| 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 | 37.8 | Very low | 53.6 | Low | 195 Ų | 195 | 95.6 Ų | 95.6 | 96% | 0.961 | 51% | 0.512 | S | S | * | . | 0 | -51.3 | 0 | -72.1 | 179 | -163.2 | 0 | 0 | 112.2 | H3 Q4 D5 | M1-H3 VanDerWaalsContact C-N 3.3Å; M1-H3 PolarHBondContact O-N 3.17Å; M1-H3 VanDerWaalsContact O-N 3.15Å; M1-Q4 WeakPolarHBondContact O-CB 3.05Å; M1-Q4 PolarHBondContact O-N 3.17Å; M1-D5 PolarHBondContact O-N 2.78Å | |||
| 2 | A | 35.2 | Very low | 54.8 | Low | 79 Ų | 79 | 92.8 Ų | 92.8 | 65% | 0.653 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -56.5 | -32.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q4 L6 | A2-Q4 VanDerWaalsContact C-N 3.3Å; A2-Q4 PolarHBondContact O-N 3.17Å; A2-L6 PolarHBondContact O-N 3.12Å |
| 3 | H | 37.2 | Very low | 56.1 | Low | 174 Ų | 174 | 90.7 Ų | 90.7 | 81% | 0.806 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -75.8 | -17.2 | 178.9 | -147.7 | -56.3 | 0 | 0 | 0 | 113.7 | M1 | M1-H3 VanDerWaalsContact C-N 3.3Å; M1-H3 PolarHBondContact O-N 3.17Å; M1-H3 VanDerWaalsContact O-N 3.15Å |
| 4 | Q | 48.3 | Very low | 56.8 | Low | 132 Ų | 132 | 85.4 Ų | 85.4 | 62% | 0.617 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -86.8 | -38.2 | -179.8 | -138 | 165.3 | -15.1 | 0 | 0 | 110.5 | M1 A2 S7 I8 | M1-Q4 WeakPolarHBondContact O-CB 3.05Å; M1-Q4 PolarHBondContact O-N 3.17Å; A2-Q4 VanDerWaalsContact C-N 3.3Å; A2-Q4 PolarHBondContact O-N 3.17Å; Q4-S7 PolarHBondContact O-N 2.88Å; Q4-I8 PolarHBondContact O-N 2.98Å |
| 5 | D | 48.7 | Very low | 57.4 | Low | 99 Ų | 99 | 79.9 Ų | 79.9 | 53% | 0.529 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.7 | -35.7 | 174.1 | -65.8 | -38.3 | 0 | 0 | 0 | 112.7 | M1 S7 I8 T9 | M1-D5 PolarHBondContact O-N 2.78Å; D5-S7 VanDerWaalsContact C-N 3.3Å; D5-S7 PolarHBondContact O-N 3.4Å; D5-I8 PolarHBondContact O-N 3.48Å; D5-T9 WeakPolarHBondContact O-CB 3.43Å; D5-T9 PolarHBondContact O-N 2.94Å; D5-T9 PolarHBondContact O-OG1 2.82Å |
| 6 | L | 50.8 | Low | 58.2 | Low | 84 Ų | 84 | 75.9 Ų | 75.9 | 44% | 0.44 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.3 | -38.4 | 173.6 | -120.4 | 98.6 | 0 | 0 | 0 | 111.5 | A2 A10 L311 | A2-L6 PolarHBondContact O-N 3.12Å; L6-A10 WeakPolarHBondContact O-CB 3.36Å; L6-A10 PolarHBondContact O-N 3.37Å; L6-L311 HydrophobicContact CD2-CD2 3.97Å; L6-L311 HydrophobicContact CG-CD2 4.34Å |
| 7 | S | 65.3 | Low | 59 | Low | 49 Ų | 49 | 73.7 Ų | 73.7 | 34% | 0.343 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -68.8 | -40.9 | 179.1 | -170.4 | 0 | 0 | 0 | 0 | 112.3 | Q4 D5 K11 | Q4-S7 PolarHBondContact O-N 2.88Å; D5-S7 VanDerWaalsContact C-N 3.3Å; D5-S7 PolarHBondContact O-N 3.4Å; S7-K11 WeakPolarHBondContact O-CB 3.31Å; S7-K11 WeakPolarHBondContact O-CD 3.24Å; S7-K11 WeakPolarHBondContact O-CG 3.11Å; S7-K11 PolarHBondContact O-N 3.36Å; S7-K11 WeakPolarHBondContact OG-CE 3.32Å; S7-K11 PolarHBondContact OG-NZ 2.91Å |
| 8 | I | 66.5 | Low | 59.4 | Low | 61 Ų | 61 | 70.2 Ų | 70.2 | 31% | 0.313 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -68.4 | -44.8 | 179.4 | -65.7 | 168.5 | 0 | 0 | 0 | 110.2 | Q4 D5 K11 L12 | Q4-I8 PolarHBondContact O-N 2.98Å; D5-I8 PolarHBondContact O-N 3.48Å; I8-K11 PolarHBondContact O-N 3.02Å; I8-L12 HydrophobicContact CG2-CD1 4.17Å; I8-L12 WeakPolarHBondContact O-CB 3.4Å; I8-L12 PolarHBondContact O-N 2.81Å |
| 9 | T | 68.1 | Low | 59.9 | Low | 74 Ų | 74 | 67.2 Ų | 67.2 | 45% | 0.454 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.4 | -44.2 | 177.7 | -54.8 | 0 | 0 | 0 | 0 | 111.6 | D5 K11 L12 I13 | D5-T9 WeakPolarHBondContact O-CB 3.43Å; D5-T9 PolarHBondContact O-N 2.94Å; D5-T9 PolarHBondContact O-OG1 2.82Å; T9-K11 VanDerWaalsContact C-N 3.34Å; T9-K11 PolarHBondContact O-N 3.26Å; T9-L12 WeakPolarHBondContact O-CB 3.27Å; T9-L12 PolarHBondContact O-N 2.85Å; T9-I13 HydrophobicContact CG2-CD1 3.91Å; T9-I13 VanDerWaalsContact O-CG1 3.29Å; T9-I13 WeakPolarHBondContact O-CG1 3.47Å; T9-I13 PolarHBondContact O-N 3.3Å |
| 10 | A | 65.3 | Low | 60.6 | Low | 15 Ų | 15 | 67.4 Ų | 67.4 | 12% | 0.124 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.9 | -38.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L6 N14 L311 | L6-A10 WeakPolarHBondContact O-CB 3.36Å; L6-A10 PolarHBondContact O-N 3.37Å; A10-N14 VanDerWaalsContact O-CB 3.27Å; A10-N14 WeakPolarHBondContact O-CB 3.2Å; A10-N14 PolarHBondContact O-N 3.39Å; A10-N14 PolarHBondContact O-ND2 3.43Å; A10-L311 HydrophobicContact CB-CD1 3.65Å; A10-L311 HydrophobicContact CB-CD2 4.27Å |
| 11 | K | 66 | Low | 61.3 | Low | 90 Ų | 90 | 67 Ų | 67 | 39% | 0.391 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.4 | -41.1 | 175.1 | -74.3 | 168.9 | -176.8 | 167.3 | 0 | 112 | S7 I8 T9 N14 G15 L83 | S7-K11 WeakPolarHBondContact O-CB 3.31Å; S7-K11 WeakPolarHBondContact O-CD 3.24Å; S7-K11 WeakPolarHBondContact O-CG 3.11Å; S7-K11 PolarHBondContact O-N 3.36Å; S7-K11 WeakPolarHBondContact OG-CE 3.32Å; S7-K11 PolarHBondContact OG-NZ 2.91Å; I8-K11 PolarHBondContact O-N 3.02Å; T9-K11 VanDerWaalsContact C-N 3.34Å; T9-K11 PolarHBondContact O-N 3.26Å; K11-N14 WeakPolarHBondContact O-CB 3.48Å; K11-N14 PolarHBondContact O-N 2.72Å; K11-G15 PolarHBondContact O-N 3.4Å; K11-L83 WeakPolarHBondContact O-CD2 3.27Å |
| 12 | L | 68.8 | Low | 62.8 | Low | 61 Ų | 61 | 57.9 Ų | 57.9 | 32% | 0.319 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.1 | -45.8 | 173.8 | -93.1 | 170.4 | 0 | 0 | 0 | 112.3 | I8 T9 G15 G16 A84 | I8-L12 HydrophobicContact CG2-CD1 4.17Å; I8-L12 WeakPolarHBondContact O-CB 3.4Å; I8-L12 PolarHBondContact O-N 2.81Å; T9-L12 WeakPolarHBondContact O-CB 3.27Å; T9-L12 PolarHBondContact O-N 2.85Å; L12-G15 PolarHBondContact O-N 3.08Å; L12-G16 PolarHBondContact O-N 3.22Å; L12-A84 HydrophobicContact CD2-CB 3.73Å |
| 13 | I | 70.8 | Confident | 64.5 | Low | 66 Ų | 66 | 54.9 Ų | 54.9 | 34% | 0.338 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.7 | -46.2 | 176.4 | -68.1 | 167.5 | 0 | 0 | 0 | 110.1 | T9 G15 G16 V17 L311 | T9-I13 HydrophobicContact CG2-CD1 3.91Å; T9-I13 VanDerWaalsContact O-CG1 3.29Å; T9-I13 WeakPolarHBondContact O-CG1 3.47Å; T9-I13 PolarHBondContact O-N 3.3Å; I13-G15 VanDerWaalsContact C-N 3.28Å; I13-G15 PolarHBondContact O-N 3.45Å; I13-G16 PolarHBondContact O-N 3.44Å; I13-V17 HydrophobicContact CG2-CG2 4.28Å; I13-V17 WeakPolarHBondContact O-CB 3.48Å; I13-V17 VanDerWaalsContact O-CG2 3.29Å; I13-V17 WeakPolarHBondContact O-CG2 3.07Å; I13-V17 PolarHBondContact O-N 3.46Å; I13-L311 HydrophobicContact CD1-CD1 3.95Å |
| 14 | N | 66.6 | Low | 66.4 | Low | 16 Ų | 16 | 49.2 Ų | 49.2 | 9% | 0.086 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -52.9 | -47.5 | 172.9 | -93.2 | -55.4 | 0 | 0 | 0 | 111.8 | A10 K11 A18 G307 | A10-N14 VanDerWaalsContact O-CB 3.27Å; A10-N14 WeakPolarHBondContact O-CB 3.2Å; A10-N14 PolarHBondContact O-N 3.39Å; A10-N14 PolarHBondContact O-ND2 3.43Å; K11-N14 WeakPolarHBondContact O-CB 3.48Å; K11-N14 PolarHBondContact O-N 2.72Å; N14-A18 WeakPolarHBondContact O-CB 3.31Å; N14-A18 PolarHBondContact O-N 2.79Å; N14-G307 VanDerWaalsContact CG-CA 3.43Å; N14-G307 WeakPolarHBondContact OD1-CA 3.11Å; N14-G307 PolarHBondContact OD1-N 3.32Å |
| 15 | G | 65.4 | Low | 67.8 | Low | 3 Ų | 3 | 46 Ų | 46 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | K11 L12 I13 G19 | K11-G15 PolarHBondContact O-N 3.4Å; L12-G15 PolarHBondContact O-N 3.08Å; I13-G15 VanDerWaalsContact C-N 3.28Å; I13-G15 PolarHBondContact O-N 3.45Å; G15-G19 PolarHBondContact O-N 2.84Å |
| 16 | G | 70.2 | Confident | 69 | Low | 17 Ų | 17 | 41.4 Ų | 41.4 | 18% | 0.175 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.4 | -45.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L12 I13 G19 L20 | L12-G16 PolarHBondContact O-N 3.22Å; I13-G16 PolarHBondContact O-N 3.44Å; G16-G19 PolarHBondContact O-N 2.88Å; G16-L20 WeakPolarHBondContact O-CB 3.48Å; G16-L20 PolarHBondContact O-N 3.42Å |
| 17 | V | 72.6 | Confident | 70.2 | Confident | 38 Ų | 38 | 37.8 Ų | 37.8 | 23% | 0.23 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.4 | -45.4 | 177 | 174.6 | 0 | 0 | 0 | 0 | 110.8 | I13 G19 L20 V21 I306 I310 | I13-V17 HydrophobicContact CG2-CG2 4.28Å; I13-V17 WeakPolarHBondContact O-CB 3.48Å; I13-V17 VanDerWaalsContact O-CG2 3.29Å; I13-V17 WeakPolarHBondContact O-CG2 3.07Å; I13-V17 PolarHBondContact O-N 3.46Å; V17-G19 VanDerWaalsContact C-N 3.29Å; V17-G19 PolarHBondContact O-N 3.19Å; V17-L20 PolarHBondContact O-N 3.36Å; V17-V21 HydrophobicContact CG1-CG2 4.26Å; V17-V21 WeakPolarHBondContact O-CB 3.47Å; V17-V21 VanDerWaalsContact O-CG2 3.3Å; V17-V21 WeakPolarHBondContact O-CG2 3.14Å; V17-V21 PolarHBondContact O-N 2.93Å; V17-I306 HydrophobicContact CG1-CG2 4.08Å; V17-I310 HydrophobicContact CG2-CD1 4.19Å |
| 18 | A | 66.4 | Low | 70.7 | Confident | 10 Ų | 10 | 36.2 Ų | 36.2 | 8% | 0.083 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.1 | -43 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | N14 G22 V301 | N14-A18 WeakPolarHBondContact O-CB 3.31Å; N14-A18 PolarHBondContact O-N 2.79Å; A18-G22 PolarHBondContact O-N 2.88Å; A18-V301 HydrophobicContact CB-CB 3.86Å; A18-V301 HydrophobicContact CB-CG1 3.55Å; A18-V301 HydrophobicContact CB-CG2 4.31Å |
| 19 | G | 67.8 | Low | 71.2 | Confident | 14 Ų | 14 | 35 Ų | 35 | 14% | 0.144 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.2 | -45.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G15 G16 V17 G22 V23 | G15-G19 PolarHBondContact O-N 2.84Å; G16-G19 PolarHBondContact O-N 2.88Å; V17-G19 VanDerWaalsContact C-N 3.29Å; V17-G19 PolarHBondContact O-N 3.19Å; G19-G22 PolarHBondContact O-N 2.7Å; G19-V23 WeakPolarHBondContact O-CB 3.39Å; G19-V23 WeakPolarHBondContact O-CG2 3.37Å; G19-V23 PolarHBondContact O-N 2.91Å |
| 20 | L | 73.6 | Confident | 71.4 | Confident | 71 Ų | 71 | 34.1 Ų | 34.1 | 37% | 0.372 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -65.3 | -46 | -179.3 | -169.7 | 69.8 | 0 | 0 | 0 | 112.1 | G16 V17 T24 L72 | G16-L20 WeakPolarHBondContact O-CB 3.48Å; G16-L20 PolarHBondContact O-N 3.42Å; V17-L20 PolarHBondContact O-N 3.36Å; L20-T24 WeakPolarHBondContact O-CB 3.37Å; L20-T24 PolarHBondContact O-N 3.48Å; L20-T24 PolarHBondContact O-OG1 3.31Å; L20-L72 HydrophobicContact CD1-CD2 3.48Å; L20-L72 VanDerWaalsContact CD1-CD2 3.48Å; L20-L72 HydrophobicContact CD1-CG 3.88Å |
| 21 | V | 75.9 | Confident | 71.7 | Confident | 60 Ų | 60 | 34.6 Ų | 34.6 | 36% | 0.364 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -64.7 | -47.1 | 176.6 | 176.2 | 0 | 0 | 0 | 0 | 109.9 | V17 V23 T24 C25 I297 | V17-V21 HydrophobicContact CG1-CG2 4.26Å; V17-V21 WeakPolarHBondContact O-CB 3.47Å; V17-V21 VanDerWaalsContact O-CG2 3.3Å; V17-V21 WeakPolarHBondContact O-CG2 3.14Å; V17-V21 PolarHBondContact O-N 2.93Å; V21-V23 PolarHBondContact O-N 2.85Å; V21-T24 PolarHBondContact O-N 3.35Å; V21-C25 PolarHBondContact O-N 2.93Å; V21-C25 PolarHBondContact O-SG 3.45Å; V21-C25 VanDerWaalsContact O-SG 3.34Å; V21-I297 HydrophobicContact CG1-CG2 3.93Å |
| 22 | G | 70.3 | Confident | 72 | Confident | 2 Ų | 2 | 30.3 Ų | 30.3 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.1 | -49.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A18 G19 T24 C25 V26 | A18-G22 PolarHBondContact O-N 2.88Å; G19-G22 PolarHBondContact O-N 2.7Å; G22-T24 PolarHBondContact O-N 3.33Å; G22-C25 PolarHBondContact O-N 2.8Å; G22-V26 VanDerWaalsContact O-CB 3.28Å; G22-V26 WeakPolarHBondContact O-CB 3.5Å; G22-V26 WeakPolarHBondContact O-CG2 3.46Å; G22-V26 PolarHBondContact O-N 3.06Å |
| 23 | V | 70.6 | Confident | 72.2 | Confident | 16 Ų | 16 | 29 Ų | 29 | 10% | 0.097 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.2 | -43.3 | 177.5 | 170.8 | 0 | 0 | 0 | 0 | 111 | G19 V21 C25 V26 F27 L72 V75 | G19-V23 WeakPolarHBondContact O-CB 3.39Å; G19-V23 WeakPolarHBondContact O-CG2 3.37Å; G19-V23 PolarHBondContact O-N 2.91Å; V21-V23 PolarHBondContact O-N 2.85Å; V23-C25 PolarHBondContact O-N 3.41Å; V23-V26 PolarHBondContact O-N 3.43Å; V23-F27 WeakPolarHBondContact O-CA 3.38Å; V23-F27 WeakPolarHBondContact O-CB 3.29Å; V23-F27 PolarHBondContact O-N 3.36Å; V23-L72 HydrophobicContact CG1-CD1 3.74Å; V23-L72 HydrophobicContact CG1-CG 4.39Å; V23-V75 HydrophobicContact CG2-CB 4.3Å; V23-V75 HydrophobicContact CG2-CG1 3.52Å |
| 24 | T | 75.9 | Confident | 72.1 | Confident | 55 Ų | 55 | 28.8 Ų | 28.8 | 34% | 0.337 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -63.8 | -40.2 | -178.6 | -56.7 | 0 | 0 | 0 | 0 | 112.1 | L20 V21 G22 P28 Y65 | L20-T24 WeakPolarHBondContact O-CB 3.37Å; L20-T24 PolarHBondContact O-N 3.48Å; L20-T24 PolarHBondContact O-OG1 3.31Å; V21-T24 PolarHBondContact O-N 3.35Å; G22-T24 PolarHBondContact O-N 3.33Å; T24-P28 WeakPolarHBondContact O-CD 3.36Å; T24-Y65 HydrophobicContact CG2-CE1 4.1Å; T24-Y65 WeakPolarHBondContact O-CE1 3.38Å; T24-Y65 PolarHBondContact O-OH 2.98Å |
| 25 | C | 77.3 | Confident | 72.1 | Confident | 65 Ų | 65 | 30.8 Ų | 30.8 | 44% | 0.439 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -73 | -36 | 177.3 | -66.2 | 0 | 0 | 0 | 0 | 112.9 | V21 G22 V23 I297 | V21-C25 PolarHBondContact O-N 2.93Å; V21-C25 PolarHBondContact O-SG 3.45Å; V21-C25 VanDerWaalsContact O-SG 3.34Å; G22-C25 PolarHBondContact O-N 2.8Å; V23-C25 PolarHBondContact O-N 3.41Å; C25-I297 HydrophobicContact CB-CD1 3.33Å |
| 26 | V | 74.6 | Confident | 72.3 | Confident | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.018 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -85 | -21.4 | -176.4 | 176.9 | 0 | 0 | 0 | 0 | 112.1 | G22 V23 I29 D30 V290 P293 L294 I297 | G22-V26 VanDerWaalsContact O-CB 3.28Å; G22-V26 WeakPolarHBondContact O-CB 3.5Å; G22-V26 WeakPolarHBondContact O-CG2 3.46Å; G22-V26 PolarHBondContact O-N 3.06Å; V23-V26 PolarHBondContact O-N 3.43Å; V26-I29 WeakPolarHBondContact O-CA 3.08Å; V26-I29 WeakPolarHBondContact O-CB 3.29Å; V26-I29 PolarHBondContact O-N 3.38Å; V26-D30 PolarHBondContact O-N 2.98Å; V26-V290 HydrophobicContact CG1-CB 4.46Å; V26-V290 HydrophobicContact CG1-CG1 3.66Å; V26-P293 HydrophobicContact CG2-CB 4.17Å; V26-L294 HydrophobicContact CG2-CB 4.22Å; V26-L294 HydrophobicContact CG2-CD1 4.16Å; V26-I297 HydrophobicContact CG2-CD1 4.37Å |
| 27 | F | 75.6 | Confident | 71.8 | Confident | 8 Ų | 8 | 36.5 Ų | 36.5 | 4% | 0.035 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -53 | -46.4 | -176.4 | -173.3 | -90.3 | 0 | 0 | 0 | 114.1 | V23 I29 D30 L31 M64 Y65 A68 N71 | V23-F27 WeakPolarHBondContact O-CA 3.38Å; V23-F27 WeakPolarHBondContact O-CB 3.29Å; V23-F27 PolarHBondContact O-N 3.36Å; F27-I29 VanDerWaalsContact C-N 3.27Å; F27-I29 PolarHBondContact O-N 3.46Å; F27-D30 PolarHBondContact O-N 3.13Å; F27-L31 HydrophobicContact CE1-CD1 4.43Å; F27-L31 WeakPolarHBondContact O-CB 3.05Å; F27-L31 PolarHBondContact O-N 2.98Å; F27-M64 VanDerWaalsContact CD1-O 3.29Å; F27-M64 WeakPolarHBondContact CD1-O 3.31Å; F27-M64 WeakPolarHBondContact CE1-O 3.41Å; F27-Y65 HydrophobicContact CB-CE1 4.34Å; F27-Y65 AromaticContact CD1-CD1 3.85Å; F27-Y65 HydrophobicContact CD1-CD1 3.85Å; F27-Y65 HydrophobicContact CD1-CE1 4.36Å; F27-Y65 HydrophobicContact CD1-CG 4.47Å; F27-Y65 HydrophobicContact CG-CD1 4.43Å; F27-A68 HydrophobicContact CD1-CB 3.91Å; F27-A68 HydrophobicContact CD2-CB 3.96Å; F27-A68 HydrophobicContact CE1-CB 3.7Å; F27-A68 HydrophobicContact CE2-CB 3.75Å; F27-A68 HydrophobicContact CG-CB 4.05Å; F27-A68 HydrophobicContact CZ-CB 3.62Å; F27-N71 HydrophobicContact CD2-CB 4.23Å; F27-N71 HydrophobicContact CE2-CB 3.93Å; F27-N71 WeakPolarHBondContact CE2-ND2 3.49Å |
| 28 | P | 75.4 | Confident | 71.3 | Confident | 15 Ų | 15 | 37.3 Ų | 37.3 | 10% | 0.097 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -50.1 | -44.1 | 170.7 | -34.9 | 41.3 | 0 | 0 | 0 | 114.6 | T24 L31 A32 L52 M64 Y65 | T24-P28 WeakPolarHBondContact O-CD 3.36Å; P28-L31 WeakPolarHBondContact O-CB 3.21Å; P28-L31 PolarHBondContact O-N 3.46Å; P28-A32 PolarHBondContact O-N 3.18Å; P28-L52 HydrophobicContact CB-CD2 4.25Å; P28-L52 WeakPolarHBondContact O-CD2 3.35Å; P28-M64 HydrophobicContact CB-CE 3.56Å; P28-M64 HydrophobicContact CG-CE 3.96Å; P28-Y65 HydrophobicContact CG-CE1 4.26Å; P28-Y65 HydrophobicContact CG-CE2 4.4Å |
| 29 | I | 78.4 | Confident | 71 | Confident | 37 Ų | 37 | 39.1 Ų | 39.1 | 19% | 0.19 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -72.2 | -41.2 | -176.4 | -53.2 | 177.6 | 0 | 0 | 0 | 109.6 | V26 F27 L31 A32 K33 M48 V290 P293 | V26-I29 WeakPolarHBondContact O-CA 3.08Å; V26-I29 WeakPolarHBondContact O-CB 3.29Å; V26-I29 PolarHBondContact O-N 3.38Å; F27-I29 VanDerWaalsContact C-N 3.27Å; F27-I29 PolarHBondContact O-N 3.46Å; I29-L31 VanDerWaalsContact C-N 3.34Å; I29-L31 PolarHBondContact O-N 3.28Å; I29-A32 PolarHBondContact O-N 3.35Å; I29-K33 WeakPolarHBondContact O-CB 3.48Å; I29-K33 PolarHBondContact O-N 3.13Å; I29-M48 HydrophobicContact CG2-SD 3.79Å; I29-V290 HydrophobicContact CB-CG2 4.35Å; I29-V290 HydrophobicContact CG2-CG2 3.61Å; I29-P293 HydrophobicContact CD1-CG 4.05Å |
