4.45Å |
| 62 | C | 88.3 | Confident | 76.4 | Confident | 11 Ų | 11 | 50.2 Ų | 50.2 | 7% | 0.074 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 137.8 | -176.8 | -58.8 | 0 | 0 | 0 | 0 | 109.7 | P33 R54 S55 Q75 C76 | P33-C62 HydrophobicContact CB-CB 4.36Å; R54-C62 CarbonylContact C-O 3.57Å; R54-C62 WeakPolarHBondContact CA-O 3.46Å; R54-C62 WeakPolarHBondContact CB-O 3.22Å; S55-C62 PolarHBondContact N-O 3.24Å; S55-C62 PolarHBondContact O-N 3.35Å; C62-Q75 WeakPolarHBondContact CA-O 3.27Å; C62-C76 HydrophobicContact CB-CB 4.11Å; C62-C76 WeakPolarHBondContact CB-SG 3.11Å; C62-C76 WeakPolarHBondContact SG-CB 3.27Å; C62-C76 CovalentContact SG-SG 2.04Å; C62-C76 PolarHBondContact SG-SG 3.46Å |
| 63 | I | 85.8 | Confident | 75.8 | Confident | 5 Ų | 5 | 53.3 Ų | 53.3 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 128.8 | 177.2 | -64.1 | 166.9 | 0 | 0 | 0 | 108.7 | Y49 L52 Y72 Q75 Y77 | Y49-I63 HydrophobicContact CD2-CD1 3.83Å; Y49-I63 HydrophobicContact CD2-CG1 4.33Å; Y49-I63 HydrophobicContact CE2-CD1 3.74Å; Y49-I63 HydrophobicContact CE2-CG1 3.82Å; L52-I63 HydrophobicContact CB-CG2 4.13Å; L52-I63 HydrophobicContact CD1-CD1 4.06Å; L52-I63 HydrophobicContact CD1-CG2 4.24Å; I63-Y72 HydrophobicContact CD1-CG 4.45Å; I63-Q75 PolarHBondContact N-O 3.48Å; I63-Y77 HydrophobicContact CD1-CE2 4.04Å |
| 64 | T | 80.3 | Confident | 75.1 | Confident | 60 Ų | 60 | 56 Ų | 56 | 37% | 0.368 | 31% | 0.311 | S | S | . | . | trans | -108.6 | -6.1 | -175.5 | 52.1 | 0 | 0 | 0 | 0 | 113.5 | S53 R54 E66 | S53-T64 VanDerWaalsContact C-OG1 3.27Å; S53-T64 PolarHBondContact O-N 3.48Å; S53-T64 PolarHBondContact O-OG1 3.04Å; R54-T64 PolarHBondContact N-OG1 3.32Å; T64-E66 PolarHBondContact O-N 3.21Å; T64-E66 VanDerWaalsContact O-N 3.1Å | ||
| 65 | N | 69.3 | Low | 74.8 | Confident | 19 Ų | 19 | 59.7 Ų | 59.7 | 10% | 0.102 | 33% | 0.329 | C | S | . | . | trans | -72.8 | 106 | -174.7 | -113.4 | -4.2 | 0 | 0 | 0 | 112.2 | L52 S53 I67 N73 | L52-N65 HydrophobicContact CD2-CB 4.32Å; S53-N65 VanDerWaalsContact CB-CG 3.41Å; S53-N65 VanDerWaalsContact CB-OD1 3.27Å; S53-N65 WeakPolarHBondContact CB-OD1 3.48Å; S53-N65 PolarHBondContact N-ND2 3.4Å; S53-N65 VanDerWaalsContact N-ND2 3.13Å; S53-N65 VanDerWaalsContact OG-CG 3.23Å; S53-N65 PolarHBondContact OG-ND2 3.06Å; S53-N65 PolarHBondContact OG-OD1 3.02Å; N65-I67 VanDerWaalsContact C-N 3.32Å; N65-N73 PolarHBondContact O-ND2 2.98Å; N65-N73 PolarHBondContact O-OD1 3.16Å; N65-N73 VanDerWaalsContact O-OD1 3.13Å | ||
| 66 | E | 56.6 | Low | 74.7 | Confident | 169 Ų | 169 | 62.5 Ų | 62.5 | 79% | 0.79 | 35% | 0.347 | S | S | * | . | trans | -76.7 | -18.3 | 171.1 | -65.6 | -175.1 | 168.3 | 0 | 0 | 113.5 | T64 V68 | T64-E66 PolarHBondContact O-N 3.21Å; T64-E66 VanDerWaalsContact O-N 3.1Å; E66-V68 PolarHBondContact O-N 3.26Å | ||
| 67 | I | 53.1 | Low | 74.4 | Confident | 147 Ų | 147 | 65.7 Ų | 65.7 | 75% | 0.754 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -71.1 | -20 | -165.3 | -53.1 | 174.2 | 0 | 0 | 0 | 112.3 | N65 | N65-I67 VanDerWaalsContact C-N 3.32Š|
| 68 | V | 52.8 | Low | 74.2 | Confident | 55 Ų | 55 | 70.6 Ų | 70.6 | 33% | 0.333 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -129 | 121 | -179.9 | -166.1 | 0 | 0 | 0 | 0 | 108.1 | I46 E66 T70 | I46-V68 HydrophobicContact CD1-CB 4.32Å; I46-V68 HydrophobicContact CD1-CG2 3.63Å; E66-V68 PolarHBondContact O-N 3.26Å; V68-T70 HydrophobicContact CB-CG2 3.86Å; V68-T70 HydrophobicContact CG1-CG2 3.47Å; V68-T70 VanDerWaalsContact CG1-CG2 3.47Å; V68-T70 PolarHBondContact O-N 3.28Å |
| 69 | S | 52.2 | Low | 73.8 | Confident | 128 Ų | 128 | 70.9 Ų | 70.9 | 90% | 0.895 | 39% | 0.393 | S | S | * | . | trans | -65.8 | 62.7 | 169.9 | 62 | 0 | 0 | 0 | 0 | 110 | ||||
| 70 | T | 57.3 | Low | 73.2 | Confident | 34 Ų | 34 | 68 Ų | 68 | 21% | 0.209 | 38% | 0.383 | C | S | . | . | trans | -84.8 | 152 | 171.1 | 60.4 | 0 | 0 | 0 | 0 | 108.1 | V68 Y72 N73 | V68-T70 HydrophobicContact CB-CG2 3.86Å; V68-T70 HydrophobicContact CG1-CG2 3.47Å; V68-T70 VanDerWaalsContact CG1-CG2 3.47Å; V68-T70 PolarHBondContact O-N 3.28Å; T70-Y72 PolarHBondContact O-N 3.28Å; T70-N73 PolarHBondContact O-N 2.94Å | ||
| 71 | S | 64.2 | Low | 72.3 | Confident | 90 Ų | 90 | 67.7 Ų | 67.7 | 63% | 0.629 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -10.7 | 173 | 49.5 | 0 | 0 | 0 | 0 | 113.7 | Q75 | S71-Q75 PolarHBondContact O-NE2 3.27Š|
| 72 | Y | 61.4 | Low | 71.3 | Confident | 114 Ų | 114 | 69.8 Ų | 69.8 | 45% | 0.447 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -10.3 | -172.1 | -61.4 | -69.4 | 0 | 0 | 0 | 114.1 | I63 T70 G74 Q75 Y77 | I63-Y72 HydrophobicContact CD1-CG 4.45Å; T70-Y72 PolarHBondContact O-N 3.28Å; Y72-G74 PolarHBondContact O-N 3.33Å; Y72-Q75 WeakPolarHBondContact O-CB 3.27Å; Y72-Q75 PolarHBondContact O-N 2.88Å; Y72-Y77 VanDerWaalsContact CD1-OH 3.22Å; Y72-Y77 WeakPolarHBondContact CD1-OH 3.47Å |
| 73 | N | 65.7 | Low | 70.3 | Confident | 68 Ų | 68 | 77.4 Ų | 77.4 | 36% | 0.364 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 130.9 | -176.9 | -165.4 | 11.6 | 0 | 0 | 0 | 111.1 | N65 T70 Q75 | N65-N73 PolarHBondContact O-ND2 2.98Å; N65-N73 PolarHBondContact O-OD1 3.16Å; N65-N73 VanDerWaalsContact O-OD1 3.13Å; T70-N73 PolarHBondContact O-N 2.94Å; N73-Q75 PolarHBondContact O-N 2.98Å |
| 74 | G | 70.2 | Confident | 69.2 | Low | 60 Ų | 60 | 81.8 Ų | 81.8 | 62% | 0.619 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.4 | 3.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y72 | Y72-G74 PolarHBondContact O-N 3.33Š|
| 75 | Q | 81.8 | Confident | 68.3 | Low | 79 Ų | 79 | 81.1 Ų | 81.1 | 37% | 0.369 | 45% | 0.447 | S | S | . | . | trans | -79.2 | 139.8 | 174.4 | -62.2 | -164.1 | -0.4 | 0 | 0 | 111.1 | C62 I63 S71 Y72 N73 Y77 | C62-Q75 WeakPolarHBondContact CA-O 3.27Å; I63-Q75 PolarHBondContact N-O 3.48Å; S71-Q75 PolarHBondContact O-NE2 3.27Å; Y72-Q75 WeakPolarHBondContact O-CB 3.27Å; Y72-Q75 PolarHBondContact O-N 2.88Å; N73-Q75 PolarHBondContact O-N 2.98Å; Q75-Y77 HydrophobicContact CB-CE2 4.14Å; Q75-Y77 PolarHBondContact OE1-OH 3.09Å | ||
| 76 | C | 86.7 | Confident | 68.2 | Low | 68 Ų | 68 | 85.8 Ų | 85.8 | 46% | 0.459 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 132.6 | 174.2 | -62.7 | 0 | 0 | 0 | 0 | 109.7 | Q61 C62 | Q61-C76 CarbonylContact O-C 3.48Å; Q61-C76 VanDerWaalsContact O-CA 3.29Å; Q61-C76 WeakPolarHBondContact O-CA 3.39Å; C62-C76 HydrophobicContact CB-CB 4.11Å; C62-C76 WeakPolarHBondContact CB-SG 3.11Å; C62-C76 WeakPolarHBondContact SG-CB 3.27Å; C62-C76 CovalentContact SG-SG 2.04Å; C62-C76 PolarHBondContact SG-SG 3.46Å |
| 77 | Y | 85.4 | Confident | 69 | Low | 79 Ų | 79 | 80.6 Ų | 80.6 | 31% | 0.31 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 143.5 | 176.5 | -59.2 | -75.9 | 0 | 0 | 0 | 110.1 | Y49 K60 Q61 I63 Y72 Q75 | Y49-Y77 HydrophobicContact CE2-CD2 4.08Å; Y49-Y77 HydrophobicContact CE2-CE2 4.23Å; K60-Y77 CarbonylContact C-O 3.56Å; K60-Y77 WeakPolarHBondContact CA-O 3.39Å; K60-Y77 WeakPolarHBondContact CB-O 3.34Å; Q61-Y77 PolarHBondContact N-O 2.88Å; Q61-Y77 PolarHBondContact O-N 3Å; I63-Y77 HydrophobicContact CD1-CE2 4.04Å; Y72-Y77 VanDerWaalsContact CD1-OH 3.22Å; Y72-Y77 WeakPolarHBondContact CD1-OH 3.47Å; Q75-Y77 HydrophobicContact CB-CE2 4.14Å; Q75-Y77 PolarHBondContact OE1-OH 3.09Å |
| 78 | P | 86.6 | Confident | 69.9 | Low | 105 Ų | 105 | 75 Ų | 75 | 68% | 0.682 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 148.4 | 167.9 | 29 | -33.4 | 0 | 0 | 0 | 109.8 | W59 | W59-P78 CarbonylContact O-C 3.12Å; W59-P78 WeakPolarHBondContact O-CA 3.24Å |
| 79 | L | 84.4 | Confident | 71.1 | Confident | 17 Ų | 17 | 76 Ų | 76 | 9% | 0.089 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 141.3 | 168.6 | -74.7 | 165.1 | 0 | 0 | 0 | 109 | R56 G57 W59 Q61 N81 | R56-L79 HydrophobicContact CG-CD1 4.37Å; R56-L79 HydrophobicContact CG-CD2 4.43Å; G57-L79 WeakPolarHBondContact O-CD1 3.4Å; W59-L79 PolarHBondContact O-N 3.3Å; Q61-L79 HydrophobicContact CB-CD2 4.45Å; L79-N81 PolarHBondContact O-N 2.73Å |
| 80 | E | 75.7 | Confident | 72.2 | Confident | 38 Ų | 38 | 75.7 Ų | 75.7 | 18% | 0.178 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 131.4 | 177.5 | -49.9 | 90.9 | 153.2 | 0 | 0 | 109 | Y88 F96 R99 L179 S181 | E80-Y88 HydrophobicContact CB-CE2 4.48Å; E80-Y88 WeakPolarHBondContact CG-OH 3.34Å; E80-F96 HydrophobicContact CB-CE1 4.03Å; E80-F96 WeakPolarHBondContact O-CD1 3.26Å; E80-R99 IonicContact OE2-NH1 3.4Å; E80-R99 PolarHBondContact OE2-NH1 2.92Å; E80-L179 HydrophobicContact CB-CD1 4.04Å; E80-L179 HydrophobicContact CG-CD1 4.23Å; E80-S181 WeakPolarHBondContact OE1-CB 3.37Å; E80-S181 PolarHBondContact OE1-N 2.92Å; E80-S181 PolarHBondContact OE1-OG 3.31Å; E80-S181 WeakPolarHBondContact OE2-CB 3.46Å; E80-S181 PolarHBondContact OE2-OG 3.31Å |
| 81 | N | 70.9 | Confident | 73.3 | Confident | 71 Ų | 71 | 81 Ų | 81 | 38% | 0.38 | 45% | 0.445 | S | S | . | . | trans | -112.7 | 170.1 | -167.9 | 58 | -4.4 | 0 | 0 | 0 | 111.3 | L79 E83 E84 | L79-N81 PolarHBondContact O-N 2.73Å; N81-E83 PolarHBondContact O-N 3.11Å; N81-E83 VanDerWaalsContact O-N 3.1Å; N81-E84 PolarHBondContact O-N 3.46Å | ||
| 82 | C | 68.1 | Low | 74 | Confident | 49 Ų | 49 | 76.7 Ų | 76.7 | 33% | 0.331 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -60.8 | -20.6 | -179.1 | -65 | 0 | 0 | 0 | 0 | 113.8 | E84 F85 | C82-E84 VanDerWaalsContact C-N 3.25Å; C82-E84 PolarHBondContact O-N 2.96Å; C82-F85 WeakPolarHBondContact O-CB 3.36Å; C82-F85 PolarHBondContact O-N 3.41Å; C82-F85 VanDerWaalsContact O-N 3.16Å |
| 83 | E | 67.1 | Low | 75.1 | Confident | 171 Ų | 171 | 74.2 Ų | 74.2 | 80% | 0.799 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -68.8 | -27.4 | -178 | -66.1 | -179.1 | 173.4 | 0 | 0 | 112.1 | N81 F85 | N81-E83 PolarHBondContact O-N 3.11Å; N81-E83 VanDerWaalsContact O-N 3.1Å; E83-F85 VanDerWaalsContact C-N 3.3Å |
| 84 | E | 64.4 | Low | 76 | Confident | 96 Ų | 96 | 72.9 Ų | 72.9 | 45% | 0.449 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -90.5 | 9.6 | 175.5 | -65.6 | 177.4 | 170.5 | 0 | 0 | 112.1 | N81 C82 S86 S87 Y88 | N81-E84 PolarHBondContact O-N 3.46Å; C82-E84 VanDerWaalsContact C-N 3.25Å; C82-E84 PolarHBondContact O-N 2.96Å; E84-S86 PolarHBondContact O-N 2.96Å; E84-S87 PolarHBondContact O-N 3.48Å; E84-S87 PolarHBondContact O-OG 2.94Å; E84-Y88 HydrophobicContact CB-CE2 3.77Å; E84-Y88 WeakPolarHBondContact O-CD2 3.31Å; E84-Y88 VanDerWaalsContact O-CE2 3.27Å; E84-Y88 WeakPolarHBondContact O-CE2 3.47Å |
| 85 | F | 60.3 | Low | 76.8 | Confident | 46 Ų | 46 | 70 Ų | 70 | 20% | 0.202 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -55.3 | -31 | -175.1 | 178.5 | -106.9 | 0 | 0 | 0 | 114 | C82 E83 S87 Y88 D90 L93 F96 | C82-F85 WeakPolarHBondContact O-CB 3.36Å; C82-F85 PolarHBondContact O-N 3.41Å; C82-F85 VanDerWaalsContact O-N 3.16Å; E83-F85 VanDerWaalsContact C-N 3.3Å; F85-S87 PolarHBondContact O-N 2.98Å; F85-S87 VanDerWaalsContact O-N 3.16Å; F85-Y88 PolarHBondContact O-N 3.42Å; F85-D90 WeakPolarHBondContact CZ-OD1 3.36Å; F85-L93 HydrophobicContact CD1-CD1 4.38Å; F85-L93 HydrophobicContact CD2-CB 4.29Å; F85-L93 HydrophobicContact CD2-CD1 3.79Å; F85-L93 HydrophobicContact CE1-CD1 4.23Å; F85-L93 HydrophobicContact CE2-CB 3.42Å; F85-L93 VanDerWaalsContact CE2-CB 3.42Å; F85-L93 HydrophobicContact CE2-CD1 3.64Å; F85-L93 HydrophobicContact CE2-CG 4.04Å; F85-L93 HydrophobicContact CG-CD1 4.15Å; F85-L93 HydrophobicContact CZ-CB 3.69Å; F85-L93 HydrophobicContact CZ-CD1 3.84Å; F85-L93 HydrophobicContact CZ-CD2 4.18Å; F85-L93 HydrophobicContact CZ-CG 4.1Å; F85-F96 AromaticContact CD2-CD2 3.99Å; F85-F96 HydrophobicContact CD2-CD2 3.99Å; F85-F96 HydrophobicContact CD2-CE2 4.17Å |
| 86 | S | 67.1 | Low | 77.1 | Confident | 118 Ų | 118 | 66.5 Ų | 66.5 | 83% | 0.825 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -64 | -18.3 | -179.2 | 57.5 | 0 | 0 | 0 | 0 | 114.3 | E84 | E84-S86 PolarHBondContact O-N 2.96Š|
| 87 | S | 73.1 | Confident | 77.2 | Confident | 60 Ų | 60 | 67.3 Ų | 67.3 | 42% | 0.42 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -84.7 | -15.8 | 171.8 | 48.6 | 0 | 0 | 0 | 0 | 113.5 | E84 F85 | E84-S87 PolarHBondContact O-N 3.48Å; E84-S87 PolarHBondContact O-OG 2.94Å; F85-S87 PolarHBondContact O-N 2.98Å; F85-S87 VanDerWaalsContact O-N 3.16Å |
| 88 | Y | 73.4 | Confident | 77.5 | Confident | 30 Ų | 30 | 65.5 Ų | 65.5 | 12% | 0.118 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -105.4 | 163.5 | -171.7 | -56 | -69.7 | 0 | 0 | 0 | 113.6 | E80 E84 F85 V92 F96 E178 L179 | E80-Y88 HydrophobicContact CB-CE2 4.48Å; E80-Y88 WeakPolarHBondContact CG-OH 3.34Å; E84-Y88 HydrophobicContact CB-CE2 3.77Å; E84-Y88 WeakPolarHBondContact O-CD2 3.31Å; E84-Y88 VanDerWaalsContact O-CE2 3.27Å; E84-Y88 WeakPolarHBondContact O-CE2 3.47Å; F85-Y88 PolarHBondContact O-N 3.42Å; Y88-V92 HydrophobicContact CG-CG2 4.47Å; Y88-F96 HydrophobicContact CD1-CZ 4.44Å; Y88-F96 HydrophobicContact CD2-CE1 4.43Å; Y88-F96 AromaticContact CD2-CE2 3.74Å; Y88-F96 HydrophobicContact CD2-CE2 3.74Å; Y88-F96 AromaticContact CD2-CZ 3.41Å; Y88-F96 HydrophobicContact CD2-CZ 3.41Å; Y88-F96 VanDerWaalsContact CD2-CZ 3.41Å; Y88-F96 HydrophobicContact CE2-CE1 4.36Å; Y88-F96 HydrophobicContact CE2-CE2 4.45Å; Y88-F96 AromaticContact CE2-CZ 3.7Å; Y88-F96 HydrophobicContact CE2-CZ 3.7Å; Y88-F96 HydrophobicContact CG-CE2 4.01Å; Y88-F96 AromaticContact CG-CZ 3.83Å; Y88-F96 HydrophobicContact CG-CZ 3.83Å; Y88-E178 HydrophobicContact CD1-CB 3.88Å; Y88-E178 HydrophobicContact CE1-CB 3.98Å; Y88-L179 HydrophobicContact CD1-CB 4.44Å; Y88-L179 HydrophobicContact CE1-CB 4.49Å; Y88-L179 HydrophobicContact CE1-CD1 4.49Å |
| 89 | N | 76.5 | Confident | 77.6 | Confident | 75 Ų | 75 | 61.2 Ų | 61.2 | 40% | 0.401 | 32% | 0.323 | S | S | . | . | trans | -67.8 | 140.6 | 174.9 | -167.4 | -43.1 | 0 | 0 | 0 | 111.4 | K91 V92 D176 | N89-K91 PolarHBondContact O-N 3Å; N89-K91 WeakPolarHBondContact OD1-CG 3.3Å; N89-K91 PolarHBondContact OD1-N 3.39Å; N89-K91 VanDerWaalsContact OD1-N 3.07Å; N89-V92 WeakPolarHBondContact O-CG2 3.35Å; N89-V92 PolarHBondContact O-N 2.86Å; N89-D176 WeakPolarHBondContact CB-OD2 3.45Å; N89-D176 PolarHBondContact N-OD2 2.86Å | ||
| 90 | D | 77.1 | Confident | 77.9 | Confident | 122 Ų | 122 | 65.3 Ų | 65.3 | 65% | 0.652 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -53.5 | -25.4 | 176 | -69.7 | -27.8 | 0 | 0 | 0 | 114 | F85 V92 L93 | F85-D90 WeakPolarHBondContact CZ-OD1 3.36Å; D90-V92 VanDerWaalsContact C-N 3.26Å; D90-V92 PolarHBondContact O-N 3.37Å; D90-L93 WeakPolarHBondContact O-CB 3.3Å; D90-L93 PolarHBondContact O-N 3.09Å |
| 91 | K | 79.6 | Confident | 78.8 | Confident | 145 Ų | 145 | 66.1 Ų | 66.1 | 63% | 0.63 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -64 | -26.7 | 177.7 | -68.4 | 179.7 | -178.5 | 179.6 | 0 | 114 | N89 P94 R174 | N89-K91 PolarHBondContact O-N 3Å; N89-K91 WeakPolarHBondContact OD1-CG 3.3Å; N89-K91 PolarHBondContact OD1-N 3.39Å; N89-K91 VanDerWaalsContact OD1-N 3.07Å; K91-P94 WeakPolarHBondContact O-CD 3.46Å; K91-R174 VanDerWaalsContact O-CD 3.28Å; K91-R174 WeakPolarHBondContact O-CD 3.4Å; K91-R174 PolarHBondContact O-NH1 3Å |
| 92 | V | 79.6 | Confident | 79.9 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -90.1 | -6.2 | 178.7 | -68.9 | 0 | 0 | 0 | 0 | 113.7 | Y88 N89 D90 P94 I95 F96 D176 L179 | Y88-V92 HydrophobicContact CG-CG2 4.47Å; N89-V92 WeakPolarHBondContact O-CG2 3.35Å; N89-V92 PolarHBondContact O-N 2.86Å; D90-V92 VanDerWaalsContact C-N 3.26Å; D90-V92 PolarHBondContact O-N 3.37Å; V92-P94 VanDerWaalsContact C-CD 3.45Å; V92-P94 VanDerWaalsContact C-N 3.27Å; V92-P94 VanDerWaalsContact O-N 3.12Å; V92-I95 HydrophobicContact CB-CD1 4.4Å; V92-I95 HydrophobicContact CG1-CD1 4.14Å; V92-I95 WeakPolarHBondContact O-CB 3.46Å; V92-I95 PolarHBondContact O-N 2.98Å; V92-F96 HydrophobicContact CB-CE2 4.11Å; V92-F96 HydrophobicContact CG2-CD2 4.39Å; V92-F96 HydrophobicContact CG2-CE2 3.63Å; V92-F96 HydrophobicContact CG2-CZ 4.41Å; V92-F96 WeakPolarHBondContact O-CD2 3.47Å; V92-F96 PolarHBondContact O-N 2.83Å; V92-D176 HydrophobicContact CG1-CB 3.5Å; V92-D176 HydrophobicContact CG2-CB 4.33Å; V92-L179 HydrophobicContact CB-CD2 4.1Å; V92-L179 HydrophobicContact CG1-CD2 4.04Å |