| 30 | D | 71.8 | Confident | 70 | Confident | 55 Ų | 55 | 46.1 Ų | 46.1 | 29% | 0.294 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62 | -40.6 | 173.7 | -82.9 | -23.1 | 0 | 0 | 0 | 112 | V26 F27 K33 T34 V290 | V26-D30 PolarHBondContact O-N 2.98Å; F27-D30 PolarHBondContact O-N 3.13Å; D30-K33 PolarHBondContact O-N 3.39Å; D30-T34 WeakPolarHBondContact O-CB 3.45Å; D30-T34 VanDerWaalsContact O-CG2 3.31Å; D30-T34 WeakPolarHBondContact O-CG2 3.49Å; D30-T34 PolarHBondContact O-N 3.08Å; D30-T34 PolarHBondContact O-OG1 3.45Å; D30-V290 WeakPolarHBondContact OD1-CG1 3.11Å; D30-V290 VanDerWaalsContact OD1-CG2 3.32Å; D30-V290 WeakPolarHBondContact OD1-CG2 3.29Å |
| 31 | L | 72.7 | Confident | 69.2 | Low | 24 Ų | 24 | 46.4 Ų | 46.4 | 13% | 0.126 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.6 | -47.7 | 174.1 | -171.2 | 92.2 | 0 | 0 | 0 | 110.9 | F27 P28 I29 K33 T34 R35 T55 M64 | F27-L31 HydrophobicContact CE1-CD1 4.43Å; F27-L31 WeakPolarHBondContact O-CB 3.05Å; F27-L31 PolarHBondContact O-N 2.98Å; P28-L31 WeakPolarHBondContact O-CB 3.21Å; P28-L31 PolarHBondContact O-N 3.46Å; I29-L31 VanDerWaalsContact C-N 3.34Å; I29-L31 PolarHBondContact O-N 3.28Å; L31-K33 VanDerWaalsContact C-N 3.34Å; L31-K33 PolarHBondContact O-N 3.25Å; L31-T34 WeakPolarHBondContact CA-OG1 3.46Å; L31-T34 PolarHBondContact O-N 2.71Å; L31-T34 PolarHBondContact O-OG1 2.92Å; L31-R35 WeakPolarHBondContact O-CB 3.4Å; L31-R35 WeakPolarHBondContact O-CG 3.27Å; L31-R35 PolarHBondContact O-N 2.84Å; L31-T55 HydrophobicContact CD2-CG2 3.97Å; L31-M64 HydrophobicContact CD2-CG 4.45Å |
| 32 | A | 72.1 | Confident | 67.8 | Low | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.008 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63 | -41.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | P28 I29 R35 L36 M48 L52 | P28-A32 PolarHBondContact O-N 3.18Å; I29-A32 PolarHBondContact O-N 3.35Å; A32-R35 PolarHBondContact O-N 3.32Å; A32-L36 VanDerWaalsContact O-CB 3.29Å; A32-L36 WeakPolarHBondContact O-CB 3.33Å; A32-L36 PolarHBondContact O-N 3.23Å; A32-M48 HydrophobicContact CB-CG 3.76Å; A32-L52 HydrophobicContact CB-CD1 4.31Å; A32-L52 HydrophobicContact CB-CD2 3.76Å; A32-L52 HydrophobicContact CB-CG 3.64Å |
| 33 | K | 72.4 | Confident | 67.3 | Low | 32 Ų | 32 | 57.3 Ų | 57.3 | 14% | 0.139 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.8 | -49.5 | 174.4 | 171.9 | 176.9 | -178.3 | -177.2 | 0 | 111.6 | I29 D30 L31 R35 L36 Q37 C286 V290 | I29-K33 WeakPolarHBondContact O-CB 3.48Å; I29-K33 PolarHBondContact O-N 3.13Å; D30-K33 PolarHBondContact O-N 3.39Å; L31-K33 VanDerWaalsContact C-N 3.34Å; L31-K33 PolarHBondContact O-N 3.25Å; K33-R35 VanDerWaalsContact C-N 3.33Å; K33-R35 PolarHBondContact O-N 3.29Å; K33-L36 PolarHBondContact O-N 3.29Å; K33-Q37 VanDerWaalsContact CE-NE2 3.26Å; K33-Q37 HydrophobicContact CG-CG 4.28Å; K33-Q37 WeakPolarHBondContact O-CB 3.44Å; K33-Q37 VanDerWaalsContact O-CG 3.27Å; K33-Q37 WeakPolarHBondContact O-CG 3.37Å; K33-Q37 PolarHBondContact O-N 3.43Å; K33-C286 HydrophobicContact CB-CB 4.11Å; K33-C286 HydrophobicContact CD-CB 3.59Å; K33-C286 HydrophobicContact CG-CB 3.54Å; K33-V290 HydrophobicContact CD-CG2 4.07Å |
| 34 | T | 67.5 | Low | 66.8 | Low | 62 Ų | 62 | 62.2 Ų | 62.2 | 38% | 0.38 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.2 | -37.3 | -178.6 | 51.3 | 0 | 0 | 0 | 0 | 112 | D30 L31 N38 | D30-T34 WeakPolarHBondContact O-CB 3.45Å; D30-T34 VanDerWaalsContact O-CG2 3.31Å; D30-T34 WeakPolarHBondContact O-CG2 3.49Å; D30-T34 PolarHBondContact O-N 3.08Å; D30-T34 PolarHBondContact O-OG1 3.45Å; L31-T34 WeakPolarHBondContact CA-OG1 3.46Å; L31-T34 PolarHBondContact O-N 2.71Å; L31-T34 PolarHBondContact O-OG1 2.92Å; T34-N38 WeakPolarHBondContact O-CB 3.38Å; T34-N38 PolarHBondContact O-N 3.49Å; T34-N38 VanDerWaalsContact O-N 3.07Å |
| 35 | R | 68.3 | Low | 66.5 | Low | 58 Ų | 58 | 60.9 Ų | 60.9 | 22% | 0.219 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.6 | -45 | 172.9 | -74.1 | -177.9 | -175.3 | -143.2 | -6.1 | 112.1 | L31 A32 K33 N38 Q39 Y45 T55 E59 | L31-R35 WeakPolarHBondContact O-CB 3.4Å; L31-R35 WeakPolarHBondContact O-CG 3.27Å; L31-R35 PolarHBondContact O-N 2.84Å; A32-R35 PolarHBondContact O-N 3.32Å; K33-R35 VanDerWaalsContact C-N 3.33Å; K33-R35 PolarHBondContact O-N 3.29Å; R35-N38 PolarHBondContact O-N 2.89Å; R35-Q39 WeakPolarHBondContact O-CG 3.44Å; R35-Y45 HydrophobicContact CB-CE2 4.02Å; R35-T55 PolarHBondContact NH1-OG1 3.16Å; R35-E59 IonicContact CZ-OE1 3.61Å; R35-E59 IonicContact CZ-OE2 2.67Å; R35-E59 IonicContact NH1-OE1 2.78Å; R35-E59 PolarHBondContact NH1-OE1 3Å; R35-E59 IonicContact NH2-OE1 3.64Å; R35-E59 PolarHBondContact NH2-OE1 2.77Å; R35-E59 IonicContact NH2-OE2 3.63Å; R35-E59 PolarHBondContact NH2-OE2 2.77Å |
| 36 | L | 69.3 | Low | 66.2 | Low | 47 Ų | 47 | 67.3 Ų | 67.3 | 25% | 0.246 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.9 | -38.7 | 178.8 | -167.6 | 71.8 | 0 | 0 | 0 | 112.2 | A32 K33 | A32-L36 VanDerWaalsContact O-CB 3.29Å; A32-L36 WeakPolarHBondContact O-CB 3.33Å; A32-L36 PolarHBondContact O-N 3.23Å; K33-L36 PolarHBondContact O-N 3.29Å |
| 37 | Q | 60 | Low | 66.1 | Low | 93 Ų | 93 | 68.3 Ų | 68.3 | 44% | 0.435 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -72.8 | -26.3 | 177.8 | -74.5 | -177.9 | -24.4 | 0 | 0 | 113.4 | K33 | K33-Q37 VanDerWaalsContact CE-NE2 3.26Å; K33-Q37 HydrophobicContact CG-CG 4.28Å; K33-Q37 WeakPolarHBondContact O-CB 3.44Å; K33-Q37 VanDerWaalsContact O-CG 3.27Å; K33-Q37 WeakPolarHBondContact O-CG 3.37Å; K33-Q37 PolarHBondContact O-N 3.43Å |
| 38 | N | 61.4 | Low | 66.1 | Low | 56 Ų | 56 | 69.3 Ų | 69.3 | 30% | 0.299 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 10.4 | -177.9 | -155.1 | 37.6 | 0 | 0 | 0 | 113.6 | T34 R35 H40 | T34-N38 WeakPolarHBondContact O-CB 3.38Å; T34-N38 PolarHBondContact O-N 3.49Å; T34-N38 VanDerWaalsContact O-N 3.07Å; R35-N38 PolarHBondContact O-N 2.89Å; N38-H40 PolarHBondContact O-N 2.96Å; N38-H40 PolarHBondContact O-ND1 3.46Å |
| 39 | Q | 59.5 | Low | 66.2 | Low | 47 Ų | 47 | 74.8 Ų | 74.8 | 22% | 0.22 | 40% | 0.396 | C | S | . | . | trans | -78.3 | 111.4 | 176.3 | -52.9 | -162.1 | -77.8 | 0 | 0 | 109.4 | R35 M44 Y45 | R35-Q39 WeakPolarHBondContact O-CG 3.44Å; Q39-M44 VanDerWaalsContact NE2-CB 3.29Å; Q39-Y45 HydrophobicContact CG-CD2 4.16Å; Q39-Y45 VanDerWaalsContact NE2-CE2 3.3Å; Q39-Y45 VanDerWaalsContact NE2-N 3.11Å | ||
| 40 | H | 46.5 | Very low | 66.4 | Low | 162 Ų | 162 | 75.2 Ų | 75.2 | 75% | 0.75 | 40% | 0.398 | S | S | * | . | trans | -104 | 124.1 | 170.8 | -60.5 | 104.5 | 0 | 0 | 0 | 108.6 | N38 | N38-H40 PolarHBondContact O-N 2.96Å; N38-H40 PolarHBondContact O-ND1 3.46Å | ||
| 41 | G | 58.6 | Low | 66.6 | Low | 76 Ų | 76 | 72.6 Ų | 72.6 | 78% | 0.784 | 38% | 0.384 | S | S | * | . | S | Bend | trans | 97.1 | -138.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | A43 | G41-A43 PolarHBondContact O-N 2.87Š|
| 42 | K | 44.8 | Very low | 67 | Low | 205 Ų | 205 | 73.4 Ų | 73.4 | 89% | 0.891 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -57.7 | 131.5 | -175.9 | -80.1 | -178.8 | 176.8 | 176.5 | 0 | 111 | M44 | K42-M44 PolarHBondContact O-N 2.98Š|
| 43 | A | 59.8 | Low | 67.4 | Low | 86 Ų | 86 | 79.6 Ų | 79.6 | 71% | 0.711 | 42% | 0.419 | S | S | * | . | trans | -62.1 | 90.9 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | G41 | G41-A43 PolarHBondContact O-N 2.87Š| ||
| 44 | M | 61.6 | Low | 67.8 | Low | 120 Ų | 120 | 82.3 Ų | 82.3 | 59% | 0.591 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -77.7 | -23.2 | -178.7 | 166.6 | -164 | 169.9 | 0 | 0 | 112 | Q39 K42 K54 | Q39-M44 VanDerWaalsContact NE2-CB 3.29Å; K42-M44 PolarHBondContact O-N 2.98Å; M44-K54 PolarHBondContact O-NZ 3.31Å; M44-K54 VanDerWaalsContact O-NZ 3.12Å |
| 45 | Y | 68.6 | Low | 68.4 | Low | 27 Ų | 27 | 79.5 Ų | 79.5 | 11% | 0.106 | 41% | 0.414 | C | S | . | . | trans | -118.4 | 130.3 | 169.9 | -55.1 | -58 | 0 | 0 | 0 | 109.9 | R35 Q39 G47 C51 K54 | R35-Y45 HydrophobicContact CB-CE2 4.02Å; Q39-Y45 HydrophobicContact CG-CD2 4.16Å; Q39-Y45 VanDerWaalsContact NE2-CE2 3.3Å; Q39-Y45 VanDerWaalsContact NE2-N 3.11Å; Y45-G47 VanDerWaalsContact C-N 3.29Å; Y45-C51 HydrophobicContact CD1-CB 3.82Å; Y45-C51 HydrophobicContact CD2-CB 3.97Å; Y45-C51 WeakPolarHBondContact CD2-SG 3.45Å; Y45-C51 HydrophobicContact CE1-CB 4.34Å; Y45-C51 VanDerWaalsContact CE2-SG 3.58Å; Y45-C51 HydrophobicContact CG-CB 3.65Å; Y45-K54 HydrophobicContact CD1-CD 3.88Å; Y45-K54 HydrophobicContact CE1-CB 4.21Å; Y45-K54 HydrophobicContact CE1-CD 4.03Å | ||
| 46 | K | 70.7 | Confident | 69 | Low | 200 Ų | 200 | 78.7 Ų | 78.7 | 87% | 0.87 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -79.1 | -15.4 | 176.1 | -71.6 | -177 | 176.7 | -179.4 | 0 | 112.8 | D50 | K46-D50 HydrophobicContact CB-CB 4.49Å; K46-D50 PolarHBondContact N-OD2 3.45Å |
| 47 | G | 73.7 | Confident | 69.6 | Low | 24 Ų | 24 | 87.3 Ų | 87.3 | 25% | 0.247 | 45% | 0.448 | C | S | . | . | S | Bend | trans | 177.4 | -178.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y45 D50 C51 | Y45-G47 VanDerWaalsContact C-N 3.29Å; G47-D50 PolarHBondContact O-N 2.91Å; G47-C51 WeakPolarHBondContact O-CB 3.31Å; G47-C51 PolarHBondContact O-N 3.33Å |
| 48 | M | 74.1 | Confident | 70.4 | Confident | 28 Ų | 28 | 87 Ų | 87 | 14% | 0.138 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -66.1 | -41.5 | -176.1 | -164.5 | 175.2 | -53.9 | 0 | 0 | 112.7 | I29 A32 C51 L52 C286 L289 | I29-M48 HydrophobicContact CG2-SD 3.79Å; A32-M48 HydrophobicContact CB-CG 3.76Å; M48-C51 WeakPolarHBondContact O-CB 3.18Å; M48-C51 PolarHBondContact O-N 2.87Å; M48-L52 HydrophobicContact CG-CD1 4.43Å; M48-L52 WeakPolarHBondContact O-CB 3.41Å; M48-L52 WeakPolarHBondContact O-CG 3.01Å; M48-L52 PolarHBondContact O-N 3.13Å; M48-C286 HydrophobicContact CE-CB 4.02Å; M48-L289 HydrophobicContact CE-CB 4.16Å; M48-L289 HydrophobicContact CE-CD1 3.33Å; M48-L289 HydrophobicContact CE-CG 4.38Å; M48-L289 HydrophobicContact SD-CB 4.4Å; M48-L289 HydrophobicContact SD-CD1 3.96Å |
| 49 | I | 79.1 | Confident | 71 | Confident | 131 Ų | 131 | 88.1 Ų | 88.1 | 67% | 0.672 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -67.3 | -41.8 | 178.3 | -59.4 | 172.9 | 0 | 0 | 0 | 110.5 | C51 L52 M53 | I49-C51 VanDerWaalsContact C-N 3.33Å; I49-C51 PolarHBondContact O-N 3.42Å; I49-L52 PolarHBondContact O-N 2.82Å; I49-M53 VanDerWaalsContact O-CB 3.27Å; I49-M53 WeakPolarHBondContact O-CB 3.43Å; I49-M53 PolarHBondContact O-N 2.97Å |
| 50 | D | 81.4 | Confident | 71.9 | Confident | 45 Ų | 45 | 87.4 Ų | 87.4 | 24% | 0.241 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -62.5 | -41 | 174.8 | -179.2 | 44.3 | 0 | 0 | 0 | 111.3 | K46 G47 K54 | K46-D50 HydrophobicContact CB-CB 4.49Å; K46-D50 PolarHBondContact N-OD2 3.45Å; G47-D50 PolarHBondContact O-N 2.91Å; D50-K54 VanDerWaalsContact O-CB 3.27Å; D50-K54 WeakPolarHBondContact O-CB 3.25Å; D50-K54 VanDerWaalsContact O-CG 3.31Å; D50-K54 WeakPolarHBondContact O-CG 3.39Å; D50-K54 PolarHBondContact O-N 3.29Å; D50-K54 WeakPolarHBondContact OD1-CD 3.5Å; D50-K54 WeakPolarHBondContact OD1-CE 3.39Å; D50-K54 IonicContact OD1-NZ 2.8Å; D50-K54 PolarHBondContact OD1-NZ 3.46Å; D50-K54 VanDerWaalsContact OD1-NZ 3.17Å; D50-K54 IonicContact OD2-NZ 3.17Å; D50-K54 PolarHBondContact OD2-NZ 3.14Å |
| 51 | C | 77 | Confident | 73.3 | Confident | 0 Ų | 0 | 86.3 Ų | 86.3 | 0% | 0 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -63.3 | -47.2 | 174.6 | -172.4 | 0 | 0 | 0 | 0 | 112.4 | Y45 G47 M48 I49 T55 | Y45-C51 HydrophobicContact CD1-CB 3.82Å; Y45-C51 HydrophobicContact CD2-CB 3.97Å; Y45-C51 WeakPolarHBondContact CD2-SG 3.45Å; Y45-C51 HydrophobicContact CE1-CB 4.34Å; Y45-C51 VanDerWaalsContact CE2-SG 3.58Å; Y45-C51 HydrophobicContact CG-CB 3.65Å; G47-C51 WeakPolarHBondContact O-CB 3.31Å; G47-C51 PolarHBondContact O-N 3.33Å; M48-C51 WeakPolarHBondContact O-CB 3.18Å; M48-C51 PolarHBondContact O-N 2.87Å; I49-C51 VanDerWaalsContact C-N 3.33Å; I49-C51 PolarHBondContact O-N 3.42Å; C51-T55 WeakPolarHBondContact O-CB 3.48Å; C51-T55 PolarHBondContact O-N 3.07Å; C51-T55 PolarHBondContact O-OG1 3.28Å |
| 52 | L | 79.7 | Confident | 73.9 | Confident | 41 Ų | 41 | 91.1 Ų | 91.1 | 22% | 0.215 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -61.1 | -48.1 | 177.2 | -78.5 | 168.3 | 0 | 0 | 0 | 111.3 | P28 A32 M48 I49 T55 A56 M64 | P28-L52 HydrophobicContact CB-CD2 4.25Å; P28-L52 WeakPolarHBondContact O-CD2 3.35Å; A32-L52 HydrophobicContact CB-CD1 4.31Å; A32-L52 HydrophobicContact CB-CD2 3.76Å; A32-L52 HydrophobicContact CB-CG 3.64Å; M48-L52 HydrophobicContact CG-CD1 4.43Å; M48-L52 WeakPolarHBondContact O-CB 3.41Å; M48-L52 WeakPolarHBondContact O-CG 3.01Å; M48-L52 PolarHBondContact O-N 3.13Å; I49-L52 PolarHBondContact O-N 2.82Å; L52-T55 PolarHBondContact O-N 3.48Å; L52-A56 VanDerWaalsContact O-CB 3.31Å; L52-A56 WeakPolarHBondContact O-CB 3.42Å; L52-A56 PolarHBondContact O-N 3.05Å; L52-M64 HydrophobicContact CD2-CE 3.86Å |
| 53 | M | 81.4 | Confident | 75 | Confident | 131 Ų | 131 | 81.8 Ų | 81.8 | 65% | 0.645 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -67 | -42.8 | -177 | -167.5 | 177.8 | -80.4 | 0 | 0 | 111.7 | I49 A56 R57 | I49-M53 VanDerWaalsContact O-CB 3.27Å; I49-M53 WeakPolarHBondContact O-CB 3.43Å; I49-M53 PolarHBondContact O-N 2.97Å; M53-A56 PolarHBondContact O-N 3.05Å; M53-R57 WeakPolarHBondContact O-CB 3.38Å; M53-R57 PolarHBondContact O-N 2.88Å |
| 54 | K | 81.9 | Confident | 75.5 | Confident | 90 Ų | 90 | 78.7 Ų | 78.7 | 39% | 0.391 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.1 | -40.8 | 173.7 | -77 | 170.1 | 173.7 | 163.1 | 0 | 112.1 | M44 Y45 D50 R57 A58 | M44-K54 PolarHBondContact O-NZ 3.31Å; M44-K54 VanDerWaalsContact O-NZ 3.12Å; Y45-K54 HydrophobicContact CD1-CD 3.88Å; Y45-K54 HydrophobicContact CE1-CB 4.21Å; Y45-K54 HydrophobicContact CE1-CD 4.03Å; D50-K54 VanDerWaalsContact O-CB 3.27Å; D50-K54 WeakPolarHBondContact O-CB 3.25Å; D50-K54 VanDerWaalsContact O-CG 3.31Å; D50-K54 WeakPolarHBondContact O-CG 3.39Å; D50-K54 PolarHBondContact O-N 3.29Å; D50-K54 WeakPolarHBondContact OD1-CD 3.5Å; D50-K54 WeakPolarHBondContact OD1-CE 3.39Å; D50-K54 IonicContact OD1-NZ 2.8Å; D50-K54 PolarHBondContact OD1-NZ 3.46Å; D50-K54 VanDerWaalsContact OD1-NZ 3.17Å; D50-K54 IonicContact OD2-NZ 3.17Å; D50-K54 PolarHBondContact OD2-NZ 3.14Å; K54-R57 PolarHBondContact O-N 3.42Å; K54-A58 VanDerWaalsContact O-CB 3.24Å; K54-A58 WeakPolarHBondContact O-CB 3.37Å; K54-A58 PolarHBondContact O-N 2.91Å |
| 55 | T | 78.4 | Confident | 76 | Confident | 3 Ų | 3 | 76.1 Ų | 76.1 | 2% | 0.018 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.8 | -45.1 | 177.6 | -60.4 | 0 | 0 | 0 | 0 | 111.2 | L31 R35 C51 L52 R57 A58 E59 M64 | L31-T55 HydrophobicContact CD2-CG2 3.97Å; R35-T55 PolarHBondContact NH1-OG1 3.16Å; C51-T55 WeakPolarHBondContact O-CB 3.48Å; C51-T55 PolarHBondContact O-N 3.07Å; C51-T55 PolarHBondContact O-OG1 3.28Å; L52-T55 PolarHBondContact O-N 3.48Å; T55-R57 VanDerWaalsContact C-N 3.27Å; T55-R57 PolarHBondContact O-N 2.91Å; T55-A58 PolarHBondContact O-N 3.43Å; T55-E59 PolarHBondContact O-N 3.07Å; T55-M64 HydrophobicContact CG2-CG 3.91Å |
| 56 | A | 81.1 | Confident | 75.7 | Confident | 40 Ų | 40 | 84.6 Ų | 84.6 | 33% | 0.331 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.6 | -38.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L52 M53 G60 M64 | L52-A56 VanDerWaalsContact O-CB 3.31Å; L52-A56 WeakPolarHBondContact O-CB 3.42Å; L52-A56 PolarHBondContact O-N 3.05Å; M53-A56 PolarHBondContact O-N 3.05Å; A56-G60 WeakPolarHBondContact O-CA 3.33Å; A56-G60 PolarHBondContact O-N 3.38Å; A56-M64 HydrophobicContact CB-SD 3.79Å |
| 57 | R | 81.8 | Confident | 75.4 | Confident | 229 Ų | 229 | 77.2 Ų | 77.2 | 86% | 0.864 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -73.2 | -34.2 | 177.7 | -161.1 | 178.2 | -140.5 | 163.5 | 5.8 | 113.2 | M53 K54 T55 | M53-R57 WeakPolarHBondContact O-CB 3.38Å; M53-R57 PolarHBondContact O-N 2.88Å; K54-R57 PolarHBondContact O-N 3.42Å; T55-R57 VanDerWaalsContact C-N 3.27Å; T55-R57 PolarHBondContact O-N 2.91Å |
| 58 | A | 77.8 | Confident | 75 | Confident | 85 Ų | 85 | 76.6 Ų | 76.6 | 70% | 0.702 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -86 | -39.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | K54 T55 | K54-A58 VanDerWaalsContact O-CB 3.24Å; K54-A58 WeakPolarHBondContact O-CB 3.37Å; K54-A58 PolarHBondContact O-N 2.91Å; T55-A58 PolarHBondContact O-N 3.43Å |
| 59 | E | 74.2 | Confident | 74.6 | Confident | 81 Ų | 81 | 78.6 Ų | 78.6 | 38% | 0.379 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -113.8 | -6.4 | -172.9 | -62.9 | 173 | -142.6 | 0 | 0 | 113.1 | R35 T55 G63 | R35-E59 IonicContact CZ-OE1 3.61Å; R35-E59 IonicContact CZ-OE2 2.67Å; R35-E59 IonicContact NH1-OE1 2.78Å; R35-E59 PolarHBondContact NH1-OE1 3Å; R35-E59 IonicContact NH2-OE1 3.64Å; R35-E59 PolarHBondContact NH2-OE1 2.77Å; R35-E59 IonicContact NH2-OE2 3.63Å; R35-E59 PolarHBondContact NH2-OE2 2.77Å; T55-E59 PolarHBondContact O-N 3.07Å; E59-G63 VanDerWaalsContact O-CA 3.32Å; E59-G63 WeakPolarHBondContact O-CA 3.39Å; E59-G63 PolarHBondContact O-N 3.34Å |
| 60 | G | 78.4 | Confident | 73.9 | Confident | 31 Ų | 31 | 75.1 Ų | 75.1 | 32% | 0.32 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | 77.4 | 173.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | A56 F62 G63 M64 | A56-G60 WeakPolarHBondContact O-CA 3.33Å; A56-G60 PolarHBondContact O-N 3.38Å; G60-F62 PolarHBondContact O-N 2.95Å; G60-G63 WeakPolarHBondContact O-CA 3.34Å; G60-G63 PolarHBondContact O-N 2.9Å; G60-M64 PolarHBondContact O-N 2.97Å |
| 61 | F | 74.8 | Confident | 73.1 | Confident | 140 Ų | 140 | 74.2 Ų | 74.2 | 61% | 0.614 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -60.1 | -42.5 | 179.6 | -177.8 | -100.9 | 0 | 0 | 0 | 112.7 | G63 M64 Y65 | F61-G63 VanDerWaalsContact C-N 3.29Å; F61-G63 PolarHBondContact O-N 3.29Å; F61-M64 PolarHBondContact O-N 3.33Å; F61-Y65 HydrophobicContact CE1-CE2 4.25Å; F61-Y65 HydrophobicContact CZ-CE2 4.13Å |
| 62 | F | 72.3 | Confident | 72.7 | Confident | 176 Ų | 176 | 76.5 Ų | 76.5 | 77% | 0.772 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -71.9 | -22.9 | 175 | -76.1 | -79.3 | 0 | 0 | 0 | 113.2 | G60 M64 Y65 R66 | G60-F62 PolarHBondContact O-N 2.95Å; F62-M64 VanDerWaalsContact C-N 3.3Å; F62-M64 PolarHBondContact O-N 3.44Å; F62-Y65 PolarHBondContact O-N 3.42Å; F62-Y65 VanDerWaalsContact O-N 3.13Å; F62-R66 PolarHBondContact O-N 3.26Å |
| 63 | G | 66.2 | Low | 72.1 | Confident | 9 Ų | 9 | 79.5 Ų | 79.5 | 9% | 0.093 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -62.5 | -35.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | E59 G60 F61 Y65 R66 | E59-G63 VanDerWaalsContact O-CA 3.32Å; E59-G63 WeakPolarHBondContact O-CA 3.39Å; E59-G63 PolarHBondContact O-N 3.34Å; G60-G63 WeakPolarHBondContact O-CA 3.34Å; G60-G63 PolarHBondContact O-N 2.9Å; F61-G63 VanDerWaalsContact C-N 3.29Å; F61-G63 PolarHBondContact O-N 3.29Å; G63-Y65 PolarHBondContact O-N 3.34Å; G63-Y65 VanDerWaalsContact O-N 3.13Å; G63-R66 WeakPolarHBondContact O-CB 3.2Å; G63-R66 PolarHBondContact O-N 2.81Å |
| 64 | M | 71.3 | Confident | 71.3 | Confident | 21 Ų | 21 | 75 Ų | 75 | 10% | 0.103 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -17.3 | 174.3 | -79.5 | 167.7 | 52 | 0 | 0 | 114 | F27 P28 L31 L52 T55 A56 G60 F61 F62 | F27-M64 VanDerWaalsContact CD1-O 3.29Å; F27-M64 WeakPolarHBondContact CD1-O 3.31Å; F27-M64 WeakPolarHBondContact CE1-O 3.41Å; P28-M64 HydrophobicContact CB-CE 3.56Å; P28-M64 HydrophobicContact CG-CE 3.96Å; L31-M64 HydrophobicContact CD2-CG 4.45Å; L52-M64 HydrophobicContact CD2-CE 3.86Å; T55-M64 HydrophobicContact CG2-CG 3.91Å; A56-M64 HydrophobicContact CB-SD 3.79Å; G60-M64 PolarHBondContact O-N 2.97Å; F61-M64 PolarHBondContact O-N 3.33Å; F62-M64 VanDerWaalsContact C-N 3.3Å; F62-M64 PolarHBondContact O-N 3.44Å |
| 65 | Y | 71.6 | Confident | 70.4 | Confident | 67 Ų | 67 | 71.1 Ų | 71.1 | 26% | 0.263 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 5.4 | 175.2 | -69.5 | -84 | 0 | 0 | 0 | 112.9 | T24 F27 P28 F61 F62 G63 G67 A68 | T24-Y65 HydrophobicContact CG2-CE1 4.1Å; T24-Y65 WeakPolarHBondContact O-CE1 3.38Å; T24-Y65 PolarHBondContact O-OH 2.98Å; F27-Y65 HydrophobicContact CB-CE1 4.34Å; F27-Y65 AromaticContact CD1-CD1 3.85Å; F27-Y65 HydrophobicContact CD1-CD1 3.85Å; F27-Y65 HydrophobicContact CD1-CE1 4.36Å; F27-Y65 HydrophobicContact CD1-CG 4.47Å; F27-Y65 HydrophobicContact CG-CD1 4.43Å; P28-Y65 HydrophobicContact CG-CE1 4.26Å; P28-Y65 HydrophobicContact CG-CE2 4.4Å; F61-Y65 HydrophobicContact CE1-CE2 4.25Å; F61-Y65 HydrophobicContact CZ-CE2 4.13Å; F62-Y65 PolarHBondContact O-N 3.42Å; F62-Y65 VanDerWaalsContact O-N 3.13Å; G63-Y65 PolarHBondContact O-N 3.34Å; G63-Y65 VanDerWaalsContact O-N 3.13Å; Y65-G67 PolarHBondContact O-N 3.39Å; Y65-G67 VanDerWaalsContact O-N 3.14Å; Y65-A68 HydrophobicContact CD1-CB 4.21Å; Y65-A68 WeakPolarHBondContact O-CB 3.28Å; Y65-A68 PolarHBondContact O-N 3.4Å |
| 66 | R | 63 | Low | 69.8 | Low | 205 Ų | 205 | 73 Ų | 73 | 77% | 0.774 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | 114.6 | 178.9 | -164.1 | 173.4 | -179.2 | 146.7 | -0.8 | 109.5 | F62 G63 | F62-R66 PolarHBondContact O-N 3.26Å; G63-R66 WeakPolarHBondContact O-CB 3.2Å; G63-R66 PolarHBondContact O-N 2.81Å |
| 67 | G | 63.5 | Low | 69.2 | Low | 44 Ų | 44 | 73.7 Ų | 73.7 | 45% | 0.454 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.4 | -4.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y65 A69 V70 | Y65-G67 PolarHBondContact O-N 3.39Å; Y65-G67 VanDerWaalsContact O-N 3.14Å; G67-A69 PolarHBondContact O-N 2.74Å; G67-V70 PolarHBondContact O-N 2.72Å |
| 68 | A | 67 | Low | 68.4 | Low | 11 Ų | 11 | 63.1 Ų | 63.1 | 9% | 0.091 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.5 | -33.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F27 Y65 V70 N71 L72 | F27-A68 HydrophobicContact CD1-CB 3.91Å; F27-A68 HydrophobicContact CD2-CB 3.96Å; F27-A68 HydrophobicContact CE1-CB 3.7Å; F27-A68 HydrophobicContact CE2-CB 3.75Å; F27-A68 HydrophobicContact CG-CB 4.05Å; F27-A68 HydrophobicContact CZ-CB 3.62Å; Y65-A68 HydrophobicContact CD1-CB 4.21Å; Y65-A68 WeakPolarHBondContact O-CB 3.28Å; Y65-A68 PolarHBondContact O-N 3.4Å; A68-V70 VanDerWaalsContact C-N 3.31Å; A68-V70 PolarHBondContact O-N 3.32Å; A68-N71 CarbonylContact O-C 3.55Å; A68-N71 PolarHBondContact O-N 3.14Å; A68-N71 VanDerWaalsContact O-N 3.14Å; A68-L72 HydrophobicContact CB-CD1 4.22Å; A68-L72 WeakPolarHBondContact O-CB 3.47Å; A68-L72 WeakPolarHBondContact O-CD1 3.32Å; A68-L72 PolarHBondContact O-N 2.82Å |
| 69 | A | 65.2 | Low | 67.8 | Low | 70 Ų | 70 | 62 Ų | 62 | 58% | 0.579 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -55.6 | -44.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G67 L72 T73 | G67-A69 PolarHBondContact O-N 2.74Å; A69-L72 PolarHBondContact O-N 3.49Å; A69-T73 WeakPolarHBondContact O-CB 2.97Å; A69-T73 PolarHBondContact O-N 2.86Å; A69-T73 PolarHBondContact O-OG1 3.47Å |
| 70 | V | 63.8 | Low | 67.4 | Low | 58 Ų | 58 | 59.4 Ų | 59.4 | 35% | 0.352 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.7 | -42.9 | 178.6 | 172 | 0 | 0 | 0 | 0 | 111.1 | G67 A68 L74 L130 | G67-V70 PolarHBondContact O-N 2.72Å; A68-V70 VanDerWaalsContact C-N 3.31Å; A68-V70 PolarHBondContact O-N 3.32Å; V70-L74 HydrophobicContact CG1-CD1 4.01Å; V70-L74 WeakPolarHBondContact O-CB 3.25Å; V70-L74 WeakPolarHBondContact O-CG 3.47Å; V70-L74 PolarHBondContact O-N 2.92Å; V70-L74 VanDerWaalsContact O-N 3.17Å; V70-L130 HydrophobicContact CB-CD2 4.5Å; V70-L130 HydrophobicContact CG1-CD1 4.44Å; V70-L130 HydrophobicContact CG1-CD2 3.36Å; V70-L130 HydrophobicContact CG1-CG 4.44Å; V70-L130 HydrophobicContact CG2-CD2 4.35Å |
| 71 | N | 65.6 | Low | 67 | Low | 27 Ų | 27 | 60.1 Ų | 60.1 | 14% | 0.144 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.1 | -44.1 | 175.9 | -90.8 | -16.6 | 0 | 0 | 0 | 111.3 | F27 A68 L74 V75 Q131 | F27-N71 HydrophobicContact CD2-CB 4.23Å; F27-N71 HydrophobicContact CE2-CB 3.93Å; F27-N71 WeakPolarHBondContact CE2-ND2 3.49Å; A68-N71 CarbonylContact O-C 3.55Å; A68-N71 PolarHBondContact O-N 3.14Å; A68-N71 VanDerWaalsContact O-N 3.14Å; N71-L74 PolarHBondContact O-N 3.31Å; N71-V75 WeakPolarHBondContact O-CA 3.49Å; N71-V75 WeakPolarHBondContact O-CB 3.25Å; N71-V75 WeakPolarHBondContact O-CG2 3.3Å; N71-V75 PolarHBondContact O-N 2.91Å; N71-Q131 PolarHBondContact OD1-NE2 3.4Å |
| 72 | L | 67.3 | Low | 66.7 | Low | 47 Ų | 47 | 54.8 Ų | 54.8 | 25% | 0.246 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.6 | -49.1 | 176.9 | -99.2 | 79.4 | 0 | 0 | 0 | 111.6 | L20 V23 A68 A69 L74 T76 | L20-L72 HydrophobicContact CD1-CD2 3.48Å; L20-L72 VanDerWaalsContact CD1-CD2 3.48Å; L20-L72 HydrophobicContact CD1-CG 3.88Å; V23-L72 HydrophobicContact CG1-CD1 3.74Å; V23-L72 HydrophobicContact CG1-CG 4.39Å; A68-L72 HydrophobicContact CB-CD1 4.22Å; A68-L72 WeakPolarHBondContact O-CB 3.47Å; A68-L72 WeakPolarHBondContact O-CD1 3.32Å; A68-L72 PolarHBondContact O-N 2.82Å; A69-L72 PolarHBondContact O-N 3.49Å; L72-L74 VanDerWaalsContact C-N 3.26Å; L72-L74 PolarHBondContact O-N 3.39Å; L72-T76 VanDerWaalsContact O-CB 3.22Å; L72-T76 WeakPolarHBondContact O-CB 3.4Å; L72-T76 PolarHBondContact O-N 2.87Å; L72-T76 PolarHBondContact O-OG1 3.17Å |
| 73 | T | 66.9 | Low | 66.3 | Low | 104 Ų | 104 | 47.4 Ų | 47.4 | 64% | 0.638 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -63.1 | -32 | -177.8 | -58.1 | 0 | 0 | 0 | 0 | 112.5 | A69 P77 | A69-T73 WeakPolarHBondContact O-CB 2.97Å; A69-T73 PolarHBondContact O-N 2.86Å; A69-T73 PolarHBondContact O-OG1 3.47Å; T73-P77 WeakPolarHBondContact O-CD 3.28Å; T73-P77 VanDerWaalsContact O-CG 3.3Å; T73-P77 WeakPolarHBondContact O-CG 3.38Å |
| 74 | L | 64.6 | Low | 66.3 | Low | 38 Ų | 38 | 48.8 Ų | 48.8 | 20% | 0.199 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -93.5 | -32.9 | -179.9 | -66.1 | 174.4 | 0 | 0 | 0 | 113.5 | V70 N71 L72 K127 L130 | V70-L74 HydrophobicContact CG1-CD1 4.01Å; V70-L74 WeakPolarHBondContact O-CB 3.25Å; V70-L74 WeakPolarHBondContact O-CG 3.47Å; V70-L74 PolarHBondContact O-N 2.92Å; V70-L74 VanDerWaalsContact O-N 3.17Å; N71-L74 PolarHBondContact O-N 3.31Å; L72-L74 VanDerWaalsContact C-N 3.26Å; L72-L74 PolarHBondContact O-N 3.39Å; L74-K127 HydrophobicContact CD1-CB 4.34Å; L74-K127 HydrophobicContact CD1-CG 4.43Å; L74-L130 HydrophobicContact CD1-CD1 4.18Å |
| 75 | V | 64.8 | Low | 66.1 | Low | 7 Ų | 7 | 48.5 Ų | 48.5 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -83.2 | -33.4 | -176.6 | 179.7 | 0 | 0 | 0 | 0 | 111.6 | V23 N71 E78 K79 K127 | V23-V75 HydrophobicContact CG2-CB 4.3Å; V23-V75 HydrophobicContact CG2-CG1 3.52Å; N71-V75 WeakPolarHBondContact O-CA 3.49Å; N71-V75 WeakPolarHBondContact O-CB 3.25Å; N71-V75 WeakPolarHBondContact O-CG2 3.3Å; N71-V75 PolarHBondContact O-N 2.91Å; V75-E78 WeakPolarHBondContact O-CB 3.16Å; V75-E78 PolarHBondContact O-N 2.85Å; V75-K79 HydrophobicContact CG1-CD 4.4Å; V75-K79 HydrophobicContact CG1-CG 3.77Å; V75-K79 WeakPolarHBondContact O-CG 3.47Å; V75-K79 PolarHBondContact O-N 3.15Å; V75-K127 HydrophobicContact CG2-CD 4.2Å |
| 76 | T | 65.3 | Low | 65.8 | Low | 43 Ų | 43 | 47.6 Ų | 47.6 | 26% | 0.264 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.3 | -47.5 | 179.3 | -59.7 | 0 | 0 | 0 | 0 | 112.1 | L72 E78 K79 A80 | L72-T76 VanDerWaalsContact O-CB 3.22Å; L72-T76 WeakPolarHBondContact O-CB 3.4Å; L72-T76 PolarHBondContact O-N 2.87Å; L72-T76 PolarHBondContact O-OG1 3.17Å; T76-E78 VanDerWaalsContact C-N 3.35Å; T76-E78 PolarHBondContact O-N 2.91Å; T76-K79 PolarHBondContact O-N 3.11Å; T76-A80 WeakPolarHBondContact O-CB 3.45Å; T76-A80 PolarHBondContact O-N 3.33Å |
| 77 | P | 67 | Low | 65.9 | Low | 54 Ų | 54 | 39.4 Ų | 39.4 | 35% | 0.351 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.8 | -41.2 | 172.3 | -22.1 | 33.9 | 0 | 0 | 0 | 112.5 | T73 K79 A80 I81 | T73-P77 WeakPolarHBondContact O-CD 3.28Å; T73-P77 VanDerWaalsContact O-CG 3.3Å; T73-P77 WeakPolarHBondContact O-CG 3.38Å; P77-K79 PolarHBondContact O-N 3.02Å; P77-A80 PolarHBondContact O-N 3.25Å; P77-I81 WeakPolarHBondContact O-CB 3.28Å; P77-I81 WeakPolarHBondContact O-CD1 3.35Å; P77-I81 VanDerWaalsContact O-CG1 3.22Å; P77-I81 WeakPolarHBondContact O-CG1 3.32Å; P77-I81 PolarHBondContact O-N 3.33Å |
| 78 | E | 65.8 | Low | 66 | Low | 7 Ų | 7 | 43.3 Ų | 43.3 | 3% | 0.033 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.5 | -48.5 | 176.7 | -173.7 | -150 | 127.5 | 0 | 0 | 111 | V75 T76 K82 K127 | V75-E78 WeakPolarHBondContact O-CB 3.16Å; V75-E78 PolarHBondContact O-N 2.85Å; T76-E78 VanDerWaalsContact C-N 3.35Å; T76-E78 PolarHBondContact O-N 2.91Å; E78-K82 HydrophobicContact CG-CD 4.29Å; E78-K82 WeakPolarHBondContact O-CB 3.18Å; E78-K82 WeakPolarHBondContact O-CG 3.33Å; E78-K82 PolarHBondContact O-N 3.4Å; E78-K82 WeakPolarHBondContact OE1-CE 3.2Å; E78-K82 IonicContact OE1-NZ 3.62Å; E78-K82 PolarHBondContact OE1-NZ 3.1Å; E78-K127 IonicContact OE2-NZ 2.8Å |
| 79 | K | 65.9 | Low | 65.8 | Low | 61 Ų | 61 | 45 Ų | 45 | 27% | 0.265 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -71.3 | -38 | -179.3 | -63.7 | -53.7 | 179.8 | -142.9 | 0 | 112.7 | V75 T76 P77 K82 L83 | V75-K79 HydrophobicContact CG1-CD 4.4Å; V75-K79 HydrophobicContact CG1-CG 3.77Å; V75-K79 WeakPolarHBondContact O-CG 3.47Å; V75-K79 PolarHBondContact O-N 3.15Å; T76-K79 PolarHBondContact O-N 3.11Å; P77-K79 PolarHBondContact O-N 3.02Å; K79-K82 HydrophobicContact CD-CD 4.39Å; K79-K82 PolarHBondContact O-N 3.35Å; K79-L83 WeakPolarHBondContact O-CB 3.45Å; K79-L83 PolarHBondContact O-N 2.91Å |
| 80 | A | 65.6 | Low | 65.5 | Low | 27 Ų | 27 | 47.3 Ų | 47.3 | 22% | 0.223 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | T76 P77 L83 A84 | T76-A80 WeakPolarHBondContact O-CB 3.45Å; T76-A80 PolarHBondContact O-N 3.33Å; P77-A80 PolarHBondContact O-N 3.25Å; A80-L83 PolarHBondContact O-N 2.96Å; A80-A84 WeakPolarHBondContact O-CB 3.18Å; A80-A84 PolarHBondContact O-N 3.39Å |
| 81 | I | 69.4 | Low | 65.5 | Low | 46 Ų | 46 | 48.4 Ų | 48.4 | 24% | 0.236 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.4 | -42 | 176.4 | -69.5 | 166.6 | 0 | 0 | 0 | 111 | P77 L83 A84 A85 V119 T120 M123 | P77-I81 WeakPolarHBondContact O-CB 3.28Å; P77-I81 WeakPolarHBondContact O-CD1 3.35Å; P77-I81 VanDerWaalsContact O-CG1 3.22Å; P77-I81 WeakPolarHBondContact O-CG1 3.32Å; P77-I81 PolarHBondContact O-N 3.33Å; I81-L83 VanDerWaalsContact C-N 3.29Å; I81-L83 PolarHBondContact O-N 3.07Å; I81-A84 PolarHBondContact O-N 3.33Å; I81-A85 VanDerWaalsContact O-CB 3.3Å; I81-A85 WeakPolarHBondContact O-CB 3.49Å; I81-A85 PolarHBondContact O-N 3.3Å; I81-V119 HydrophobicContact CG2-CB 4.3Å; I81-V119 HydrophobicContact CG2-CG1 3.55Å; I81-T120 HydrophobicContact CB-CG2 4.48Å; I81-T120 HydrophobicContact CG2-CG2 3.88Å; I81-M123 HydrophobicContact CD1-CE 3.44Å; I81-M123 VanDerWaalsContact CD1-CE 3.44Å; I81-M123 HydrophobicContact CD1-SD 3.73Å |
| 82 | K | 67.9 | Low | 65.3 | Low | 28 Ų | 28 | 51 Ų | 51 | 12% | 0.122 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.1 | -43.7 | 176.5 | -76 | 179.2 | 175.9 | -178 | 0 | 111.6 | E78 K79 N86 Q116 T120 E124 | E78-K82 HydrophobicContact CG-CD 4.29Å; E78-K82 WeakPolarHBondContact O-CB 3.18Å; E78-K82 WeakPolarHBondContact O-CG 3.33Å; E78-K82 PolarHBondContact O-N 3.4Å; E78-K82 WeakPolarHBondContact OE1-CE 3.2Å; E78-K82 IonicContact OE1-NZ 3.62Å; E78-K82 PolarHBondContact OE1-NZ 3.1Å; K79-K82 HydrophobicContact CD-CD 4.39Å; K79-K82 PolarHBondContact O-N 3.35Å; K82-N86 WeakPolarHBondContact O-CB 3.45Å; K82-N86 PolarHBondContact O-N 3.43Å; K82-Q116 HydrophobicContact CB-CG 4.3Å; K82-Q116 HydrophobicContact CD-CG 4.43Å; K82-Q116 HydrophobicContact CG-CG 3.63Å; K82-T120 HydrophobicContact CG-CG2 4.04Å; K82-E124 IonicContact NZ-OE1 3.87Å; K82-E124 PolarHBondContact NZ-OE1 3.48Å |
| 83 | L | 65.1 | Low | 64.8 | Low | 22 Ų | 22 | 51.4 Ų | 51.4 | 12% | 0.115 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.2 | -42.9 | 179.8 | -163.5 | 129.2 | 0 | 0 | 0 | 112 | K11 K79 A80 I81 A85 N86 D87 Y302 | K11-L83 WeakPolarHBondContact O-CD2 3.27Å; K79-L83 WeakPolarHBondContact O-CB 3.45Å; K79-L83 PolarHBondContact O-N 2.91Å; A80-L83 PolarHBondContact O-N 2.96Å; I81-L83 VanDerWaalsContact C-N 3.29Å; I81-L83 PolarHBondContact O-N 3.07Å; L83-A85 PolarHBondContact O-N 3.02Å; L83-N86 PolarHBondContact O-N 3.02Å; L83-D87 WeakPolarHBondContact O-CB 3.19Å; L83-D87 PolarHBondContact O-N 3.22Å; L83-Y302 WeakPolarHBondContact CD1-OH 3.48Å |
| 84 | A | 65.9 | Low | 64.1 | Low | 38 Ų | 38 | 53.2 Ų | 53.2 | 31% | 0.314 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.2 | -45.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L12 A80 I81 D87 F88 | L12-A84 HydrophobicContact CD2-CB 3.73Å; A80-A84 WeakPolarHBondContact O-CB 3.18Å; A80-A84 PolarHBondContact O-N 3.39Å; I81-A84 PolarHBondContact O-N 3.33Å; A84-D87 PolarHBondContact O-N 3.32Å; A84-F88 WeakPolarHBondContact O-CB 3.41Å; A84-F88 PolarHBondContact O-N 3.32Å |
| 85 | A | 66.8 | Low | 63.5 | Low | 15 Ų | 15 | 59.2 Ų | 59.2 | 12% | 0.124 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65 | -44 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I81 L83 D87 F88 F89 Q116 | I81-A85 VanDerWaalsContact O-CB 3.3Å; I81-A85 WeakPolarHBondContact O-CB 3.49Å; I81-A85 PolarHBondContact O-N 3.3Å; L83-A85 PolarHBondContact O-N 3.02Å; A85-D87 VanDerWaalsContact C-N 3.32Å; A85-D87 PolarHBondContact O-N 3.2Å; A85-F88 PolarHBondContact O-N 3.33Å; A85-F89 WeakPolarHBondContact O-CD2 3.3Å; A85-F89 PolarHBondContact O-N 2.92Å; A85-Q116 HydrophobicContact CB-CB 4.49Å |
| 86 | N | 65.8 | Low | 62.7 | Low | 48 Ų | 48 | 64.6 Ų | 64.6 | 26% | 0.257 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.1 | -39.5 | 176.7 | 179.9 | 66.7 | 0 | 0 | 0 | 112.2 | K82 L83 R90 | K82-N86 WeakPolarHBondContact O-CB 3.45Å; K82-N86 PolarHBondContact O-N 3.43Å; L83-N86 PolarHBondContact O-N 3.02Å; N86-R90 WeakPolarHBondContact O-CB 3.39Å; N86-R90 WeakPolarHBondContact O-CG 3.17Å; N86-R90 PolarHBondContact O-N 3.23Å |
| 87 | D | 64.4 | Low | 61.9 | Low | 32 Ų | 32 | 66.1 Ų | 66.1 | 17% | 0.171 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -70.3 | -41.5 | 177.9 | -78.8 | -7.9 | 0 | 0 | 0 | 112.3 | L83 A84 A85 F89 R90 Q91 | L83-D87 WeakPolarHBondContact O-CB 3.19Å; L83-D87 PolarHBondContact O-N 3.22Å; A84-D87 PolarHBondContact O-N 3.32Å; A85-D87 VanDerWaalsContact C-N 3.32Å; A85-D87 PolarHBondContact O-N 3.2Å; D87-F89 VanDerWaalsContact C-N 3.35Å; D87-F89 PolarHBondContact O-N 2.97Å; D87-R90 PolarHBondContact O-N 2.85Å; D87-Q91 WeakPolarHBondContact O-CG 3.17Å; D87-Q91 PolarHBondContact O-N 3.04Å |