| 93 | L | 82.6 | Confident | 81.1 | Confident | 62 Ų | 62 | 61 Ų | 61 | 33% | 0.325 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -46.5 | -45 | 175.6 | -178 | 60.4 | 0 | 0 | 0 | 113.1 | F85 D90 I95 F96 L97 | F85-L93 HydrophobicContact CD1-CD1 4.38Å; F85-L93 HydrophobicContact CD2-CB 4.29Å; F85-L93 HydrophobicContact CD2-CD1 3.79Å; F85-L93 HydrophobicContact CE1-CD1 4.23Å; F85-L93 HydrophobicContact CE2-CB 3.42Å; F85-L93 VanDerWaalsContact CE2-CB 3.42Å; F85-L93 HydrophobicContact CE2-CD1 3.64Å; F85-L93 HydrophobicContact CE2-CG 4.04Å; F85-L93 HydrophobicContact CG-CD1 4.15Å; F85-L93 HydrophobicContact CZ-CB 3.69Å; F85-L93 HydrophobicContact CZ-CD1 3.84Å; F85-L93 HydrophobicContact CZ-CD2 4.18Å; F85-L93 HydrophobicContact CZ-CG 4.1Å; D90-L93 WeakPolarHBondContact O-CB 3.3Å; D90-L93 PolarHBondContact O-N 3.09Å; L93-I95 VanDerWaalsContact C-N 3.27Å; L93-I95 PolarHBondContact O-N 3.02Å; L93-F96 PolarHBondContact O-N 3.5Å; L93-L97 HydrophobicContact CD1-CD1 4.35Å; L93-L97 HydrophobicContact CD1-CG 4.25Å; L93-L97 HydrophobicContact CD2-CD1 4.5Å; L93-L97 HydrophobicContact CG-CD1 3.97Å; L93-L97 HydrophobicContact CG-CG 4.33Å; L93-L97 WeakPolarHBondContact O-CG 3.5Å; L93-L97 PolarHBondContact O-N 2.97Å |
| 94 | P | 86.1 | Confident | 82.3 | Confident | 40 Ų | 40 | 57 Ų | 57 | 26% | 0.26 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69.7 | -23.9 | -177.1 | -26.1 | 43.1 | 0 | 0 | 0 | 113.6 | K91 V92 M98 R174 | K91-P94 WeakPolarHBondContact O-CD 3.46Å; V92-P94 VanDerWaalsContact C-CD 3.45Å; V92-P94 VanDerWaalsContact C-N 3.27Å; V92-P94 VanDerWaalsContact O-N 3.12Å; P94-M98 WeakPolarHBondContact O-CB 3.42Å; P94-M98 WeakPolarHBondContact O-CG 3.11Å; P94-M98 PolarHBondContact O-N 3.39Å; P94-R174 VanDerWaalsContact CB-NH1 3.3Å; P94-R174 VanDerWaalsContact CD-NH1 3.27Å |
| 95 | I | 87.5 | Confident | 83.9 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.7 | -48.8 | 172.4 | -64.7 | 172 | 0 | 0 | 0 | 109.2 | V92 L93 L97 M98 R99 N167 Q170 E171 R174 L179 | V92-I95 HydrophobicContact CB-CD1 4.4Å; V92-I95 HydrophobicContact CG1-CD1 4.14Å; V92-I95 WeakPolarHBondContact O-CB 3.46Å; V92-I95 PolarHBondContact O-N 2.98Å; L93-I95 VanDerWaalsContact C-N 3.27Å; L93-I95 PolarHBondContact O-N 3.02Å; I95-L97 VanDerWaalsContact C-N 3.35Å; I95-L97 PolarHBondContact O-N 2.84Å; I95-M98 PolarHBondContact O-N 3.02Å; I95-R99 HydrophobicContact CG2-CG 4.45Å; I95-R99 WeakPolarHBondContact O-CG 3.35Å; I95-R99 PolarHBondContact O-N 2.86Å; I95-N167 PolarHBondContact O-OD1 3.04Å; I95-Q170 HydrophobicContact CG1-CB 4.23Å; I95-E171 HydrophobicContact CD1-CG 4.01Å; I95-E171 HydrophobicContact CG1-CG 4.29Å; I95-E171 HydrophobicContact CG2-CG 3.73Å; I95-R174 HydrophobicContact CD1-CB 4.14Å; I95-L179 HydrophobicContact CD1-CD2 4.35Å; I95-L179 HydrophobicContact CG2-CD2 4.38Å |
| 96 | F | 87.4 | Confident | 85.5 | Confident | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 178.2 | -62.4 | -64.5 | 0 | 0 | 0 | 112.1 | E80 F85 Y88 V92 L93 M98 R99 H100 L179 | E80-F96 HydrophobicContact CB-CE1 4.03Å; E80-F96 WeakPolarHBondContact O-CD1 3.26Å; F85-F96 AromaticContact CD2-CD2 3.99Å; F85-F96 HydrophobicContact CD2-CD2 3.99Å; F85-F96 HydrophobicContact CD2-CE2 4.17Å; Y88-F96 HydrophobicContact CD1-CZ 4.44Å; Y88-F96 HydrophobicContact CD2-CE1 4.43Å; Y88-F96 AromaticContact CD2-CE2 3.74Å; Y88-F96 HydrophobicContact CD2-CE2 3.74Å; Y88-F96 AromaticContact CD2-CZ 3.41Å; Y88-F96 HydrophobicContact CD2-CZ 3.41Å; Y88-F96 VanDerWaalsContact CD2-CZ 3.41Å; Y88-F96 HydrophobicContact CE2-CE1 4.36Å; Y88-F96 HydrophobicContact CE2-CE2 4.45Å; Y88-F96 AromaticContact CE2-CZ 3.7Å; Y88-F96 HydrophobicContact CE2-CZ 3.7Å; Y88-F96 HydrophobicContact CG-CE2 4.01Å; Y88-F96 AromaticContact CG-CZ 3.83Å; Y88-F96 HydrophobicContact CG-CZ 3.83Å; V92-F96 HydrophobicContact CB-CE2 4.11Å; V92-F96 HydrophobicContact CG2-CD2 4.39Å; V92-F96 HydrophobicContact CG2-CE2 3.63Å; V92-F96 HydrophobicContact CG2-CZ 4.41Å; V92-F96 WeakPolarHBondContact O-CD2 3.47Å; V92-F96 PolarHBondContact O-N 2.83Å; L93-F96 PolarHBondContact O-N 3.5Å; F96-M98 PolarHBondContact O-N 3.02Å; F96-R99 PolarHBondContact O-N 3.29Å; F96-H100 WeakPolarHBondContact O-CB 3.47Å; F96-H100 PolarHBondContact O-N 3.3Å; F96-L179 HydrophobicContact CE1-CD1 3.71Å; F96-L179 HydrophobicContact CE1-CD2 4.49Å; F96-L179 HydrophobicContact CZ-CD1 3.64Å; F96-L179 HydrophobicContact CZ-CD2 4.13Å; F96-L179 HydrophobicContact CZ-CG 4.45Å |
| 97 | L | 88.4 | Confident | 86.9 | Confident | 85 Ų | 85 | 50 Ų | 50 | 45% | 0.445 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 176 | -70.6 | 173.7 | 0 | 0 | 0 | 112.1 | L93 I95 H100 T101 | L93-L97 HydrophobicContact CD1-CD1 4.35Å; L93-L97 HydrophobicContact CD1-CG 4.25Å; L93-L97 HydrophobicContact CD2-CD1 4.5Å; L93-L97 HydrophobicContact CG-CD1 3.97Å; L93-L97 HydrophobicContact CG-CG 4.33Å; L93-L97 WeakPolarHBondContact O-CG 3.5Å; L93-L97 PolarHBondContact O-N 2.97Å; I95-L97 VanDerWaalsContact C-N 3.35Å; I95-L97 PolarHBondContact O-N 2.84Å; L97-H100 PolarHBondContact O-N 3.47Å; L97-T101 VanDerWaalsContact O-CB 3.25Å; L97-T101 WeakPolarHBondContact O-CB 3.31Å; L97-T101 PolarHBondContact O-N 3.06Å; L97-T101 PolarHBondContact O-OG1 3.35Å |
| 98 | M | 90.8 | Very high | 88 | Confident | 41 Ų | 41 | 48.8 Ų | 48.8 | 20% | 0.202 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.1 | -48.1 | 177 | -73.7 | 176 | -173.4 | 0 | 0 | 111.2 | P94 I95 F96 H100 T101 I102 I163 E166 N167 Q170 | P94-M98 WeakPolarHBondContact O-CB 3.42Å; P94-M98 WeakPolarHBondContact O-CG 3.11Å; P94-M98 PolarHBondContact O-N 3.39Å; I95-M98 PolarHBondContact O-N 3.02Å; F96-M98 PolarHBondContact O-N 3.02Å; M98-H100 VanDerWaalsContact C-N 3.29Å; M98-H100 PolarHBondContact O-N 3Å; M98-T101 PolarHBondContact O-N 3.41Å; M98-T101 VanDerWaalsContact O-N 3.15Å; M98-I102 VanDerWaalsContact O-CD1 3.31Å; M98-I102 WeakPolarHBondContact O-CD1 3.4Å; M98-I102 WeakPolarHBondContact O-CG1 3.31Å; M98-I102 PolarHBondContact O-N 3.27Å; M98-I163 HydrophobicContact CB-CG2 3.89Å; M98-I163 HydrophobicContact CG-CG2 3.92Å; M98-E166 HydrophobicContact CE-CG 3.83Å; M98-E166 HydrophobicContact SD-CG 4.11Å; M98-N167 HydrophobicContact CB-CB 3.94Å; M98-N167 HydrophobicContact SD-CB 4.18Å; M98-Q170 HydrophobicContact CE-CG 4.22Å; M98-Q170 HydrophobicContact SD-CG 4.22Å |
| 99 | R | 90.3 | Very high | 89.2 | Confident | 15 Ų | 15 | 47.3 Ų | 47.3 | 6% | 0.057 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -53.3 | -46.5 | 174.9 | -72.5 | 176.3 | -179.3 | -169.1 | -0.5 | 111.6 | R56 E80 I95 F96 N103 E171 S181 | R56-R99 VanDerWaalsContact NH2-CZ 3.35Å; R56-R99 VanDerWaalsContact NH2-NE 3.15Å; R56-R99 VanDerWaalsContact NH2-NH2 3.18Å; E80-R99 IonicContact OE2-NH1 3.4Å; E80-R99 PolarHBondContact OE2-NH1 2.92Å; I95-R99 HydrophobicContact CG2-CG 4.45Å; I95-R99 WeakPolarHBondContact O-CG 3.35Å; I95-R99 PolarHBondContact O-N 2.86Å; F96-R99 PolarHBondContact O-N 3.29Å; R99-N103 WeakPolarHBondContact O-CB 3.33Å; R99-N103 PolarHBondContact O-N 2.95Å; R99-N103 PolarHBondContact O-ND2 3.46Å; R99-E171 IonicContact CZ-OE1 3.44Å; R99-E171 VanDerWaalsContact CZ-OE1 3.27Å; R99-E171 IonicContact NE-OE1 3.5Å; R99-E171 PolarHBondContact NE-OE1 2.96Å; R99-E171 IonicContact NH2-OE1 3.4Å; R99-E171 PolarHBondContact NH2-OE1 3.48Å; R99-S181 PolarHBondContact NH1-OG 2.7Å; R99-S181 VanDerWaalsContact NH1-OG 3.13Å; R99-S181 PolarHBondContact NH2-OG 2.82Å |
| 100 | H | 90.6 | Very high | 90.1 | Very high | 103 Ų | 103 | 44.8 Ų | 44.8 | 48% | 0.477 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66.5 | -43 | 178.1 | -171 | 64.7 | 0 | 0 | 0 | 112.4 | F96 L97 M98 N103 I104 | F96-H100 WeakPolarHBondContact O-CB 3.47Å; F96-H100 PolarHBondContact O-N 3.3Å; L97-H100 PolarHBondContact O-N 3.47Å; M98-H100 VanDerWaalsContact C-N 3.29Å; M98-H100 PolarHBondContact O-N 3Å; H100-N103 WeakPolarHBondContact O-CB 3.39Å; H100-N103 PolarHBondContact O-N 2.86Å; H100-I104 WeakPolarHBondContact NE2-CD1 3.48Å; H100-I104 PolarHBondContact O-N 2.61Å |
| 101 | T | 93.2 | Very high | 91.1 | Very high | 55 Ų | 55 | 43.3 Ų | 43.3 | 34% | 0.337 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.1 | -45.4 | -178.7 | -58.8 | 0 | 0 | 0 | 0 | 112.1 | L97 M98 N103 I104 L105 I163 | L97-T101 VanDerWaalsContact O-CB 3.25Å; L97-T101 WeakPolarHBondContact O-CB 3.31Å; L97-T101 PolarHBondContact O-N 3.06Å; L97-T101 PolarHBondContact O-OG1 3.35Å; M98-T101 PolarHBondContact O-N 3.41Å; M98-T101 VanDerWaalsContact O-N 3.15Å; T101-N103 PolarHBondContact O-N 3.06Å; T101-I104 PolarHBondContact O-N 2.87Å; T101-L105 HydrophobicContact CG2-CD1 3.7Å; T101-L105 HydrophobicContact CG2-CG 4.09Å; T101-L105 WeakPolarHBondContact O-CB 3.41Å; T101-L105 VanDerWaalsContact O-CG 3.23Å; T101-L105 WeakPolarHBondContact O-CG 3.39Å; T101-L105 PolarHBondContact O-N 3.35Å; T101-I163 HydrophobicContact CG2-CD1 3.88Å |
| 102 | I | 94.3 | Very high | 91.9 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -53 | -48.9 | 177.3 | -66.7 | 155.4 | 0 | 0 | 0 | 109.7 | L58 M98 L105 Q106 I163 Y164 N167 | L58-I102 HydrophobicContact CD2-CG2 3.96Å; M98-I102 VanDerWaalsContact O-CD1 3.31Å; M98-I102 WeakPolarHBondContact O-CD1 3.4Å; M98-I102 WeakPolarHBondContact O-CG1 3.31Å; M98-I102 PolarHBondContact O-N 3.27Å; I102-L105 PolarHBondContact O-N 3.27Å; I102-Q106 WeakPolarHBondContact O-CG 3.28Å; I102-Q106 PolarHBondContact O-N 3.24Å; I102-I163 HydrophobicContact CD1-CG2 4.05Å; I102-I163 HydrophobicContact CG1-CB 3.89Å; I102-I163 HydrophobicContact CG1-CG2 3.57Å; I102-Y164 HydrophobicContact CD1-CD2 4.46Å; I102-N167 HydrophobicContact CD1-CB 4.06Å |
| 103 | N | 92.8 | Very high | 92.7 | Very high | 8 Ų | 8 | 39.8 Ų | 39.8 | 4% | 0.043 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.9 | -47.2 | -177.4 | -89.3 | -40.9 | 0 | 0 | 0 | 113.6 | Q30 L58 W59 R99 H100 T101 Q106 I107 | Q30-N103 PolarHBondContact NE2-OD1 3.13Å; L58-N103 WeakPolarHBondContact CB-OD1 3.2Å; L58-N103 PolarHBondContact O-ND2 3.22Å; W59-N103 HydrophobicContact CE3-CB 3.82Å; W59-N103 HydrophobicContact CH2-CB 3.24Å; W59-N103 WeakPolarHBondContact CH2-OD1 3.13Å; W59-N103 HydrophobicContact CZ2-CB 4.1Å; W59-N103 WeakPolarHBondContact CZ2-OD1 3.45Å; W59-N103 HydrophobicContact CZ3-CB 3.1Å; W59-N103 WeakPolarHBondContact CZ3-ND2 3.15Å; W59-N103 WeakPolarHBondContact CZ3-OD1 3.36Å; R99-N103 WeakPolarHBondContact O-CB 3.33Å; R99-N103 PolarHBondContact O-N 2.95Å; R99-N103 PolarHBondContact O-ND2 3.46Å; H100-N103 WeakPolarHBondContact O-CB 3.39Å; H100-N103 PolarHBondContact O-N 2.86Å; T101-N103 PolarHBondContact O-N 3.06Å; N103-Q106 PolarHBondContact O-N 2.95Å; N103-I107 WeakPolarHBondContact O-CG1 3.48Å; N103-I107 PolarHBondContact O-N 3.19Å |
| 104 | I | 94.2 | Very high | 93.4 | Very high | 88 Ų | 88 | 42.1 Ų | 42.1 | 45% | 0.451 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.3 | -46.2 | 175 | -73.2 | 177.7 | 0 | 0 | 0 | 110.7 | H100 T101 Q106 I107 A108 | H100-I104 WeakPolarHBondContact NE2-CD1 3.48Å; H100-I104 PolarHBondContact O-N 2.61Å; T101-I104 PolarHBondContact O-N 2.87Å; I104-Q106 PolarHBondContact O-N 2.73Å; I104-I107 PolarHBondContact O-N 3.38Å; I104-A108 WeakPolarHBondContact O-CB 3.32Å; I104-A108 PolarHBondContact O-N 3.47Å |
| 105 | L | 96.3 | Very high | 93.9 | Very high | 42 Ų | 42 | 43.8 Ų | 43.8 | 22% | 0.22 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64 | -41.5 | -177.7 | -68.1 | 174.4 | 0 | 0 | 0 | 111.7 | T101 I102 A109 I156 I159 I163 | T101-L105 HydrophobicContact CG2-CD1 3.7Å; T101-L105 HydrophobicContact CG2-CG 4.09Å; T101-L105 WeakPolarHBondContact O-CB 3.41Å; T101-L105 VanDerWaalsContact O-CG 3.23Å; T101-L105 WeakPolarHBondContact O-CG 3.39Å; T101-L105 PolarHBondContact O-N 3.35Å; I102-L105 PolarHBondContact O-N 3.27Å; L105-A109 WeakPolarHBondContact O-CB 3.28Å; L105-A109 PolarHBondContact O-N 3.41Å; L105-I156 HydrophobicContact CB-CG2 4.21Å; L105-I156 HydrophobicContact CD2-CG2 3.93Å; L105-I159 HydrophobicContact CD1-CG2 4.28Å; L105-I163 HydrophobicContact CD1-CD1 3.72Å |
| 106 | Q | 95.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67 | -45.4 | 177.4 | -70.5 | -170.5 | 24.7 | 0 | 0 | 112.1 | W35 L58 I102 N103 I104 A108 A109 I110 Y157 S160 | W35-Q106 VanDerWaalsContact CH2-NE2 3.28Å; L58-Q106 VanDerWaalsContact CD1-OE1 3.29Å; I102-Q106 WeakPolarHBondContact O-CG 3.28Å; I102-Q106 PolarHBondContact O-N 3.24Å; N103-Q106 PolarHBondContact O-N 2.95Å; I104-Q106 PolarHBondContact O-N 2.73Å; Q106-A108 PolarHBondContact O-N 2.97Å; Q106-A109 PolarHBondContact O-N 2.9Å; Q106-I110 VanDerWaalsContact O-CG1 3.3Å; Q106-I110 WeakPolarHBondContact O-CG1 3.22Å; Q106-I110 PolarHBondContact O-N 2.97Å; Q106-Y157 HydrophobicContact CB-CD2 4.45Å; Q106-Y157 HydrophobicContact CB-CE2 4.07Å; Q106-Y157 HydrophobicContact CG-CD2 4.14Å; Q106-Y157 HydrophobicContact CG-CE2 3.78Å; Q106-S160 WeakPolarHBondContact CG-OG 3.33Å; Q106-S160 PolarHBondContact NE2-OG 3.44Å |
| 107 | I | 96.1 | Very high | 94.6 | Very high | 71 Ų | 71 | 45.5 Ų | 45.5 | 36% | 0.364 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61 | -46.1 | 175.4 | -70.6 | -177.7 | 0 | 0 | 0 | 110.9 | Q30 W59 N103 I104 A109 I110 I111 | Q30-I107 HydrophobicContact CG-CG1 4.45Å; W59-I107 HydrophobicContact CH2-CD1 3.43Å; W59-I107 VanDerWaalsContact CH2-CD1 3.43Å; W59-I107 HydrophobicContact CH2-CG1 4.14Å; W59-I107 HydrophobicContact CZ2-CD1 3.74Å; W59-I107 HydrophobicContact CZ2-CG1 4.2Å; N103-I107 WeakPolarHBondContact O-CG1 3.48Å; N103-I107 PolarHBondContact O-N 3.19Å; I104-I107 PolarHBondContact O-N 3.38Å; I107-A109 VanDerWaalsContact C-N 3.31Å; I107-A109 PolarHBondContact O-N 3.25Å; I107-I110 PolarHBondContact O-N 2.86Å; I107-I111 HydrophobicContact CG2-CD1 3.7Å; I107-I111 HydrophobicContact CG2-CG1 4.38Å; I107-I111 WeakPolarHBondContact O-CG1 3.34Å; I107-I111 PolarHBondContact O-N 2.95Å |
| 108 | A | 96.8 | Very high | 94.9 | Very high | 34 Ų | 34 | 45.3 Ų | 45.3 | 28% | 0.281 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59 | -43.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | I104 Q106 I111 L112 | I104-A108 WeakPolarHBondContact O-CB 3.32Å; I104-A108 PolarHBondContact O-N 3.47Å; Q106-A108 PolarHBondContact O-N 2.97Å; A108-I111 PolarHBondContact O-N 2.84Å; A108-L112 WeakPolarHBondContact O-CB 3.45Å; A108-L112 WeakPolarHBondContact O-CG 3.31Å; A108-L112 PolarHBondContact O-N 2.97Å |
| 109 | A | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.3 | -43.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L105 Q106 I107 I111 L112 V113 T153 I156 Y157 | L105-A109 WeakPolarHBondContact O-CB 3.28Å; L105-A109 PolarHBondContact O-N 3.41Å; Q106-A109 PolarHBondContact O-N 2.9Å; I107-A109 VanDerWaalsContact C-N 3.31Å; I107-A109 PolarHBondContact O-N 3.25Å; A109-I111 VanDerWaalsContact C-N 3.35Å; A109-I111 PolarHBondContact O-N 3.49Å; A109-L112 PolarHBondContact O-N 2.69Å; A109-V113 WeakPolarHBondContact O-CG2 3.36Å; A109-V113 PolarHBondContact O-N 3.43Å; A109-T153 HydrophobicContact CB-CG2 3.98Å; A109-T153 WeakPolarHBondContact O-CG2 3.17Å; A109-I156 HydrophobicContact CB-CG2 4.34Å; A109-Y157 HydrophobicContact CB-CD2 3.84Å; A109-Y157 HydrophobicContact CB-CG 4.42Å |
| 110 | I | 96.9 | Very high | 94.9 | Very high | 22 Ų | 22 | 47 Ų | 47 | 11% | 0.113 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.6 | -47.7 | 175.8 | -68.4 | 165.4 | 0 | 0 | 0 | 110.5 | L23 A26 I27 Q106 I107 V113 F114 | L23-I110 HydrophobicContact CD2-CG2 3.93Å; L23-I110 WeakPolarHBondContact CD2-O 3.37Å; A26-I110 HydrophobicContact CB-CD1 3.97Å; A26-I110 HydrophobicContact CB-CG1 3.76Å; I27-I110 HydrophobicContact CD1-CG2 4.38Å; I27-I110 HydrophobicContact CG1-CD1 4.29Å; I27-I110 HydrophobicContact CG1-CG2 4.03Å; Q106-I110 VanDerWaalsContact O-CG1 3.3Å; Q106-I110 WeakPolarHBondContact O-CG1 3.22Å; Q106-I110 PolarHBondContact O-N 2.97Å; I107-I110 PolarHBondContact O-N 2.86Å; I110-V113 PolarHBondContact O-N 2.96Å; I110-F114 PolarHBondContact O-N 2.84Å |