| 88 | F | 66.8 | Low | 60.8 | Low | 127 Ų | 127 | 69.4 Ų | 69.4 | 56% | 0.557 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -57.5 | -47.8 | 174.5 | -177.9 | -104 | 0 | 0 | 0 | 111.4 | A84 A85 Q91 L92 | A84-F88 WeakPolarHBondContact O-CB 3.41Å; A84-F88 PolarHBondContact O-N 3.32Å; A85-F88 PolarHBondContact O-N 3.33Å; F88-Q91 PolarHBondContact O-N 3.23Å; F88-L92 HydrophobicContact CD1-CD1 3.61Å; F88-L92 HydrophobicContact CE1-CD1 3.26Å; F88-L92 HydrophobicContact CE2-CD1 4.29Å; F88-L92 HydrophobicContact CG-CD1 4.26Å; F88-L92 HydrophobicContact CZ-CD1 3.65Å; F88-L92 PolarHBondContact O-N 3.01Å; F88-L92 VanDerWaalsContact O-N 3.12Å |
| 89 | F | 62.3 | Low | 59.8 | Low | 47 Ų | 47 | 76.8 Ų | 76.8 | 21% | 0.206 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -69.2 | -38.1 | 177.4 | -87.3 | -88.3 | 0 | 0 | 0 | 112.7 | A85 D87 Q91 L92 L93 A112 C115 | A85-F89 WeakPolarHBondContact O-CD2 3.3Å; A85-F89 PolarHBondContact O-N 2.92Å; D87-F89 VanDerWaalsContact C-N 3.35Å; D87-F89 PolarHBondContact O-N 2.97Å; F89-Q91 VanDerWaalsContact C-N 3.25Å; F89-Q91 PolarHBondContact O-N 3.4Å; F89-L92 PolarHBondContact O-N 2.93Å; F89-L93 HydrophobicContact CB-CD1 4.31Å; F89-L93 HydrophobicContact CD1-CD1 4.33Å; F89-L93 WeakPolarHBondContact O-CB 3.02Å; F89-L93 WeakPolarHBondContact O-CD1 2.98Å; F89-L93 PolarHBondContact O-N 2.89Å; F89-A112 HydrophobicContact CB-CB 3.76Å; F89-A112 HydrophobicContact CD2-CB 4.46Å; F89-A112 HydrophobicContact CG-CB 4.04Å; F89-C115 HydrophobicContact CD2-CB 4.21Å; F89-C115 HydrophobicContact CE2-CB 3.23Å; F89-C115 WeakPolarHBondContact CE2-SG 3.46Å; F89-C115 HydrophobicContact CZ-CB 3.43Å; F89-C115 VanDerWaalsContact CZ-CB 3.43Å |
| 90 | R | 58.6 | Low | 59.3 | Low | 117 Ų | 117 | 85.6 Ų | 85.6 | 44% | 0.442 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.4 | -36.7 | 174.1 | -83.3 | -179.7 | 171.4 | -138.9 | -7.1 | 112.1 | N86 D87 L93 M94 | N86-R90 WeakPolarHBondContact O-CB 3.39Å; N86-R90 WeakPolarHBondContact O-CG 3.17Å; N86-R90 PolarHBondContact O-N 3.23Å; D87-R90 PolarHBondContact O-N 2.85Å; R90-L93 PolarHBondContact O-N 3.35Å; R90-M94 VanDerWaalsContact O-CB 3.22Å; R90-M94 WeakPolarHBondContact O-CB 3.36Å; R90-M94 WeakPolarHBondContact O-CG 3.39Å; R90-M94 PolarHBondContact O-N 3.21Å |
| 91 | Q | 63.1 | Low | 59.1 | Low | 81 Ų | 81 | 89.1 Ų | 89.1 | 38% | 0.379 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.6 | -48.4 | 175.7 | -73.9 | 176.1 | -12.9 | 0 | 0 | 111.7 | D87 F88 F89 L93 M94 E95 | D87-Q91 WeakPolarHBondContact O-CG 3.17Å; D87-Q91 PolarHBondContact O-N 3.04Å; F88-Q91 PolarHBondContact O-N 3.23Å; F89-Q91 VanDerWaalsContact C-N 3.25Å; F89-Q91 PolarHBondContact O-N 3.4Å; Q91-L93 PolarHBondContact O-N 2.8Å; Q91-M94 PolarHBondContact O-N 3.48Å; Q91-E95 PolarHBondContact O-N 2.89Å; Q91-E95 VanDerWaalsContact O-N 3.15Å |
| 92 | L | 63.2 | Low | 59 | Low | 83 Ų | 83 | 90.5 Ų | 90.5 | 44% | 0.435 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -55.6 | -38.2 | 174.4 | -88.2 | 144.4 | 0 | 0 | 0 | 112.8 | F88 F89 | F88-L92 HydrophobicContact CD1-CD1 3.61Å; F88-L92 HydrophobicContact CE1-CD1 3.26Å; F88-L92 HydrophobicContact CE2-CD1 4.29Å; F88-L92 HydrophobicContact CG-CD1 4.26Å; F88-L92 HydrophobicContact CZ-CD1 3.65Å; F88-L92 PolarHBondContact O-N 3.01Å; F88-L92 VanDerWaalsContact O-N 3.12Å; F89-L92 PolarHBondContact O-N 2.93Å |
| 93 | L | 55.1 | Low | 58.9 | Low | 55 Ų | 55 | 97.2 Ų | 97.2 | 29% | 0.288 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -84.9 | -21.2 | -179.7 | -83.9 | 123.1 | 0 | 0 | 0 | 114.4 | F89 R90 Q91 M104 A108 | F89-L93 HydrophobicContact CB-CD1 4.31Å; F89-L93 HydrophobicContact CD1-CD1 4.33Å; F89-L93 WeakPolarHBondContact O-CB 3.02Å; F89-L93 WeakPolarHBondContact O-CD1 2.98Å; F89-L93 PolarHBondContact O-N 2.89Å; R90-L93 PolarHBondContact O-N 3.35Å; Q91-L93 PolarHBondContact O-N 2.8Å; L93-M104 HydrophobicContact CD2-CE 4.38Å; L93-A108 HydrophobicContact CD1-CB 3.84Å; L93-A108 HydrophobicContact CD2-CB 3.5Å; L93-A108 VanDerWaalsContact CD2-CB 3.5Å; L93-A108 HydrophobicContact CG-CB 4.2Å |
| 94 | M | 53.5 | Low | 59 | Low | 142 Ų | 142 | 98 Ų | 98 | 70% | 0.7 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -85.1 | -18.3 | 176.6 | -76.9 | -178.5 | -179.7 | 0 | 0 | 112.8 | R90 Q91 D96 | R90-M94 VanDerWaalsContact O-CB 3.22Å; R90-M94 WeakPolarHBondContact O-CB 3.36Å; R90-M94 WeakPolarHBondContact O-CG 3.39Å; R90-M94 PolarHBondContact O-N 3.21Å; Q91-M94 PolarHBondContact O-N 3.48Å; M94-D96 VanDerWaalsContact C-N 3.26Å; M94-D96 PolarHBondContact O-N 3.48Å |
| 95 | E | 50.9 | Low | 59 | Low | 164 Ų | 164 | 99.9 Ų | 99.9 | 77% | 0.766 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -25.3 | 177.7 | -149.9 | 166.4 | -170.2 | 0 | 0 | 112.3 | Q91 G97 | Q91-E95 PolarHBondContact O-N 2.89Å; Q91-E95 VanDerWaalsContact O-N 3.15Å; E95-G97 PolarHBondContact O-N 2.96Å |
| 96 | D | 48.3 | Very low | 59.1 | Low | 120 Ų | 120 | 101.3 Ų | 101.3 | 64% | 0.642 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | 7.3 | -175.2 | -80.8 | -27.1 | 0 | 0 | 0 | 115.9 | M94 M98 | M94-D96 VanDerWaalsContact C-N 3.26Å; M94-D96 PolarHBondContact O-N 3.48Å; D96-M98 PolarHBondContact O-N 2.85Å |
| 97 | G | 48.3 | Very low | 59.3 | Low | 75 Ų | 75 | 105 Ų | 105 | 77% | 0.773 | 51% | 0.512 | S | S | * | . | trans | 56.1 | 18 | 169.7 | 0 | 0 | 0 | 0 | 0 | 116 | E95 | E95-G97 PolarHBondContact O-N 2.96Š| ||
| 98 | M | 44.5 | Very low | 59.5 | Low | 122 Ų | 122 | 104.6 Ų | 104.6 | 60% | 0.601 | 51% | 0.513 | S | S | * | . | trans | -88 | 132.7 | -170.4 | -106.6 | -176 | 64.8 | 0 | 0 | 111.6 | D96 M104 | D96-M98 PolarHBondContact O-N 2.85Å; M98-M104 HydrophobicContact CB-CE 3.63Å; M98-M104 HydrophobicContact CB-SD 3.6Å; M98-M104 HydrophobicContact CE-CE 3.47Å; M98-M104 VanDerWaalsContact CE-CE 3.47Å; M98-M104 HydrophobicContact CE-CG 4.29Å; M98-M104 HydrophobicContact CE-SD 3.17Å; M98-M104 WeakPolarHBondContact CE-SD 3.1Å; M98-M104 HydrophobicContact CG-CE 4.24Å; M98-M104 HydrophobicContact CG-SD 4.38Å; M98-M104 HydrophobicContact SD-CE 3.63Å; M98-M104 HydrophobicContact SD-SD 4.07Å | ||
| 99 | Q | 45.3 | Very low | 59.5 | Low | 162 Ų | 162 | 99 Ų | 99 | 76% | 0.757 | 49% | 0.49 | S | S | * | . | trans | -52.9 | 146.2 | -178 | -74.4 | -145.4 | -26.1 | 0 | 0 | 113.9 | N101 | Q99-N101 PolarHBondContact O-N 3.38Š| ||
| 100 | R | 53.8 | Low | 59.9 | Low | 247 Ų | 247 | 97.8 Ų | 97.8 | 93% | 0.932 | 49% | 0.487 | S | S | * | . | trans | -56.5 | 68.9 | 176.7 | -65.3 | 175.2 | 67.5 | 170.8 | -0.1 | 113.1 | ||||
| 101 | N | 63.2 | Low | 60.6 | Low | 101 Ų | 101 | 93.2 Ų | 93.2 | 54% | 0.54 | 48% | 0.477 | S | S | . | . | trans | -91 | 129 | 170.5 | -88.9 | -49.1 | 0 | 0 | 0 | 109.5 | Q99 K103 M104 E105 | Q99-N101 PolarHBondContact O-N 3.38Å; N101-K103 PolarHBondContact O-N 2.84Å; N101-K103 VanDerWaalsContact O-N 3.09Å; N101-M104 HydrophobicContact CB-CB 4.44Å; N101-M104 WeakPolarHBondContact O-CA 3.28Å; N101-M104 WeakPolarHBondContact O-CB 3.35Å; N101-M104 PolarHBondContact O-N 2.85Å; N101-E105 PolarHBondContact O-N 3.04Å; N101-E105 VanDerWaalsContact O-N 3.14Å | ||
| 102 | L | 66.1 | Low | 60.8 | Low | 75 Ų | 75 | 89.7 Ų | 89.7 | 39% | 0.393 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -48.6 | -39.7 | 178 | -179.3 | 64 | 0 | 0 | 0 | 112.8 | M104 E105 M106 P202 | L102-M104 VanDerWaalsContact C-N 3.31Å; L102-M104 PolarHBondContact O-N 3.45Å; L102-E105 PolarHBondContact O-N 2.59Å; L102-M106 HydrophobicContact CG-SD 4.2Å; L102-M106 WeakPolarHBondContact O-CG 3.3Å; L102-M106 PolarHBondContact O-N 3.43Å; L102-P202 HydrophobicContact CD1-CB 3.76Å; L102-P202 HydrophobicContact CD1-CG 3.86Å; L102-P202 HydrophobicContact CD2-CB 4.11Å; L102-P202 HydrophobicContact CD2-CG 4.49Å; L102-P202 HydrophobicContact CG-CB 4.33Å; L102-P202 HydrophobicContact CG-CG 4.32Å |
| 103 | K | 66.1 | Low | 61.1 | Low | 169 Ų | 169 | 86.1 Ų | 86.1 | 74% | 0.735 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -63.7 | -35 | 177.7 | -62.8 | -178.9 | -179.7 | 178.5 | 0 | 112.8 | N101 L107 | N101-K103 PolarHBondContact O-N 2.84Å; N101-K103 VanDerWaalsContact O-N 3.09Å; K103-L107 WeakPolarHBondContact O-CB 3.34Å; K103-L107 PolarHBondContact O-N 3.2Å |
| 104 | M | 66.8 | Low | 62.1 | Low | 39 Ų | 39 | 87.9 Ų | 87.9 | 19% | 0.192 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -75.7 | -38.1 | 178.6 | -164.5 | 179.2 | -171.3 | 0 | 0 | 111.1 | L93 M98 N101 L102 M106 L107 A108 | L93-M104 HydrophobicContact CD2-CE 4.38Å; M98-M104 HydrophobicContact CB-CE 3.63Å; M98-M104 HydrophobicContact CB-SD 3.6Å; M98-M104 HydrophobicContact CE-CE 3.47Å; M98-M104 VanDerWaalsContact CE-CE 3.47Å; M98-M104 HydrophobicContact CE-CG 4.29Å; M98-M104 HydrophobicContact CE-SD 3.17Å; M98-M104 WeakPolarHBondContact CE-SD 3.1Å; M98-M104 HydrophobicContact CG-CE 4.24Å; M98-M104 HydrophobicContact CG-SD 4.38Å; M98-M104 HydrophobicContact SD-CE 3.63Å; M98-M104 HydrophobicContact SD-SD 4.07Å; N101-M104 HydrophobicContact CB-CB 4.44Å; N101-M104 WeakPolarHBondContact O-CA 3.28Å; N101-M104 WeakPolarHBondContact O-CB 3.35Å; N101-M104 PolarHBondContact O-N 2.85Å; L102-M104 VanDerWaalsContact C-N 3.31Å; L102-M104 PolarHBondContact O-N 3.45Å; M104-M106 VanDerWaalsContact C-N 3.29Å; M104-M106 PolarHBondContact O-N 3.46Å; M104-L107 PolarHBondContact O-N 3.46Å; M104-A108 VanDerWaalsContact O-CB 3.26Å; M104-A108 WeakPolarHBondContact O-CB 3.22Å; M104-A108 PolarHBondContact O-N 3.19Å |
| 105 | E | 65.9 | Low | 62.9 | Low | 76 Ų | 76 | 83.4 Ų | 83.4 | 36% | 0.355 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.8 | -37.9 | 172.6 | -169.2 | 170.7 | -176.9 | 0 | 0 | 111.5 | N101 L102 G109 | N101-E105 PolarHBondContact O-N 3.04Å; N101-E105 VanDerWaalsContact O-N 3.14Å; L102-E105 PolarHBondContact O-N 2.59Å; E105-G109 PolarHBondContact O-N 3.39Å |
| 106 | M | 69.1 | Low | 63.9 | Low | 45 Ų | 45 | 77.4 Ų | 77.4 | 22% | 0.222 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.1 | -45.7 | 172.1 | -66.6 | 167.9 | 80.1 | 0 | 0 | 112.2 | L102 M104 G109 C110 I198 P202 | L102-M106 HydrophobicContact CG-SD 4.2Å; L102-M106 WeakPolarHBondContact O-CG 3.3Å; L102-M106 PolarHBondContact O-N 3.43Å; M104-M106 VanDerWaalsContact C-N 3.29Å; M104-M106 PolarHBondContact O-N 3.46Å; M106-G109 PolarHBondContact O-N 2.97Å; M106-C110 WeakPolarHBondContact O-CB 3.31Å; M106-C110 PolarHBondContact O-N 2.9Å; M106-C110 PolarHBondContact O-SG 3Å; M106-I198 HydrophobicContact CE-CB 4.03Å; M106-I198 HydrophobicContact CE-CG1 4.09Å; M106-I198 HydrophobicContact CE-CG2 3.6Å; M106-P202 HydrophobicContact CE-CG 4.03Å; M106-P202 HydrophobicContact CG-CG 3.89Å; M106-P202 HydrophobicContact SD-CG 3.69Å |
| 107 | L | 71.1 | Confident | 65.1 | Low | 127 Ų | 127 | 71.7 Ų | 71.7 | 67% | 0.665 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -62.5 | -41.7 | 176.5 | -90.6 | 156.1 | 0 | 0 | 0 | 112.2 | K103 M104 C110 G111 | K103-L107 WeakPolarHBondContact O-CB 3.34Å; K103-L107 PolarHBondContact O-N 3.2Å; M104-L107 PolarHBondContact O-N 3.46Å; L107-C110 PolarHBondContact O-N 2.75Å; L107-G111 PolarHBondContact O-N 2.97Å |
| 108 | A | 67.4 | Low | 66.5 | Low | 23 Ų | 23 | 71.2 Ų | 71.2 | 19% | 0.19 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.6 | -49 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L93 M104 C110 G111 A112 | L93-A108 HydrophobicContact CD1-CB 3.84Å; L93-A108 HydrophobicContact CD2-CB 3.5Å; L93-A108 VanDerWaalsContact CD2-CB 3.5Å; L93-A108 HydrophobicContact CG-CB 4.2Å; M104-A108 VanDerWaalsContact O-CB 3.26Å; M104-A108 WeakPolarHBondContact O-CB 3.22Å; M104-A108 PolarHBondContact O-N 3.19Å; A108-C110 VanDerWaalsContact C-N 3.33Å; A108-C110 PolarHBondContact O-N 3.44Å; A108-G111 PolarHBondContact O-N 2.86Å; A108-A112 VanDerWaalsContact O-CB 3.29Å; A108-A112 WeakPolarHBondContact O-CB 3.29Å; A108-A112 PolarHBondContact O-N 3.4Å |
| 109 | G | 66.6 | Low | 68 | Low | 8 Ų | 8 | 68.9 Ų | 68.9 | 8% | 0.082 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.9 | -37.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E105 M106 G113 | E105-G109 PolarHBondContact O-N 3.39Å; M106-G109 PolarHBondContact O-N 2.97Å; G109-G113 PolarHBondContact O-N 3.25Å |
| 110 | C | 71.8 | Confident | 69.4 | Low | 22 Ų | 22 | 61.1 Ų | 61.1 | 15% | 0.149 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.5 | -46.9 | 174 | -72.2 | 0 | 0 | 0 | 0 | 111.8 | M106 L107 A108 G113 M114 | M106-C110 WeakPolarHBondContact O-CB 3.31Å; M106-C110 PolarHBondContact O-N 2.9Å; M106-C110 PolarHBondContact O-SG 3Å; L107-C110 PolarHBondContact O-N 2.75Å; A108-C110 VanDerWaalsContact C-N 3.33Å; A108-C110 PolarHBondContact O-N 3.44Å; C110-G113 PolarHBondContact O-N 2.95Å; C110-M114 VanDerWaalsContact O-CG 3.31Å; C110-M114 WeakPolarHBondContact O-CG 3.24Å; C110-M114 PolarHBondContact O-N 2.88Å |
| 111 | G | 72.5 | Confident | 70.5 | Confident | 21 Ų | 21 | 49.6 Ų | 49.6 | 22% | 0.216 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.4 | -47.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L107 A108 G113 M114 C115 | L107-G111 PolarHBondContact O-N 2.97Å; A108-G111 PolarHBondContact O-N 2.86Å; G111-G113 VanDerWaalsContact C-N 3.34Å; G111-G113 PolarHBondContact O-N 3.42Å; G111-M114 PolarHBondContact O-N 3.28Å; G111-C115 PolarHBondContact O-N 3.23Å; G111-C115 VanDerWaalsContact O-N 3.12Å |
| 112 | A | 67.7 | Low | 71.1 | Confident | 7 Ų | 7 | 46 Ų | 46 | 6% | 0.058 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.8 | -45.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | F89 A108 M114 C115 Q116 | F89-A112 HydrophobicContact CB-CB 3.76Å; F89-A112 HydrophobicContact CD2-CB 4.46Å; F89-A112 HydrophobicContact CG-CB 4.04Å; A108-A112 VanDerWaalsContact O-CB 3.29Å; A108-A112 WeakPolarHBondContact O-CB 3.29Å; A108-A112 PolarHBondContact O-N 3.4Å; A112-M114 PolarHBondContact O-N 2.97Å; A112-C115 PolarHBondContact O-N 3.31Å; A112-Q116 WeakPolarHBondContact O-CB 3.34Å; A112-Q116 PolarHBondContact O-N 3.48Å |
| 113 | G | 69.9 | Low | 71.4 | Confident | 8 Ų | 8 | 45.9 Ų | 45.9 | 8% | 0.082 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.2 | -41.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | G109 C110 G111 Q116 V117 | G109-G113 PolarHBondContact O-N 3.25Å; C110-G113 PolarHBondContact O-N 2.95Å; G111-G113 VanDerWaalsContact C-N 3.34Å; G111-G113 PolarHBondContact O-N 3.42Å; G113-Q116 WeakPolarHBondContact O-CB 3.42Å; G113-Q116 PolarHBondContact O-N 3.34Å; G113-V117 VanDerWaalsContact O-CB 3.29Å; G113-V117 WeakPolarHBondContact O-CB 3.29Å; G113-V117 WeakPolarHBondContact O-CG2 3.33Å; G113-V117 PolarHBondContact O-N 3.13Å |
| 114 | M | 74.9 | Confident | 71.6 | Confident | 93 Ų | 93 | 38.5 Ų | 38.5 | 46% | 0.458 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64 | -49.9 | 177.6 | -72.5 | -162.3 | -61 | 0 | 0 | 111.9 | C110 G111 A112 Q116 V117 V118 L190 I194 | C110-M114 VanDerWaalsContact O-CG 3.31Å; C110-M114 WeakPolarHBondContact O-CG 3.24Å; C110-M114 PolarHBondContact O-N 2.88Å; G111-M114 PolarHBondContact O-N 3.28Å; A112-M114 PolarHBondContact O-N 2.97Å; M114-Q116 VanDerWaalsContact C-N 3.34Å; M114-Q116 PolarHBondContact O-N 3.49Å; M114-V117 PolarHBondContact O-N 3.5Å; M114-V118 WeakPolarHBondContact O-CG2 3.35Å; M114-V118 PolarHBondContact O-N 2.88Å; M114-L190 HydrophobicContact CB-CD2 4.29Å; M114-L190 HydrophobicContact CG-CD2 3.98Å; M114-I194 HydrophobicContact CG-CD1 4.35Å |
| 115 | C | 71.6 | Confident | 71.9 | Confident | 48 Ų | 48 | 36.7 Ų | 36.7 | 32% | 0.324 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.9 | -42.7 | 178.6 | -172.9 | 0 | 0 | 0 | 0 | 111.4 | F89 G111 A112 V117 V118 V119 | F89-C115 HydrophobicContact CD2-CB 4.21Å; F89-C115 HydrophobicContact CE2-CB 3.23Å; F89-C115 WeakPolarHBondContact CE2-SG 3.46Å; F89-C115 HydrophobicContact CZ-CB 3.43Å; F89-C115 VanDerWaalsContact CZ-CB 3.43Å; G111-C115 PolarHBondContact O-N 3.23Å; G111-C115 VanDerWaalsContact O-N 3.12Å; A112-C115 PolarHBondContact O-N 3.31Å; C115-V117 VanDerWaalsContact C-N 3.31Å; C115-V117 PolarHBondContact O-N 2.9Å; C115-V118 PolarHBondContact O-N 2.91Å; C115-V119 WeakPolarHBondContact O-CG2 3.25Å; C115-V119 PolarHBondContact O-N 3.49Å; C115-V119 VanDerWaalsContact O-N 3.07Å |
| 116 | Q | 71.7 | Confident | 72.1 | Confident | 38 Ų | 38 | 34.5 Ų | 34.5 | 18% | 0.178 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -53.6 | -49.4 | 173.1 | -179.2 | -147.4 | -77.2 | 0 | 0 | 111.3 | K82 A85 A112 G113 M114 V118 V119 T120 | K82-Q116 HydrophobicContact CB-CG 4.3Å; K82-Q116 HydrophobicContact CD-CG 4.43Å; K82-Q116 HydrophobicContact CG-CG 3.63Å; A85-Q116 HydrophobicContact CB-CB 4.49Å; A112-Q116 WeakPolarHBondContact O-CB 3.34Å; A112-Q116 PolarHBondContact O-N 3.48Å; G113-Q116 WeakPolarHBondContact O-CB 3.42Å; G113-Q116 PolarHBondContact O-N 3.34Å; M114-Q116 VanDerWaalsContact C-N 3.34Å; M114-Q116 PolarHBondContact O-N 3.49Å; Q116-V118 VanDerWaalsContact C-N 3.32Å; Q116-V118 PolarHBondContact O-N 3.34Å; Q116-V119 PolarHBondContact O-N 2.97Å; Q116-T120 HydrophobicContact CG-CG2 4.37Å; Q116-T120 WeakPolarHBondContact O-CB 3.45Å; Q116-T120 WeakPolarHBondContact O-CG2 3.33Å; Q116-T120 PolarHBondContact O-N 3.4Å; Q116-T120 PolarHBondContact O-OG1 3.25Å |