| 111 | I | 97.3 | Very high | 94.8 | Very high | 91 Ų | 91 | 44.7 Ų | 44.7 | 47% | 0.467 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.5 | -44.2 | 178.7 | -67.4 | 170.8 | 0 | 0 | 0 | 111 | I107 A108 A109 V113 F114 I115 | I107-I111 HydrophobicContact CG2-CD1 3.7Å; I107-I111 HydrophobicContact CG2-CG1 4.38Å; I107-I111 WeakPolarHBondContact O-CG1 3.34Å; I107-I111 PolarHBondContact O-N 2.95Å; A108-I111 PolarHBondContact O-N 2.84Å; A109-I111 VanDerWaalsContact C-N 3.35Å; A109-I111 PolarHBondContact O-N 3.49Å; I111-V113 PolarHBondContact O-N 3.45Å; I111-F114 PolarHBondContact O-N 2.99Å; I111-I115 HydrophobicContact CG2-CD1 3.7Å; I111-I115 HydrophobicContact CG2-CG1 4.34Å; I111-I115 WeakPolarHBondContact O-CG1 3.34Å; I111-I115 PolarHBondContact O-N 3.19Å |
| 112 | L | 97.1 | Very high | 94.7 | Very high | 70 Ų | 70 | 45.6 Ų | 45.6 | 37% | 0.366 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.9 | -41.7 | 179.8 | -75.9 | 171.3 | 0 | 0 | 0 | 112.2 | A108 A109 I115 N116 T153 I156 | A108-L112 WeakPolarHBondContact O-CB 3.45Å; A108-L112 WeakPolarHBondContact O-CG 3.31Å; A108-L112 PolarHBondContact O-N 2.97Å; A109-L112 PolarHBondContact O-N 2.69Å; L112-I115 PolarHBondContact O-N 3.41Å; L112-N116 WeakPolarHBondContact O-CB 3.08Å; L112-N116 PolarHBondContact O-N 2.84Å; L112-T153 HydrophobicContact CB-CG2 3.69Å; L112-T153 HydrophobicContact CD1-CG2 4.38Å; L112-I156 HydrophobicContact CD1-CD1 3.95Å |
| 113 | V | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.7 | -45.7 | 173.8 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | E19 F22 L23 A109 I110 I111 I115 N116 I117 L150 T153 I212 | E19-V113 HydrophobicContact CB-CG1 4.27Å; F22-V113 HydrophobicContact CD1-CB 4.07Å; F22-V113 HydrophobicContact CD1-CG1 3.87Å; F22-V113 HydrophobicContact CD1-CG2 3.82Å; F22-V113 HydrophobicContact CE1-CB 3.85Å; F22-V113 HydrophobicContact CE1-CG1 4.19Å; F22-V113 HydrophobicContact CE1-CG2 3.41Å; F22-V113 VanDerWaalsContact CE1-CG2 3.41Å; F22-V113 HydrophobicContact CZ-CG2 4.19Å; L23-V113 HydrophobicContact CD2-CB 4.15Å; L23-V113 HydrophobicContact CD2-CG1 4.08Å; L23-V113 HydrophobicContact CG-CG1 4.13Å; A109-V113 WeakPolarHBondContact O-CG2 3.36Å; A109-V113 PolarHBondContact O-N 3.43Å; I110-V113 PolarHBondContact O-N 2.96Å; I111-V113 PolarHBondContact O-N 3.45Å; V113-I115 VanDerWaalsContact C-N 3.32Å; V113-I115 PolarHBondContact O-N 3.47Å; V113-N116 PolarHBondContact O-N 3.26Å; V113-N116 VanDerWaalsContact O-N 3.12Å; V113-I117 HydrophobicContact CG1-CD1 4.04Å; V113-I117 HydrophobicContact CG1-CG1 4.37Å; V113-I117 WeakPolarHBondContact O-CG1 3.44Å; V113-I117 PolarHBondContact O-N 3.01Å; V113-L150 HydrophobicContact CG1-CD2 4.28Å; V113-L150 HydrophobicContact CG2-CD2 4.21Å; V113-T153 HydrophobicContact CG2-CG2 3.64Å; V113-I212 HydrophobicContact CG2-CD1 3.28Å; V113-I212 HydrophobicContact CG2-CG1 4.21Å |
| 114 | F | 96.8 | Very high | 93.9 | Very high | 111 Ų | 111 | 49.1 Ų | 49.1 | 49% | 0.487 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.8 | -44.4 | 178.4 | -178 | -105.3 | 0 | 0 | 0 | 112.1 | L23 I110 I111 N116 I117 I118 | L23-F114 HydrophobicContact CD1-CD2 4.25Å; L23-F114 HydrophobicContact CD2-CB 4.42Å; I110-F114 PolarHBondContact O-N 2.84Å; I111-F114 PolarHBondContact O-N 2.99Å; F114-N116 VanDerWaalsContact C-N 3.34Å; F114-N116 PolarHBondContact O-N 3.06Å; F114-I117 PolarHBondContact O-N 3.47Å; F114-I118 HydrophobicContact CD1-CD1 3.85Å; F114-I118 HydrophobicContact CE1-CD1 3.35Å; F114-I118 HydrophobicContact CE1-CG1 4.5Å; F114-I118 HydrophobicContact CE2-CD1 4.3Å; F114-I118 HydrophobicContact CZ-CD1 3.62Å; F114-I118 WeakPolarHBondContact O-CG1 3.44Å; F114-I118 PolarHBondContact O-N 2.95Å; F114-I118 VanDerWaalsContact O-N 3.17Å |
| 115 | I | 96.6 | Very high | 93.3 | Very high | 76 Ų | 76 | 50.2 Ų | 50.2 | 39% | 0.39 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 175 | -69.3 | 170 | 0 | 0 | 0 | 110.9 | I111 L112 V113 I117 I118 I119 | I111-I115 HydrophobicContact CG2-CD1 3.7Å; I111-I115 HydrophobicContact CG2-CG1 4.34Å; I111-I115 WeakPolarHBondContact O-CG1 3.34Å; I111-I115 PolarHBondContact O-N 3.19Å; L112-I115 PolarHBondContact O-N 3.41Å; V113-I115 VanDerWaalsContact C-N 3.32Å; V113-I115 PolarHBondContact O-N 3.47Å; I115-I117 PolarHBondContact O-N 3.17Å; I115-I118 PolarHBondContact O-N 3.07Å; I115-I119 HydrophobicContact CG2-CD1 3.53Å; I115-I119 HydrophobicContact CG2-CG1 4.17Å; I115-I119 WeakPolarHBondContact O-CG1 3.42Å; I115-I119 PolarHBondContact O-N 3.23Å |
| 116 | N | 94.4 | Very high | 92.7 | Very high | 14 Ų | 14 | 51.9 Ų | 51.9 | 8% | 0.075 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.5 | -42.2 | -179.9 | -162.9 | -8.1 | 0 | 0 | 0 | 112 | L112 V113 F114 I118 I119 T120 G146 A149 L150 | L112-N116 WeakPolarHBondContact O-CB 3.08Å; L112-N116 PolarHBondContact O-N 2.84Å; V113-N116 PolarHBondContact O-N 3.26Å; V113-N116 VanDerWaalsContact O-N 3.12Å; F114-N116 VanDerWaalsContact C-N 3.34Å; F114-N116 PolarHBondContact O-N 3.06Å; N116-I118 VanDerWaalsContact C-N 3.34Å; N116-I118 PolarHBondContact O-N 3.47Å; N116-I119 PolarHBondContact O-N 3.49Å; N116-T120 WeakPolarHBondContact O-CB 3.39Å; N116-T120 WeakPolarHBondContact O-CG2 3.36Å; N116-T120 PolarHBondContact O-N 3.23Å; N116-T120 PolarHBondContact O-OG1 3.45Å; N116-T120 VanDerWaalsContact OD1-CG2 3.28Å; N116-T120 WeakPolarHBondContact OD1-CG2 3.4Å; N116-G146 PolarHBondContact ND2-O 2.82Å; N116-A149 VanDerWaalsContact ND2-CB 3.26Å; N116-A149 WeakPolarHBondContact ND2-CB 3.45Å; N116-L150 HydrophobicContact CB-CD2 4.42Å; N116-L150 WeakPolarHBondContact ND2-CG 3.2Å; N116-L150 PolarHBondContact ND2-N 2.61Å |
| 117 | I | 94.1 | Very high | 92 | Very high | 26 Ų | 26 | 52 Ų | 52 | 13% | 0.133 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -55.7 | -49.8 | 172.6 | -67.7 | 166.9 | 0 | 0 | 0 | 110.2 | Y16 E19 L20 L23 V113 F114 I115 T120 C121 | Y16-I117 HydrophobicContact CD1-CG2 4.45Å; Y16-I117 HydrophobicContact CE1-CG2 4.43Å; E19-I117 HydrophobicContact CB-CD1 3.92Å; E19-I117 HydrophobicContact CB-CG1 4.04Å; E19-I117 WeakPolarHBondContact OE2-CG1 3.11Å; L20-I117 HydrophobicContact CD2-CD1 4.48Å; L23-I117 HydrophobicContact CD1-CD1 3.53Å; L23-I117 HydrophobicContact CG-CD1 4.43Å; V113-I117 HydrophobicContact CG1-CD1 4.04Å; V113-I117 HydrophobicContact CG1-CG1 4.37Å; V113-I117 WeakPolarHBondContact O-CG1 3.44Å; V113-I117 PolarHBondContact O-N 3.01Å; F114-I117 PolarHBondContact O-N 3.47Å; I115-I117 PolarHBondContact O-N 3.17Å; I117-T120 PolarHBondContact O-OG1 3.33Å; I117-C121 WeakPolarHBondContact O-CB 3.3Å; I117-C121 PolarHBondContact O-N 2.97Å |
| 118 | I | 95.1 | Very high | 90.9 | Very high | 80 Ų | 80 | 52.7 Ų | 52.7 | 41% | 0.41 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.8 | -48.8 | -177.7 | -68.4 | 172.2 | 0 | 0 | 0 | 111 | F114 I115 N116 T122 | F114-I118 HydrophobicContact CD1-CD1 3.85Å; F114-I118 HydrophobicContact CE1-CD1 3.35Å; F114-I118 HydrophobicContact CE1-CG1 4.5Å; F114-I118 HydrophobicContact CE2-CD1 4.3Å; F114-I118 HydrophobicContact CZ-CD1 3.62Å; F114-I118 WeakPolarHBondContact O-CG1 3.44Å; F114-I118 PolarHBondContact O-N 2.95Å; F114-I118 VanDerWaalsContact O-N 3.17Å; I115-I118 PolarHBondContact O-N 3.07Å; N116-I118 VanDerWaalsContact C-N 3.34Å; N116-I118 PolarHBondContact O-N 3.47Å; I118-T122 VanDerWaalsContact O-CB 3.31Å; I118-T122 WeakPolarHBondContact O-CB 3.25Å; I118-T122 PolarHBondContact O-N 3.1Å; I118-T122 PolarHBondContact O-OG1 2.7Å |
| 119 | I | 93.5 | Very high | 90 | Very high | 88 Ų | 88 | 59.5 Ų | 59.5 | 45% | 0.451 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.6 | -51.2 | -177.1 | -68.9 | 174.6 | 0 | 0 | 0 | 110.4 | I115 N116 C121 T122 I123 | I115-I119 HydrophobicContact CG2-CD1 3.53Å; I115-I119 HydrophobicContact CG2-CG1 4.17Å; I115-I119 WeakPolarHBondContact O-CG1 3.42Å; I115-I119 PolarHBondContact O-N 3.23Å; N116-I119 PolarHBondContact O-N 3.49Å; I119-C121 PolarHBondContact O-N 3.38Å; I119-T122 PolarHBondContact O-N 3.49Å; I119-I123 HydrophobicContact CG2-CD1 3.7Å; I119-I123 HydrophobicContact CG2-CG1 4.46Å; I119-I123 VanDerWaalsContact O-CG1 3.3Å; I119-I123 WeakPolarHBondContact O-CG1 3.44Å; I119-I123 PolarHBondContact O-N 3.09Å |
| 120 | T | 88.7 | Confident | 88.8 | Confident | 5 Ų | 5 | 61.9 Ų | 61.9 | 3% | 0.031 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62 | -45.5 | -179.1 | 53 | 0 | 0 | 0 | 0 | 111.2 | Y16 N116 I117 T122 I123 L124 | Y16-T120 VanDerWaalsContact OH-CB 3.31Å; Y16-T120 WeakPolarHBondContact OH-CB 3.29Å; Y16-T120 PolarHBondContact OH-OG1 2.89Å; N116-T120 WeakPolarHBondContact O-CB 3.39Å; N116-T120 WeakPolarHBondContact O-CG2 3.36Å; N116-T120 PolarHBondContact O-N 3.23Å; N116-T120 PolarHBondContact O-OG1 3.45Å; N116-T120 VanDerWaalsContact OD1-CG2 3.28Å; N116-T120 WeakPolarHBondContact OD1-CG2 3.4Å; I117-T120 PolarHBondContact O-OG1 3.33Å; T120-T122 VanDerWaalsContact C-N 3.34Å; T120-T122 PolarHBondContact O-N 2.87Å; T120-I123 PolarHBondContact O-N 3.32Å; T120-L124 VanDerWaalsContact O-CG 3.31Å; T120-L124 WeakPolarHBondContact O-CG 3.26Å; T120-L124 PolarHBondContact O-N 3.36Å |
| 121 | C | 88.4 | Confident | 87.2 | Confident | 54 Ų | 54 | 65.1 Ų | 65.1 | 37% | 0.365 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 177.8 | -171.3 | 0 | 0 | 0 | 0 | 111.7 | Y16 I117 I119 I123 L124 L125 | Y16-C121 PolarHBondContact OH-N 3.23Å; I117-C121 WeakPolarHBondContact O-CB 3.3Å; I117-C121 PolarHBondContact O-N 2.97Å; I119-C121 PolarHBondContact O-N 3.38Å; C121-I123 PolarHBondContact O-N 3.27Å; C121-L124 PolarHBondContact O-N 2.95Å; C121-L125 WeakPolarHBondContact O-CB 3.3Å; C121-L125 VanDerWaalsContact O-CG 3.3Å; C121-L125 WeakPolarHBondContact O-CG 3.5Å; C121-L125 PolarHBondContact O-N 3.17Å |
| 122 | T | 89.7 | Confident | 85.7 | Confident | 74 Ų | 74 | 66.8 Ų | 66.8 | 45% | 0.454 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 177.7 | -54.2 | 0 | 0 | 0 | 0 | 111.8 | I118 I119 T120 L125 T126 | I118-T122 VanDerWaalsContact O-CB 3.31Å; I118-T122 WeakPolarHBondContact O-CB 3.25Å; I118-T122 PolarHBondContact O-N 3.1Å; I118-T122 PolarHBondContact O-OG1 2.7Å; I119-T122 PolarHBondContact O-N 3.49Å; T120-T122 VanDerWaalsContact C-N 3.34Å; T120-T122 PolarHBondContact O-N 2.87Å; T122-L125 PolarHBondContact O-N 2.92Å; T122-T126 WeakPolarHBondContact O-CB 3.31Å; T122-T126 WeakPolarHBondContact O-CG2 3.48Å; T122-T126 PolarHBondContact O-N 3.5Å; T122-T126 PolarHBondContact O-OG1 3.19Å |
| 123 | I | 88.3 | Confident | 84.2 | Confident | 60 Ų | 60 | 70.8 Ų | 70.8 | 31% | 0.308 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.7 | -40.4 | 177.1 | -65.3 | 168.7 | 0 | 0 | 0 | 111 | I119 T120 C121 T126 A127 T138 A142 | I119-I123 HydrophobicContact CG2-CD1 3.7Å; I119-I123 HydrophobicContact CG2-CG1 4.46Å; I119-I123 VanDerWaalsContact O-CG1 3.3Å; I119-I123 WeakPolarHBondContact O-CG1 3.44Å; I119-I123 PolarHBondContact O-N 3.09Å; T120-I123 PolarHBondContact O-N 3.32Å; C121-I123 PolarHBondContact O-N 3.27Å; I123-T126 WeakPolarHBondContact CA-OG1 3.39Å; I123-T126 PolarHBondContact O-OG1 2.92Å; I123-A127 WeakPolarHBondContact O-CB 3.25Å; I123-A127 PolarHBondContact O-N 3.32Å; I123-T138 HydrophobicContact CG2-CG2 3.72Å; I123-A142 HydrophobicContact CB-CB 4.25Å; I123-A142 HydrophobicContact CG2-CB 3.62Å |
| 124 | L | 81.8 | Confident | 83 | Confident | 25 Ų | 25 | 75.5 Ų | 75.5 | 13% | 0.131 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -66.6 | -41.4 | 177.5 | -68.6 | -178.6 | 0 | 0 | 0 | 112 | W8 Y16 T120 C121 A127 C128 A139 A142 | W8-L124 HydrophobicContact CH2-CD1 4.28Å; W8-L124 HydrophobicContact CH2-CD2 3.82Å; W8-L124 HydrophobicContact CZ2-CD2 3.78Å; Y16-L124 HydrophobicContact CE2-CD1 4.17Å; Y16-L124 WeakPolarHBondContact OH-CD1 3.33Å; T120-L124 VanDerWaalsContact O-CG 3.31Å; T120-L124 WeakPolarHBondContact O-CG 3.26Å; T120-L124 PolarHBondContact O-N 3.36Å; C121-L124 PolarHBondContact O-N 2.95Å; L124-A127 PolarHBondContact O-N 3.43Å; L124-C128 PolarHBondContact O-N 3.22Å; L124-C128 PolarHBondContact O-SG 3.41Å; L124-A139 HydrophobicContact CD2-CB 4.12Å; L124-A142 HydrophobicContact CD2-CB 4.08Å |
| 125 | L | 83.5 | Confident | 81.8 | Confident | 112 Ų | 112 | 72.7 Ų | 72.7 | 59% | 0.586 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -64.2 | -44.7 | 176.2 | -72.7 | 171.8 | 0 | 0 | 0 | 111.9 | C121 T122 C128 | C121-L125 WeakPolarHBondContact O-CB 3.3Å; C121-L125 VanDerWaalsContact O-CG 3.3Å; C121-L125 WeakPolarHBondContact O-CG 3.5Å; C121-L125 PolarHBondContact O-N 3.17Å; T122-L125 PolarHBondContact O-N 2.92Å; L125-C128 WeakPolarHBondContact O-CB 3.42Å; L125-C128 PolarHBondContact O-N 3.43Å |
| 126 | T | 83.2 | Confident | 80.7 | Confident | 77 Ų | 77 | 71.4 Ų | 71.4 | 47% | 0.472 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.6 | -40.4 | 175.8 | 48.9 | 0 | 0 | 0 | 0 | 111.6 | T122 I123 C128 M129 T130 | T122-T126 WeakPolarHBondContact O-CB 3.31Å; T122-T126 WeakPolarHBondContact O-CG2 3.48Å; T122-T126 PolarHBondContact O-N 3.5Å; T122-T126 PolarHBondContact O-OG1 3.19Å; I123-T126 WeakPolarHBondContact CA-OG1 3.39Å; I123-T126 PolarHBondContact O-OG1 2.92Å; T126-C128 PolarHBondContact O-N 2.93Å; T126-M129 PolarHBondContact O-N 3.39Å; T126-T130 PolarHBondContact O-N 3.29Å |
| 127 | A | 79.1 | Confident | 79.8 | Confident | 3 Ų | 3 | 77.9 Ų | 77.9 | 3% | 0.025 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -59 | -35.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I123 L124 M129 T130 R135 T138 | I123-A127 WeakPolarHBondContact O-CB 3.25Å; I123-A127 PolarHBondContact O-N 3.32Å; L124-A127 PolarHBondContact O-N 3.43Å; A127-M129 PolarHBondContact O-N 3.12Å; A127-T130 PolarHBondContact O-N 2.94Å; A127-T130 VanDerWaalsContact O-N 3.11Å; A127-T130 PolarHBondContact O-OG1 2.91Å; A127-R135 WeakPolarHBondContact O-CB 3.49Å; A127-R135 WeakPolarHBondContact O-CD 3.44Å; A127-R135 VanDerWaalsContact O-CG 3.25Å; A127-R135 WeakPolarHBondContact O-CG 3.43Å; A127-T138 HydrophobicContact CB-CG2 4.12Å |
| 128 | C | 73.7 | Confident | 79.3 | Confident | 84 Ų | 84 | 78.9 Ų | 78.9 | 57% | 0.568 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -61.4 | -25.1 | 176.1 | -68.8 | 0 | 0 | 0 | 0 | 113.7 | L124 L125 T126 | L124-C128 PolarHBondContact O-N 3.22Å; L124-C128 PolarHBondContact O-SG 3.41Å; L125-C128 WeakPolarHBondContact O-CB 3.42Å; L125-C128 PolarHBondContact O-N 3.43Å; T126-C128 PolarHBondContact O-N 2.93Å |
| 129 | M | 78.2 | Confident | 78.7 | Confident | 177 Ų | 177 | 75.3 Ų | 75.3 | 87% | 0.872 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -7 | 177.9 | -62.1 | -166 | 169.9 | 0 | 0 | 113.9 | T126 A127 | T126-M129 PolarHBondContact O-N 3.39Å; A127-M129 PolarHBondContact O-N 3.12Å |
| 130 | T | 70.7 | Confident | 78.3 | Confident | 51 Ų | 51 | 73.3 Ų | 73.3 | 31% | 0.313 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -90.7 | 154.9 | -177.2 | 58.9 | 0 | 0 | 0 | 0 | 113.3 | T126 A127 | T126-T130 PolarHBondContact O-N 3.29Å; A127-T130 PolarHBondContact O-N 2.94Å; A127-T130 VanDerWaalsContact O-N 3.11Å; A127-T130 PolarHBondContact O-OG1 2.91Å |
| 131 | P | 64.4 | Low | 78.3 | Confident | 90 Ų | 90 | 78.8 Ų | 78.8 | 58% | 0.584 | 40% | 0.401 | S | S | * | . | trans | -57.2 | 142.5 | 177 | 20.1 | -31.9 | 0 | 0 | 0 | 112.5 | K133 I134 R135 | P131-K133 VanDerWaalsContact C-N 3.31Å; P131-K133 PolarHBondContact O-N 2.67Å; P131-I134 HydrophobicContact CG-CD1 4.23Å; P131-I134 PolarHBondContact O-N 2.99Å; P131-R135 PolarHBondContact O-N 2.8Å | ||
| 132 | E | 66.8 | Low | 78.3 | Confident | 125 Ų | 125 | 76.7 Ų | 76.7 | 58% | 0.584 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -50.1 | -42.1 | -163.3 | -72.1 | -164.1 | 144.7 | 0 | 0 | 114.9 | I134 R135 Y136 | E132-I134 VanDerWaalsContact C-N 3.31Å; E132-I134 PolarHBondContact O-N 3.49Å; E132-R135 PolarHBondContact O-N 3.25Å; E132-Y136 HydrophobicContact CB-CE2 4.23Å; E132-Y136 WeakPolarHBondContact O-CD2 3.5Å; E132-Y136 PolarHBondContact O-N 3.24Å |
| 133 | K | 65.2 | Low | 78.3 | Confident | 154 Ų | 154 | 73.3 Ų | 73.3 | 67% | 0.67 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -61.9 | -36.3 | -179.3 | -79.7 | -175 | 176.7 | 179 | 0 | 113.4 | P131 I229 | P131-K133 VanDerWaalsContact C-N 3.31Å; P131-K133 PolarHBondContact O-N 2.67Å; K133-I229 HydrophobicContact CG-CD1 4.42Å |
| 134 | I | 70.6 | Confident | 78.5 | Confident | 99 Ų | 99 | 74.2 Ų | 74.2 | 51% | 0.508 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -80.4 | -38.4 | 179.8 | -60.7 | 178 | 0 | 0 | 0 | 109.6 | P131 E132 Y136 R137 T138 | P131-I134 HydrophobicContact CG-CD1 4.23Å; P131-I134 PolarHBondContact O-N 2.99Å; E132-I134 VanDerWaalsContact C-N 3.31Å; E132-I134 PolarHBondContact O-N 3.49Å; I134-Y136 PolarHBondContact O-N 2.7Å; I134-R137 PolarHBondContact O-N 2.91Å; I134-T138 PolarHBondContact O-N 2.83Å; I134-T138 PolarHBondContact O-OG1 2.91Å |
| 135 | R | 72.5 | Confident | 79 | Confident | 52 Ų | 52 | 75 Ų | 75 | 20% | 0.196 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -51.9 | -51.8 | -178 | 173.8 | 175.1 | 150.1 | -164.5 | -12 | 113.3 | A127 P131 E132 R137 T138 A139 | A127-R135 WeakPolarHBondContact O-CB 3.49Å; A127-R135 WeakPolarHBondContact O-CD 3.44Å; A127-R135 VanDerWaalsContact O-CG 3.25Å; A127-R135 WeakPolarHBondContact O-CG 3.43Å; P131-R135 PolarHBondContact O-N 2.8Å; E132-R135 PolarHBondContact O-N 3.25Å; R135-R137 PolarHBondContact O-N 3.45Å; R135-T138 PolarHBondContact O-N 3.06Å; R135-A139 WeakPolarHBondContact O-CB 3.33Å; R135-A139 PolarHBondContact O-N 3.28Å |
| 136 | Y | 72.5 | Confident | 79.5 | Confident | 50 Ų | 50 | 69.7 Ų | 69.7 | 20% | 0.196 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64 | -40.6 | -176.8 | -65.4 | -68 | 0 | 0 | 0 | 112.4 | E132 I134 Q140 E226 I229 | E132-Y136 HydrophobicContact CB-CE2 4.23Å; E132-Y136 WeakPolarHBondContact O-CD2 3.5Å; E132-Y136 PolarHBondContact O-N 3.24Å; I134-Y136 PolarHBondContact O-N 2.7Å; Y136-Q140 WeakPolarHBondContact O-CB 3.38Å; Y136-Q140 PolarHBondContact O-N 3.32Å; Y136-E226 HydrophobicContact CD1-CG 3.85Å; Y136-E226 WeakPolarHBondContact CD1-OE1 3.37Å; Y136-I229 HydrophobicContact CD2-CD1 3.64Å; Y136-I229 HydrophobicContact CD2-CG1 4.18Å; Y136-I229 HydrophobicContact CE2-CD1 3.83Å |
| 137 | R | 76.8 | Confident | 80.1 | Confident | 150 Ų | 150 | 66 Ų | 66 | 57% | 0.566 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -69.5 | -41 | -179.6 | -168.6 | 172.1 | -174.2 | -162.3 | -6.5 | 111.4 | I134 R135 Q140 Y141 | I134-R137 PolarHBondContact O-N 2.91Å; R135-R137 PolarHBondContact O-N 3.45Å; R137-Q140 PolarHBondContact O-N 3.12Å; R137-Y141 HydrophobicContact CG-CD2 3.81Å; R137-Y141 HydrophobicContact CG-CE2 3.37Å; R137-Y141 VanDerWaalsContact NE-CE2 3.33Å; R137-Y141 PolarHBondContact NE-OH 3.36Å; R137-Y141 PolarHBondContact NH2-OH 2.92Å; R137-Y141 VanDerWaalsContact NH2-OH 3.12Å; R137-Y141 WeakPolarHBondContact O-CD2 3.3Å; R137-Y141 PolarHBondContact O-N 2.98Å; R137-Y141 VanDerWaalsContact O-N 3.09Å |
| 138 | T | 82.4 | Confident | 80.9 | Confident | 46 Ų | 46 | 67.7 Ų | 67.7 | 28% | 0.282 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.6 | -44.6 | 176.4 | -55.7 | 0 | 0 | 0 | 0 | 111.3 | I123 A127 I134 R135 Q140 Y141 A142 | I123-T138 HydrophobicContact CG2-CG2 3.72Å; A127-T138 HydrophobicContact CB-CG2 4.12Å; I134-T138 PolarHBondContact O-N 2.83Å; I134-T138 PolarHBondContact O-OG1 2.91Å; R135-T138 PolarHBondContact O-N 3.06Å; T138-Q140 VanDerWaalsContact C-N 3.35Å; T138-Q140 PolarHBondContact O-N 3.22Å; T138-Y141 PolarHBondContact O-N 3.11Å; T138-A142 VanDerWaalsContact O-CB 3.27Å; T138-A142 WeakPolarHBondContact O-CB 3.32Å; T138-A142 PolarHBondContact O-N 2.82Å |
| 139 | A | 82.4 | Confident | 81.9 | Confident | 5 Ų | 5 | 65.7 Ų | 65.7 | 4% | 0.041 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | W8 L124 R135 A142 A143 E226 | W8-A139 HydrophobicContact CH2-CB 4.45Å; W8-A139 HydrophobicContact CZ2-CB 3.86Å; L124-A139 HydrophobicContact CD2-CB 4.12Å; R135-A139 WeakPolarHBondContact O-CB 3.33Å; R135-A139 PolarHBondContact O-N 3.28Å; A139-A142 PolarHBondContact O-N 3.21Å; A139-A143 PolarHBondContact O-N 2.8Å; A139-E226 WeakPolarHBondContact CB-OE2 3.39Å |
| 140 | Q | 85.4 | Confident | 82.8 | Confident | 46 Ų | 46 | 57.2 Ų | 57.2 | 22% | 0.215 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.8 | -49 | 175.3 | -166.5 | -178.4 | 9.6 | 0 | 0 | 112.4 | Y136 R137 T138 A142 A143 L144 S223 E226 | Y136-Q140 WeakPolarHBondContact O-CB 3.38Å; Y136-Q140 PolarHBondContact O-N 3.32Å; R137-Q140 PolarHBondContact O-N 3.12Å; T138-Q140 VanDerWaalsContact C-N 3.35Å; T138-Q140 PolarHBondContact O-N 3.22Å; Q140-A142 VanDerWaalsContact C-N 3.34Å; Q140-A143 PolarHBondContact O-N 2.85Å; Q140-L144 WeakPolarHBondContact O-CB 3.15Å; Q140-L144 PolarHBondContact O-N 3.3Å; Q140-S223 WeakPolarHBondContact CG-O 3.39Å; Q140-S223 PolarHBondContact NE2-O 3.44Å; Q140-E226 HydrophobicContact CB-CB 4.34Å |
| 141 | Y | 87.8 | Confident | 84.1 | Confident | 121 Ų | 121 | 60 Ų | 60 | 48% | 0.475 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -69.7 | -31.9 | 178.9 | -70.6 | -53.1 | 0 | 0 | 0 | 112.9 | R137 T138 L144 G145 | R137-Y141 HydrophobicContact CG-CD2 3.81Å; R137-Y141 HydrophobicContact CG-CE2 3.37Å; R137-Y141 VanDerWaalsContact NE-CE2 3.33Å; R137-Y141 PolarHBondContact NE-OH 3.36Å; R137-Y141 PolarHBondContact NH2-OH 2.92Å; R137-Y141 VanDerWaalsContact NH2-OH 3.12Å; R137-Y141 WeakPolarHBondContact O-CD2 3.3Å; R137-Y141 PolarHBondContact O-N 2.98Å; R137-Y141 VanDerWaalsContact O-N 3.09Å; T138-Y141 PolarHBondContact O-N 3.11Å; Y141-L144 PolarHBondContact O-N 3.01Å; Y141-G145 PolarHBondContact O-N 3.38Å |
| 142 | A | 90 | Very high | 85.7 | Confident | 10 Ų | 10 | 62 Ų | 62 | 8% | 0.083 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.4 | -46.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | I123 L124 T138 A139 Q140 G145 G146 | I123-A142 HydrophobicContact CB-CB 4.25Å; I123-A142 HydrophobicContact CG2-CB 3.62Å; L124-A142 HydrophobicContact CD2-CB 4.08Å; T138-A142 VanDerWaalsContact O-CB 3.27Å; T138-A142 WeakPolarHBondContact O-CB 3.32Å; T138-A142 PolarHBondContact O-N 2.82Å; A139-A142 PolarHBondContact O-N 3.21Å; Q140-A142 VanDerWaalsContact C-N 3.34Å; A142-G145 PolarHBondContact O-N 3.14Å; A142-G146 PolarHBondContact O-N 3.32Å |
| 143 | A | 89.3 | Confident | 87.1 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 2% | 0.017 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | A139 Q140 G147 | A139-A143 PolarHBondContact O-N 2.8Å; Q140-A143 PolarHBondContact O-N 2.85Å; A143-G147 PolarHBondContact O-N 3.37Å |
| 144 | L | 92.3 | Very high | 88.6 | Confident | 80 Ų | 80 | 49 Ų | 49 | 42% | 0.419 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.2 | -48 | 176.5 | -177.9 | 67.5 | 0 | 0 | 0 | 111.9 | Q140 Y141 A148 L220 | Q140-L144 WeakPolarHBondContact O-CB 3.15Å; Q140-L144 PolarHBondContact O-N 3.3Å; Y141-L144 PolarHBondContact O-N 3.01Å; L144-A148 WeakPolarHBondContact O-CB 3.3Å; L144-A148 PolarHBondContact O-N 2.97Å; L144-L220 HydrophobicContact CD1-CD2 3.86Å |
| 145 | G | 92.8 | Very high | 89.8 | Confident | 40 Ų | 40 | 47.2 Ų | 47.2 | 41% | 0.412 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -66.1 | -44.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y141 A142 A148 A149 | Y141-G145 PolarHBondContact O-N 3.38Å; A142-G145 PolarHBondContact O-N 3.14Å; G145-A148 PolarHBondContact O-N 3.42Å; G145-A149 WeakPolarHBondContact O-CB 3.18Å; G145-A149 PolarHBondContact O-N 3.49Å |
| 146 | G | 93.4 | Very high | 91 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.5 | -49.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | N116 A142 A148 A149 L150 | N116-G146 PolarHBondContact ND2-O 2.82Å; A142-G146 PolarHBondContact O-N 3.32Å; G146-A148 PolarHBondContact O-N 3.07Å; G146-A149 PolarHBondContact O-N 3.24Å; G146-L150 WeakPolarHBondContact O-CG 3.3Å; G146-L150 PolarHBondContact O-N 3.49Å |
| 147 | G | 94.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.9 | -41.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A143 L150 W151 S216 | A143-G147 PolarHBondContact O-N 3.37Å; G147-L150 PolarHBondContact O-N 3.17Å; G147-W151 PolarHBondContact O-N 3.46Å; G147-S216 WeakPolarHBondContact O-CB 3.17Å; G147-S216 PolarHBondContact O-OG 3.43Å |
| 148 | A | 96.2 | Very high | 93.2 | Very high | 38 Ų | 38 | 40.6 Ų | 40.6 | 31% | 0.314 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.9 | -44.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L144 G145 G146 L150 W151 F152 | L144-A148 WeakPolarHBondContact O-CB 3.3Å; L144-A148 PolarHBondContact O-N 2.97Å; G145-A148 PolarHBondContact O-N 3.42Å; G146-A148 PolarHBondContact O-N 3.07Å; A148-L150 VanDerWaalsContact C-N 3.34Å; A148-L150 PolarHBondContact O-N 3.24Å; A148-W151 WeakPolarHBondContact O-CB 3.3Å; A148-W151 PolarHBondContact O-N 2.99Å; A148-W151 VanDerWaalsContact O-N 3.17Å; A148-F152 WeakPolarHBondContact O-CD2 3.49Å; A148-F152 PolarHBondContact O-N 2.91Å; A148-F152 VanDerWaalsContact O-N 3.07Å |
| 149 | A | 96.5 | Very high | 93.9 | Very high | 41 Ų | 41 | 41.8 Ų | 41.8 | 34% | 0.339 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.1 | -36.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | N116 G145 G146 W151 T153 | N116-A149 VanDerWaalsContact ND2-CB 3.26Å; N116-A149 WeakPolarHBondContact ND2-CB 3.45Å; G145-A149 WeakPolarHBondContact O-CB 3.18Å; G145-A149 PolarHBondContact O-N 3.49Å; G146-A149 PolarHBondContact O-N 3.24Å; A149-W151 VanDerWaalsContact C-N 3.34Å; A149-T153 WeakPolarHBondContact O-CB 3.36Å; A149-T153 PolarHBondContact O-N 2.94Å; A149-T153 PolarHBondContact O-OG1 2.86Å |
| 150 | L | 96.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.3 | -40 | 171.8 | -72.4 | 174.6 | 0 | 0 | 0 | 111.4 | E19 V113 N116 G146 G147 A148 T153 G154 I212 | E19-L150 VanDerWaalsContact CD-CD1 3.47Å; E19-L150 HydrophobicContact CG-CD1 3.85Å; E19-L150 HydrophobicContact CG-CD2 3.98Å; E19-L150 WeakPolarHBondContact OE1-CD1 3.12Å; V113-L150 HydrophobicContact CG1-CD2 4.28Å; V113-L150 HydrophobicContact CG2-CD2 4.21Å; N116-L150 HydrophobicContact CB-CD2 4.42Å; N116-L150 WeakPolarHBondContact ND2-CG 3.2Å; N116-L150 PolarHBondContact ND2-N 2.61Å; G146-L150 WeakPolarHBondContact O-CG 3.3Å; G146-L150 PolarHBondContact O-N 3.49Å; G147-L150 PolarHBondContact O-N 3.17Å; A148-L150 VanDerWaalsContact C-N 3.34Å; A148-L150 PolarHBondContact O-N 3.24Å; L150-T153 PolarHBondContact O-N 3.24Å; L150-G154 PolarHBondContact O-N 3.23Å; L150-I212 HydrophobicContact CD2-CG1 4.39Å |
| 151 | W | 97.4 | Very high | 95.1 | Very high | 110 Ų | 110 | 39.5 Ų | 39.5 | 42% | 0.417 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.6 | -48.9 | 178.4 | -167.4 | 88.7 | 0 | 0 | 0 | 111.9 | G147 A148 A149 T153 G154 L155 Y213 S216 | G147-W151 PolarHBondContact O-N 3.46Å; A148-W151 WeakPolarHBondContact O-CB 3.3Å; A148-W151 PolarHBondContact O-N 2.99Å; A148-W151 VanDerWaalsContact O-N 3.17Å; A149-W151 VanDerWaalsContact C-N 3.34Å; W151-T153 VanDerWaalsContact C-N 3.32Å; W151-T153 PolarHBondContact O-N 3.4Å; W151-G154 PolarHBondContact O-N 3.2Å; W151-L155 HydrophobicContact CH2-CD2 4.41Å; W151-L155 HydrophobicContact CZ3-CD2 4.13Å; W151-L155 PolarHBondContact O-N 3.3Å; W151-Y213 AromaticContact CD1-CD1 3.92Å; W151-Y213 AromaticContact CD1-CE1 3.94Å; W151-Y213 HydrophobicContact CG-CE1 4.36Å; W151-Y213 AromaticContact NE1-CE1 3.86Å; W151-S216 WeakPolarHBondContact CB-OG 3.17Å; W151-S216 PolarHBondContact N-OG 3.07Å |
| 152 | F | 97 | Very high | 95.5 | Very high | 130 Ų | 130 | 37.8 Ų | 37.8 | 57% | 0.57 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -63.2 | -39.3 | 176.3 | -78.4 | -67.7 | 0 | 0 | 0 | 112 | A148 G154 L155 I156 | A148-F152 WeakPolarHBondContact O-CD2 3.49Å; A148-F152 PolarHBondContact O-N 2.91Å; A148-F152 VanDerWaalsContact O-N 3.07Å; F152-G154 VanDerWaalsContact C-N 3.32Å; F152-G154 PolarHBondContact O-N 3.06Å; F152-L155 WeakPolarHBondContact O-CB 3.44Å; F152-L155 PolarHBondContact O-N 3.48Å; F152-I156 WeakPolarHBondContact O-CG1 3.46Å; F152-I156 PolarHBondContact O-N 3.16Å; F152-I156 VanDerWaalsContact O-N 3.12Å |
| 153 | T | 96.6 | Very high | 95.8 | Very high | 8 Ų | 8 | 39.2 Ų | 39.2 | 5% | 0.049 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65 | -38.9 | 176.1 | -53.1 | 0 | 0 | 0 | 0 | 111.5 | A109 L112 V113 A149 L150 W151 L155 I156 Y157 I212 | A109-T153 HydrophobicContact CB-CG2 3.98Å; A109-T153 WeakPolarHBondContact O-CG2 3.17Å; L112-T153 HydrophobicContact CB-CG2 3.69Å; L112-T153 HydrophobicContact CD1-CG2 4.38Å; V113-T153 HydrophobicContact CG2-CG2 3.64Å; A149-T153 WeakPolarHBondContact O-CB 3.36Å; A149-T153 PolarHBondContact O-N 2.94Å; A149-T153 PolarHBondContact O-OG1 2.86Å; L150-T153 PolarHBondContact O-N 3.24Å; W151-T153 VanDerWaalsContact C-N 3.32Å; W151-T153 PolarHBondContact O-N 3.4Å; T153-L155 VanDerWaalsContact C-N 3.31Å; T153-L155 PolarHBondContact O-N 3.49Å; T153-I156 WeakPolarHBondContact O-CB 3.43Å; T153-I156 PolarHBondContact O-N 2.95Å; T153-Y157 PolarHBondContact O-N 3.31Å; T153-I212 HydrophobicContact CG2-CD1 3.93Å |
| 154 | G | 96.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.1 | -39 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | L150 W151 F152 Y157 F158 | L150-G154 PolarHBondContact O-N 3.23Å; W151-G154 PolarHBondContact O-N 3.2Å; F152-G154 VanDerWaalsContact C-N 3.32Å; F152-G154 PolarHBondContact O-N 3.06Å; G154-Y157 PolarHBondContact O-N 3.36Å; G154-F158 VanDerWaalsContact O-CB 3.3Å; G154-F158 WeakPolarHBondContact O-CB 3.36Å; G154-F158 PolarHBondContact O-N 3.33Å |
| 155 | L | 97.1 | Very high | 96.1 | Very high | 60 Ų | 60 | 40.5 Ų | 40.5 | 31% | 0.314 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.4 | -41.9 | 174.9 | -176 | 65.1 | 0 | 0 | 0 | 112.2 | W151 F152 T153 F158 I159 Y213 | W151-L155 HydrophobicContact CH2-CD2 4.41Å; W151-L155 HydrophobicContact CZ3-CD2 4.13Å; W151-L155 PolarHBondContact O-N 3.3Å; F152-L155 WeakPolarHBondContact O-CB 3.44Å; F152-L155 PolarHBondContact O-N 3.48Å; T153-L155 VanDerWaalsContact C-N 3.31Å; T153-L155 PolarHBondContact O-N 3.49Å; L155-F158 PolarHBondContact O-N 3.07Å; L155-I159 HydrophobicContact CD1-CD1 4.34Å; L155-I159 HydrophobicContact CD1-CG1 4.48Å; L155-I159 HydrophobicContact CG-CD1 4.01Å; L155-I159 WeakPolarHBondContact O-CB 3.14Å; L155-I159 VanDerWaalsContact O-CG1 3.25Å; L155-I159 WeakPolarHBondContact O-CG1 3.36Å; L155-I159 PolarHBondContact O-N 2.97Å; L155-Y213 VanDerWaalsContact CA-OH 3.28Å; L155-Y213 WeakPolarHBondContact CA-OH 3.34Å; L155-Y213 PolarHBondContact N-OH 3.24Å |
| 156 | I | 97 | Very high | 96.1 | Very high | 52 Ų | 52 | 42.5 Ų | 42.5 | 27% | 0.267 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59.8 | -47.6 | 175 | -66.7 | 169.3 | 0 | 0 | 0 | 110.4 | L105 A109 L112 F152 T153 I159 S160 | L105-I156 HydrophobicContact CB-CG2 4.21Å; L105-I156 HydrophobicContact CD2-CG2 3.93Å; A109-I156 HydrophobicContact CB-CG2 4.34Å; L112-I156 HydrophobicContact CD1-CD1 3.95Å; F152-I156 WeakPolarHBondContact O-CG1 3.46Å; F152-I156 PolarHBondContact O-N 3.16Å; F152-I156 VanDerWaalsContact O-N 3.12Å; T153-I156 WeakPolarHBondContact O-CB 3.43Å; T153-I156 PolarHBondContact O-N 2.95Å; I156-I159 PolarHBondContact O-N 3.33Å; I156-S160 PolarHBondContact O-N 3.1Å; I156-S160 VanDerWaalsContact O-N 3.1Å |
| 157 | Y | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64 | -42.3 | 178.6 | -163.5 | -95.5 | 0 | 0 | 0 | 111.7 | F22 A26 Q106 A109 T153 G154 S160 L161 A205 A208 C209 | F22-Y157 HydrophobicContact CE2-CD1 4.23Å; F22-Y157 HydrophobicContact CE2-CD2 4.19Å; F22-Y157 HydrophobicContact CE2-CE1 4.36Å; F22-Y157 HydrophobicContact CE2-CE2 4.33Å; F22-Y157 HydrophobicContact CE2-CG 4.14Å; F22-Y157 HydrophobicContact CZ-CD2 4.06Å; F22-Y157 HydrophobicContact CZ-CE2 4.32Å; F22-Y157 HydrophobicContact CZ-CG 4.33Å; A26-Y157 HydrophobicContact CB-CE2 4.1Å; Q106-Y157 HydrophobicContact CB-CD2 4.45Å; Q106-Y157 HydrophobicContact CB-CE2 4.07Å; Q106-Y157 HydrophobicContact CG-CD2 4.14Å; Q106-Y157 HydrophobicContact CG-CE2 3.78Å; A109-Y157 HydrophobicContact CB-CD2 3.84Å; A109-Y157 HydrophobicContact CB-CG 4.42Å; T153-Y157 PolarHBondContact O-N 3.31Å; G154-Y157 PolarHBondContact O-N 3.36Å; Y157-S160 WeakPolarHBondContact O-CB 3.34Å; Y157-S160 PolarHBondContact O-N 3.12Å; Y157-S160 VanDerWaalsContact O-N 3.17Å; Y157-S160 PolarHBondContact O-OG 2.91Å; Y157-L161 HydrophobicContact CD1-CD1 4.37Å; Y157-L161 HydrophobicContact CE1-CD1 4.27Å; Y157-L161 HydrophobicContact CE1-CG 4.45Å; Y157-L161 PolarHBondContact O-N 3.23Å; Y157-A205 WeakPolarHBondContact CE1-O 3.15Å; Y157-A208 HydrophobicContact CE1-CB 4.35Å; Y157-C209 HydrophobicContact CD1-CB 3.94Å; Y157-C209 HydrophobicContact CE1-CB 4.27Å |