| 117 | V | 73.3 | Confident | 72.3 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65 | -37.6 | -178 | 166.7 | 0 | 0 | 0 | 0 | 111 | G113 M114 C115 T120 S121 L186 T189 L190 D193 | G113-V117 VanDerWaalsContact O-CB 3.29Å; G113-V117 WeakPolarHBondContact O-CB 3.29Å; G113-V117 WeakPolarHBondContact O-CG2 3.33Å; G113-V117 PolarHBondContact O-N 3.13Å; M114-V117 PolarHBondContact O-N 3.5Å; C115-V117 VanDerWaalsContact C-N 3.31Å; C115-V117 PolarHBondContact O-N 2.9Å; V117-T120 PolarHBondContact O-N 2.88Å; V117-S121 WeakPolarHBondContact O-CA 3.42Å; V117-S121 WeakPolarHBondContact O-CB 3.32Å; V117-S121 PolarHBondContact O-N 2.95Å; V117-S121 PolarHBondContact O-OG 3.37Å; V117-L186 HydrophobicContact CG1-CD1 3.53Å; V117-T189 HydrophobicContact CB-CG2 4.2Å; V117-T189 HydrophobicContact CG1-CG2 3.47Å; V117-T189 VanDerWaalsContact CG1-CG2 3.47Å; V117-T189 HydrophobicContact CG2-CG2 3.66Å; V117-L190 HydrophobicContact CB-CD2 3.73Å; V117-L190 HydrophobicContact CG1-CD2 3.59Å; V117-L190 HydrophobicContact CG1-CG 3.81Å; V117-L190 HydrophobicContact CG2-CD2 4.21Å; V117-D193 HydrophobicContact CG2-CB 4.08Å; V117-D193 WeakPolarHBondContact CG2-OD2 3.41Å |
| 118 | V | 78.1 | Confident | 72.1 | Confident | 65 Ų | 65 | 30 Ų | 30 | 39% | 0.394 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -60.2 | -48.2 | 173.9 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | M114 C115 Q116 Y183 | M114-V118 WeakPolarHBondContact O-CG2 3.35Å; M114-V118 PolarHBondContact O-N 2.88Å; C115-V118 PolarHBondContact O-N 2.91Å; Q116-V118 VanDerWaalsContact C-N 3.32Å; Q116-V118 PolarHBondContact O-N 3.34Å; V118-Y183 HydrophobicContact CG1-CE1 4.42Å; V118-Y183 WeakPolarHBondContact O-CE1 3.27Å |
| 119 | V | 75.1 | Confident | 72.2 | Confident | 72 Ų | 72 | 29.9 Ų | 29.9 | 44% | 0.436 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -70.3 | -37.2 | -178.2 | -178.3 | 0 | 0 | 0 | 0 | 112.1 | I81 C115 Q116 | I81-V119 HydrophobicContact CG2-CB 4.3Å; I81-V119 HydrophobicContact CG2-CG1 3.55Å; C115-V119 WeakPolarHBondContact O-CG2 3.25Å; C115-V119 PolarHBondContact O-N 3.49Å; C115-V119 VanDerWaalsContact O-N 3.07Å; Q116-V119 PolarHBondContact O-N 2.97Å |
| 120 | T | 74.7 | Confident | 72.2 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -92 | -15 | -172.8 | 58.5 | 0 | 0 | 0 | 0 | 114.2 | I81 K82 Q116 V117 M123 E124 | I81-T120 HydrophobicContact CB-CG2 4.48Å; I81-T120 HydrophobicContact CG2-CG2 3.88Å; K82-T120 HydrophobicContact CG-CG2 4.04Å; Q116-T120 HydrophobicContact CG-CG2 4.37Å; Q116-T120 WeakPolarHBondContact O-CB 3.45Å; Q116-T120 WeakPolarHBondContact O-CG2 3.33Å; Q116-T120 PolarHBondContact O-N 3.4Å; Q116-T120 PolarHBondContact O-OG1 3.25Å; V117-T120 PolarHBondContact O-N 2.88Å; T120-M123 WeakPolarHBondContact O-CB 3.32Å; T120-M123 PolarHBondContact O-N 3.42Å; T120-E124 PolarHBondContact O-N 2.99Å |
| 121 | S | 76.3 | Confident | 71.8 | Confident | 5 Ų | 5 | 33.3 Ų | 33.3 | 4% | 0.035 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -55.8 | -44.8 | -178.5 | -77.5 | 0 | 0 | 0 | 0 | 114.2 | V117 M123 E124 M125 L186 | V117-S121 WeakPolarHBondContact O-CA 3.42Å; V117-S121 WeakPolarHBondContact O-CB 3.32Å; V117-S121 PolarHBondContact O-N 2.95Å; V117-S121 PolarHBondContact O-OG 3.37Å; S121-M123 VanDerWaalsContact C-N 3.29Å; S121-M123 PolarHBondContact O-N 2.74Å; S121-E124 PolarHBondContact O-N 2.72Å; S121-M125 WeakPolarHBondContact O-CB 3.41Å; S121-M125 PolarHBondContact O-N 3.22Å; S121-L186 WeakPolarHBondContact OG-CD1 3.32Å |
| 122 | P | 75.6 | Confident | 71.3 | Confident | 25 Ų | 25 | 33.8 Ų | 33.8 | 16% | 0.162 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.7 | -40.3 | 175 | -27.9 | 37.6 | 0 | 0 | 0 | 113.1 | L126 L182 Y183 | P122-L126 VanDerWaalsContact O-CG 3.26Å; P122-L126 WeakPolarHBondContact O-CG 3.3Å; P122-L126 PolarHBondContact O-N 3.49Å; P122-L182 HydrophobicContact CB-CB 4.48Å; P122-L182 HydrophobicContact CB-CD2 4.22Å; P122-Y183 HydrophobicContact CG-CE1 4.22Å; P122-Y183 HydrophobicContact CG-CE2 4.38Å |
| 123 | M | 72.5 | Confident | 71 | Confident | 72 Ų | 72 | 34.6 Ų | 34.6 | 36% | 0.355 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -70.2 | -41.9 | 179.2 | -65.4 | -174.7 | 176.1 | 0 | 0 | 111.7 | I81 T120 S121 M125 L126 K127 | I81-M123 HydrophobicContact CD1-CE 3.44Å; I81-M123 VanDerWaalsContact CD1-CE 3.44Å; I81-M123 HydrophobicContact CD1-SD 3.73Å; T120-M123 WeakPolarHBondContact O-CB 3.32Å; T120-M123 PolarHBondContact O-N 3.42Å; S121-M123 VanDerWaalsContact C-N 3.29Å; S121-M123 PolarHBondContact O-N 2.74Å; M123-M125 VanDerWaalsContact C-N 3.34Å; M123-M125 PolarHBondContact O-N 2.98Å; M123-L126 PolarHBondContact O-N 3.32Å; M123-K127 WeakPolarHBondContact O-CB 3.11Å; M123-K127 PolarHBondContact O-N 3.25Å |
| 124 | E | 71.3 | Confident | 70.5 | Confident | 14 Ų | 14 | 35.7 Ų | 35.7 | 7% | 0.065 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.4 | -43.4 | 175.5 | -70.2 | -166.2 | 169.5 | 0 | 0 | 111 | K82 T120 S121 K127 I128 R192 K246 | K82-E124 IonicContact NZ-OE1 3.87Å; K82-E124 PolarHBondContact NZ-OE1 3.48Å; T120-E124 PolarHBondContact O-N 2.99Å; S121-E124 PolarHBondContact O-N 2.72Å; E124-K127 PolarHBondContact O-N 2.95Å; E124-I128 VanDerWaalsContact O-CG1 3.28Å; E124-I128 WeakPolarHBondContact O-CG1 3.42Å; E124-I128 PolarHBondContact O-N 3.31Å; E124-R192 IonicContact OE1-NH2 2.72Å; E124-K246 IonicContact OE2-NZ 2.84Å; E124-K246 PolarHBondContact OE2-NZ 3.35Å |
| 125 | M | 72.1 | Confident | 69.7 | Low | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59 | -51.1 | 174.5 | 177.8 | 59.5 | 75 | 0 | 0 | 111.1 | S121 M123 K127 I128 Q129 L173 K184 Q250 L252 | S121-M125 WeakPolarHBondContact O-CB 3.41Å; S121-M125 PolarHBondContact O-N 3.22Å; M123-M125 VanDerWaalsContact C-N 3.34Å; M123-M125 PolarHBondContact O-N 2.98Å; M125-K127 VanDerWaalsContact C-N 3.29Å; M125-K127 PolarHBondContact O-N 3.31Å; M125-I128 PolarHBondContact O-N 2.97Å; M125-Q129 WeakPolarHBondContact O-CG 3.43Å; M125-Q129 PolarHBondContact O-N 3.46Å; M125-Q129 HydrophobicContact SD-CG 4.2Å; M125-L173 HydrophobicContact CG-CD2 4.08Å; M125-K184 HydrophobicContact CE-CB 3.96Å; M125-K184 WeakPolarHBondContact CE-O 3.23Å; M125-Q250 HydrophobicContact CE-CG 4.42Å; M125-L252 HydrophobicContact SD-CD1 4.42Å |
| 126 | L | 71.1 | Confident | 68.8 | Low | 30 Ų | 30 | 37.4 Ų | 37.4 | 16% | 0.157 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.1 | -38.2 | 179.8 | -71.5 | 172.7 | 0 | 0 | 0 | 112.7 | P122 M123 Q129 L130 I169 A170 | P122-L126 VanDerWaalsContact O-CG 3.26Å; P122-L126 WeakPolarHBondContact O-CG 3.3Å; P122-L126 PolarHBondContact O-N 3.49Å; M123-L126 PolarHBondContact O-N 3.32Å; L126-Q129 PolarHBondContact O-N 3.06Å; L126-L130 WeakPolarHBondContact O-CB 3.46Å; L126-L130 PolarHBondContact O-N 3.3Å; L126-I169 HydrophobicContact CD2-CG2 4.19Å; L126-A170 HydrophobicContact CD1-CB 4.14Å; L126-A170 HydrophobicContact CD2-CB 3.65Å |
| 127 | K | 72.9 | Confident | 67.9 | Low | 45 Ų | 45 | 37.5 Ų | 37.5 | 20% | 0.196 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.1 | -47.5 | 176 | -178.9 | -175.6 | 177 | -171.6 | 0 | 111.4 | L74 V75 E78 M123 E124 M125 Q129 L130 Q131 | L74-K127 HydrophobicContact CD1-CB 4.34Å; L74-K127 HydrophobicContact CD1-CG 4.43Å; V75-K127 HydrophobicContact CG2-CD 4.2Å; E78-K127 IonicContact OE2-NZ 2.8Å; M123-K127 WeakPolarHBondContact O-CB 3.11Å; M123-K127 PolarHBondContact O-N 3.25Å; E124-K127 PolarHBondContact O-N 2.95Å; M125-K127 VanDerWaalsContact C-N 3.29Å; M125-K127 PolarHBondContact O-N 3.31Å; K127-Q129 VanDerWaalsContact C-N 3.33Å; K127-Q129 PolarHBondContact O-N 3.29Å; K127-L130 PolarHBondContact O-N 3.13Å; K127-Q131 WeakPolarHBondContact O-CB 3.45Å; K127-Q131 VanDerWaalsContact O-CG 3.25Å; K127-Q131 WeakPolarHBondContact O-CG 3.37Å; K127-Q131 PolarHBondContact O-N 3.37Å |
| 128 | I | 67.6 | Low | 66.8 | Low | 33 Ų | 33 | 42.1 Ų | 42.1 | 17% | 0.169 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.8 | -46.7 | 177.1 | -67.3 | 165.4 | 0 | 0 | 0 | 109.7 | E124 M125 L130 Q131 D132 Q250 | E124-I128 VanDerWaalsContact O-CG1 3.28Å; E124-I128 WeakPolarHBondContact O-CG1 3.42Å; E124-I128 PolarHBondContact O-N 3.31Å; M125-I128 PolarHBondContact O-N 2.97Å; I128-L130 PolarHBondContact O-N 3.47Å; I128-Q131 PolarHBondContact O-N 3.47Å; I128-D132 WeakPolarHBondContact O-CB 3.49Å; I128-D132 PolarHBondContact O-N 3.15Å; I128-Q250 HydrophobicContact CD1-CB 4.14Å |
| 129 | Q | 68.4 | Low | 65.2 | Low | 19 Ų | 19 | 44.8 Ų | 44.8 | 9% | 0.089 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.7 | -40.7 | 178.5 | -66.8 | -52.5 | -37.6 | 0 | 0 | 113.2 | M125 L126 K127 D132 A133 I169 L252 | M125-Q129 WeakPolarHBondContact O-CG 3.43Å; M125-Q129 PolarHBondContact O-N 3.46Å; M125-Q129 HydrophobicContact SD-CG 4.2Å; L126-Q129 PolarHBondContact O-N 3.06Å; K127-Q129 VanDerWaalsContact C-N 3.33Å; K127-Q129 PolarHBondContact O-N 3.29Å; Q129-D132 PolarHBondContact O-N 3.33Å; Q129-A133 WeakPolarHBondContact O-CB 3.49Å; Q129-A133 PolarHBondContact O-N 3.21Å; Q129-I169 HydrophobicContact CB-CD1 4.48Å; Q129-I169 HydrophobicContact CB-CG2 3.77Å; Q129-I169 HydrophobicContact CG-CG2 4.19Å; Q129-L252 VanDerWaalsContact NE2-CG 3.32Å |
| 130 | L | 67.4 | Low | 63.6 | Low | 25 Ų | 25 | 48.1 Ų | 48.1 | 13% | 0.131 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -72.2 | -37.5 | -179.3 | -160.4 | 161.1 | 0 | 0 | 0 | 110.9 | V70 L74 L126 K127 I128 A133 G134 A166 I169 | V70-L130 HydrophobicContact CB-CD2 4.5Å; V70-L130 HydrophobicContact CG1-CD1 4.44Å; V70-L130 HydrophobicContact CG1-CD2 3.36Å; V70-L130 HydrophobicContact CG1-CG 4.44Å; V70-L130 HydrophobicContact CG2-CD2 4.35Å; L74-L130 HydrophobicContact CD1-CD1 4.18Å; L126-L130 WeakPolarHBondContact O-CB 3.46Å; L126-L130 PolarHBondContact O-N 3.3Å; K127-L130 PolarHBondContact O-N 3.13Å; I128-L130 PolarHBondContact O-N 3.47Å; L130-A133 PolarHBondContact O-N 2.73Å; L130-G134 PolarHBondContact O-N 3.17Å; L130-A166 HydrophobicContact CD1-CB 3.84Å; L130-I169 HydrophobicContact CB-CD1 4.3Å; L130-I169 HydrophobicContact CG-CD1 4.46Å |
| 131 | Q | 63.7 | Low | 62 | Low | 78 Ų | 78 | 55.6 Ų | 55.6 | 36% | 0.364 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 172.3 | -72.5 | 179.4 | -9.1 | 0 | 0 | 111.8 | N71 K127 I128 G134 R135 | N71-Q131 PolarHBondContact OD1-NE2 3.4Å; K127-Q131 WeakPolarHBondContact O-CB 3.45Å; K127-Q131 VanDerWaalsContact O-CG 3.25Å; K127-Q131 WeakPolarHBondContact O-CG 3.37Å; K127-Q131 PolarHBondContact O-N 3.37Å; I128-Q131 PolarHBondContact O-N 3.47Å; Q131-G134 PolarHBondContact O-N 3.18Å; Q131-R135 PolarHBondContact O-N 3.41Å |
| 132 | D | 62 | Low | 60 | Low | 31 Ų | 31 | 57.8 Ų | 57.8 | 17% | 0.166 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68 | -43.3 | 176.2 | -76.1 | -13.1 | 0 | 0 | 0 | 111.9 | I128 Q129 G134 R135 L136 | I128-D132 WeakPolarHBondContact O-CB 3.49Å; I128-D132 PolarHBondContact O-N 3.15Å; Q129-D132 PolarHBondContact O-N 3.33Å; D132-G134 VanDerWaalsContact C-N 3.28Å; D132-G134 PolarHBondContact O-N 3.49Å; D132-R135 WeakPolarHBondContact O-CB 3.36Å; D132-R135 PolarHBondContact O-N 3.02Å; D132-R135 VanDerWaalsContact O-N 3.16Å; D132-L136 WeakPolarHBondContact O-CG 3.23Å; D132-L136 PolarHBondContact O-N 3.18Å |
| 133 | A | 60.7 | Low | 58 | Low | 24 Ų | 24 | 61.6 Ų | 61.6 | 20% | 0.198 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.5 | -37.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q129 L130 A137 P164 I169 | Q129-A133 WeakPolarHBondContact O-CB 3.49Å; Q129-A133 PolarHBondContact O-N 3.21Å; L130-A133 PolarHBondContact O-N 2.73Å; A133-A137 PolarHBondContact O-N 3.26Å; A133-A137 VanDerWaalsContact O-N 3.13Å; A133-P164 HydrophobicContact CB-CB 4Å; A133-P164 HydrophobicContact CB-CG 3.91Å; A133-I169 HydrophobicContact CB-CD1 4.42Å |
| 134 | G | 60 | Low | 56.2 | Low | 31 Ų | 31 | 62.1 Ų | 62.1 | 32% | 0.32 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L130 Q131 D132 L136 A137 V138 | L130-G134 PolarHBondContact O-N 3.17Å; Q131-G134 PolarHBondContact O-N 3.18Å; D132-G134 VanDerWaalsContact C-N 3.28Å; D132-G134 PolarHBondContact O-N 3.49Å; G134-L136 PolarHBondContact O-N 3.46Å; G134-A137 PolarHBondContact O-N 3Å; G134-V138 WeakPolarHBondContact O-CG2 3.45Å; G134-V138 PolarHBondContact O-N 3.48Å |
| 135 | R | 56.8 | Low | 54.4 | Low | 98 Ų | 98 | 66.6 Ų | 66.6 | 37% | 0.37 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.9 | -44.5 | 175.8 | -80.1 | 179 | 153.9 | -179 | -6.5 | 112.6 | Q131 D132 V138 H139 | Q131-R135 PolarHBondContact O-N 3.41Å; D132-R135 WeakPolarHBondContact O-CB 3.36Å; D132-R135 PolarHBondContact O-N 3.02Å; D132-R135 VanDerWaalsContact O-N 3.16Å; R135-V138 PolarHBondContact O-N 2.92Å; R135-H139 PolarHBondContact O-N 3.34Å |
| 136 | L | 54.1 | Low | 52.4 | Low | 79 Ų | 79 | 70.3 Ų | 70.3 | 41% | 0.414 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.9 | -40.1 | 179.5 | -67.3 | 170.6 | 0 | 0 | 0 | 112.1 | D132 G134 V138 H139 H140 K253 | D132-L136 WeakPolarHBondContact O-CG 3.23Å; D132-L136 PolarHBondContact O-N 3.18Å; G134-L136 PolarHBondContact O-N 3.46Å; L136-V138 VanDerWaalsContact C-N 3.27Å; L136-V138 PolarHBondContact O-N 3.48Å; L136-H139 PolarHBondContact O-N 2.94Å; L136-H140 PolarHBondContact O-CD2 3.18Å; L136-H140 VanDerWaalsContact O-CD2 3.25Å; L136-H140 PolarHBondContact O-N 3.46Å; L136-K253 HydrophobicContact CD1-CD 3.89Å |
| 137 | A | 52.7 | Low | 50.8 | Low | 39 Ų | 39 | 75.3 Ų | 75.3 | 32% | 0.322 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.9 | -34.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A133 G134 Q141 | A133-A137 PolarHBondContact O-N 3.26Å; A133-A137 VanDerWaalsContact O-N 3.13Å; G134-A137 PolarHBondContact O-N 3Å; A137-Q141 PolarHBondContact O-N 3.33Å |
| 138 | V | 49.3 | Very low | 48.8 | Very low | 98 Ų | 98 | 78.1 Ų | 78.1 | 59% | 0.594 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -72.4 | -38.7 | 177.1 | 173.6 | 0 | 0 | 0 | 0 | 111.8 | G134 R135 L136 H140 Q141 G142 | G134-V138 WeakPolarHBondContact O-CG2 3.45Å; G134-V138 PolarHBondContact O-N 3.48Å; R135-V138 PolarHBondContact O-N 2.92Å; L136-V138 VanDerWaalsContact C-N 3.27Å; L136-V138 PolarHBondContact O-N 3.48Å; V138-H140 VanDerWaalsContact C-N 3.35Å; V138-H140 PolarHBondContact O-N 2.89Å; V138-Q141 PolarHBondContact O-N 2.98Å; V138-G142 PolarHBondContact O-N 3.19Å; V138-G142 VanDerWaalsContact O-N 3.08Å |
| 139 | H | 44.1 | Very low | 47.3 | Very low | 121 Ų | 121 | 83.5 Ų | 83.5 | 56% | 0.56 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.4 | -36.3 | 176.2 | -91.4 | -76.9 | 0 | 0 | 0 | 113.1 | R135 L136 Q141 G142 S143 | R135-H139 PolarHBondContact O-N 3.34Å; L136-H139 PolarHBondContact O-N 2.94Å; H139-Q141 VanDerWaalsContact C-N 3.3Å; H139-Q141 PolarHBondContact O-N 3.41Å; H139-G142 PolarHBondContact O-N 2.97Å; H139-S143 PolarHBondContact O-N 3.38Å; H139-S143 PolarHBondContact O-OG 3.47Å |
| 140 | H | 42.3 | Very low | 45.5 | Very low | 141 Ų | 141 | 87.7 Ų | 87.7 | 65% | 0.653 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -69.9 | -25.1 | 175.5 | -77.8 | -70 | 0 | 0 | 0 | 113.6 | L136 V138 | L136-H140 PolarHBondContact O-CD2 3.18Å; L136-H140 VanDerWaalsContact O-CD2 3.25Å; L136-H140 PolarHBondContact O-N 3.46Å; V138-H140 VanDerWaalsContact C-N 3.35Å; V138-H140 PolarHBondContact O-N 2.89Å |
| 141 | Q | 40.7 | Very low | 44 | Very low | 157 Ų | 157 | 98.4 Ų | 98.4 | 73% | 0.734 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -82.1 | -29.5 | 174 | -73.1 | -177.6 | -7.5 | 0 | 0 | 113 | A137 V138 H139 | A137-Q141 PolarHBondContact O-N 3.33Å; V138-Q141 PolarHBondContact O-N 2.98Å; H139-Q141 VanDerWaalsContact C-N 3.3Å; H139-Q141 PolarHBondContact O-N 3.41Å |
| 142 | G | 35.9 | Very low | 42.2 | Very low | 52 Ų | 52 | 100.2 Ų | 100.2 | 54% | 0.536 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -71.9 | -26.2 | 178 | 0 | 0 | 0 | 0 | 0 | 114.7 | V138 H139 | V138-G142 PolarHBondContact O-N 3.19Å; V138-G142 VanDerWaalsContact O-N 3.08Å; H139-G142 PolarHBondContact O-N 2.97Å |
| 143 | S | 32 | Very low | 40.7 | Very low | 104 Ų | 104 | 109.4 Ų | 109.4 | 73% | 0.727 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | 3.5 | -179.3 | -55.5 | 0 | 0 | 0 | 0 | 114.6 | H139 | H139-S143 PolarHBondContact O-N 3.38Å; H139-S143 PolarHBondContact O-OG 3.47Å |
| 144 | A | 35.8 | Very low | 39.2 | Very low | 84 Ų | 84 | 115 Ų | 115 | 69% | 0.694 | 67% | 0.671 | S | S | * | * | trans | -98.8 | 34.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 145 | S | 32.8 | Very low | 38 | Very low | 108 Ų | 108 | 120.4 Ų | 120.4 | 76% | 0.755 | 70% | 0.698 | S | S | * | * | trans | -117.4 | 60.9 | 173.7 | 51.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 146 | A | 30.1 | Very low | 36.5 | Very low | 79 Ų | 79 | 119.2 Ų | 119.2 | 65% | 0.653 | 72% | 0.716 | S | S | * | * | trans | -125.7 | 119.9 | 159.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | S148 | A146-S148 PolarHBondContact O-N 3.05Š| ||