| 158 | F | 97.6 | Very high | 95.6 | Very high | 61 Ų | 61 | 43.3 Ų | 43.3 | 27% | 0.268 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.9 | -45.2 | 176 | 177.6 | -104.4 | 0 | 0 | 0 | 112.5 | G154 L155 S160 L161 L162 W206 | G154-F158 VanDerWaalsContact O-CB 3.3Å; G154-F158 WeakPolarHBondContact O-CB 3.36Å; G154-F158 PolarHBondContact O-N 3.33Å; L155-F158 PolarHBondContact O-N 3.07Å; F158-S160 PolarHBondContact O-N 3.03Å; F158-L161 WeakPolarHBondContact O-CB 3.32Å; F158-L161 PolarHBondContact O-N 2.85Å; F158-L161 VanDerWaalsContact O-N 3.07Å; F158-L162 HydrophobicContact CD1-CD1 4.15Å; F158-L162 HydrophobicContact CD1-CG 4.49Å; F158-L162 HydrophobicContact CE1-CD1 3.58Å; F158-L162 HydrophobicContact CE1-CG 4.09Å; F158-L162 HydrophobicContact CZ-CD1 4.07Å; F158-L162 HydrophobicContact CZ-CD2 4.19Å; F158-L162 HydrophobicContact CZ-CG 4.23Å; F158-L162 PolarHBondContact O-N 3.26Å; F158-L162 VanDerWaalsContact O-N 3.12Å; F158-W206 HydrophobicContact CD2-CH2 4.09Å; F158-W206 AromaticContact CD2-CZ3 3.89Å; F158-W206 HydrophobicContact CD2-CZ3 3.89Å; F158-W206 AromaticContact CE2-CH2 3.58Å; F158-W206 HydrophobicContact CE2-CH2 3.58Å; F158-W206 AromaticContact CE2-CZ3 3.63Å; F158-W206 HydrophobicContact CE2-CZ3 3.63Å |
| 159 | I | 97.4 | Very high | 95.2 | Very high | 72 Ų | 72 | 43.6 Ų | 43.6 | 37% | 0.369 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.2 | -39.3 | 175.5 | -70.3 | 165.9 | 0 | 0 | 0 | 110.4 | L105 L155 I156 L161 L162 I163 | L105-I159 HydrophobicContact CD1-CG2 4.28Å; L155-I159 HydrophobicContact CD1-CD1 4.34Å; L155-I159 HydrophobicContact CD1-CG1 4.48Å; L155-I159 HydrophobicContact CG-CD1 4.01Å; L155-I159 WeakPolarHBondContact O-CB 3.14Å; L155-I159 VanDerWaalsContact O-CG1 3.25Å; L155-I159 WeakPolarHBondContact O-CG1 3.36Å; L155-I159 PolarHBondContact O-N 2.97Å; I156-I159 PolarHBondContact O-N 3.33Å; I159-L161 VanDerWaalsContact C-N 3.27Å; I159-L161 PolarHBondContact O-N 3.35Å; I159-L162 PolarHBondContact O-N 3.41Å; I159-L162 VanDerWaalsContact O-N 3.16Å; I159-I163 HydrophobicContact CG2-CD1 3.83Å; I159-I163 HydrophobicContact CG2-CG1 4.31Å; I159-I163 WeakPolarHBondContact O-CG1 3.19Å; I159-I163 PolarHBondContact O-N 3.43Å |
| 160 | S | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.1 | -36.5 | 176.3 | 86.6 | 0 | 0 | 0 | 0 | 112.8 | Q106 I156 Y157 F158 I163 Y164 | Q106-S160 WeakPolarHBondContact CG-OG 3.33Å; Q106-S160 PolarHBondContact NE2-OG 3.44Å; I156-S160 PolarHBondContact O-N 3.1Å; I156-S160 VanDerWaalsContact O-N 3.1Å; Y157-S160 WeakPolarHBondContact O-CB 3.34Å; Y157-S160 PolarHBondContact O-N 3.12Å; Y157-S160 VanDerWaalsContact O-N 3.17Å; Y157-S160 PolarHBondContact O-OG 2.91Å; F158-S160 PolarHBondContact O-N 3.03Å; S160-I163 PolarHBondContact O-N 3.08Å; S160-Y164 PolarHBondContact O-N 3.4Å |
| 161 | L | 96.5 | Very high | 94 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.1 | -39.2 | 176.1 | -63.1 | 177.6 | 0 | 0 | 0 | 111.4 | W35 Y157 F158 I159 Y164 Y165 A205 W206 C209 | W35-L161 HydrophobicContact CH2-CD2 3.94Å; W35-L161 HydrophobicContact CZ3-CD2 4.09Å; Y157-L161 HydrophobicContact CD1-CD1 4.37Å; Y157-L161 HydrophobicContact CE1-CD1 4.27Å; Y157-L161 HydrophobicContact CE1-CG 4.45Å; Y157-L161 PolarHBondContact O-N 3.23Å; F158-L161 WeakPolarHBondContact O-CB 3.32Å; F158-L161 PolarHBondContact O-N 2.85Å; F158-L161 VanDerWaalsContact O-N 3.07Å; I159-L161 VanDerWaalsContact C-N 3.27Å; I159-L161 PolarHBondContact O-N 3.35Å; L161-Y164 WeakPolarHBondContact O-CB 3.35Å; L161-Y164 PolarHBondContact O-N 3.22Å; L161-Y165 WeakPolarHBondContact O-CD2 3.41Å; L161-Y165 PolarHBondContact O-N 3.45Å; L161-A205 HydrophobicContact CD2-CB 3.82Å; L161-W206 HydrophobicContact CB-CZ2 4.47Å; L161-W206 HydrophobicContact CD1-CD2 3.93Å; L161-W206 HydrophobicContact CD1-CE3 4.11Å; L161-W206 HydrophobicContact CD1-CG 4.32Å; L161-W206 HydrophobicContact CD1-CZ3 4.48Å; L161-C209 HydrophobicContact CD1-CB 3.96Å |
| 162 | L | 96.8 | Very high | 93.2 | Very high | 86 Ų | 86 | 41.1 Ų | 41.1 | 45% | 0.45 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.2 | -43.9 | 174.9 | -65.3 | -177.6 | 0 | 0 | 0 | 111.8 | F158 I159 Y164 Y165 E166 | F158-L162 HydrophobicContact CD1-CD1 4.15Å; F158-L162 HydrophobicContact CD1-CG 4.49Å; F158-L162 HydrophobicContact CE1-CD1 3.58Å; F158-L162 HydrophobicContact CE1-CG 4.09Å; F158-L162 HydrophobicContact CZ-CD1 4.07Å; F158-L162 HydrophobicContact CZ-CD2 4.19Å; F158-L162 HydrophobicContact CZ-CG 4.23Å; F158-L162 PolarHBondContact O-N 3.26Å; F158-L162 VanDerWaalsContact O-N 3.12Å; I159-L162 PolarHBondContact O-N 3.41Å; I159-L162 VanDerWaalsContact O-N 3.16Å; L162-Y164 PolarHBondContact O-N 2.74Å; L162-Y165 PolarHBondContact O-N 3.48Å; L162-E166 PolarHBondContact O-N 3.42Å |
| 163 | I | 95.7 | Very high | 92.2 | Very high | 39 Ų | 39 | 43.4 Ų | 43.4 | 20% | 0.2 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.1 | -34.1 | 176.6 | -61.7 | 168.7 | 0 | 0 | 0 | 110.4 | M98 T101 I102 L105 I159 S160 E166 N167 | M98-I163 HydrophobicContact CB-CG2 3.89Å; M98-I163 HydrophobicContact CG-CG2 3.92Å; T101-I163 HydrophobicContact CG2-CD1 3.88Å; I102-I163 HydrophobicContact CD1-CG2 4.05Å; I102-I163 HydrophobicContact CG1-CB 3.89Å; I102-I163 HydrophobicContact CG1-CG2 3.57Å; L105-I163 HydrophobicContact CD1-CD1 3.72Å; I159-I163 HydrophobicContact CG2-CD1 3.83Å; I159-I163 HydrophobicContact CG2-CG1 4.31Å; I159-I163 WeakPolarHBondContact O-CG1 3.19Å; I159-I163 PolarHBondContact O-N 3.43Å; S160-I163 PolarHBondContact O-N 3.08Å; I163-E166 PolarHBondContact O-N 3.09Å; I163-N167 WeakPolarHBondContact O-CB 3.47Å; I163-N167 PolarHBondContact O-N 2.87Å |
| 164 | Y | 94.5 | Very high | 91 | Very high | 12 Ų | 12 | 46.5 Ų | 46.5 | 5% | 0.047 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.5 | -47.1 | 174.2 | 172.8 | -89.5 | 0 | 0 | 0 | 112.7 | W35 L58 I102 S160 L161 L162 E166 N167 M168 I202 | W35-Y164 HydrophobicContact CB-CE2 4.29Å; W35-Y164 HydrophobicContact CD2-CE2 4.3Å; W35-Y164 HydrophobicContact CE3-CD1 4.24Å; W35-Y164 AromaticContact CE3-CD2 3.79Å; W35-Y164 HydrophobicContact CE3-CD2 3.79Å; W35-Y164 HydrophobicContact CE3-CE1 4.09Å; W35-Y164 AromaticContact CE3-CE2 3.59Å; W35-Y164 HydrophobicContact CE3-CE2 3.59Å; W35-Y164 HydrophobicContact CE3-CG 4.12Å; W35-Y164 AromaticContact CE3-CZ 3.76Å; W35-Y164 HydrophobicContact CZ3-CD1 4.29Å; W35-Y164 HydrophobicContact CZ3-CD2 4.06Å; W35-Y164 HydrophobicContact CZ3-CE2 4.32Å; W35-Y164 HydrophobicContact CZ3-CG 4.05Å; W35-Y164 PolarHBondContact O-OH 3.31Å; L58-Y164 HydrophobicContact CD2-CD2 3.97Å; L58-Y164 HydrophobicContact CD2-CE2 4.25Å; I102-Y164 HydrophobicContact CD1-CD2 4.46Å; S160-Y164 PolarHBondContact O-N 3.4Å; L161-Y164 WeakPolarHBondContact O-CB 3.35Å; L161-Y164 PolarHBondContact O-N 3.22Å; L162-Y164 PolarHBondContact O-N 2.74Å; Y164-E166 VanDerWaalsContact C-N 3.33Å; Y164-E166 PolarHBondContact O-N 3.11Å; Y164-N167 PolarHBondContact O-N 2.95Å; Y164-M168 HydrophobicContact CD1-CG 4.43Å; Y164-M168 HydrophobicContact CE1-CG 3.85Å; Y164-M168 HydrophobicContact CE2-CG 4.23Å; Y164-M168 WeakPolarHBondContact O-CG 3.22Å; Y164-M168 PolarHBondContact O-N 2.89Å; Y164-I202 HydrophobicContact CD1-CD1 4.12Å; Y164-I202 HydrophobicContact CE1-CD1 3.31Å |
| 165 | Y | 93.5 | Very high | 89.3 | Confident | 97 Ų | 97 | 52 Ų | 52 | 38% | 0.38 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64 | -39.9 | 176.6 | -74.6 | -71.3 | 0 | 0 | 0 | 112.2 | L161 L162 M168 S169 I202 W206 | L161-Y165 WeakPolarHBondContact O-CD2 3.41Å; L161-Y165 PolarHBondContact O-N 3.45Å; L162-Y165 PolarHBondContact O-N 3.48Å; Y165-M168 PolarHBondContact O-N 3.46Å; Y165-S169 PolarHBondContact O-N 3.46Å; Y165-I202 WeakPolarHBondContact OH-CG2 3.23Å; Y165-W206 AromaticContact CE2-CZ2 3.84Å; Y165-W206 HydrophobicContact CE2-CZ2 3.84Å; Y165-W206 AromaticContact CE2-NE1 3.57Å; Y165-W206 AromaticContact CZ-NE1 3.74Å; Y165-W206 PolarHBondContact OH-NE1 3.26Å |
| 166 | E | 93 | Very high | 87.7 | Confident | 82 Ų | 82 | 49.9 Ų | 49.9 | 38% | 0.383 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.9 | -42.5 | 175.7 | -174.6 | 57.7 | -154.9 | 0 | 0 | 111.2 | M98 L162 I163 Y164 M168 S169 Q170 | M98-E166 HydrophobicContact CE-CG 3.83Å; M98-E166 HydrophobicContact SD-CG 4.11Å; L162-E166 PolarHBondContact O-N 3.42Å; I163-E166 PolarHBondContact O-N 3.09Å; Y164-E166 VanDerWaalsContact C-N 3.33Å; Y164-E166 PolarHBondContact O-N 3.11Å; E166-M168 VanDerWaalsContact C-N 3.35Å; E166-M168 PolarHBondContact O-N 3.37Å; E166-S169 WeakPolarHBondContact O-CA 3.22Å; E166-S169 VanDerWaalsContact O-CB 3.32Å; E166-S169 WeakPolarHBondContact O-CB 3.42Å; E166-S169 PolarHBondContact O-N 2.98Å; E166-S169 VanDerWaalsContact O-N 3.11Å; E166-Q170 HydrophobicContact CG-CG 4.4Å; E166-Q170 WeakPolarHBondContact O-CG 3.21Å; E166-Q170 PolarHBondContact O-N 2.91Å; E166-Q170 PolarHBondContact OE1-NE2 3.37Å |
| 167 | N | 89.9 | Confident | 86.3 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.016 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.2 | -46.3 | 175.9 | -176.4 | 67 | 0 | 0 | 0 | 111.6 | I95 M98 I102 I163 Y164 S169 Q170 E171 | I95-N167 PolarHBondContact O-OD1 3.04Å; M98-N167 HydrophobicContact CB-CB 3.94Å; M98-N167 HydrophobicContact SD-CB 4.18Å; I102-N167 HydrophobicContact CD1-CB 4.06Å; I163-N167 WeakPolarHBondContact O-CB 3.47Å; I163-N167 PolarHBondContact O-N 2.87Å; Y164-N167 PolarHBondContact O-N 2.95Å; N167-S169 VanDerWaalsContact C-N 3.26Å; N167-S169 PolarHBondContact O-N 2.95Å; N167-Q170 PolarHBondContact O-N 3.5Å; N167-E171 PolarHBondContact ND2-OE1 3.05Å; N167-E171 WeakPolarHBondContact O-CG 3.45Å; N167-E171 PolarHBondContact O-N 3.48Å |
| 168 | M | 86.7 | Confident | 85.1 | Confident | 16 Ų | 16 | 57.7 Ų | 57.7 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.7 | -36.3 | 175.9 | -75 | -64.2 | -58.6 | 0 | 0 | 112.3 | A36 Y38 Y164 Y165 E166 N172 Y196 | A36-M168 HydrophobicContact CB-CE 4.48Å; Y38-M168 WeakPolarHBondContact OH-CE 3.22Å; Y164-M168 HydrophobicContact CD1-CG 4.43Å; Y164-M168 HydrophobicContact CE1-CG 3.85Å; Y164-M168 HydrophobicContact CE2-CG 4.23Å; Y164-M168 WeakPolarHBondContact O-CG 3.22Å; Y164-M168 PolarHBondContact O-N 2.89Å; Y165-M168 PolarHBondContact O-N 3.46Å; E166-M168 VanDerWaalsContact C-N 3.35Å; E166-M168 PolarHBondContact O-N 3.37Å; M168-N172 PolarHBondContact O-ND2 2.99Å; M168-Y196 HydrophobicContact CE-CD2 4.25Å; M168-Y196 HydrophobicContact CE-CE2 3.43Å; M168-Y196 VanDerWaalsContact CE-CE2 3.43Å |
| 169 | S | 87.7 | Confident | 84 | Confident | 44 Ų | 44 | 54.8 Ų | 54.8 | 31% | 0.308 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65 | -51.7 | 173.5 | -174.6 | 0 | 0 | 0 | 0 | 111 | Y165 E166 N167 E171 N172 Y173 | Y165-S169 PolarHBondContact O-N 3.46Å; E166-S169 WeakPolarHBondContact O-CA 3.22Å; E166-S169 VanDerWaalsContact O-CB 3.32Å; E166-S169 WeakPolarHBondContact O-CB 3.42Å; E166-S169 PolarHBondContact O-N 2.98Å; E166-S169 VanDerWaalsContact O-N 3.11Å; N167-S169 VanDerWaalsContact C-N 3.26Å; N167-S169 PolarHBondContact O-N 2.95Å; S169-E171 VanDerWaalsContact C-N 3.29Å; S169-E171 PolarHBondContact O-N 3.49Å; S169-N172 WeakPolarHBondContact O-CB 3.3Å; S169-N172 PolarHBondContact O-N 3.47Å; S169-Y173 WeakPolarHBondContact O-CD2 3.34Å |
| 170 | Q | 85.8 | Confident | 82.9 | Confident | 36 Ų | 36 | 55.5 Ų | 55.5 | 17% | 0.168 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.4 | -37.2 | -178.3 | -66.4 | -64.1 | -23.5 | 0 | 0 | 112.6 | I95 M98 E166 N167 N172 Y173 R174 | I95-Q170 HydrophobicContact CG1-CB 4.23Å; M98-Q170 HydrophobicContact CE-CG 4.22Å; M98-Q170 HydrophobicContact SD-CG 4.22Å; E166-Q170 HydrophobicContact CG-CG 4.4Å; E166-Q170 WeakPolarHBondContact O-CG 3.21Å; E166-Q170 PolarHBondContact O-N 2.91Å; E166-Q170 PolarHBondContact OE1-NE2 3.37Å; N167-Q170 PolarHBondContact O-N 3.5Å; Q170-N172 PolarHBondContact O-N 2.99Å; Q170-Y173 PolarHBondContact O-N 3.36Å; Q170-Y173 VanDerWaalsContact O-N 3.11Å; Q170-R174 PolarHBondContact O-N 3.37Å |
| 171 | E | 83 | Confident | 81.8 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.3 | -18.6 | 175.7 | -75.5 | 178.7 | 179.9 | 0 | 0 | 114.1 | R56 I95 R99 N167 S169 A182 S184 | R56-E171 IonicContact CZ-OE1 3.67Å; R56-E171 IonicContact CZ-OE2 3.68Å; R56-E171 IonicContact NH1-OE1 2.91Å; R56-E171 PolarHBondContact NH1-OE1 3.4Å; R56-E171 IonicContact NH1-OE2 2.89Å; R56-E171 PolarHBondContact NH1-OE2 3.04Å; R56-E171 IonicContact NH2-OE1 2.66Å; R56-E171 PolarHBondContact NH2-OE1 3.45Å; R56-E171 IonicContact NH2-OE2 2.92Å; R56-E171 PolarHBondContact NH2-OE2 3.29Å; I95-E171 HydrophobicContact CD1-CG 4.01Å; I95-E171 HydrophobicContact CG1-CG 4.29Å; I95-E171 HydrophobicContact CG2-CG 3.73Å; R99-E171 IonicContact CZ-OE1 3.44Å; R99-E171 VanDerWaalsContact CZ-OE1 3.27Å; R99-E171 IonicContact NE-OE1 3.5Å; R99-E171 PolarHBondContact NE-OE1 2.96Å; R99-E171 IonicContact NH2-OE1 3.4Å; R99-E171 PolarHBondContact NH2-OE1 3.48Å; N167-E171 PolarHBondContact ND2-OE1 3.05Å; N167-E171 WeakPolarHBondContact O-CG 3.45Å; N167-E171 PolarHBondContact O-N 3.48Å; S169-E171 VanDerWaalsContact C-N 3.29Å; S169-E171 PolarHBondContact O-N 3.49Å; E171-A182 HydrophobicContact CB-CB 4.42Å; E171-A182 HydrophobicContact CG-CB 4.33Å; E171-S184 VanDerWaalsContact O-CB 3.27Å; E171-S184 WeakPolarHBondContact O-CB 3.14Å; E171-S184 PolarHBondContact O-N 2.83Å; E171-S184 PolarHBondContact O-OG 3.43Å |
| 172 | N | 80.3 | Confident | 80.6 | Confident | 62 Ų | 62 | 55.4 Ų | 55.4 | 33% | 0.332 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -82.6 | -24.4 | 174.4 | -65.2 | -39.9 | 0 | 0 | 0 | 112.8 | M168 S169 Q170 R183 | M168-N172 PolarHBondContact O-ND2 2.99Å; S169-N172 WeakPolarHBondContact O-CB 3.3Å; S169-N172 PolarHBondContact O-N 3.47Å; Q170-N172 PolarHBondContact O-N 2.99Å; N172-R183 VanDerWaalsContact OD1-CD 3.28Å; N172-R183 WeakPolarHBondContact OD1-CD 3.48Å |
| 173 | Y | 75.7 | Confident | 79.5 | Confident | 179 Ų | 179 | 54 Ų | 54 | 70% | 0.702 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -109.5 | -31.5 | -170.3 | -63.3 | -70.4 | 0 | 0 | 0 | 114.1 | S169 Q170 L175 | S169-Y173 WeakPolarHBondContact O-CD2 3.34Å; Q170-Y173 PolarHBondContact O-N 3.36Å; Q170-Y173 VanDerWaalsContact O-N 3.11Å; Y173-L175 PolarHBondContact O-N 3.11Å |
| 174 | R | 71.2 | Confident | 78.4 | Confident | 72 Ų | 72 | 52.4 Ų | 52.4 | 27% | 0.272 | 25% | 0.246 | S | C | . | . | trans | -91 | 98.9 | -175.1 | -61.3 | -164.9 | -170.7 | -179.6 | 8 | 111 | K91 P94 I95 Q170 D176 S184 | K91-R174 VanDerWaalsContact O-CD 3.28Å; K91-R174 WeakPolarHBondContact O-CD 3.4Å; K91-R174 PolarHBondContact O-NH1 3Å; P94-R174 VanDerWaalsContact CB-NH1 3.3Å; P94-R174 VanDerWaalsContact CD-NH1 3.27Å; I95-R174 HydrophobicContact CD1-CB 4.14Å; Q170-R174 PolarHBondContact O-N 3.37Å; R174-D176 PolarHBondContact O-N 3.42Å; R174-S184 WeakPolarHBondContact O-CB 3.46Å; R174-S184 PolarHBondContact O-OG 2.84Å | ||
| 175 | L | 61.3 | Low | 77.3 | Confident | 116 Ų | 116 | 52.6 Ų | 52.6 | 61% | 0.607 | 25% | 0.25 | S | C | * | . | trans | -75.7 | 120 | -177.6 | -159.6 | 111 | 0 | 0 | 0 | 111.6 | Y173 S184 | Y173-L175 PolarHBondContact O-N 3.11Å; L175-S184 WeakPolarHBondContact CD1-O 3.38Å | ||
| 176 | D | 64 | Low | 76.7 | Confident | 16 Ų | 16 | 48.6 Ų | 48.6 | 9% | 0.086 | 23% | 0.234 | C | C | . | . | trans | -141.4 | 119.3 | 160.7 | -170.4 | -24.5 | 0 | 0 | 0 | 107.5 | N89 V92 R174 E178 L179 A185 | N89-D176 WeakPolarHBondContact CB-OD2 3.45Å; N89-D176 PolarHBondContact N-OD2 2.86Å; V92-D176 HydrophobicContact CG1-CB 3.5Å; V92-D176 HydrophobicContact CG2-CB 4.33Å; R174-D176 PolarHBondContact O-N 3.42Å; D176-E178 PolarHBondContact O-N 3.29Å; D176-E178 PolarHBondContact OD1-N 3.47Å; D176-L179 HydrophobicContact CB-CB 4.34Å; D176-L179 PolarHBondContact O-N 2.82Å; D176-A185 WeakPolarHBondContact O-CB 3.4Å | ||
| 177 | T | 67.2 | Low | 76.1 | Confident | 101 Ų | 101 | 48.7 Ų | 48.7 | 62% | 0.62 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -69.9 | -18.4 | -176 | 46.6 | 0 | 0 | 0 | 0 | 113.1 | ||
| 178 | E | 72.2 | Confident | 75.7 | Confident | 115 Ų | 115 | 52.3 Ų | 52.3 | 54% | 0.537 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -82.3 | -25.3 | 177.9 | -61.7 | -161.6 | -178.7 | 0 | 0 | 112.4 | Y88 D176 K180 | Y88-E178 HydrophobicContact CD1-CB 3.88Å; Y88-E178 HydrophobicContact CE1-CB 3.98Å; D176-E178 PolarHBondContact O-N 3.29Å; D176-E178 PolarHBondContact OD1-N 3.47Å; E178-K180 VanDerWaalsContact C-N 3.28Å; E178-K180 PolarHBondContact O-N 3.36Å |