| 147 | P | 37.3 | Very low | 35 | Very low | 136 Ų | 136 | 121 Ų | 121 | 88% | 0.883 | 74% | 0.735 | S | S | * | * | trans | -81.2 | 94.4 | 174.6 | 30.6 | -27.8 | 0 | 0 | 0 | 108.6 | ||||
| 148 | S | 30.3 | Very low | 33.8 | Very low | 103 Ų | 103 | 123.5 Ų | 123.5 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | trans | -103.8 | 105.9 | 163.4 | 46.9 | 0 | 0 | 0 | 0 | 109.7 | A146 S150 | A146-S148 PolarHBondContact O-N 3.05Å; S148-S150 PolarHBondContact O-N 3.45Å; S148-S150 VanDerWaalsContact O-N 3.17Å | ||
| 149 | T | 37.5 | Very low | 33 | Very low | 146 Ų | 146 | 123.5 Ų | 123.5 | 90% | 0.896 | 76% | 0.76 | S | S | * | * | trans | -58.7 | 103.9 | 163.9 | 33.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 150 | S | 31.1 | Very low | 32.4 | Very low | 108 Ų | 108 | 123 Ų | 123 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | trans | -160.3 | 118.2 | 149.3 | 47.6 | 0 | 0 | 0 | 0 | 111 | S148 | S148-S150 PolarHBondContact O-N 3.45Å; S148-S150 VanDerWaalsContact O-N 3.17Å | ||
| 151 | R | 35.9 | Very low | 32.2 | Very low | 250 Ų | 250 | 123.8 Ų | 123.8 | 94% | 0.943 | 77% | 0.77 | S | S | * | * | trans | -64.8 | 134.9 | 166.5 | -74.6 | 174 | 178.8 | 164.6 | -0.8 | 109 | ||||
| 152 | S | 25.5 | Very low | 32.3 | Very low | 116 Ų | 116 | 124.3 Ų | 124.3 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | trans | -156.3 | 131 | 142.6 | -160.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 153 | Y | 30.1 | Very low | 33 | Very low | 223 Ų | 223 | 132.7 Ų | 132.7 | 88% | 0.875 | 79% | 0.785 | S | S | * | * | trans | -63.6 | 137 | 171.4 | -88.2 | -108.3 | 0 | 0 | 0 | 110.6 | ||||
| 154 | T | 28.7 | Very low | 34.2 | Very low | 142 Ų | 142 | 130.4 Ų | 130.4 | 87% | 0.871 | 77% | 0.767 | S | S | * | * | trans | -173.5 | 135.5 | 136.9 | 18.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 155 | T | 34.6 | Very low | 35.6 | Very low | 145 Ų | 145 | 128.7 Ų | 128.7 | 89% | 0.89 | 75% | 0.75 | S | S | * | * | trans | -64.1 | 129 | 179 | 42.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 156 | G | 24.8 | Very low | 37.1 | Very low | 73 Ų | 73 | 124.8 Ų | 124.8 | 75% | 0.753 | 72% | 0.724 | S | S | * | * | trans | 166.1 | 98.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 157 | S | 23.9 | Very low | 39.1 | Very low | 115 Ų | 115 | 125.8 Ų | 125.8 | 80% | 0.804 | 72% | 0.722 | S | S | * | * | trans | 55.4 | 97.6 | 164.1 | -159.9 | 0 | 0 | 0 | 0 | 117 | S159 | S157-S159 VanDerWaalsContact C-N 3.35Å; S157-S159 PolarHBondContact O-N 2.89Å | ||
| 158 | A | 27.9 | Very low | 40.8 | Very low | 92 Ų | 92 | 123.7 Ų | 123.7 | 76% | 0.76 | 70% | 0.704 | S | S | * | * | trans | -56 | 101.2 | 156 | 0 | 0 | 0 | 0 | 0 | 108.3 | T160 | A158-T160 PolarHBondContact O-N 3Š| ||
| 159 | S | 32.1 | Very low | 42.7 | Very low | 99 Ų | 99 | 120.4 Ų | 120.4 | 69% | 0.692 | 68% | 0.677 | S | S | * | * | trans | -67.3 | 87.2 | 169.3 | 55.1 | 0 | 0 | 0 | 0 | 107.6 | S157 H161 | S157-S159 VanDerWaalsContact C-N 3.35Å; S157-S159 PolarHBondContact O-N 2.89Å; S159-H161 VanDerWaalsContact C-N 3.34Å; S159-H161 PolarHBondContact O-N 3.47Å | ||
| 160 | T | 31.9 | Very low | 44.2 | Very low | 111 Ų | 111 | 114.4 Ų | 114.4 | 68% | 0.681 | 64% | 0.643 | S | S | * | * | trans | -52.7 | 103.8 | 163.4 | 47.3 | 0 | 0 | 0 | 0 | 106.6 | A158 K162 | A158-T160 PolarHBondContact O-N 3Å; T160-K162 PolarHBondContact O-N 2.8Å | ||
| 161 | H | 37.8 | Very low | 46.4 | Very low | 157 Ų | 157 | 117.9 Ų | 117.9 | 73% | 0.727 | 64% | 0.639 | S | S | * | * | trans | -61.2 | 86.5 | 169.3 | -107.9 | -70.7 | 0 | 0 | 0 | 106.9 | S159 R163 | S159-H161 VanDerWaalsContact C-N 3.34Å; S159-H161 PolarHBondContact O-N 3.47Å; H161-R163 PolarHBondContact O-N 2.67Å; H161-R163 VanDerWaalsContact O-N 3.08Å | ||
| 162 | K | 41.4 | Very low | 48.3 | Very low | 167 Ų | 167 | 111.4 Ų | 111.4 | 73% | 0.726 | 62% | 0.62 | S | S | * | * | trans | -60.5 | 116.8 | 173.3 | -83.8 | -177 | 177.3 | 177 | 0 | 106.1 | T160 | T160-K162 PolarHBondContact O-N 2.8Š| ||
| 163 | R | 51.9 | Low | 50.5 | Low | 229 Ų | 229 | 106.5 Ų | 106.5 | 86% | 0.864 | 58% | 0.584 | S | S | * | * | trans | -50.5 | 130 | 172.1 | -73.8 | -177.6 | 176.2 | 173 | 0.2 | 107.7 | H161 S165 | H161-R163 PolarHBondContact O-N 2.67Å; H161-R163 VanDerWaalsContact O-N 3.08Å; R163-S165 PolarHBondContact O-N 2.83Å | ||
| 164 | P | 57.9 | Low | 52.8 | Low | 55 Ų | 55 | 99.8 Ų | 99.8 | 36% | 0.357 | 56% | 0.563 | S | S | . | * | trans | -62.4 | 107.4 | -179.7 | 22.6 | -30.2 | 0 | 0 | 0 | 108.8 | A133 I169 | A133-P164 HydrophobicContact CB-CB 4Å; A133-P164 HydrophobicContact CB-CG 3.91Å; P164-I169 HydrophobicContact CB-CD1 4.16Å | ||
| 165 | S | 64.6 | Low | 55.2 | Low | 49 Ų | 49 | 102.9 Ų | 102.9 | 34% | 0.343 | 56% | 0.559 | S | S | . | * | trans | -83.1 | 137.9 | 174.8 | 178.7 | 0 | 0 | 0 | 0 | 109.3 | R163 T167 L168 I169 | R163-S165 PolarHBondContact O-N 2.83Å; S165-T167 PolarHBondContact O-N 3.34Å; S165-T167 VanDerWaalsContact O-N 3.15Å; S165-T167 PolarHBondContact OG-OG1 3.46Å; S165-L168 PolarHBondContact O-N 3.45Å; S165-I169 PolarHBondContact O-N 2.89Å; S165-I169 VanDerWaalsContact O-N 3.11Å | ||
| 166 | A | 64.4 | Low | 57.2 | Low | 25 Ų | 25 | 100.1 Ų | 100.1 | 21% | 0.207 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -52.5 | -37.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L130 I169 A170 | L130-A166 HydrophobicContact CD1-CB 3.84Å; A166-I169 PolarHBondContact O-N 3.35Å; A166-A170 VanDerWaalsContact O-CB 3.31Å; A166-A170 WeakPolarHBondContact O-CB 3.46Å; A166-A170 PolarHBondContact O-N 2.93Å |
| 167 | T | 71.3 | Confident | 59.4 | Low | 100 Ų | 100 | 100.6 Ų | 100.6 | 61% | 0.613 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -69.6 | -33.9 | 179.6 | 53.4 | 0 | 0 | 0 | 0 | 113.3 | S165 R171 | S165-T167 PolarHBondContact O-N 3.34Å; S165-T167 VanDerWaalsContact O-N 3.15Å; S165-T167 PolarHBondContact OG-OG1 3.46Å; T167-R171 VanDerWaalsContact O-CB 3.29Å; T167-R171 WeakPolarHBondContact O-CB 3.41Å; T167-R171 PolarHBondContact O-N 3.49Å |
| 168 | L | 72.6 | Confident | 62.1 | Low | 93 Ų | 93 | 96.5 Ų | 96.5 | 49% | 0.487 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -72.5 | -43 | 176.3 | -68.3 | 176.1 | 0 | 0 | 0 | 110.8 | S165 A170 R171 E172 | S165-L168 PolarHBondContact O-N 3.45Å; L168-A170 VanDerWaalsContact C-N 3.33Å; L168-A170 PolarHBondContact O-N 2.69Å; L168-R171 PolarHBondContact O-N 3.45Å; L168-E172 VanDerWaalsContact O-CB 3.29Å; L168-E172 WeakPolarHBondContact O-CB 3.11Å; L168-E172 PolarHBondContact O-N 3.09Å |
| 169 | I | 71.1 | Confident | 64.4 | Low | 33 Ų | 33 | 98.1 Ų | 98.1 | 17% | 0.169 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -60.8 | -45.5 | 174.4 | -63 | 174.1 | 0 | 0 | 0 | 110.1 | L126 Q129 L130 A133 P164 S165 A166 R171 E172 L173 | L126-I169 HydrophobicContact CD2-CG2 4.19Å; Q129-I169 HydrophobicContact CB-CD1 4.48Å; Q129-I169 HydrophobicContact CB-CG2 3.77Å; Q129-I169 HydrophobicContact CG-CG2 4.19Å; L130-I169 HydrophobicContact CB-CD1 4.3Å; L130-I169 HydrophobicContact CG-CD1 4.46Å; A133-I169 HydrophobicContact CB-CD1 4.42Å; P164-I169 HydrophobicContact CB-CD1 4.16Å; S165-I169 PolarHBondContact O-N 2.89Å; S165-I169 VanDerWaalsContact O-N 3.11Å; A166-I169 PolarHBondContact O-N 3.35Å; I169-R171 PolarHBondContact O-N 2.99Å; I169-E172 PolarHBondContact O-N 2.95Å; I169-L173 VanDerWaalsContact O-CB 3.24Å; I169-L173 WeakPolarHBondContact O-CB 3.32Å; I169-L173 PolarHBondContact O-N 2.94Å |
| 170 | A | 69.8 | Low | 66.3 | Low | 20 Ų | 20 | 97.1 Ų | 97.1 | 17% | 0.165 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -60.2 | -46.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L126 A166 L168 L173 L174 | L126-A170 HydrophobicContact CD1-CB 4.14Å; L126-A170 HydrophobicContact CD2-CB 3.65Å; A166-A170 VanDerWaalsContact O-CB 3.31Å; A166-A170 WeakPolarHBondContact O-CB 3.46Å; A166-A170 PolarHBondContact O-N 2.93Å; L168-A170 VanDerWaalsContact C-N 3.33Å; L168-A170 PolarHBondContact O-N 2.69Å; A170-L173 PolarHBondContact O-N 2.87Å; A170-L174 WeakPolarHBondContact O-CB 2.82Å; A170-L174 WeakPolarHBondContact O-CG 3.46Å; A170-L174 PolarHBondContact O-N 2.89Å |
| 171 | R | 77.2 | Confident | 68.1 | Low | 182 Ų | 182 | 91.9 Ų | 91.9 | 69% | 0.687 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -65.3 | -41.1 | 179.3 | -171.7 | 176.7 | -177.6 | 169.3 | 0.8 | 112.1 | T167 L168 I169 R175 | T167-R171 VanDerWaalsContact O-CB 3.29Å; T167-R171 WeakPolarHBondContact O-CB 3.41Å; T167-R171 PolarHBondContact O-N 3.49Å; L168-R171 PolarHBondContact O-N 3.45Å; I169-R171 PolarHBondContact O-N 2.99Å; R171-R175 WeakPolarHBondContact O-CB 3.45Å; R171-R175 PolarHBondContact O-N 3.26Å |
| 172 | E | 75.3 | Confident | 69.7 | Low | 113 Ų | 113 | 85.5 Ų | 85.5 | 53% | 0.528 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66.7 | -42.1 | 177.2 | -170.6 | 60 | -156.4 | 0 | 0 | 111.4 | L168 I169 R175 T176 | L168-E172 VanDerWaalsContact O-CB 3.29Å; L168-E172 WeakPolarHBondContact O-CB 3.11Å; L168-E172 PolarHBondContact O-N 3.09Å; I169-E172 PolarHBondContact O-N 2.95Å; E172-R175 PolarHBondContact O-N 2.83Å; E172-T176 WeakPolarHBondContact O-CB 3.28Å; E172-T176 WeakPolarHBondContact O-CG2 3.35Å; E172-T176 PolarHBondContact O-N 3.19Å; E172-T176 PolarHBondContact O-OG1 3.38Å |
| 173 | L | 72.1 | Confident | 71.2 | Confident | 14 Ų | 14 | 81.8 Ų | 81.8 | 7% | 0.073 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -66 | -42.6 | 177.8 | -169.8 | 64.9 | 0 | 0 | 0 | 111.7 | M125 I169 A170 R175 T176 Q177 G178 L182 L252 | M125-L173 HydrophobicContact CG-CD2 4.08Å; I169-L173 VanDerWaalsContact O-CB 3.24Å; I169-L173 WeakPolarHBondContact O-CB 3.32Å; I169-L173 PolarHBondContact O-N 2.94Å; A170-L173 PolarHBondContact O-N 2.87Å; L173-R175 VanDerWaalsContact C-N 3.3Å; L173-R175 PolarHBondContact O-N 2.88Å; L173-T176 PolarHBondContact O-N 3.37Å; L173-T176 PolarHBondContact O-OG1 3.37Å; L173-Q177 HydrophobicContact CD1-CB 4.39Å; L173-Q177 HydrophobicContact CD1-CG 4.46Å; L173-Q177 PolarHBondContact O-N 2.85Å; L173-G178 PolarHBondContact O-N 2.82Å; L173-L182 HydrophobicContact CB-CD1 4.39Å; L173-L182 HydrophobicContact CD2-CD1 3.86Å; L173-L182 HydrophobicContact CD2-CG 4.27Å; L173-L182 HydrophobicContact CG-CD1 4Å; L173-L252 HydrophobicContact CD1-CD1 3.78Å |
| 174 | L | 78.3 | Confident | 72.1 | Confident | 81 Ų | 81 | 75 Ų | 75 | 42% | 0.424 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.2 | -37.8 | 173.5 | -78 | 169.2 | 0 | 0 | 0 | 112 | A170 G178 L179 L182 | A170-L174 WeakPolarHBondContact O-CB 2.82Å; A170-L174 WeakPolarHBondContact O-CG 3.46Å; A170-L174 PolarHBondContact O-N 2.89Å; L174-G178 WeakPolarHBondContact O-CA 3.4Å; L174-G178 PolarHBondContact O-N 3.43Å; L174-G178 VanDerWaalsContact O-N 3.15Å; L174-L179 HydrophobicContact CD2-CG 4.47Å; L174-L182 HydrophobicContact CD2-CD1 3.59Å; L174-L182 HydrophobicContact CD2-CD2 4.09Å; L174-L182 HydrophobicContact CG-CD1 3.78Å; L174-L182 HydrophobicContact CG-CD2 4.4Å |
| 175 | R | 78.8 | Confident | 72.6 | Confident | 207 Ų | 207 | 73 Ų | 73 | 78% | 0.781 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -73.9 | -32.1 | -179.9 | -167.3 | 179.1 | -179.9 | 118.6 | 0.4 | 112.8 | R171 E172 L173 | R171-R175 WeakPolarHBondContact O-CB 3.45Å; R171-R175 PolarHBondContact O-N 3.26Å; E172-R175 PolarHBondContact O-N 2.83Å; L173-R175 VanDerWaalsContact C-N 3.3Å; L173-R175 PolarHBondContact O-N 2.88Å |
| 176 | T | 76.9 | Confident | 73.2 | Confident | 88 Ų | 88 | 72.8 Ų | 72.8 | 54% | 0.54 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -93.9 | -43.2 | -174.8 | 51.8 | 0 | 0 | 0 | 0 | 113.7 | E172 L173 | E172-T176 WeakPolarHBondContact O-CB 3.28Å; E172-T176 WeakPolarHBondContact O-CG2 3.35Å; E172-T176 PolarHBondContact O-N 3.19Å; E172-T176 PolarHBondContact O-OG1 3.38Å; L173-T176 PolarHBondContact O-N 3.37Å; L173-T176 PolarHBondContact O-OG1 3.37Å |
| 177 | Q | 71.3 | Confident | 73.7 | Confident | 83 Ų | 83 | 73.5 Ų | 73.5 | 39% | 0.388 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -118.6 | 1.1 | -175.2 | -64.2 | -166.2 | 4.4 | 0 | 0 | 113.4 | L173 G181 | L173-Q177 HydrophobicContact CD1-CB 4.39Å; L173-Q177 HydrophobicContact CD1-CG 4.46Å; L173-Q177 PolarHBondContact O-N 2.85Å; Q177-G181 PolarHBondContact O-N 2.93Å |
| 178 | G | 79 | Confident | 73.8 | Confident | 29 Ų | 29 | 69 Ų | 69 | 30% | 0.299 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | 62.8 | -158.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L173 L174 A180 G181 | L173-G178 PolarHBondContact O-N 2.82Å; L174-G178 WeakPolarHBondContact O-CA 3.4Å; L174-G178 PolarHBondContact O-N 3.43Å; L174-G178 VanDerWaalsContact O-N 3.15Å; G178-A180 VanDerWaalsContact C-N 3.28Å; G178-A180 PolarHBondContact O-N 3.21Å; G178-G181 PolarHBondContact O-N 3.5Å |
| 179 | L | 75.9 | Confident | 73.9 | Confident | 125 Ų | 125 | 64.6 Ų | 64.6 | 65% | 0.654 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -64 | -31.5 | 175.6 | -81.5 | 133.4 | 0 | 0 | 0 | 112.6 | L174 G181 L182 Y183 | L174-L179 HydrophobicContact CD2-CG 4.47Å; L179-G181 PolarHBondContact O-N 3.37Å; L179-L182 PolarHBondContact O-N 3.32Å; L179-L182 VanDerWaalsContact O-N 3.13Å; L179-Y183 WeakPolarHBondContact O-CD2 3.18Å; L179-Y183 PolarHBondContact O-N 2.9Å |
| 180 | A | 72.3 | Confident | 74.3 | Confident | 79 Ų | 79 | 64.8 Ų | 64.8 | 65% | 0.653 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -62.1 | -31.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G178 Y183 K184 | G178-A180 VanDerWaalsContact C-N 3.28Å; G178-A180 PolarHBondContact O-N 3.21Å; A180-Y183 PolarHBondContact O-N 3.47Å; A180-K184 PolarHBondContact O-N 3.33Å |
| 181 | G | 69.5 | Low | 74.7 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.01 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.8 | -37.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q177 G178 L179 Y183 K184 | Q177-G181 PolarHBondContact O-N 2.93Å; G178-G181 PolarHBondContact O-N 3.5Å; L179-G181 PolarHBondContact O-N 3.37Å; G181-Y183 VanDerWaalsContact C-N 3.35Å; G181-K184 WeakPolarHBondContact O-CB 3.38Å; G181-K184 PolarHBondContact O-N 3.01Å |
| 182 | L | 71.4 | Confident | 74.9 | Confident | 22 Ų | 22 | 60.1 Ų | 60.1 | 12% | 0.115 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -71.8 | -30.8 | 179.9 | -83.8 | 71.4 | 0 | 0 | 0 | 112.3 | P122 L173 L174 L179 | P122-L182 HydrophobicContact CB-CB 4.48Å; P122-L182 HydrophobicContact CB-CD2 4.22Å; L173-L182 HydrophobicContact CB-CD1 4.39Å; L173-L182 HydrophobicContact CD2-CD1 3.86Å; L173-L182 HydrophobicContact CD2-CG 4.27Å; L173-L182 HydrophobicContact CG-CD1 4Å; L174-L182 HydrophobicContact CD2-CD1 3.59Å; L174-L182 HydrophobicContact CD2-CD2 4.09Å; L174-L182 HydrophobicContact CG-CD1 3.78Å; L174-L182 HydrophobicContact CG-CD2 4.4Å; L179-L182 PolarHBondContact O-N 3.32Å; L179-L182 VanDerWaalsContact O-N 3.13Å |
| 183 | Y | 74.1 | Confident | 75 | Confident | 89 Ų | 89 | 55.7 Ų | 55.7 | 35% | 0.349 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 6.4 | 176.8 | -69.5 | -84.9 | 0 | 0 | 0 | 113.1 | V118 P122 L179 A180 G181 G185 L186 | V118-Y183 HydrophobicContact CG1-CE1 4.42Å; V118-Y183 WeakPolarHBondContact O-CE1 3.27Å; P122-Y183 HydrophobicContact CG-CE1 4.22Å; P122-Y183 HydrophobicContact CG-CE2 4.38Å; L179-Y183 WeakPolarHBondContact O-CD2 3.18Å; L179-Y183 PolarHBondContact O-N 2.9Å; A180-Y183 PolarHBondContact O-N 3.47Å; G181-Y183 VanDerWaalsContact C-N 3.35Å; Y183-G185 PolarHBondContact O-N 2.92Å; Y183-G185 VanDerWaalsContact O-N 3.16Å; Y183-L186 HydrophobicContact CD1-CD1 4.36Å; Y183-L186 HydrophobicContact CD1-CD2 4.15Å; Y183-L186 WeakPolarHBondContact O-CB 3.12Å; Y183-L186 PolarHBondContact O-N 3.45Å |
| 184 | K | 69.6 | Low | 75.4 | Confident | 86 Ų | 86 | 57.4 Ų | 57.4 | 37% | 0.374 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | 121.2 | 177.9 | -168.3 | 174.8 | 180 | 175.2 | 0 | 109.6 | M125 A180 G181 L252 | M125-K184 HydrophobicContact CE-CB 3.96Å; M125-K184 WeakPolarHBondContact CE-O 3.23Å; A180-K184 PolarHBondContact O-N 3.33Å; G181-K184 WeakPolarHBondContact O-CB 3.38Å; G181-K184 PolarHBondContact O-N 3.01Å; K184-L252 HydrophobicContact CD-CD2 3.99Å |
| 185 | G | 68.8 | Low | 75.7 | Confident | 14 Ų | 14 | 55.2 Ų | 55.2 | 14% | 0.144 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | 7.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y183 G187 A188 T189 Q250 | Y183-G185 PolarHBondContact O-N 2.92Å; Y183-G185 VanDerWaalsContact O-N 3.16Å; G185-G187 VanDerWaalsContact C-N 3.26Å; G185-G187 PolarHBondContact O-N 3.15Å; G185-A188 WeakPolarHBondContact O-CA 3.44Å; G185-A188 WeakPolarHBondContact O-CB 3.45Å; G185-A188 PolarHBondContact O-N 2.88Å; G185-T189 PolarHBondContact O-N 2.96Å; G185-T189 PolarHBondContact O-OG1 3.5Å; G185-Q250 PolarHBondContact O-NE2 2.99Å |
| 186 | L | 77.1 | Confident | 75.9 | Confident | 44 Ų | 44 | 47.1 Ų | 47.1 | 23% | 0.23 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -49.6 | -48.2 | 169.1 | 176.4 | 69.1 | 0 | 0 | 0 | 111.3 | V117 S121 Y183 A188 T189 L190 | V117-L186 HydrophobicContact CG1-CD1 3.53Å; S121-L186 WeakPolarHBondContact OG-CD1 3.32Å; Y183-L186 HydrophobicContact CD1-CD1 4.36Å; Y183-L186 HydrophobicContact CD1-CD2 4.15Å; Y183-L186 WeakPolarHBondContact O-CB 3.12Å; Y183-L186 PolarHBondContact O-N 3.45Å; L186-A188 VanDerWaalsContact C-N 3.27Å; L186-A188 PolarHBondContact O-N 3.41Å; L186-T189 WeakPolarHBondContact O-CB 3.36Å; L186-T189 PolarHBondContact O-N 3.29Å; L186-T189 VanDerWaalsContact O-N 3.09Å; L186-L190 HydrophobicContact CG-CD1 4.24Å; L186-L190 WeakPolarHBondContact O-CG 2.91Å; L186-L190 PolarHBondContact O-N 2.95Å |