| 179 | L | 75.5 | Confident | 75.5 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -82 | 68.9 | 177.3 | -172.1 | 58.1 | 0 | 0 | 0 | 111.3 | E80 Y88 V92 I95 F96 D176 S181 A182 A185 | E80-L179 HydrophobicContact CB-CD1 4.04Å; E80-L179 HydrophobicContact CG-CD1 4.23Å; Y88-L179 HydrophobicContact CD1-CB 4.44Å; Y88-L179 HydrophobicContact CE1-CB 4.49Å; Y88-L179 HydrophobicContact CE1-CD1 4.49Å; V92-L179 HydrophobicContact CB-CD2 4.1Å; V92-L179 HydrophobicContact CG1-CD2 4.04Å; I95-L179 HydrophobicContact CD1-CD2 4.35Å; I95-L179 HydrophobicContact CG2-CD2 4.38Å; F96-L179 HydrophobicContact CE1-CD1 3.71Å; F96-L179 HydrophobicContact CE1-CD2 4.49Å; F96-L179 HydrophobicContact CZ-CD1 3.64Å; F96-L179 HydrophobicContact CZ-CD2 4.13Å; F96-L179 HydrophobicContact CZ-CG 4.45Å; D176-L179 HydrophobicContact CB-CB 4.34Å; D176-L179 PolarHBondContact O-N 2.82Å; L179-S181 PolarHBondContact O-N 2.72Å; L179-A182 HydrophobicContact CB-CB 4.37Å; L179-A182 HydrophobicContact CD2-CB 3.74Å; L179-A182 HydrophobicContact CG-CB 3.77Å; L179-A182 WeakPolarHBondContact O-CB 3.46Å; L179-A182 PolarHBondContact O-N 3.47Å; L179-A185 WeakPolarHBondContact O-CB 3.28Å | ||
| 180 | K | 73.3 | Confident | 75.1 | Confident | 86 Ų | 86 | 54.3 Ų | 54.3 | 37% | 0.374 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -28.8 | -174.3 | -69.4 | -168.1 | 173.3 | -162.9 | 0 | 114.2 | D48 N50 E178 A182 W186 | D48-K180 IonicContact OD1-NZ 3.27Å; D48-K180 PolarHBondContact OD1-NZ 2.89Å; D48-K180 IonicContact OD2-NZ 2.71Å; N50-K180 PolarHBondContact OD1-O 2.87Å; E178-K180 VanDerWaalsContact C-N 3.28Å; E178-K180 PolarHBondContact O-N 3.36Å; K180-A182 VanDerWaalsContact C-N 3.3Å; K180-A182 PolarHBondContact O-N 2.95Å; K180-W186 PolarHBondContact O-NE1 2.73Å |
| 181 | S | 74.4 | Confident | 74.9 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.007 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -23.1 | 175.4 | 68.4 | 0 | 0 | 0 | 0 | 114.6 | E80 R99 L179 | E80-S181 WeakPolarHBondContact OE1-CB 3.37Å; E80-S181 PolarHBondContact OE1-N 2.92Å; E80-S181 PolarHBondContact OE1-OG 3.31Å; E80-S181 WeakPolarHBondContact OE2-CB 3.46Å; E80-S181 PolarHBondContact OE2-OG 3.31Å; R99-S181 PolarHBondContact NH1-OG 2.7Å; R99-S181 VanDerWaalsContact NH1-OG 3.13Å; R99-S181 PolarHBondContact NH2-OG 2.82Å; L179-S181 PolarHBondContact O-N 2.72Å |
| 182 | A | 71.8 | Confident | 74.9 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -81.2 | 137.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | E171 L179 K180 S184 A185 W186 | E171-A182 HydrophobicContact CB-CB 4.42Å; E171-A182 HydrophobicContact CG-CB 4.33Å; L179-A182 HydrophobicContact CB-CB 4.37Å; L179-A182 HydrophobicContact CD2-CB 3.74Å; L179-A182 HydrophobicContact CG-CB 3.77Å; L179-A182 WeakPolarHBondContact O-CB 3.46Å; L179-A182 PolarHBondContact O-N 3.47Å; K180-A182 VanDerWaalsContact C-N 3.3Å; K180-A182 PolarHBondContact O-N 2.95Å; A182-S184 PolarHBondContact O-N 2.81Å; A182-A185 WeakPolarHBondContact O-CB 3.37Å; A182-A185 PolarHBondContact O-N 2.89Å; A182-W186 PolarHBondContact O-NE1 2.81Å |
| 183 | R | 73.6 | Confident | 75.1 | Confident | 57 Ų | 57 | 64 Ų | 64 | 22% | 0.215 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -60.6 | -29.6 | -179 | -173.2 | 169.8 | -171.9 | -167 | 1.6 | 113 | N172 A185 W186 R191 | N172-R183 VanDerWaalsContact OD1-CD 3.28Å; N172-R183 WeakPolarHBondContact OD1-CD 3.48Å; R183-A185 PolarHBondContact O-N 2.89Å; R183-W186 VanDerWaalsContact CA-CE2 3.49Å; R183-W186 HydrophobicContact CB-CD2 4.4Å; R183-W186 HydrophobicContact CB-CE3 4.38Å; R183-W186 HydrophobicContact CB-CH2 4.12Å; R183-W186 HydrophobicContact CB-CZ2 4.09Å; R183-W186 HydrophobicContact CB-CZ3 4.27Å; R183-W186 HydrophobicContact CG-CD2 4.12Å; R183-W186 HydrophobicContact CG-CE3 3.7Å; R183-W186 HydrophobicContact CG-CH2 4.02Å; R183-W186 HydrophobicContact CG-CZ2 4.38Å; R183-W186 HydrophobicContact CG-CZ3 3.67Å; R183-W186 PolarHBondContact O-N 2.8Å; R183-R191 HydrophobicContact CG-CG 4.41Å |
| 184 | S | 71.2 | Confident | 75.5 | Confident | 5 Ų | 5 | 55.9 Ų | 55.9 | 4% | 0.035 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -63.5 | -26.3 | 175.6 | 62.2 | 0 | 0 | 0 | 0 | 113.6 | E171 R174 L175 A182 W186 | E171-S184 VanDerWaalsContact O-CB 3.27Å; E171-S184 WeakPolarHBondContact O-CB 3.14Å; E171-S184 PolarHBondContact O-N 2.83Å; E171-S184 PolarHBondContact O-OG 3.43Å; R174-S184 WeakPolarHBondContact O-CB 3.46Å; R174-S184 PolarHBondContact O-OG 2.84Å; L175-S184 WeakPolarHBondContact CD1-O 3.38Å; A182-S184 PolarHBondContact O-N 2.81Å; S184-W186 VanDerWaalsContact C-N 3.25Å; S184-W186 PolarHBondContact O-N 2.89Å |
| 185 | A | 72.7 | Confident | 76.3 | Confident | 15 Ų | 15 | 57.2 Ų | 57.2 | 12% | 0.124 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -76 | -13.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | D176 L179 A182 R183 | D176-A185 WeakPolarHBondContact O-CB 3.4Å; L179-A185 WeakPolarHBondContact O-CB 3.28Å; A182-A185 WeakPolarHBondContact O-CB 3.37Å; A182-A185 PolarHBondContact O-N 2.89Å; R183-A185 PolarHBondContact O-N 2.89Å |
| 186 | W | 80.1 | Confident | 77.5 | Confident | 13 Ų | 13 | 55.6 Ų | 55.6 | 5% | 0.049 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -78.7 | 145 | -172.6 | -54.1 | -9.4 | 0 | 0 | 0 | 111.2 | Y38 K180 A182 R183 S184 V190 T194 | Y38-W186 AromaticContact CD1-CH2 3.49Å; Y38-W186 HydrophobicContact CD1-CH2 3.49Å; Y38-W186 VanDerWaalsContact CD1-CH2 3.49Å; Y38-W186 HydrophobicContact CD1-CZ3 4.16Å; Y38-W186 HydrophobicContact CD2-CH2 4.37Å; Y38-W186 AromaticContact CE1-CH2 3.72Å; Y38-W186 HydrophobicContact CE1-CH2 3.72Å; Y38-W186 AromaticContact CG-CH2 3.8Å; Y38-W186 HydrophobicContact CG-CH2 3.8Å; K180-W186 PolarHBondContact O-NE1 2.73Å; A182-W186 PolarHBondContact O-NE1 2.81Å; R183-W186 VanDerWaalsContact CA-CE2 3.49Å; R183-W186 HydrophobicContact CB-CD2 4.4Å; R183-W186 HydrophobicContact CB-CE3 4.38Å; R183-W186 HydrophobicContact CB-CH2 4.12Å; R183-W186 HydrophobicContact CB-CZ2 4.09Å; R183-W186 HydrophobicContact CB-CZ3 4.27Å; R183-W186 HydrophobicContact CG-CD2 4.12Å; R183-W186 HydrophobicContact CG-CE3 3.7Å; R183-W186 HydrophobicContact CG-CH2 4.02Å; R183-W186 HydrophobicContact CG-CZ2 4.38Å; R183-W186 HydrophobicContact CG-CZ3 3.67Å; R183-W186 PolarHBondContact O-N 2.8Å; S184-W186 VanDerWaalsContact C-N 3.25Å; S184-W186 PolarHBondContact O-N 2.89Å; W186-V190 HydrophobicContact CB-CB 4.18Å; W186-V190 HydrophobicContact CB-CG1 3.94Å; W186-V190 HydrophobicContact CD2-CG1 4.17Å; W186-V190 HydrophobicContact CE3-CG1 3.99Å; W186-V190 HydrophobicContact CG-CG1 4.13Å; W186-T194 HydrophobicContact CH2-CG2 4.48Å; W186-T194 HydrophobicContact CZ3-CG2 3.79Å |
| 187 | T | 80.8 | Confident | 78.8 | Confident | 85 Ų | 85 | 56.7 Ų | 56.7 | 52% | 0.521 | 29% | 0.285 | S | S | . | . | trans | -61.1 | 153.4 | 171.5 | 65.8 | 0 | 0 | 0 | 0 | 110.3 | I189 V190 R191 | T187-I189 PolarHBondContact O-N 3.07Å; T187-V190 PolarHBondContact O-N 3.28Å; T187-V190 VanDerWaalsContact O-N 3.07Å; T187-V190 WeakPolarHBondContact OG1-CG2 3.38Å; T187-V190 PolarHBondContact OG1-N 3.1Å; T187-R191 PolarHBondContact O-N 2.94Å | ||
| 188 | T | 81.4 | Confident | 79.9 | Confident | 78 Ų | 78 | 56 Ų | 56 | 48% | 0.479 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -53.1 | -42.5 | 179.5 | -48.8 | 0 | 0 | 0 | 0 | 111.8 | V190 R191 E192 | T188-V190 PolarHBondContact O-N 3.25Å; T188-R191 PolarHBondContact O-N 2.77Å; T188-E192 HydrophobicContact CG2-CG 4.36Å; T188-E192 WeakPolarHBondContact CG2-OE1 3.5Å; T188-E192 WeakPolarHBondContact O-CB 3.1Å; T188-E192 WeakPolarHBondContact O-CG 3.32Å; T188-E192 PolarHBondContact O-N 2.84Å |
| 189 | I | 81.8 | Confident | 80.9 | Confident | 100 Ų | 100 | 50.6 Ų | 50.6 | 51% | 0.513 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.2 | -47.7 | 178.3 | -61.3 | 173.6 | 0 | 0 | 0 | 111.1 | I43 T187 R191 N193 | I43-I189 HydrophobicContact CG2-CG2 3.35Å; T187-I189 PolarHBondContact O-N 3.07Å; I189-R191 VanDerWaalsContact C-N 3.35Å; I189-N193 WeakPolarHBondContact O-CB 3.35Å; I189-N193 PolarHBondContact O-N 2.77Å; I189-N193 VanDerWaalsContact O-N 3.1Å; I189-N193 PolarHBondContact O-ND2 3.4Å |
| 190 | V | 80.8 | Confident | 81.7 | Confident | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62 | -46.8 | 177.4 | 170.3 | 0 | 0 | 0 | 0 | 109.9 | I43 N50 Q51 W186 T187 T188 E192 N193 T194 | I43-V190 HydrophobicContact CD1-CB 4.39Å; I43-V190 HydrophobicContact CD1-CG2 3.89Å; N50-V190 WeakPolarHBondContact O-CG1 3.18Å; Q51-V190 HydrophobicContact CG-CG2 3.59Å; W186-V190 HydrophobicContact CB-CB 4.18Å; W186-V190 HydrophobicContact CB-CG1 3.94Å; W186-V190 HydrophobicContact CD2-CG1 4.17Å; W186-V190 HydrophobicContact CE3-CG1 3.99Å; W186-V190 HydrophobicContact CG-CG1 4.13Å; T187-V190 PolarHBondContact O-N 3.28Å; T187-V190 VanDerWaalsContact O-N 3.07Å; T187-V190 WeakPolarHBondContact OG1-CG2 3.38Å; T187-V190 PolarHBondContact OG1-N 3.1Å; T188-V190 PolarHBondContact O-N 3.25Å; V190-E192 VanDerWaalsContact C-N 3.34Å; V190-E192 PolarHBondContact O-N 2.6Å; V190-N193 CarbonylContact O-C 3.57Å; V190-N193 PolarHBondContact O-N 2.92Å; V190-T194 VanDerWaalsContact O-CB 3.3Å; V190-T194 WeakPolarHBondContact O-CB 3.32Å; V190-T194 PolarHBondContact O-N 3.4Å; V190-T194 PolarHBondContact O-OG1 2.71Å |
| 191 | R | 80.8 | Confident | 82.7 | Confident | 107 Ų | 107 | 49.2 Ų | 49.2 | 40% | 0.404 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.5 | -38.1 | -176.2 | -170.7 | 178.4 | 65.2 | -170.6 | -2.3 | 113.2 | R183 T187 T188 I189 | R183-R191 HydrophobicContact CG-CG 4.41Å; T187-R191 PolarHBondContact O-N 2.94Å; T188-R191 PolarHBondContact O-N 2.77Å; I189-R191 VanDerWaalsContact C-N 3.35Å |
| 192 | E | 83.8 | Confident | 83.6 | Confident | 144 Ų | 144 | 49.9 Ų | 49.9 | 67% | 0.673 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -73.1 | -33 | 177.9 | -73.9 | 175.5 | 179.6 | 0 | 0 | 112.4 | T188 V190 | T188-E192 HydrophobicContact CG2-CG 4.36Å; T188-E192 WeakPolarHBondContact CG2-OE1 3.5Å; T188-E192 WeakPolarHBondContact O-CB 3.1Å; T188-E192 WeakPolarHBondContact O-CG 3.32Å; T188-E192 PolarHBondContact O-N 2.84Å; V190-E192 VanDerWaalsContact C-N 3.34Å; V190-E192 PolarHBondContact O-N 2.6Å |
| 193 | N | 84.4 | Confident | 84.8 | Confident | 52 Ų | 52 | 53.4 Ų | 53.4 | 28% | 0.278 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -90.6 | -0.9 | 177.8 | -68.1 | -60.6 | 0 | 0 | 0 | 113.8 | T41 I43 I189 V190 | T41-N193 WeakPolarHBondContact CB-O 3.25Å; T41-N193 PolarHBondContact N-O 2.66Å; T41-N193 PolarHBondContact OG1-O 3.3Å; I43-N193 HydrophobicContact CD1-CB 4.3Å; I43-N193 HydrophobicContact CG1-CB 4.04Å; I189-N193 WeakPolarHBondContact O-CB 3.35Å; I189-N193 PolarHBondContact O-N 2.77Å; I189-N193 VanDerWaalsContact O-N 3.1Å; I189-N193 PolarHBondContact O-ND2 3.4Å; V190-N193 CarbonylContact O-C 3.57Å; V190-N193 PolarHBondContact O-N 2.92Å |
| 194 | T | 84.5 | Confident | 85.8 | Confident | 7 Ų | 7 | 53.3 Ų | 53.3 | 4% | 0.043 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 120.2 | 178.5 | -54.3 | 0 | 0 | 0 | 0 | 111 | D39 V40 W186 V190 | D39-T194 CarbonylContact O-C 3.59Å; D39-T194 WeakPolarHBondContact O-CA 3.49Å; V40-T194 HydrophobicContact CG2-CG2 4.08Å; W186-T194 HydrophobicContact CH2-CG2 4.48Å; W186-T194 HydrophobicContact CZ3-CG2 3.79Å; V190-T194 VanDerWaalsContact O-CB 3.3Å; V190-T194 WeakPolarHBondContact O-CB 3.32Å; V190-T194 PolarHBondContact O-N 3.4Å; V190-T194 PolarHBondContact O-OG1 2.71Å |
| 195 | I | 86.4 | Confident | 87 | Confident | 101 Ų | 101 | 53 Ų | 53 | 52% | 0.518 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 126.6 | 170.8 | -58.6 | 175 | 0 | 0 | 0 | 108 | Y38 D39 T41 | Y38-I195 WeakPolarHBondContact CA-O 3.31Å; D39-I195 PolarHBondContact N-O 2.95Å; D39-I195 PolarHBondContact O-N 3.05Å; T41-I195 HydrophobicContact CG2-CD1 4.01Å; T41-I195 HydrophobicContact CG2-CG1 4.42Å |
| 196 | Y | 87.9 | Confident | 88.1 | Confident | 82 Ų | 82 | 56.1 Ų | 56.1 | 32% | 0.322 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 129.1 | 170.7 | 167.8 | -102.4 | 0 | 0 | 0 | 109.5 | A36 Y38 M168 | A36-Y196 HydrophobicContact CB-CE2 3.77Å; Y38-Y196 AromaticContact CD1-CD2 3.85Å; Y38-Y196 HydrophobicContact CD1-CD2 3.85Å; Y38-Y196 AromaticContact CE1-CD2 3.51Å; Y38-Y196 HydrophobicContact CE1-CD2 3.51Å; Y38-Y196 HydrophobicContact CE1-CE2 4.15Å; Y38-Y196 HydrophobicContact CE1-CG 4.48Å; M168-Y196 HydrophobicContact CE-CD2 4.25Å; M168-Y196 HydrophobicContact CE-CE2 3.43Å; M168-Y196 VanDerWaalsContact CE-CE2 3.43Å |
| 197 | S | 90.4 | Very high | 89 | Confident | 38 Ų | 38 | 58.2 Ų | 58.2 | 27% | 0.266 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 141 | 170.9 | 52.7 | 0 | 0 | 0 | 0 | 110.6 | V37 G199 | V37-S197 WeakPolarHBondContact CB-OG 3.18Å; V37-S197 PolarHBondContact N-O 3Å; V37-S197 PolarHBondContact O-N 3Å; S197-G199 PolarHBondContact O-N 2.86Å |
| 198 | P | 90.6 | Very high | 89.7 | Confident | 86 Ų | 86 | 54.1 Ų | 54.1 | 56% | 0.558 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 130.4 | 171.8 | 27.8 | -32.1 | 0 | 0 | 0 | 109.2 | I202 | P198-I202 HydrophobicContact CB-CB 4.49Å; P198-I202 HydrophobicContact CB-CG1 4.12Å |
| 199 | G | 92 | Very high | 90.5 | Very high | 3 Ų | 3 | 50.6 Ų | 50.6 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | trans | -74.7 | 166.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D34 W35 S197 M201 I202 P203 | D34-G199 CarbonylContact O-C 2.76Å; D34-G199 VanDerWaalsContact O-CA 3.22Å; D34-G199 WeakPolarHBondContact O-CA 3.23Å; D34-G199 WeakPolarHBondContact OD1-CA 3.42Å; W35-G199 PolarHBondContact O-N 3.31Å; S197-G199 PolarHBondContact O-N 2.86Å; G199-M201 PolarHBondContact O-N 3.35Å; G199-M201 VanDerWaalsContact O-N 3.11Å; G199-I202 WeakPolarHBondContact O-CB 3.49Å; G199-I202 PolarHBondContact O-N 3.37Å; G199-I202 VanDerWaalsContact O-N 3.14Å; G199-P203 WeakPolarHBondContact O-CD 3.43Å | ||
| 200 | G | 92.9 | Very high | 91.2 | Very high | 35 Ų | 35 | 51.4 Ų | 51.4 | 36% | 0.361 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -17.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | D34 I202 P203 | D34-G200 PolarHBondContact O-N 3.28Å; D34-G200 WeakPolarHBondContact OD2-CA 3.38Å; D34-G200 PolarHBondContact OD2-N 3.48Å; G200-I202 VanDerWaalsContact C-N 3.34Å; G200-P203 WeakPolarHBondContact O-CD 3.3Å; G200-P203 WeakPolarHBondContact O-CG 3.25Å |
| 201 | M | 94.7 | Very high | 92 | Very high | 22 Ų | 22 | 53.3 Ų | 53.3 | 11% | 0.108 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -75.7 | -22 | 177.5 | -59 | -59.2 | 101.8 | 0 | 0 | 113.1 | A29 S32 D34 W35 G199 M204 A205 | A29-M201 HydrophobicContact CB-CB 4.47Å; S32-M201 VanDerWaalsContact CB-CG 3.49Å; S32-M201 WeakPolarHBondContact CB-SD 3.48Å; S32-M201 WeakPolarHBondContact OG-CG 3.17Å; S32-M201 PolarHBondContact OG-SD 2.99Å; S32-M201 VanDerWaalsContact OG-SD 3.41Å; D34-M201 HydrophobicContact CB-CG 4.09Å; D34-M201 VanDerWaalsContact O-CB 3.22Å; D34-M201 WeakPolarHBondContact O-CB 3.42Å; D34-M201 VanDerWaalsContact O-CG 3.22Å; D34-M201 WeakPolarHBondContact O-CG 3.2Å; D34-M201 PolarHBondContact O-N 3.23Å; W35-M201 HydrophobicContact CD2-CB 4.23Å; W35-M201 HydrophobicContact CG-CB 3.98Å; G199-M201 PolarHBondContact O-N 3.35Å; G199-M201 VanDerWaalsContact O-N 3.11Å; M201-M204 HydrophobicContact CE-CE 4Å; M201-M204 HydrophobicContact CE-SD 4.06Å; M201-M204 PolarHBondContact O-N 3.24Å; M201-M204 HydrophobicContact SD-SD 3.95Å; M201-A205 VanDerWaalsContact O-CB 3.3Å; M201-A205 WeakPolarHBondContact O-CB 3.44Å; M201-A205 PolarHBondContact O-N 2.94Å |
| 202 | I | 93.9 | Very high | 92.8 | Very high | 15 Ų | 15 | 48.2 Ų | 48.2 | 8% | 0.077 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.7 | -59.2 | 175.9 | -62.1 | -89.5 | 0 | 0 | 0 | 111 | W35 Y164 Y165 P198 G199 G200 M204 A205 W206 | W35-I202 HydrophobicContact CE3-CD1 4.06Å; W35-I202 WeakPolarHBondContact O-CG1 3.43Å; Y164-I202 HydrophobicContact CD1-CD1 4.12Å; Y164-I202 HydrophobicContact CE1-CD1 3.31Å; Y165-I202 WeakPolarHBondContact OH-CG2 3.23Å; P198-I202 HydrophobicContact CB-CB 4.49Å; P198-I202 HydrophobicContact CB-CG1 4.12Å; G199-I202 WeakPolarHBondContact O-CB 3.49Å; G199-I202 PolarHBondContact O-N 3.37Å; G199-I202 VanDerWaalsContact O-N 3.14Å; G200-I202 VanDerWaalsContact C-N 3.34Å; I202-M204 PolarHBondContact O-N 2.94Å; I202-A205 PolarHBondContact O-N 3.42Å; I202-W206 PolarHBondContact O-N 3.15Å; I202-W206 VanDerWaalsContact O-N 3.09Å |
| 203 | P | 95.3 | Very high | 93.5 | Very high | 74 Ų | 74 | 43.6 Ų | 43.6 | 48% | 0.481 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.8 | -29.7 | 178.3 | 26 | -34.9 | 0 | 0 | 0 | 112 | G199 G200 S207 | G199-P203 WeakPolarHBondContact O-CD 3.43Å; G200-P203 WeakPolarHBondContact O-CD 3.3Å; G200-P203 WeakPolarHBondContact O-CG 3.25Å; P203-S207 VanDerWaalsContact O-CB 3.31Å; P203-S207 WeakPolarHBondContact O-CB 3.35Å; P203-S207 PolarHBondContact O-N 2.96Å; P203-S207 PolarHBondContact O-OG 2.98Å |
| 204 | M | 95 | Very high | 94.1 | Very high | 54 Ų | 54 | 42.6 Ų | 42.6 | 27% | 0.266 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.1 | -46.3 | 176 | -169.7 | 173.3 | -74.1 | 0 | 0 | 112 | L25 A28 M201 I202 S207 A208 | L25-M204 HydrophobicContact CB-CG 3.98Å; L25-M204 HydrophobicContact CD2-CE 4.33Å; L25-M204 HydrophobicContact CD2-CG 3.83Å; L25-M204 HydrophobicContact CD2-SD 4.03Å; L25-M204 HydrophobicContact CG-CG 4.32Å; A28-M204 HydrophobicContact CB-SD 3.82Å; M201-M204 HydrophobicContact CE-CE 4Å; M201-M204 HydrophobicContact CE-SD 4.06Å; M201-M204 PolarHBondContact O-N 3.24Å; M201-M204 HydrophobicContact SD-SD 3.95Å; I202-M204 PolarHBondContact O-N 2.94Å; M204-S207 WeakPolarHBondContact O-CB 3.43Å; M204-S207 PolarHBondContact O-N 3.29Å; M204-A208 PolarHBondContact O-N 3.33Å |
| 205 | A | 96.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.4 | -40.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A29 W35 Y157 L161 M201 I202 S207 A208 C209 | A29-A205 HydrophobicContact CB-CB 4.2Å; W35-A205 HydrophobicContact CH2-CB 3.66Å; W35-A205 HydrophobicContact CZ2-CB 4.11Å; W35-A205 HydrophobicContact CZ3-CB 4.34Å; Y157-A205 WeakPolarHBondContact CE1-O 3.15Å; L161-A205 HydrophobicContact CD2-CB 3.82Å; M201-A205 VanDerWaalsContact O-CB 3.3Å; M201-A205 WeakPolarHBondContact O-CB 3.44Å; M201-A205 PolarHBondContact O-N 2.94Å; I202-A205 PolarHBondContact O-N 3.42Å; A205-S207 VanDerWaalsContact C-N 3.35Å; A205-S207 PolarHBondContact O-N 2.85Å; A205-A208 WeakPolarHBondContact O-CB 3.07Å; A205-A208 PolarHBondContact O-N 2.91Å; A205-C209 PolarHBondContact O-N 3.39Å |
| 206 | W | 97.2 | Very high | 95.1 | Very high | 80 Ų | 80 | 37.4 Ų | 37.4 | 30% | 0.303 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.7 | -40.4 | 171.2 | -84.1 | 107.1 | 0 | 0 | 0 | 112.7 | F158 L161 Y165 I202 A208 C209 L210 | F158-W206 HydrophobicContact CD2-CH2 4.09Å; F158-W206 AromaticContact CD2-CZ3 3.89Å; F158-W206 HydrophobicContact CD2-CZ3 3.89Å; F158-W206 AromaticContact CE2-CH2 3.58Å; F158-W206 HydrophobicContact CE2-CH2 3.58Å; F158-W206 AromaticContact CE2-CZ3 3.63Å; F158-W206 HydrophobicContact CE2-CZ3 3.63Å; L161-W206 HydrophobicContact CB-CZ2 4.47Å; L161-W206 HydrophobicContact CD1-CD2 3.93Å; L161-W206 HydrophobicContact CD1-CE3 4.11Å; L161-W206 HydrophobicContact CD1-CG 4.32Å; L161-W206 HydrophobicContact CD1-CZ3 4.48Å; Y165-W206 AromaticContact CE2-CZ2 3.84Å; Y165-W206 HydrophobicContact CE2-CZ2 3.84Å; Y165-W206 AromaticContact CE2-NE1 3.57Å; Y165-W206 AromaticContact CZ-NE1 3.74Å; Y165-W206 PolarHBondContact OH-NE1 3.26Å; I202-W206 PolarHBondContact O-N 3.15Å; I202-W206 VanDerWaalsContact O-N 3.09Å; W206-A208 VanDerWaalsContact C-N 3.34Å; W206-C209 WeakPolarHBondContact O-CB 3.34Å; W206-C209 PolarHBondContact O-N 3.44Å; W206-L210 WeakPolarHBondContact O-CG 3.08Å; W206-L210 PolarHBondContact O-N 3.11Å |
| 207 | S | 97.1 | Very high | 95.5 | Very high | 56 Ų | 56 | 37.6 Ų | 37.6 | 39% | 0.392 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.8 | -41.1 | 175.8 | -59.4 | 0 | 0 | 0 | 0 | 111.5 | P203 M204 A205 C209 L210 L211 | P203-S207 VanDerWaalsContact O-CB 3.31Å; P203-S207 WeakPolarHBondContact O-CB 3.35Å; P203-S207 PolarHBondContact O-N 2.96Å; P203-S207 PolarHBondContact O-OG 2.98Å; M204-S207 WeakPolarHBondContact O-CB 3.43Å; M204-S207 PolarHBondContact O-N 3.29Å; A205-S207 VanDerWaalsContact C-N 3.35Å; A205-S207 PolarHBondContact O-N 2.85Å; S207-C209 VanDerWaalsContact C-N 3.35Å; S207-L210 PolarHBondContact O-N 2.93Å; S207-L211 WeakPolarHBondContact O-CG 3.41Å; S207-L211 PolarHBondContact O-N 3.21Å |
| 208 | A | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.1 | -48.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | F22 L25 A26 Y157 M204 A205 W206 L210 L211 I212 | F22-A208 HydrophobicContact CD2-CB 3.74Å; F22-A208 VanDerWaalsContact CD2-O 3.25Å; F22-A208 WeakPolarHBondContact CD2-O 3.28Å; F22-A208 HydrophobicContact CE2-CB 4.12Å; L25-A208 HydrophobicContact CB-CB 3.9Å; A26-A208 HydrophobicContact CB-CB 4.46Å; Y157-A208 HydrophobicContact CE1-CB 4.35Å; M204-A208 PolarHBondContact O-N 3.33Å; A205-A208 WeakPolarHBondContact O-CB 3.07Å; A205-A208 PolarHBondContact O-N 2.91Å; W206-A208 VanDerWaalsContact C-N 3.34Å; A208-L210 VanDerWaalsContact C-N 3.28Å; A208-L210 PolarHBondContact O-N 2.68Å; A208-L211 WeakPolarHBondContact O-CB 3.47Å; A208-L211 PolarHBondContact O-N 3.1Å; A208-I212 PolarHBondContact O-N 3.4Å |
| 209 | C | 97.2 | Very high | 95.9 | Very high | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.02 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.3 | -38.4 | 177.5 | -166.3 | 0 | 0 | 0 | 0 | 113 | Y157 L161 A205 W206 S207 I212 Y213 | Y157-C209 HydrophobicContact CD1-CB 3.94Å; Y157-C209 HydrophobicContact CE1-CB 4.27Å; L161-C209 HydrophobicContact CD1-CB 3.96Å; A205-C209 PolarHBondContact O-N 3.39Å; W206-C209 WeakPolarHBondContact O-CB 3.34Å; W206-C209 PolarHBondContact O-N 3.44Å; S207-C209 VanDerWaalsContact C-N 3.35Å; C209-I212 WeakPolarHBondContact O-CG2 3.2Å; C209-Y213 WeakPolarHBondContact O-CD2 3.27Å; C209-Y213 PolarHBondContact O-N 3.31Å |
| 210 | L | 97.4 | Very high | 96 | Very high | 118 Ų | 118 | 37.4 Ų | 37.4 | 62% | 0.618 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -69.5 | -38.5 | 175.5 | -69.3 | 174.1 | 0 | 0 | 0 | 112.3 | W206 S207 A208 Y213 A214 | W206-L210 WeakPolarHBondContact O-CG 3.08Å; W206-L210 PolarHBondContact O-N 3.11Å; S207-L210 PolarHBondContact O-N 2.93Å; A208-L210 VanDerWaalsContact C-N 3.28Å; A208-L210 PolarHBondContact O-N 2.68Å; L210-Y213 PolarHBondContact O-N 3.19Å; L210-A214 WeakPolarHBondContact O-CB 3.34Å; L210-A214 PolarHBondContact O-N 2.9Å |
| 211 | L | 97.1 | Very high | 96 | Very high | 43 Ų | 43 | 38.8 Ų | 38.8 | 23% | 0.225 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.3 | -40.3 | 179.6 | -75.3 | 166.4 | 0 | 0 | 0 | 112.7 | C18 V21 F22 L25 S207 A208 Y213 A214 G215 | C18-L211 HydrophobicContact CB-CD2 4.33Å; C18-L211 WeakPolarHBondContact CB-O 3.39Å; V21-L211 HydrophobicContact CB-CD1 4.01Å; V21-L211 HydrophobicContact CG1-CD1 3.47Å; V21-L211 VanDerWaalsContact CG1-CD1 3.47Å; F22-L211 HydrophobicContact CB-CB 4.4Å; L25-L211 HydrophobicContact CD1-CD1 3.77Å; S207-L211 WeakPolarHBondContact O-CG 3.41Å; S207-L211 PolarHBondContact O-N 3.21Å; A208-L211 WeakPolarHBondContact O-CB 3.47Å; A208-L211 PolarHBondContact O-N 3.1Å; L211-Y213 VanDerWaalsContact C-N 3.32Å; L211-Y213 PolarHBondContact O-N 3.13Å; L211-A214 PolarHBondContact O-N 2.04Å; L211-G215 PolarHBondContact O-N 2.82Å |
| 212 | I | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65 | -37.4 | 177.1 | -169.5 | 170.6 | 0 | 0 | 0 | 111.6 | F22 V113 L150 T153 A208 C209 S216 | F22-I212 HydrophobicContact CD1-CD1 4.5Å; F22-I212 HydrophobicContact CD2-CB 3.85Å; F22-I212 HydrophobicContact CD2-CG2 4.22Å; F22-I212 HydrophobicContact CE1-CD1 4.18Å; F22-I212 HydrophobicContact CE2-CB 4.15Å; F22-I212 HydrophobicContact CE2-CD1 4.18Å; F22-I212 HydrophobicContact CE2-CG2 4.19Å; F22-I212 HydrophobicContact CG-CB 4.17Å; F22-I212 HydrophobicContact CZ-CD1 3.99Å; V113-I212 HydrophobicContact CG2-CD1 3.28Å; V113-I212 HydrophobicContact CG2-CG1 4.21Å; L150-I212 HydrophobicContact CD2-CG1 4.39Å; T153-I212 HydrophobicContact CG2-CD1 3.93Å; A208-I212 PolarHBondContact O-N 3.4Å; C209-I212 WeakPolarHBondContact O-CG2 3.2Å; I212-S216 WeakPolarHBondContact O-CB 3.4Å; I212-S216 PolarHBondContact O-N 2.91Å |
| 213 | Y | 97.8 | Very high | 95.4 | Very high | 47 Ų | 47 | 37.4 Ų | 37.4 | 18% | 0.184 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.1 | -40.1 | 172.9 | -77.3 | -58.1 | 0 | 0 | 0 | 112.5 | W151 L155 C209 L210 L211 S216 I217 | W151-Y213 AromaticContact CD1-CD1 3.92Å; W151-Y213 AromaticContact CD1-CE1 3.94Å; W151-Y213 HydrophobicContact CG-CE1 4.36Å; W151-Y213 AromaticContact NE1-CE1 3.86Å; L155-Y213 VanDerWaalsContact CA-OH 3.28Å; L155-Y213 WeakPolarHBondContact CA-OH 3.34Å; L155-Y213 PolarHBondContact N-OH 3.24Å; C209-Y213 WeakPolarHBondContact O-CD2 3.27Å; C209-Y213 PolarHBondContact O-N 3.31Å; L210-Y213 PolarHBondContact O-N 3.19Å; L211-Y213 VanDerWaalsContact C-N 3.32Å; L211-Y213 PolarHBondContact O-N 3.13Å; Y213-S216 WeakPolarHBondContact O-CB 3.45Å; Y213-S216 PolarHBondContact O-N 3.13Å; Y213-I217 VanDerWaalsContact O-CG1 3.27Å; Y213-I217 WeakPolarHBondContact O-CG1 3.27Å; Y213-I217 PolarHBondContact O-N 3.38Å |
| 214 | A | 97.4 | Very high | 95 | Very high | 30 Ų | 30 | 40.1 Ų | 40.1 | 25% | 0.248 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.5 | -47.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | L210 L211 I217 F218 | L210-A214 WeakPolarHBondContact O-CB 3.34Å; L210-A214 PolarHBondContact O-N 2.9Å; L211-A214 PolarHBondContact O-N 2.04Å; A214-I217 PolarHBondContact O-N 3.2Å; A214-F218 HydrophobicContact CB-CE2 4.22Å; A214-F218 WeakPolarHBondContact O-CD2 3.17Å; A214-F218 VanDerWaalsContact O-CG 3.24Å; A214-F218 WeakPolarHBondContact O-CG 3.37Å; A214-F218 PolarHBondContact O-N 3.27Å |
| 215 | G | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.3 | -49.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S15 L211 I217 F218 Q219 | S15-G215 VanDerWaalsContact OG-C 3.26Å; S15-G215 WeakPolarHBondContact OG-CA 3.25Å; S15-G215 PolarHBondContact OG-O 2.82Å; L211-G215 PolarHBondContact O-N 2.82Å; G215-I217 VanDerWaalsContact C-N 3.32Å; G215-I217 PolarHBondContact O-N 3.49Å; G215-F218 PolarHBondContact O-N 2.8Å; G215-F218 VanDerWaalsContact O-N 3.09Å; G215-Q219 PolarHBondContact O-N 3.21Å |
| 216 | S | 96.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -51 | -50.2 | 174 | 171.2 | 0 | 0 | 0 | 0 | 112.4 | G147 W151 I212 Y213 F218 Q219 L220 | G147-S216 WeakPolarHBondContact O-CB 3.17Å; G147-S216 PolarHBondContact O-OG 3.43Å; W151-S216 WeakPolarHBondContact CB-OG 3.17Å; W151-S216 PolarHBondContact N-OG 3.07Å; I212-S216 WeakPolarHBondContact O-CB 3.4Å; I212-S216 PolarHBondContact O-N 2.91Å; Y213-S216 WeakPolarHBondContact O-CB 3.45Å; Y213-S216 PolarHBondContact O-N 3.13Å; S216-F218 PolarHBondContact O-N 3.21Å; S216-Q219 PolarHBondContact O-N 3.24Å; S216-L220 VanDerWaalsContact O-CG 3.27Å; S216-L220 WeakPolarHBondContact O-CG 3.28Å; S216-L220 PolarHBondContact O-N 3.06Å |
| 217 | I | 96.5 | Very high | 90.8 | Very high | 85 Ų | 85 | 45.3 Ų | 45.3 | 44% | 0.436 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.6 | -41.4 | 179.9 | -69 | 165.6 | 0 | 0 | 0 | 110.9 | Y213 A214 G215 Q219 L220 I221 | Y213-I217 VanDerWaalsContact O-CG1 3.27Å; Y213-I217 WeakPolarHBondContact O-CG1 3.27Å; Y213-I217 PolarHBondContact O-N 3.38Å; A214-I217 PolarHBondContact O-N 3.2Å; G215-I217 VanDerWaalsContact C-N 3.32Å; G215-I217 PolarHBondContact O-N 3.49Å; I217-Q219 PolarHBondContact O-N 2.95Å; I217-L220 PolarHBondContact O-N 3.45Å; I217-I221 HydrophobicContact CG2-CD1 3.57Å; I217-I221 HydrophobicContact CG2-CG1 4.17Å; I217-I221 WeakPolarHBondContact O-CB 3.43Å; I217-I221 VanDerWaalsContact O-CG1 3.25Å; I217-I221 WeakPolarHBondContact O-CG1 3.42Å; I217-I221 PolarHBondContact O-N 3.03Å |
| 218 | F | 95.7 | Very high | 88.3 | Confident | 68 Ų | 68 | 46.4 Ų | 46.4 | 30% | 0.298 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.7 | -43.3 | 177.4 | -64.5 | -34.9 | 0 | 0 | 0 | 112.3 | L11 A14 A214 G215 S216 I221 A222 | L11-F218 HydrophobicContact CD2-CB 4.35Å; L11-F218 HydrophobicContact CD2-CD1 3.96Å; L11-F218 HydrophobicContact CD2-CG 4.45Å; A14-F218 HydrophobicContact CB-CD2 3.91Å; A14-F218 HydrophobicContact CB-CE2 4.19Å; A14-F218 HydrophobicContact CB-CG 4.42Å; A214-F218 HydrophobicContact CB-CE2 4.22Å; A214-F218 WeakPolarHBondContact O-CD2 3.17Å; A214-F218 VanDerWaalsContact O-CG 3.24Å; A214-F218 WeakPolarHBondContact O-CG 3.37Å; A214-F218 PolarHBondContact O-N 3.27Å; G215-F218 PolarHBondContact O-N 2.8Å; G215-F218 VanDerWaalsContact O-N 3.09Å; S216-F218 PolarHBondContact O-N 3.21Å; F218-I221 PolarHBondContact O-N 2.82Å; F218-A222 VanDerWaalsContact O-CB 3.31Å; F218-A222 WeakPolarHBondContact O-CB 3.08Å; F218-A222 PolarHBondContact O-N 2.82Å |
| 219 | Q | 93.1 | Very high | 85.8 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.6 | -42.1 | 174.5 | -90.9 | 177 | 19.6 | 0 | 0 | 112.6 | S15 E19 G215 S216 I217 I221 A222 S223 | S15-Q219 WeakPolarHBondContact OG-CG 3.38Å; S15-Q219 PolarHBondContact OG-NE2 3.45Å; E19-Q219 PolarHBondContact OE1-NE2 3.37Å; G215-Q219 PolarHBondContact O-N 3.21Å; S216-Q219 PolarHBondContact O-N 3.24Å; I217-Q219 PolarHBondContact O-N 2.95Å; Q219-I221 PolarHBondContact O-N 3.27Å; Q219-A222 WeakPolarHBondContact O-CB 3.08Å; Q219-A222 PolarHBondContact O-N 3.41Å; Q219-S223 PolarHBondContact O-N 3.38Å |
| 220 | L | 93.9 | Very high | 83.2 | Confident | 54 Ų | 54 | 56.8 Ų | 56.8 | 28% | 0.283 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 176.6 | -70.2 | 173.3 | 0 | 0 | 0 | 111.4 | L144 S216 I217 S223 | L144-L220 HydrophobicContact CD1-CD2 3.86Å; S216-L220 VanDerWaalsContact O-CG 3.27Å; S216-L220 WeakPolarHBondContact O-CG 3.28Å; S216-L220 PolarHBondContact O-N 3.06Å; I217-L220 PolarHBondContact O-N 3.45Å; L220-S223 WeakPolarHBondContact O-CB 3.29Å; L220-S223 PolarHBondContact O-N 3.01Å; L220-S223 PolarHBondContact O-OG 2.91Å |
| 221 | I | 92.4 | Very high | 80.6 | Confident | 65 Ų | 65 | 57.5 Ų | 57.5 | 33% | 0.333 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.1 | -39.8 | 175.9 | -66.2 | 172.4 | 0 | 0 | 0 | 110.5 | L11 I217 F218 Q219 S223 L224 F225 | L11-I221 HydrophobicContact CD1-CB 4.32Å; L11-I221 HydrophobicContact CD1-CG2 3.68Å; L11-I221 HydrophobicContact CD2-CG2 4.5Å; I217-I221 HydrophobicContact CG2-CD1 3.57Å; I217-I221 HydrophobicContact CG2-CG1 4.17Å; I217-I221 WeakPolarHBondContact O-CB 3.43Å; I217-I221 VanDerWaalsContact O-CG1 3.25Å; I217-I221 WeakPolarHBondContact O-CG1 3.42Å; I217-I221 PolarHBondContact O-N 3.03Å; F218-I221 PolarHBondContact O-N 2.82Å; Q219-I221 PolarHBondContact O-N 3.27Å; I221-S223 PolarHBondContact O-N 3.18Å; I221-L224 WeakPolarHBondContact O-CB 3.34Å; I221-L224 PolarHBondContact O-N 2.96Å; I221-F225 HydrophobicContact CG2-CD2 4.14Å; I221-F225 HydrophobicContact CG2-CE2 3.55Å; I221-F225 WeakPolarHBondContact O-CD2 3.15Å |
| 222 | A | 88.2 | Confident | 78 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.1 | -39.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L11 N12 F218 Q219 L224 F225 | L11-A222 HydrophobicContact CB-CB 3.75Å; L11-A222 HydrophobicContact CD1-CB 4.31Å; N12-A222 WeakPolarHBondContact ND2-CB 3.21Å; F218-A222 VanDerWaalsContact O-CB 3.31Å; F218-A222 WeakPolarHBondContact O-CB 3.08Å; F218-A222 PolarHBondContact O-N 2.82Å; Q219-A222 WeakPolarHBondContact O-CB 3.08Å; Q219-A222 PolarHBondContact O-N 3.41Å; A222-L224 PolarHBondContact O-N 3.13Å; A222-F225 PolarHBondContact O-N 2.5Å |
| 223 | S | 88.2 | Confident | 75.3 | Confident | 7 Ų | 7 | 62.3 Ų | 62.3 | 5% | 0.049 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.7 | -16 | 176.9 | 84.2 | 0 | 0 | 0 | 0 | 114.5 | Q140 Q219 L220 I221 | Q140-S223 WeakPolarHBondContact CG-O 3.39Å; Q140-S223 PolarHBondContact NE2-O 3.44Å; Q219-S223 PolarHBondContact O-N 3.38Å; L220-S223 WeakPolarHBondContact O-CB 3.29Å; L220-S223 PolarHBondContact O-N 3.01Å; L220-S223 PolarHBondContact O-OG 2.91Å; I221-S223 PolarHBondContact O-N 3.18Å |
| 224 | L | 86.4 | Confident | 72.9 | Confident | 132 Ų | 132 | 64.7 Ų | 64.7 | 69% | 0.691 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -86.5 | -23.4 | 176.1 | -56.7 | 175.5 | 0 | 0 | 0 | 112.8 | I221 A222 | I221-L224 WeakPolarHBondContact O-CB 3.34Å; I221-L224 PolarHBondContact O-N 2.96Å; A222-L224 PolarHBondContact O-N 3.13Å |