| 187 | G | 76.2 | Confident | 75.9 | Confident | 41 Ų | 41 | 43.6 Ų | 43.6 | 42% | 0.423 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.6 | -35 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | G185 L190 L191 | G185-G187 VanDerWaalsContact C-N 3.26Å; G185-G187 PolarHBondContact O-N 3.15Å; G187-L190 PolarHBondContact O-N 3.39Å; G187-L191 WeakPolarHBondContact O-CB 3.47Å; G187-L191 PolarHBondContact O-N 3.21Å |
| 188 | A | 72.5 | Confident | 76.3 | Confident | 5 Ų | 5 | 43 Ų | 43 | 4% | 0.041 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -73.4 | -31.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | G185 L186 R192 K246 I264 | G185-A188 WeakPolarHBondContact O-CA 3.44Å; G185-A188 WeakPolarHBondContact O-CB 3.45Å; G185-A188 PolarHBondContact O-N 2.88Å; L186-A188 VanDerWaalsContact C-N 3.27Å; L186-A188 PolarHBondContact O-N 3.41Å; A188-R192 PolarHBondContact O-N 2.88Å; A188-K246 HydrophobicContact CB-CB 3.83Å; A188-K246 HydrophobicContact CB-CG 4.01Å; A188-I264 HydrophobicContact CB-CD1 4.22Å; A188-I264 HydrophobicContact CB-CG1 4.47Å |
| 189 | T | 73.8 | Confident | 76.6 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.8 | -46.3 | 170.2 | -55.2 | 0 | 0 | 0 | 0 | 111.9 | V117 G185 L186 L191 R192 D193 K246 Q250 | V117-T189 HydrophobicContact CB-CG2 4.2Å; V117-T189 HydrophobicContact CG1-CG2 3.47Å; V117-T189 VanDerWaalsContact CG1-CG2 3.47Å; V117-T189 HydrophobicContact CG2-CG2 3.66Å; G185-T189 PolarHBondContact O-N 2.96Å; G185-T189 PolarHBondContact O-OG1 3.5Å; L186-T189 WeakPolarHBondContact O-CB 3.36Å; L186-T189 PolarHBondContact O-N 3.29Å; L186-T189 VanDerWaalsContact O-N 3.09Å; T189-L191 VanDerWaalsContact C-N 3.34Å; T189-L191 PolarHBondContact O-N 2.89Å; T189-R192 WeakPolarHBondContact O-CB 3.35Å; T189-R192 PolarHBondContact O-N 3.4Å; T189-R192 VanDerWaalsContact O-N 3.13Å; T189-D193 PolarHBondContact O-N 3.32Å; T189-K246 WeakPolarHBondContact OG1-CE 3.44Å; T189-K246 PolarHBondContact OG1-NZ 3.48Å; T189-Q250 PolarHBondContact OG1-NE2 3.27Å |
| 190 | L | 79.5 | Confident | 76.9 | Confident | 38 Ų | 38 | 39.3 Ų | 39.3 | 20% | 0.199 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.4 | -43.2 | 176.9 | -70.6 | 175 | 0 | 0 | 0 | 111.6 | M114 V117 L186 G187 R192 D193 I194 | M114-L190 HydrophobicContact CB-CD2 4.29Å; M114-L190 HydrophobicContact CG-CD2 3.98Å; V117-L190 HydrophobicContact CB-CD2 3.73Å; V117-L190 HydrophobicContact CG1-CD2 3.59Å; V117-L190 HydrophobicContact CG1-CG 3.81Å; V117-L190 HydrophobicContact CG2-CD2 4.21Å; L186-L190 HydrophobicContact CG-CD1 4.24Å; L186-L190 WeakPolarHBondContact O-CG 2.91Å; L186-L190 PolarHBondContact O-N 2.95Å; G187-L190 PolarHBondContact O-N 3.39Å; L190-R192 PolarHBondContact O-N 3.05Å; L190-R192 VanDerWaalsContact O-N 3.16Å; L190-D193 PolarHBondContact O-N 3.44Å; L190-I194 HydrophobicContact CB-CD1 4.25Å; L190-I194 WeakPolarHBondContact O-CB 3.37Å; L190-I194 WeakPolarHBondContact O-CG1 3.38Å; L190-I194 PolarHBondContact O-N 2.88Å |
| 191 | L | 79.9 | Confident | 77.2 | Confident | 65 Ų | 65 | 37.2 Ų | 37.2 | 34% | 0.34 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -59 | -26.6 | 176.2 | -176.7 | 62.5 | 0 | 0 | 0 | 112.3 | G187 T189 P195 L242 I264 | G187-L191 WeakPolarHBondContact O-CB 3.47Å; G187-L191 PolarHBondContact O-N 3.21Å; T189-L191 VanDerWaalsContact C-N 3.34Å; T189-L191 PolarHBondContact O-N 2.89Å; L191-P195 WeakPolarHBondContact O-CD 3.26Å; L191-P195 WeakPolarHBondContact O-CG 3.38Å; L191-L242 HydrophobicContact CD2-CD2 4.03Å; L191-L242 HydrophobicContact CG-CD1 4.23Å; L191-L242 HydrophobicContact CG-CD2 4.05Å; L191-L242 WeakPolarHBondContact O-CD1 3.41Å; L191-I264 HydrophobicContact CD2-CD1 4.05Å; L191-I264 HydrophobicContact CD2-CG2 3.89Å |
| 192 | R | 81 | Confident | 77.7 | Confident | 38 Ų | 38 | 38 Ų | 38 | 14% | 0.143 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -84.7 | -50.3 | 174.8 | -176.6 | -161.3 | 66.5 | 177.5 | 0.8 | 112.2 | E124 A188 T189 L190 P195 F196 V239 D243 | E124-R192 IonicContact OE1-NH2 2.72Å; A188-R192 PolarHBondContact O-N 2.88Å; T189-R192 WeakPolarHBondContact O-CB 3.35Å; T189-R192 PolarHBondContact O-N 3.4Å; T189-R192 VanDerWaalsContact O-N 3.13Å; L190-R192 PolarHBondContact O-N 3.05Å; L190-R192 VanDerWaalsContact O-N 3.16Å; R192-P195 WeakPolarHBondContact O-CD 3.33Å; R192-F196 WeakPolarHBondContact O-CB 3.39Å; R192-F196 PolarHBondContact O-N 3.43Å; R192-F196 VanDerWaalsContact O-N 3.13Å; R192-V239 HydrophobicContact CB-CG1 4.21Å; R192-V239 HydrophobicContact CG-CG1 3.33Å; R192-V239 WeakPolarHBondContact O-CG1 3.22Å; R192-D243 WeakPolarHBondContact CD-OD1 3.48Å; R192-D243 WeakPolarHBondContact CD-OD2 3.43Å; R192-D243 VanDerWaalsContact CG-OD2 3.32Å; R192-D243 WeakPolarHBondContact CG-OD2 3.31Å; R192-D243 IonicContact NE-OD1 2.98Å; R192-D243 IonicContact NH1-OD1 2.69Å; R192-D243 PolarHBondContact NH1-OD1 3.36Å |
| 193 | D | 76.9 | Confident | 78.2 | Confident | 20 Ų | 20 | 39.4 Ų | 39.4 | 11% | 0.107 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.8 | -35.3 | -168.7 | -75.2 | 12.9 | 0 | 0 | 0 | 111.7 | V117 T189 L190 F196 S197 | V117-D193 HydrophobicContact CG2-CB 4.08Å; V117-D193 WeakPolarHBondContact CG2-OD2 3.41Å; T189-D193 PolarHBondContact O-N 3.32Å; L190-D193 PolarHBondContact O-N 3.44Å; D193-F196 PolarHBondContact O-N 3.37Å; D193-S197 PolarHBondContact O-N 3.23Å; D193-S197 PolarHBondContact O-OG 2.97Å |
| 194 | I | 80.8 | Confident | 78.5 | Confident | 51 Ų | 51 | 36.8 Ų | 36.8 | 26% | 0.262 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65.4 | -54.4 | 179.3 | -66.2 | 165.3 | 0 | 0 | 0 | 111.2 | M114 L190 F196 S197 I198 | M114-I194 HydrophobicContact CG-CD1 4.35Å; L190-I194 HydrophobicContact CB-CD1 4.25Å; L190-I194 WeakPolarHBondContact O-CB 3.37Å; L190-I194 WeakPolarHBondContact O-CG1 3.38Å; L190-I194 PolarHBondContact O-N 2.88Å; I194-F196 VanDerWaalsContact C-N 3.27Å; I194-F196 PolarHBondContact O-N 3.05Å; I194-S197 PolarHBondContact O-N 3.46Å; I194-I198 HydrophobicContact CG2-CD1 3.7Å; I194-I198 HydrophobicContact CG2-CG1 4.49Å; I194-I198 VanDerWaalsContact O-CG1 3.29Å; I194-I198 WeakPolarHBondContact O-CG1 3.29Å; I194-I198 PolarHBondContact O-N 3.49Å |
| 195 | P | 84.6 | Confident | 78.8 | Confident | 34 Ų | 34 | 34.4 Ų | 34.4 | 22% | 0.221 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.7 | -34.2 | 174.6 | -27.9 | 39.2 | 0 | 0 | 0 | 113.6 | L191 R192 I198 I199 V239 L242 | L191-P195 WeakPolarHBondContact O-CD 3.26Å; L191-P195 WeakPolarHBondContact O-CG 3.38Å; R192-P195 WeakPolarHBondContact O-CD 3.33Å; P195-I198 PolarHBondContact O-N 2.89Å; P195-I199 VanDerWaalsContact O-CG1 3.28Å; P195-I199 WeakPolarHBondContact O-CG1 3.36Å; P195-I199 PolarHBondContact O-N 2.95Å; P195-V239 HydrophobicContact CB-CG2 4.07Å; P195-L242 HydrophobicContact CB-CD1 4.22Å; P195-L242 HydrophobicContact CG-CD1 3.84Å |
| 196 | F | 83.3 | Confident | 79.4 | Confident | 37 Ų | 37 | 38.6 Ų | 38.6 | 16% | 0.162 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.2 | -49.9 | 175.8 | -177.5 | -91.7 | 0 | 0 | 0 | 111.2 | R192 D193 I194 I199 Y200 A235 V239 F295 | R192-F196 WeakPolarHBondContact O-CB 3.39Å; R192-F196 PolarHBondContact O-N 3.43Å; R192-F196 VanDerWaalsContact O-N 3.13Å; D193-F196 PolarHBondContact O-N 3.37Å; I194-F196 VanDerWaalsContact C-N 3.27Å; I194-F196 PolarHBondContact O-N 3.05Å; F196-I199 PolarHBondContact O-N 3.41Å; F196-Y200 HydrophobicContact CE1-CG 4.2Å; F196-Y200 HydrophobicContact CZ-CD2 4.28Å; F196-Y200 HydrophobicContact CZ-CG 4.38Å; F196-Y200 WeakPolarHBondContact O-CB 3.38Å; F196-Y200 PolarHBondContact O-N 3.46Å; F196-A235 HydrophobicContact CD2-CB 3.83Å; F196-A235 HydrophobicContact CE2-CB 3.66Å; F196-A235 HydrophobicContact CZ-CB 4.32Å; F196-V239 HydrophobicContact CB-CG1 4.5Å; F196-V239 HydrophobicContact CB-CG2 4.05Å; F196-F295 HydrophobicContact CE1-CZ 4.14Å; F196-F295 AromaticContact CZ-CE2 3.89Å; F196-F295 HydrophobicContact CZ-CE2 3.89Å; F196-F295 AromaticContact CZ-CZ 3.78Å; F196-F295 HydrophobicContact CZ-CZ 3.78Å |
| 197 | S | 76.1 | Confident | 79.6 | Confident | 15 Ų | 15 | 38.6 Ų | 38.6 | 11% | 0.105 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.7 | -42.4 | 177 | -67.4 | 0 | 0 | 0 | 0 | 112.3 | D193 I194 I199 Y200 F201 | D193-S197 PolarHBondContact O-N 3.23Å; D193-S197 PolarHBondContact O-OG 2.97Å; I194-S197 PolarHBondContact O-N 3.46Å; S197-I199 VanDerWaalsContact C-N 3.25Å; S197-I199 PolarHBondContact O-N 2.97Å; S197-Y200 PolarHBondContact O-N 3.41Å; S197-F201 VanDerWaalsContact O-CD2 3.29Å; S197-F201 WeakPolarHBondContact O-CD2 3.19Å; S197-F201 PolarHBondContact O-N 3.07Å; S197-F201 VanDerWaalsContact O-N 3.17Å |
| 198 | I | 80.9 | Confident | 79.6 | Confident | 71 Ų | 71 | 38.6 Ų | 38.6 | 36% | 0.364 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.5 | -35.1 | 178.6 | -74 | 170.4 | 0 | 0 | 0 | 112 | M106 I194 P195 P202 | M106-I198 HydrophobicContact CE-CB 4.03Å; M106-I198 HydrophobicContact CE-CG1 4.09Å; M106-I198 HydrophobicContact CE-CG2 3.6Å; I194-I198 HydrophobicContact CG2-CD1 3.7Å; I194-I198 HydrophobicContact CG2-CG1 4.49Å; I194-I198 VanDerWaalsContact O-CG1 3.29Å; I194-I198 WeakPolarHBondContact O-CG1 3.29Å; I194-I198 PolarHBondContact O-N 3.49Å; P195-I198 PolarHBondContact O-N 2.89Å; I198-P202 WeakPolarHBondContact O-CD 3.3Å; I198-P202 WeakPolarHBondContact O-CG 3.43Å |
| 199 | I | 85.3 | Confident | 79.9 | Confident | 55 Ų | 55 | 45.1 Ų | 45.1 | 28% | 0.282 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -88.4 | -43.4 | -179.3 | -62.2 | 167.7 | 0 | 0 | 0 | 110.7 | P195 F196 S197 L203 A235 A238 V239 | P195-I199 VanDerWaalsContact O-CG1 3.28Å; P195-I199 WeakPolarHBondContact O-CG1 3.36Å; P195-I199 PolarHBondContact O-N 2.95Å; F196-I199 PolarHBondContact O-N 3.41Å; S197-I199 VanDerWaalsContact C-N 3.25Å; S197-I199 PolarHBondContact O-N 2.97Å; I199-L203 WeakPolarHBondContact O-CB 3.3Å; I199-L203 PolarHBondContact O-N 2.84Å; I199-A235 HydrophobicContact CB-CB 4.18Å; I199-A235 HydrophobicContact CG2-CB 3.92Å; I199-A238 HydrophobicContact CD1-CB 3.57Å; I199-V239 HydrophobicContact CD1-CG2 4.38Å |
| 200 | Y | 82 | Confident | 80.1 | Confident | 20 Ų | 20 | 51.7 Ų | 51.7 | 8% | 0.078 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.6 | -53.3 | -173 | 174.5 | -97.2 | 0 | 0 | 0 | 112.8 | F196 S197 L203 F204 A231 F295 | F196-Y200 HydrophobicContact CE1-CG 4.2Å; F196-Y200 HydrophobicContact CZ-CD2 4.28Å; F196-Y200 HydrophobicContact CZ-CG 4.38Å; F196-Y200 WeakPolarHBondContact O-CB 3.38Å; F196-Y200 PolarHBondContact O-N 3.46Å; S197-Y200 PolarHBondContact O-N 3.41Å; Y200-L203 PolarHBondContact O-N 2.92Å; Y200-F204 HydrophobicContact CE1-CB 4.46Å; Y200-F204 VanDerWaalsContact O-CB 3.24Å; Y200-F204 WeakPolarHBondContact O-CB 3.19Å; Y200-F204 PolarHBondContact O-N 2.87Å; Y200-A231 HydrophobicContact CD2-CB 4.16Å; Y200-A231 HydrophobicContact CE2-CB 4.26Å; Y200-F295 HydrophobicContact CD2-CZ 4.48Å; Y200-F295 HydrophobicContact CE2-CD1 4.37Å; Y200-F295 HydrophobicContact CE2-CE1 4.08Å; Y200-F295 HydrophobicContact CE2-CE2 4.28Å; Y200-F295 HydrophobicContact CE2-CZ 4.04Å; Y200-F295 AromaticContact CZ-CE1 3.94Å |
| 201 | F | 78.3 | Confident | 79.5 | Confident | 35 Ų | 35 | 50.7 Ų | 50.7 | 15% | 0.154 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.7 | -47.6 | -172.6 | -72.9 | -68.9 | 0 | 0 | 0 | 112.7 | S197 L203 F204 A205 | S197-F201 VanDerWaalsContact O-CD2 3.29Å; S197-F201 WeakPolarHBondContact O-CD2 3.19Å; S197-F201 PolarHBondContact O-N 3.07Å; S197-F201 VanDerWaalsContact O-N 3.17Å; F201-L203 PolarHBondContact O-N 2.86Å; F201-F204 PolarHBondContact O-N 3.47Å; F201-A205 VanDerWaalsContact O-CB 3.31Å; F201-A205 WeakPolarHBondContact O-CB 3.49Å; F201-A205 PolarHBondContact O-N 2.88Å |
| 202 | P | 80.3 | Confident | 79 | Confident | 19 Ų | 19 | 52.4 Ų | 52.4 | 12% | 0.123 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 176.1 | -24.2 | 36.2 | 0 | 0 | 0 | 114.3 | L102 M106 I198 A205 N206 | L102-P202 HydrophobicContact CD1-CB 3.76Å; L102-P202 HydrophobicContact CD1-CG 3.86Å; L102-P202 HydrophobicContact CD2-CB 4.11Å; L102-P202 HydrophobicContact CD2-CG 4.49Å; L102-P202 HydrophobicContact CG-CB 4.33Å; L102-P202 HydrophobicContact CG-CG 4.32Å; M106-P202 HydrophobicContact CE-CG 4.03Å; M106-P202 HydrophobicContact CG-CG 3.89Å; M106-P202 HydrophobicContact SD-CG 3.69Å; I198-P202 WeakPolarHBondContact O-CD 3.3Å; I198-P202 WeakPolarHBondContact O-CG 3.43Å; P202-A205 PolarHBondContact O-N 3.41Å; P202-N206 WeakPolarHBondContact O-CB 3.28Å; P202-N206 PolarHBondContact O-N 3.01Å; P202-N206 PolarHBondContact O-ND2 3.16Å; P202-N206 VanDerWaalsContact O-ND2 3.1Å |
| 203 | L | 81.8 | Confident | 78.2 | Confident | 50 Ų | 50 | 55.6 Ų | 55.6 | 26% | 0.262 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -68.6 | -41.7 | -179 | -173.8 | 57.8 | 0 | 0 | 0 | 110.8 | I199 Y200 F201 L207 A231 V234 | I199-L203 WeakPolarHBondContact O-CB 3.3Å; I199-L203 PolarHBondContact O-N 2.84Å; Y200-L203 PolarHBondContact O-N 2.92Å; F201-L203 PolarHBondContact O-N 2.86Å; L203-L207 HydrophobicContact CD1-CD1 4.03Å; L203-L207 HydrophobicContact CD1-CG 4.21Å; L203-L207 HydrophobicContact CG-CD1 3.97Å; L203-L207 VanDerWaalsContact O-CB 3.28Å; L203-L207 WeakPolarHBondContact O-CB 3.41Å; L203-L207 WeakPolarHBondContact O-CG 3.49Å; L203-L207 PolarHBondContact O-N 3.28Å; L203-A231 HydrophobicContact CB-CB 4.1Å; L203-A231 HydrophobicContact CD2-CB 4.16Å; L203-A231 HydrophobicContact CG-CB 3.9Å; L203-V234 HydrophobicContact CD2-CB 3.6Å; L203-V234 HydrophobicContact CD2-CG1 3.63Å; L203-V234 HydrophobicContact CD2-CG2 4.13Å |
| 204 | F | 80.6 | Confident | 77.3 | Confident | 35 Ų | 35 | 63 Ų | 63 | 15% | 0.154 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.9 | -46.6 | 173.7 | 178.6 | -104.8 | 0 | 0 | 0 | 111.6 | Y200 F201 N206 L207 N208 S227 A231 | Y200-F204 HydrophobicContact CE1-CB 4.46Å; Y200-F204 VanDerWaalsContact O-CB 3.24Å; Y200-F204 WeakPolarHBondContact O-CB 3.19Å; Y200-F204 PolarHBondContact O-N 2.87Å; F201-F204 PolarHBondContact O-N 3.47Å; F204-N206 PolarHBondContact O-N 3.43Å; F204-L207 PolarHBondContact O-N 2.93Å; F204-N208 HydrophobicContact CZ-CB 4.4Å; F204-N208 WeakPolarHBondContact O-CB 3.27Å; F204-N208 PolarHBondContact O-N 3.47Å; F204-S227 WeakPolarHBondContact CE2-OG 3.27Å; F204-A231 HydrophobicContact CB-CB 3.96Å |
| 205 | A | 75.6 | Confident | 76 | Confident | 35 Ų | 35 | 69.1 Ų | 69.1 | 29% | 0.289 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.4 | -46.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | F201 P202 N208 H209 | F201-A205 VanDerWaalsContact O-CB 3.31Å; F201-A205 WeakPolarHBondContact O-CB 3.49Å; F201-A205 PolarHBondContact O-N 2.88Å; P202-A205 PolarHBondContact O-N 3.41Å; A205-N208 PolarHBondContact O-N 3.4Å; A205-H209 WeakPolarHBondContact O-CB 3.38Å; A205-H209 PolarHBondContact O-N 3.43Å |
| 206 | N | 81.8 | Confident | 74.7 | Confident | 102 Ų | 102 | 71 Ų | 71 | 55% | 0.545 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.4 | -48.3 | 177.6 | -78.6 | -43.6 | 0 | 0 | 0 | 111.9 | P202 F204 N208 H209 L210 | P202-N206 WeakPolarHBondContact O-CB 3.28Å; P202-N206 PolarHBondContact O-N 3.01Å; P202-N206 PolarHBondContact O-ND2 3.16Å; P202-N206 VanDerWaalsContact O-ND2 3.1Å; F204-N206 PolarHBondContact O-N 3.43Å; N206-N208 VanDerWaalsContact C-N 3.32Å; N206-N208 PolarHBondContact O-N 3.3Å; N206-H209 PolarHBondContact O-N 3.13Å; N206-L210 WeakPolarHBondContact O-CG 3.49Å; N206-L210 PolarHBondContact O-N 3.49Å |
| 207 | L | 81.2 | Confident | 73.5 | Confident | 45 Ų | 45 | 71.5 Ų | 71.5 | 24% | 0.236 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.9 | -39.4 | 178.9 | -71.2 | 174.2 | 0 | 0 | 0 | 111.5 | L203 F204 L210 H223 V230 A231 | L203-L207 HydrophobicContact CD1-CD1 4.03Å; L203-L207 HydrophobicContact CD1-CG 4.21Å; L203-L207 HydrophobicContact CG-CD1 3.97Å; L203-L207 VanDerWaalsContact O-CB 3.28Å; L203-L207 WeakPolarHBondContact O-CB 3.41Å; L203-L207 WeakPolarHBondContact O-CG 3.49Å; L203-L207 PolarHBondContact O-N 3.28Å; F204-L207 PolarHBondContact O-N 2.93Å; L207-L210 HydrophobicContact CD2-CD1 4.5Å; L207-L210 PolarHBondContact O-N 3.49Å; L207-H223 PolarHBondContact O-CE1 3.31Å; L207-V230 HydrophobicContact CD1-CB 4.03Å; L207-V230 HydrophobicContact CD1-CG1 3.73Å; L207-A231 HydrophobicContact CD1-CB 4.32Å |
| 208 | N | 76.1 | Confident | 72.7 | Confident | 40 Ų | 40 | 78.5 Ų | 78.5 | 21% | 0.214 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -72.3 | -31.7 | -179.2 | -156.6 | 39.4 | 0 | 0 | 0 | 112.6 | F204 A205 N206 L210 G211 A219 S224 | F204-N208 HydrophobicContact CZ-CB 4.4Å; F204-N208 WeakPolarHBondContact O-CB 3.27Å; F204-N208 PolarHBondContact O-N 3.47Å; A205-N208 PolarHBondContact O-N 3.4Å; N206-N208 VanDerWaalsContact C-N 3.32Å; N206-N208 PolarHBondContact O-N 3.3Å; N208-L210 VanDerWaalsContact C-N 3.3Å; N208-L210 PolarHBondContact O-N 2.98Å; N208-G211 PolarHBondContact O-N 2.72Å; N208-A219 WeakPolarHBondContact OD1-CB 3.43Å; N208-S224 WeakPolarHBondContact OD1-CA 3.39Å; N208-S224 PolarHBondContact OD1-OG 3.16Å |