| 225 | F | 78.8 | Confident | 70.5 | Confident | 94 Ų | 94 | 66.8 Ų | 66.8 | 41% | 0.412 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -86.9 | -18 | -174 | -74.8 | -68.6 | 0 | 0 | 0 | 114.1 | A7 W8 L11 I221 A222 K227 | A7-F225 HydrophobicContact CB-CD1 4.24Å; A7-F225 HydrophobicContact CB-CD2 4.25Å; A7-F225 HydrophobicContact CB-CE1 4.5Å; A7-F225 HydrophobicContact CB-CE2 4.47Å; A7-F225 HydrophobicContact CB-CG 4.12Å; W8-F225 HydrophobicContact CB-CB 4.41Å; L11-F225 HydrophobicContact CD1-CD2 3.57Å; L11-F225 HydrophobicContact CD1-CE2 3.63Å; I221-F225 HydrophobicContact CG2-CD2 4.14Å; I221-F225 HydrophobicContact CG2-CE2 3.55Å; I221-F225 WeakPolarHBondContact O-CD2 3.15Å; A222-F225 PolarHBondContact O-N 2.5Å; F225-K227 VanDerWaalsContact C-N 3.34Å; F225-K227 PolarHBondContact O-N 3.43Å |
| 226 | E | 65.2 | Low | 68.1 | Low | 15 Ų | 15 | 74.4 Ų | 74.4 | 7% | 0.07 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -83 | 81.5 | 174.7 | -153.2 | 124.5 | -134 | 0 | 0 | 109.5 | W8 Y136 A139 Q140 | W8-E226 VanDerWaalsContact CD1-OE2 3.3Å; W8-E226 WeakPolarHBondContact CZ2-OE2 3.17Å; W8-E226 PolarHBondContact NE1-OE2 2.8Å; Y136-E226 HydrophobicContact CD1-CG 3.85Å; Y136-E226 WeakPolarHBondContact CD1-OE1 3.37Å; A139-E226 WeakPolarHBondContact CB-OE2 3.39Å; Q140-E226 HydrophobicContact CB-CB 4.34Å |
| 227 | K | 55.9 | Low | 66.1 | Low | 134 Ų | 134 | 78.3 Ų | 78.3 | 58% | 0.583 | 39% | 0.387 | S | S | * | . | trans | -57 | 127.3 | 178.7 | -89 | -171.3 | 166.8 | -165.2 | 0 | 109.8 | F225 I229 E231 | F225-K227 VanDerWaalsContact C-N 3.34Å; F225-K227 PolarHBondContact O-N 3.43Å; K227-I229 PolarHBondContact O-N 2.89Å; K227-E231 IonicContact NZ-OE1 3.44Å; K227-E231 IonicContact NZ-OE2 2.8Å; K227-E231 PolarHBondContact NZ-OE2 2.61Å | ||
| 228 | P | 45.7 | Very low | 64.1 | Low | 78 Ų | 78 | 79.4 Ų | 79.4 | 51% | 0.506 | 39% | 0.391 | S | S | . | . | trans | -63.9 | 132.3 | 166.5 | 26.5 | -31.3 | 0 | 0 | 0 | 108.2 | K230 | P228-K230 PolarHBondContact O-N 3.44Š| ||
| 229 | I | 45.4 | Very low | 62.3 | Low | 62 Ų | 62 | 78.9 Ų | 78.9 | 32% | 0.318 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -60.3 | 85.5 | 175 | -55.1 | 163.5 | 0 | 0 | 0 | 108.4 | K133 Y136 K227 E232 | K133-I229 HydrophobicContact CG-CD1 4.42Å; Y136-I229 HydrophobicContact CD2-CD1 3.64Å; Y136-I229 HydrophobicContact CD2-CG1 4.18Å; Y136-I229 HydrophobicContact CE2-CD1 3.83Å; K227-I229 PolarHBondContact O-N 2.89Å; I229-E232 HydrophobicContact CG2-CB 4.12Å |
| 230 | K | 41.9 | Very low | 60.7 | Low | 159 Ų | 159 | 81.5 Ų | 81.5 | 69% | 0.691 | 42% | 0.415 | S | S | * | . | trans | -110.8 | -20.9 | 167.4 | -90.4 | -170.2 | 173.1 | -175.1 | 0 | 112.2 | P228 | P228-K230 PolarHBondContact O-N 3.44Š| ||
| 231 | E | 42.8 | Very low | 59.5 | Low | 133 Ų | 133 | 83.6 Ų | 83.6 | 62% | 0.621 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -82 | -22.7 | -176 | -77.9 | 169.7 | 153.3 | 0 | 0 | 114 | K227 T235 | K227-E231 IonicContact NZ-OE1 3.44Å; K227-E231 IonicContact NZ-OE2 2.8Å; K227-E231 PolarHBondContact NZ-OE2 2.61Å; E231-T235 PolarHBondContact O-OG1 3.49Å |
| 232 | E | 41.6 | Very low | 58.4 | Low | 82 Ų | 82 | 86.6 Ų | 86.6 | 38% | 0.383 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -85.7 | -38.6 | 179.6 | -74.8 | -175.7 | 163.5 | 0 | 0 | 113.5 | M1 I229 I234 T235 Y236 | M1-E232 WeakPolarHBondContact CE-OE1 3.49Å; I229-E232 HydrophobicContact CG2-CB 4.12Å; E232-I234 VanDerWaalsContact C-N 3.27Å; E232-I234 PolarHBondContact O-N 3.4Å; E232-T235 WeakPolarHBondContact CA-OG1 3.38Å; E232-T235 PolarHBondContact O-N 3.21Å; E232-T235 PolarHBondContact O-OG1 2.93Å; E232-T235 VanDerWaalsContact O-OG1 3.05Å; E232-Y236 HydrophobicContact CB-CD2 4.21Å; E232-Y236 HydrophobicContact CB-CE2 4.22Å; E232-Y236 WeakPolarHBondContact O-CD2 3.49Å; E232-Y236 PolarHBondContact O-N 3.3Å |
| 233 | T | 41.2 | Very low | 57.4 | Low | 63 Ų | 63 | 92.8 Ų | 92.8 | 39% | 0.387 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.2 | -27.9 | 179.4 | 26.1 | 0 | 0 | 0 | 0 | 113.3 | V237 | T233-V237 VanDerWaalsContact O-CB 3.23Å; T233-V237 WeakPolarHBondContact O-CB 3.5Å; T233-V237 WeakPolarHBondContact O-CG2 3.36Å; T233-V237 PolarHBondContact O-N 2.96Å; T233-V237 VanDerWaalsContact O-N 3.07Å |
| 234 | I | 47.9 | Very low | 56.7 | Low | 97 Ų | 97 | 99.4 Ų | 99.4 | 50% | 0.497 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -72 | -45.4 | 175.5 | -62.2 | 174 | 0 | 0 | 0 | 109.5 | E232 Y236 V237 E238 | E232-I234 VanDerWaalsContact C-N 3.27Å; E232-I234 PolarHBondContact O-N 3.4Å; I234-Y236 PolarHBondContact O-N 3.25Å; I234-V237 PolarHBondContact O-N 3.32Å; I234-E238 HydrophobicContact CG2-CG 4.18Å; I234-E238 WeakPolarHBondContact CG2-OE1 3.46Å; I234-E238 VanDerWaalsContact O-CB 3.24Å; I234-E238 WeakPolarHBondContact O-CB 3.4Å; I234-E238 VanDerWaalsContact O-CG 3.29Å; I234-E238 WeakPolarHBondContact O-CG 3.37Å; I234-E238 PolarHBondContact O-N 3Å |
| 235 | T | 45.9 | Very low | 56.1 | Low | 73 Ų | 73 | 96.2 Ų | 96.2 | 45% | 0.448 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67 | -37.3 | 178.2 | 35.8 | 0 | 0 | 0 | 0 | 113.2 | E231 E232 T239 | E231-T235 PolarHBondContact O-OG1 3.49Å; E232-T235 WeakPolarHBondContact CA-OG1 3.38Å; E232-T235 PolarHBondContact O-N 3.21Å; E232-T235 PolarHBondContact O-OG1 2.93Å; E232-T235 VanDerWaalsContact O-OG1 3.05Å; T235-T239 WeakPolarHBondContact O-CB 3.43Å; T235-T239 WeakPolarHBondContact O-CG2 3.45Å; T235-T239 PolarHBondContact O-N 3.48Å; T235-T239 PolarHBondContact O-OG1 3.35Å |
| 236 | Y | 45.9 | Very low | 55.8 | Low | 161 Ų | 161 | 96.5 Ų | 96.5 | 63% | 0.631 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -70.7 | -35.5 | 174.4 | -79.4 | -70.7 | 0 | 0 | 0 | 113.2 | E232 I234 T239 A240 | E232-Y236 HydrophobicContact CB-CD2 4.21Å; E232-Y236 HydrophobicContact CB-CE2 4.22Å; E232-Y236 WeakPolarHBondContact O-CD2 3.49Å; E232-Y236 PolarHBondContact O-N 3.3Å; I234-Y236 PolarHBondContact O-N 3.25Å; Y236-T239 WeakPolarHBondContact CA-OG1 3.32Å; Y236-T239 PolarHBondContact O-OG1 3.05Å; Y236-A240 WeakPolarHBondContact O-CB 3.06Å; Y236-A240 PolarHBondContact O-N 3.03Å |
| 237 | V | 54.6 | Low | 56.3 | Low | 81 Ų | 81 | 103.3 Ų | 103.3 | 49% | 0.491 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -74.2 | -40.6 | 176.2 | 171.3 | 0 | 0 | 0 | 0 | 110.5 | T233 I234 A240 I241 | T233-V237 VanDerWaalsContact O-CB 3.23Å; T233-V237 WeakPolarHBondContact O-CB 3.5Å; T233-V237 WeakPolarHBondContact O-CG2 3.36Å; T233-V237 PolarHBondContact O-N 2.96Å; T233-V237 VanDerWaalsContact O-N 3.07Å; I234-V237 PolarHBondContact O-N 3.32Å; V237-A240 PolarHBondContact O-N 3.46Å; V237-I241 HydrophobicContact CG1-CD1 3.59Å; V237-I241 HydrophobicContact CG1-CG1 4.32Å; V237-I241 VanDerWaalsContact O-CB 3.32Å; V237-I241 WeakPolarHBondContact O-CB 3.41Å; V237-I241 WeakPolarHBondContact O-CD1 3.22Å; V237-I241 WeakPolarHBondContact O-CG1 2.97Å; V237-I241 PolarHBondContact O-N 3.25Å |
| 238 | E | 55.2 | Low | 57.2 | Low | 108 Ų | 108 | 101.1 Ų | 101.1 | 51% | 0.505 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.2 | -47.4 | 174.2 | -77.2 | 173.7 | 166.6 | 0 | 0 | 111.4 | I234 A240 I241 E242 | I234-E238 HydrophobicContact CG2-CG 4.18Å; I234-E238 WeakPolarHBondContact CG2-OE1 3.46Å; I234-E238 VanDerWaalsContact O-CB 3.24Å; I234-E238 WeakPolarHBondContact O-CB 3.4Å; I234-E238 VanDerWaalsContact O-CG 3.29Å; I234-E238 WeakPolarHBondContact O-CG 3.37Å; I234-E238 PolarHBondContact O-N 3Å; E238-A240 PolarHBondContact O-N 3.47Å; E238-I241 PolarHBondContact O-N 2.68Å; E238-E242 WeakPolarHBondContact O-CB 3.45Å; E238-E242 WeakPolarHBondContact O-CG 3.47Å; E238-E242 PolarHBondContact O-N 3.06Å |
| 239 | T | 58.9 | Low | 58.5 | Low | 58 Ų | 58 | 101.6 Ų | 101.6 | 36% | 0.356 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.8 | -34.4 | 176.5 | 48.2 | 0 | 0 | 0 | 0 | 113.1 | T235 Y236 M243 | T235-T239 WeakPolarHBondContact O-CB 3.43Å; T235-T239 WeakPolarHBondContact O-CG2 3.45Å; T235-T239 PolarHBondContact O-N 3.48Å; T235-T239 PolarHBondContact O-OG1 3.35Å; Y236-T239 WeakPolarHBondContact CA-OG1 3.32Å; Y236-T239 PolarHBondContact O-OG1 3.05Å; T239-M243 WeakPolarHBondContact O-CB 3.15Å; T239-M243 WeakPolarHBondContact O-CE 3.27Å; T239-M243 WeakPolarHBondContact O-CG 3.14Å; T239-M243 PolarHBondContact O-N 3.33Å |
| 240 | A | 59.8 | Low | 59.9 | Low | 55 Ų | 55 | 106.1 Ų | 106.1 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.2 | -34.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y236 V237 E238 K244 | Y236-A240 WeakPolarHBondContact O-CB 3.06Å; Y236-A240 PolarHBondContact O-N 3.03Å; V237-A240 PolarHBondContact O-N 3.46Å; E238-A240 PolarHBondContact O-N 3.47Å; A240-K244 VanDerWaalsContact O-CB 3.29Å; A240-K244 WeakPolarHBondContact O-CB 3.35Å; A240-K244 PolarHBondContact O-N 3.35Å |
| 241 | I | 68.3 | Low | 61.1 | Low | 99 Ų | 99 | 101.3 Ų | 101.3 | 51% | 0.508 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.2 | -46 | 173.3 | -70.9 | 166 | 0 | 0 | 0 | 109.8 | V237 E238 M243 K244 T245 | V237-I241 HydrophobicContact CG1-CD1 3.59Å; V237-I241 HydrophobicContact CG1-CG1 4.32Å; V237-I241 VanDerWaalsContact O-CB 3.32Å; V237-I241 WeakPolarHBondContact O-CB 3.41Å; V237-I241 WeakPolarHBondContact O-CD1 3.22Å; V237-I241 WeakPolarHBondContact O-CG1 2.97Å; V237-I241 PolarHBondContact O-N 3.25Å; E238-I241 PolarHBondContact O-N 2.68Å; I241-M243 PolarHBondContact O-N 3.33Å; I241-K244 PolarHBondContact O-N 3Å; I241-T245 WeakPolarHBondContact O-CB 3.15Å; I241-T245 PolarHBondContact O-N 3.11Å; I241-T245 PolarHBondContact O-OG1 3.01Å |
| 242 | E | 68.7 | Low | 62.3 | Low | 127 Ų | 127 | 99.8 Ų | 99.8 | 59% | 0.593 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58.6 | -49.1 | 175.7 | -77.5 | -179.3 | 162 | 0 | 0 | 111.6 | E238 K244 T245 D246 | E238-E242 WeakPolarHBondContact O-CB 3.45Å; E238-E242 WeakPolarHBondContact O-CG 3.47Å; E238-E242 PolarHBondContact O-N 3.06Å; E242-K244 VanDerWaalsContact C-N 3.32Å; E242-K244 PolarHBondContact O-N 3.32Å; E242-T245 PolarHBondContact O-N 2.96Å; E242-T245 VanDerWaalsContact O-N 3.11Å; E242-D246 PolarHBondContact O-N 3.37Å |
| 243 | M | 67.8 | Low | 63.5 | Low | 130 Ų | 130 | 101.7 Ų | 101.7 | 64% | 0.64 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.6 | -38.7 | 176.8 | -82.1 | -172.9 | -91.9 | 0 | 0 | 112.9 | T239 I241 T245 F247 | T239-M243 WeakPolarHBondContact O-CB 3.15Å; T239-M243 WeakPolarHBondContact O-CE 3.27Å; T239-M243 WeakPolarHBondContact O-CG 3.14Å; T239-M243 PolarHBondContact O-N 3.33Å; I241-M243 PolarHBondContact O-N 3.33Å; M243-T245 VanDerWaalsContact C-N 3.35Å; M243-F247 WeakPolarHBondContact O-CB 3.47Å; M243-F247 PolarHBondContact O-N 2.92Å |
| 244 | K | 73.3 | Confident | 63.9 | Low | 146 Ų | 146 | 105.9 Ų | 105.9 | 64% | 0.635 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67 | -38.1 | 176.1 | -172.1 | 179.3 | 179.6 | -173.7 | 0 | 111.5 | A240 I241 E242 F247 I248 | A240-K244 VanDerWaalsContact O-CB 3.29Å; A240-K244 WeakPolarHBondContact O-CB 3.35Å; A240-K244 PolarHBondContact O-N 3.35Å; I241-K244 PolarHBondContact O-N 3Å; E242-K244 VanDerWaalsContact C-N 3.32Å; E242-K244 PolarHBondContact O-N 3.32Å; K244-F247 PolarHBondContact O-N 3.07Å; K244-I248 HydrophobicContact CG-CD1 4.14Å; K244-I248 VanDerWaalsContact O-CG1 3.28Å; K244-I248 WeakPolarHBondContact O-CG1 3.13Å; K244-I248 PolarHBondContact O-N 3.16Å; K244-I248 VanDerWaalsContact O-N 3.09Å |
| 245 | T | 73.3 | Confident | 64.7 | Low | 66 Ų | 66 | 106.3 Ų | 106.3 | 41% | 0.405 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -70.4 | -41.5 | -179.4 | -42 | 0 | 0 | 0 | 0 | 110.9 | I241 E242 M243 F247 I248 N249 | I241-T245 WeakPolarHBondContact O-CB 3.15Å; I241-T245 PolarHBondContact O-N 3.11Å; I241-T245 PolarHBondContact O-OG1 3.01Å; E242-T245 PolarHBondContact O-N 2.96Å; E242-T245 VanDerWaalsContact O-N 3.11Å; M243-T245 VanDerWaalsContact C-N 3.35Å; T245-F247 PolarHBondContact O-N 3.42Å; T245-I248 PolarHBondContact O-N 3.26Å; T245-N249 WeakPolarHBondContact O-CB 3.09Å; T245-N249 VanDerWaalsContact O-CG 3.27Å; T245-N249 PolarHBondContact O-N 3.28Å; T245-N249 PolarHBondContact O-ND2 3.1Å |
| 246 | D | 73.2 | Confident | 65.7 | Low | 100 Ų | 100 | 108.1 Ų | 108.1 | 54% | 0.535 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.7 | -38.9 | 173.5 | -90.3 | -3.5 | 0 | 0 | 0 | 112.9 | E242 N249 K250 | E242-D246 PolarHBondContact O-N 3.37Å; D246-N249 PolarHBondContact O-N 2.83Å; D246-K250 WeakPolarHBondContact O-CB 2.99Å; D246-K250 WeakPolarHBondContact O-CG 3.33Å; D246-K250 PolarHBondContact O-N 2.83Å |
| 247 | F | 74.9 | Confident | 66.8 | Low | 158 Ų | 158 | 105.1 Ų | 105.1 | 69% | 0.693 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.7 | -42.1 | 177.1 | -164.5 | -90.5 | 0 | 0 | 0 | 111.7 | M243 K244 T245 K250 A251 | M243-F247 WeakPolarHBondContact O-CB 3.47Å; M243-F247 PolarHBondContact O-N 2.92Å; K244-F247 PolarHBondContact O-N 3.07Å; T245-F247 PolarHBondContact O-N 3.42Å; F247-K250 PolarHBondContact O-N 2.92Å; F247-A251 WeakPolarHBondContact O-CB 3.22Å; F247-A251 PolarHBondContact O-N 3.01Å |
| 248 | I | 74.6 | Confident | 67.6 | Low | 87 Ų | 87 | 106.5 Ų | 106.5 | 45% | 0.446 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.8 | -43.8 | 176.6 | -69 | 167 | 0 | 0 | 0 | 110.7 | K244 T245 K250 A251 T252 | K244-I248 HydrophobicContact CG-CD1 4.14Å; K244-I248 VanDerWaalsContact O-CG1 3.28Å; K244-I248 WeakPolarHBondContact O-CG1 3.13Å; K244-I248 PolarHBondContact O-N 3.16Å; K244-I248 VanDerWaalsContact O-N 3.09Å; T245-I248 PolarHBondContact O-N 3.26Å; I248-K250 VanDerWaalsContact C-N 3.34Å; I248-K250 PolarHBondContact O-N 3.21Å; I248-A251 PolarHBondContact O-N 2.78Å; I248-T252 PolarHBondContact O-N 3.02Å; I248-T252 VanDerWaalsContact O-N 3.08Å; I248-T252 PolarHBondContact O-OG1 2.93Å |
| 249 | N | 73.7 | Confident | 68.3 | Low | 88 Ų | 88 | 106.4 Ų | 106.4 | 47% | 0.471 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.8 | -34.9 | 179.4 | -72.2 | -20.1 | 0 | 0 | 0 | 112.9 | T245 D246 T252 T253 | T245-N249 WeakPolarHBondContact O-CB 3.09Å; T245-N249 VanDerWaalsContact O-CG 3.27Å; T245-N249 PolarHBondContact O-N 3.28Å; T245-N249 PolarHBondContact O-ND2 3.1Å; D246-N249 PolarHBondContact O-N 2.83Å; N249-T252 PolarHBondContact O-OG1 2.61Å; N249-T253 PolarHBondContact O-N 3.06Å; N249-T253 PolarHBondContact O-OG1 2.95Å |
| 250 | K | 73.5 | Confident | 69 | Low | 157 Ų | 157 | 109.7 Ų | 109.7 | 68% | 0.683 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -70.8 | -33.5 | 172.9 | -79.2 | 179.5 | 179.2 | 173.1 | 0 | 112.8 | D246 F247 I248 T253 | D246-K250 WeakPolarHBondContact O-CB 2.99Å; D246-K250 WeakPolarHBondContact O-CG 3.33Å; D246-K250 PolarHBondContact O-N 2.83Å; F247-K250 PolarHBondContact O-N 2.92Å; I248-K250 VanDerWaalsContact C-N 3.34Å; I248-K250 PolarHBondContact O-N 3.21Å; K250-T253 PolarHBondContact O-OG1 3.16Å |
| 251 | A | 68.5 | Low | 69.6 | Low | 58 Ų | 58 | 113.6 Ų | 113.6 | 48% | 0.479 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -76.3 | -21.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | F247 I248 | F247-A251 WeakPolarHBondContact O-CB 3.22Å; F247-A251 PolarHBondContact O-N 3.01Å; I248-A251 PolarHBondContact O-N 2.78Å |
| 252 | T | 68.3 | Low | 69.7 | Low | 102 Ų | 102 | 114.7 Ų | 114.7 | 63% | 0.626 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -93.3 | -7.7 | 178.4 | 47.8 | 0 | 0 | 0 | 0 | 114.1 | I248 N249 | I248-T252 PolarHBondContact O-N 3.02Å; I248-T252 VanDerWaalsContact O-N 3.08Å; I248-T252 PolarHBondContact O-OG1 2.93Å; N249-T252 PolarHBondContact O-OG1 2.61Å |
| 253 | T | 65.2 | Low | 69.8 | Low | 121 Ų | 121 | 113.7 Ų | 113.7 | 74% | 0.742 | 62% | 0.618 | S | S | * | * | trans | -106.8 | 4.7 | 180 | 46.5 | 0 | 0 | 0 | 0 | 114.1 | N249 K250 | N249-T253 PolarHBondContact O-N 3.06Å; N249-T253 PolarHBondContact O-OG1 2.95Å; K250-T253 PolarHBondContact O-OG1 3.16Å | ||
| 254 | S | 51.3 | Low | 70 | Confident | 151 Ų | 151 | 112.2 Ų | 112.2 | 100% | 1.056 | 62% | 0.615 | S | S | * | * | trans | -106.4 | 0 | 170.7 | 66.3 | 0 | 0 | 0 | 0 | 111.6 |
Retrieved 254 of 254 residues in 316.7 ms
(Link to these results)