| 209 | H | 77.4 | Confident | 71.7 | Confident | 142 Ų | 142 | 75.9 Ų | 75.9 | 66% | 0.657 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -64.5 | -33.6 | 175.1 | -170.7 | -109.4 | 0 | 0 | 0 | 112.3 | A205 N206 G211 F212 | A205-H209 WeakPolarHBondContact O-CB 3.38Å; A205-H209 PolarHBondContact O-N 3.43Å; N206-H209 PolarHBondContact O-N 3.13Å; H209-G211 PolarHBondContact O-N 3.32Å; H209-F212 VanDerWaalsContact O-CB 3.27Å; H209-F212 WeakPolarHBondContact O-CB 3.42Å; H209-F212 PolarHBondContact O-N 3Å |
| 210 | L | 78.6 | Confident | 71.2 | Confident | 138 Ų | 138 | 76.9 Ų | 76.9 | 72% | 0.723 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -65.1 | -23.9 | 177.8 | -67.4 | 171 | 0 | 0 | 0 | 113.9 | N206 L207 N208 | N206-L210 WeakPolarHBondContact O-CG 3.49Å; N206-L210 PolarHBondContact O-N 3.49Å; L207-L210 HydrophobicContact CD2-CD1 4.5Å; L207-L210 PolarHBondContact O-N 3.49Å; N208-L210 VanDerWaalsContact C-N 3.3Å; N208-L210 PolarHBondContact O-N 2.98Å |
| 211 | G | 66.9 | Low | 70.8 | Confident | 17 Ų | 17 | 79.1 Ų | 79.1 | 18% | 0.175 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | 16.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | N208 H209 N213 A219 H223 | N208-G211 PolarHBondContact O-N 2.72Å; H209-G211 PolarHBondContact O-N 3.32Å; G211-N213 PolarHBondContact O-N 3.09Å; G211-A219 WeakPolarHBondContact O-CA 3.08Å; G211-H223 WeakPolarHBondContact CA-CE1 3.36Å; G211-H223 WeakPolarHBondContact CA-ND1 3.16Å; G211-H223 WeakPolarHBondContact CA-NE2 3.41Å; G211-H223 PolarHBondContact N-CE1 2.94Å; G211-H223 VanDerWaalsContact N-CE1 3.26Å |
| 212 | F | 70.2 | Confident | 70.6 | Confident | 102 Ų | 102 | 80.2 Ų | 80.2 | 45% | 0.447 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 121.1 | 175.7 | -168.5 | -95.9 | 0 | 0 | 0 | 109.2 | H209 G217 | H209-F212 VanDerWaalsContact O-CB 3.27Å; H209-F212 WeakPolarHBondContact O-CB 3.42Å; H209-F212 PolarHBondContact O-N 3Å; F212-G217 WeakPolarHBondContact CE2-O 3.32Å |
| 213 | N | 63.8 | Low | 70.6 | Confident | 104 Ų | 104 | 82.8 Ų | 82.8 | 56% | 0.556 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107 | 114.2 | -179.9 | -135.6 | -4.2 | 0 | 0 | 0 | 108.5 | G211 L215 A216 G217 | G211-N213 PolarHBondContact O-N 3.09Å; N213-L215 PolarHBondContact O-N 3.33Å; N213-A216 PolarHBondContact O-N 3.34Å; N213-G217 PolarHBondContact O-N 3.24Å |
| 214 | E | 57 | Low | 70.4 | Confident | 177 Ų | 177 | 81.2 Ų | 81.2 | 83% | 0.827 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -30.7 | -170.8 | -138.7 | 174.7 | 177.6 | 0 | 0 | 112.6 | A216 | E214-A216 PolarHBondContact O-N 3.21Š|
| 215 | L | 53.6 | Low | 70.3 | Confident | 178 Ų | 178 | 83 Ų | 83 | 93% | 0.932 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -24.5 | 176 | -87.5 | 119.2 | 0 | 0 | 0 | 115 | N213 | N213-L215 PolarHBondContact O-N 3.33Š|
| 216 | A | 57.3 | Low | 70.7 | Confident | 73 Ų | 73 | 85.3 Ų | 85.3 | 60% | 0.603 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | -7.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | N213 E214 K218 | N213-A216 PolarHBondContact O-N 3.34Å; E214-A216 PolarHBondContact O-N 3.21Å; A216-K218 PolarHBondContact O-N 2.99Å |
| 217 | G | 59.3 | Low | 70.6 | Confident | 48 Ų | 48 | 80.6 Ų | 80.6 | 50% | 0.495 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | F212 N213 | F212-G217 WeakPolarHBondContact CE2-O 3.32Å; N213-G217 PolarHBondContact O-N 3.24Å |
| 218 | K | 58 | Low | 70.6 | Confident | 163 Ų | 163 | 78.5 Ų | 78.5 | 71% | 0.709 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 152 | -179.2 | -65.4 | -176.6 | -177.4 | 172.3 | 0 | 110 | A216 | A216-K218 PolarHBondContact O-N 2.99Å |
| 219 | A | 61.6 | Low | 70.8 | Confident | 16 Ų | 16 | 77.5 Ų | 77.5 | 13% | 0.132 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 142.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | N208 G211 | N208-A219 WeakPolarHBondContact OD1-CB 3.43Å; G211-A219 WeakPolarHBondContact O-CA 3.08Å |
| 220 | S | 74.4 | Confident | 71.2 | Confident | 75 Ų | 75 | 74 Ų | 74 | 52% | 0.524 | 42% | 0.417 | S | S | . | . | trans | -55.2 | 143 | 174.4 | 178.6 | 0 | 0 | 0 | 0 | 110.2 | A222 H223 S224 | S220-A222 PolarHBondContact O-N 3.15Å; S220-H223 WeakPolarHBondContact O-CA 3.48Å; S220-H223 WeakPolarHBondContact O-CB 3.01Å; S220-H223 PolarHBondContact O-N 3.24Å; S220-S224 PolarHBondContact O-N 3.35Å | ||
| 221 | F | 72.5 | Confident | 71.4 | Confident | 67 Ų | 67 | 67.4 Ų | 67.4 | 29% | 0.294 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -51.2 | -44.6 | 179.7 | 171 | -102.1 | 0 | 0 | 0 | 111.7 | H223 S224 F225 Q299 F303 | F221-H223 VanDerWaalsContact C-N 3.26Å; F221-H223 PolarHBondContact O-N 2.82Å; F221-S224 PolarHBondContact O-N 2.91Å; F221-F225 HydrophobicContact CZ-CD2 4.2Å; F221-F225 VanDerWaalsContact O-CB 3.23Å; F221-F225 WeakPolarHBondContact O-CB 3.44Å; F221-F225 PolarHBondContact O-N 2.87Å; F221-Q299 HydrophobicContact CE2-CB 4.29Å; F221-F303 HydrophobicContact CB-CD2 4.11Å; F221-F303 HydrophobicContact CB-CE1 4.46Å; F221-F303 HydrophobicContact CB-CE2 3.98Å; F221-F303 HydrophobicContact CB-CG 4.4Å; F221-F303 HydrophobicContact CB-CZ 4.17Å; F221-F303 HydrophobicContact CD2-CB 3.56Å; F221-F303 AromaticContact CD2-CD1 3.98Å; F221-F303 HydrophobicContact CD2-CD1 3.98Å; F221-F303 AromaticContact CD2-CD2 3.75Å; F221-F303 HydrophobicContact CD2-CD2 3.75Å; F221-F303 HydrophobicContact CD2-CE2 4.46Å; F221-F303 AromaticContact CD2-CG 3.47Å; F221-F303 HydrophobicContact CD2-CG 3.47Å; F221-F303 VanDerWaalsContact CD2-CG 3.47Å; F221-F303 HydrophobicContact CE2-CB 3.64Å; F221-F303 HydrophobicContact CE2-CD1 4.45Å; F221-F303 HydrophobicContact CE2-CG 4.02Å; F221-F303 HydrophobicContact CG-CD1 4.22Å; F221-F303 HydrophobicContact CG-CD2 4.24Å; F221-F303 HydrophobicContact CG-CE1 4.5Å; F221-F303 HydrophobicContact CG-CG 4.08Å |
| 222 | A | 75.8 | Confident | 72.2 | Confident | 58 Ų | 58 | 66.6 Ų | 66.6 | 48% | 0.479 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.5 | -37 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S220 F225 V226 | S220-A222 PolarHBondContact O-N 3.15Å; A222-F225 PolarHBondContact O-N 2.65Å; A222-V226 WeakPolarHBondContact O-CB 3.5Å; A222-V226 VanDerWaalsContact O-CG2 3.25Å; A222-V226 WeakPolarHBondContact O-CG2 3.05Å; A222-V226 PolarHBondContact O-N 2.95Å |
| 223 | H | 80.1 | Confident | 72.8 | Confident | 73 Ų | 73 | 63.1 Ų | 63.1 | 34% | 0.338 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -72.4 | -42.8 | 178.6 | -161.3 | -74.4 | 0 | 0 | 0 | 112.1 | L207 G211 S220 F221 F225 V226 S227 | L207-H223 PolarHBondContact O-CE1 3.31Å; G211-H223 WeakPolarHBondContact CA-CE1 3.36Å; G211-H223 WeakPolarHBondContact CA-ND1 3.16Å; G211-H223 WeakPolarHBondContact CA-NE2 3.41Å; G211-H223 PolarHBondContact N-CE1 2.94Å; G211-H223 VanDerWaalsContact N-CE1 3.26Å; S220-H223 WeakPolarHBondContact O-CA 3.48Å; S220-H223 WeakPolarHBondContact O-CB 3.01Å; S220-H223 PolarHBondContact O-N 3.24Å; F221-H223 VanDerWaalsContact C-N 3.26Å; F221-H223 PolarHBondContact O-N 2.82Å; H223-F225 VanDerWaalsContact C-N 3.28Å; H223-F225 PolarHBondContact O-N 2.81Å; H223-V226 PolarHBondContact O-N 2.99Å; H223-S227 VanDerWaalsContact O-CB 3.3Å; H223-S227 WeakPolarHBondContact O-CB 3.36Å; H223-S227 PolarHBondContact O-N 2.96Å; H223-S227 PolarHBondContact O-OG 3.35Å; H223-S227 VanDerWaalsContact O-OG 3.05Å |
| 224 | S | 76 | Confident | 74 | Confident | 17 Ų | 17 | 61.7 Ų | 61.7 | 12% | 0.119 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.9 | -34.5 | 174 | -65 | 0 | 0 | 0 | 0 | 112.1 | N208 S220 F221 S227 G228 | N208-S224 WeakPolarHBondContact OD1-CA 3.39Å; N208-S224 PolarHBondContact OD1-OG 3.16Å; S220-S224 PolarHBondContact O-N 3.35Å; F221-S224 PolarHBondContact O-N 2.91Å; S224-S227 WeakPolarHBondContact CA-OG 3.46Å; S224-S227 PolarHBondContact O-OG 3Å; S224-G228 PolarHBondContact O-N 2.66Å |
| 225 | F | 79.7 | Confident | 75.3 | Confident | 74 Ų | 74 | 53.2 Ų | 53.2 | 33% | 0.325 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.7 | -49.2 | 175.3 | 177.2 | -81.8 | 0 | 0 | 0 | 111.5 | F221 A222 H223 G228 C229 G296 | F221-F225 HydrophobicContact CZ-CD2 4.2Å; F221-F225 VanDerWaalsContact O-CB 3.23Å; F221-F225 WeakPolarHBondContact O-CB 3.44Å; F221-F225 PolarHBondContact O-N 2.87Å; A222-F225 PolarHBondContact O-N 2.65Å; H223-F225 VanDerWaalsContact C-N 3.28Å; H223-F225 PolarHBondContact O-N 2.81Å; F225-G228 PolarHBondContact O-N 2.58Å; F225-C229 VanDerWaalsContact CE1-SG 3.6Å; F225-C229 PolarHBondContact O-N 3.33Å; F225-C229 PolarHBondContact O-SG 2.85Å; F225-G296 WeakPolarHBondContact CD2-O 3.5Å; F225-G296 WeakPolarHBondContact CE2-O 3.32Å |
| 226 | V | 82.8 | Confident | 76.6 | Confident | 82 Ų | 82 | 44.8 Ų | 44.8 | 50% | 0.497 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.8 | -42.6 | -179.7 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | A222 H223 G228 C229 V230 | A222-V226 WeakPolarHBondContact O-CB 3.5Å; A222-V226 VanDerWaalsContact O-CG2 3.25Å; A222-V226 WeakPolarHBondContact O-CG2 3.05Å; A222-V226 PolarHBondContact O-N 2.95Å; H223-V226 PolarHBondContact O-N 2.99Å; V226-G228 VanDerWaalsContact C-N 3.33Å; V226-G228 PolarHBondContact O-N 3.36Å; V226-C229 PolarHBondContact O-N 3.37Å; V226-V230 HydrophobicContact CG1-CG2 4.24Å; V226-V230 WeakPolarHBondContact O-CB 3.35Å; V226-V230 VanDerWaalsContact O-CG2 3.3Å; V226-V230 WeakPolarHBondContact O-CG2 3.34Å; V226-V230 PolarHBondContact O-N 2.91Å |
| 227 | S | 81 | Confident | 78 | Confident | 4 Ų | 4 | 44 Ų | 44 | 3% | 0.028 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.1 | -41.5 | 176 | 66.1 | 0 | 0 | 0 | 0 | 111.7 | F204 H223 S224 V230 A231 | F204-S227 WeakPolarHBondContact CE2-OG 3.27Å; H223-S227 VanDerWaalsContact O-CB 3.3Å; H223-S227 WeakPolarHBondContact O-CB 3.36Å; H223-S227 PolarHBondContact O-N 2.96Å; H223-S227 PolarHBondContact O-OG 3.35Å; H223-S227 VanDerWaalsContact O-OG 3.05Å; S224-S227 WeakPolarHBondContact CA-OG 3.46Å; S224-S227 PolarHBondContact O-OG 3Å; S227-V230 PolarHBondContact O-N 3.16Å; S227-A231 WeakPolarHBondContact O-CB 3.14Å; S227-A231 PolarHBondContact O-N 3.35Å |
| 228 | G | 79.6 | Confident | 79.3 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62 | -45 | 173 | 0 | 0 | 0 | 0 | 0 | 113.2 | S224 F225 V226 G232 | S224-G228 PolarHBondContact O-N 2.66Å; F225-G228 PolarHBondContact O-N 2.58Å; V226-G228 VanDerWaalsContact C-N 3.33Å; V226-G228 PolarHBondContact O-N 3.36Å; G228-G232 WeakPolarHBondContact O-CA 3.17Å; G228-G232 PolarHBondContact O-N 2.87Å |
| 229 | C | 81.4 | Confident | 80.7 | Confident | 19 Ų | 19 | 36.6 Ų | 36.6 | 13% | 0.128 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.6 | -44.9 | 177 | -70.7 | 0 | 0 | 0 | 0 | 112.3 | F225 V226 S233 A292 | F225-C229 VanDerWaalsContact CE1-SG 3.6Å; F225-C229 PolarHBondContact O-N 3.33Å; F225-C229 PolarHBondContact O-SG 2.85Å; V226-C229 PolarHBondContact O-N 3.37Å; C229-S233 VanDerWaalsContact O-CB 3.27Å; C229-S233 WeakPolarHBondContact O-CB 3.46Å; C229-S233 PolarHBondContact O-N 3.06Å; C229-S233 PolarHBondContact O-OG 3.49Å; C229-A292 HydrophobicContact CB-CB 4.21Å; C229-A292 PolarHBondContact SG-O 3.41Å; C229-A292 VanDerWaalsContact SG-O 3.37Å |
| 230 | V | 86.2 | Confident | 81.7 | Confident | 68 Ų | 68 | 36 Ų | 36 | 41% | 0.412 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -68.1 | -51 | -179.9 | 173.3 | 0 | 0 | 0 | 0 | 110.3 | L207 V226 S227 G232 S233 V234 | L207-V230 HydrophobicContact CD1-CB 4.03Å; L207-V230 HydrophobicContact CD1-CG1 3.73Å; V226-V230 HydrophobicContact CG1-CG2 4.24Å; V226-V230 WeakPolarHBondContact O-CB 3.35Å; V226-V230 VanDerWaalsContact O-CG2 3.3Å; V226-V230 WeakPolarHBondContact O-CG2 3.34Å; V226-V230 PolarHBondContact O-N 2.91Å; S227-V230 PolarHBondContact O-N 3.16Å; V230-G232 VanDerWaalsContact C-N 3.34Å; V230-G232 PolarHBondContact O-N 3.05Å; V230-S233 PolarHBondContact O-N 3.3Å; V230-V234 WeakPolarHBondContact O-CG2 3.16Å; V230-V234 PolarHBondContact O-N 3.02Å |
| 231 | A | 83.1 | Confident | 82.1 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.2 | -44.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y200 L203 F204 L207 S227 S233 V234 A235 | Y200-A231 HydrophobicContact CD2-CB 4.16Å; Y200-A231 HydrophobicContact CE2-CB 4.26Å; L203-A231 HydrophobicContact CB-CB 4.1Å; L203-A231 HydrophobicContact CD2-CB 4.16Å; L203-A231 HydrophobicContact CG-CB 3.9Å; F204-A231 HydrophobicContact CB-CB 3.96Å; L207-A231 HydrophobicContact CD1-CB 4.32Å; S227-A231 WeakPolarHBondContact O-CB 3.14Å; S227-A231 PolarHBondContact O-N 3.35Å; A231-S233 PolarHBondContact O-N 3.45Å; A231-V234 PolarHBondContact O-N 3.43Å; A231-A235 VanDerWaalsContact O-CB 3.28Å; A231-A235 WeakPolarHBondContact O-CB 3.14Å; A231-A235 PolarHBondContact O-N 3.14Å |
| 232 | G | 82.4 | Confident | 82.7 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.8 | -41.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G228 V230 A236 | G228-G232 WeakPolarHBondContact O-CA 3.17Å; G228-G232 PolarHBondContact O-N 2.87Å; V230-G232 VanDerWaalsContact C-N 3.34Å; V230-G232 PolarHBondContact O-N 3.05Å; G232-A236 WeakPolarHBondContact O-CB 3.45Å; G232-A236 PolarHBondContact O-N 3.08Å |
| 233 | S | 83.6 | Confident | 82.7 | Confident | 29 Ų | 29 | 31 Ų | 31 | 20% | 0.203 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.4 | -44.7 | 178.3 | -61.9 | 0 | 0 | 0 | 0 | 112.2 | C229 V230 A231 A236 V237 | C229-S233 VanDerWaalsContact O-CB 3.27Å; C229-S233 WeakPolarHBondContact O-CB 3.46Å; C229-S233 PolarHBondContact O-N 3.06Å; C229-S233 PolarHBondContact O-OG 3.49Å; V230-S233 PolarHBondContact O-N 3.3Å; A231-S233 PolarHBondContact O-N 3.45Å; S233-A236 WeakPolarHBondContact O-CB 3.48Å; S233-A236 PolarHBondContact O-N 3.16Å; S233-V237 WeakPolarHBondContact O-CG2 3.29Å; S233-V237 PolarHBondContact O-N 3.4Å |
| 234 | V | 87.9 | Confident | 82.5 | Confident | 73 Ų | 73 | 28.3 Ų | 28.3 | 44% | 0.442 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -64.3 | -47.1 | 178.2 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | L203 V230 A231 A236 V237 A238 | L203-V234 HydrophobicContact CD2-CB 3.6Å; L203-V234 HydrophobicContact CD2-CG1 3.63Å; L203-V234 HydrophobicContact CD2-CG2 4.13Å; V230-V234 WeakPolarHBondContact O-CG2 3.16Å; V230-V234 PolarHBondContact O-N 3.02Å; A231-V234 PolarHBondContact O-N 3.43Å; V234-A236 VanDerWaalsContact C-N 3.31Å; V234-A236 PolarHBondContact O-N 2.89Å; V234-V237 PolarHBondContact O-N 3.13Å; V234-A238 WeakPolarHBondContact O-CB 3.49Å; V234-A238 PolarHBondContact O-N 3.25Å |
| 235 | A | 84.6 | Confident | 82.6 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.3 | -40.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | F196 I199 A231 V237 A238 V239 | F196-A235 HydrophobicContact CD2-CB 3.83Å; F196-A235 HydrophobicContact CE2-CB 3.66Å; F196-A235 HydrophobicContact CZ-CB 4.32Å; I199-A235 HydrophobicContact CB-CB 4.18Å; I199-A235 HydrophobicContact CG2-CB 3.92Å; A231-A235 VanDerWaalsContact O-CB 3.28Å; A231-A235 WeakPolarHBondContact O-CB 3.14Å; A231-A235 PolarHBondContact O-N 3.14Å; A235-V237 PolarHBondContact O-N 3.29Å; A235-A238 PolarHBondContact O-N 3.03Å; A235-V239 WeakPolarHBondContact O-CB 3.32Å; A235-V239 VanDerWaalsContact O-CG2 3.27Å; A235-V239 WeakPolarHBondContact O-CG2 3.46Å; A235-V239 PolarHBondContact O-N 3.28Å; A235-V239 VanDerWaalsContact O-N 3.07Å |
| 236 | A | 81.3 | Confident | 82.5 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.8 | -45.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | G232 S233 V234 T240 R287 I291 | G232-A236 WeakPolarHBondContact O-CB 3.45Å; G232-A236 PolarHBondContact O-N 3.08Å; S233-A236 WeakPolarHBondContact O-CB 3.48Å; S233-A236 PolarHBondContact O-N 3.16Å; V234-A236 VanDerWaalsContact C-N 3.31Å; V234-A236 PolarHBondContact O-N 2.89Å; A236-T240 PolarHBondContact O-N 2.93Å; A236-T240 VanDerWaalsContact O-N 3.17Å; A236-T240 PolarHBondContact O-OG1 3.44Å; A236-R287 HydrophobicContact CB-CG 4.17Å; A236-I291 HydrophobicContact CB-CB 4.31Å; A236-I291 HydrophobicContact CB-CD1 3.56Å; A236-I291 HydrophobicContact CB-CG1 4.41Å; A236-I291 HydrophobicContact CB-CG2 4.31Å |
| 237 | V | 86.4 | Confident | 82 | Confident | 57 Ų | 57 | 24.1 Ų | 24.1 | 35% | 0.345 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -66.8 | -46.8 | 179.1 | 172.1 | 0 | 0 | 0 | 0 | 110.3 | S233 V234 A235 V239 T240 A288 | S233-V237 WeakPolarHBondContact O-CG2 3.29Å; S233-V237 PolarHBondContact O-N 3.4Å; V234-V237 PolarHBondContact O-N 3.13Å; A235-V237 PolarHBondContact O-N 3.29Å; V237-V239 PolarHBondContact O-N 3.33Å; V237-T240 WeakPolarHBondContact O-CB 3.38Å; V237-T240 PolarHBondContact O-N 3.27Å; V237-T240 VanDerWaalsContact O-N 3.13Å; V237-T240 PolarHBondContact O-OG1 3.42Å; V237-A288 HydrophobicContact CG2-CB 4.26Å |
| 238 | A | 87.5 | Confident | 81.6 | Confident | 54 Ų | 54 | 28.7 Ų | 28.7 | 45% | 0.446 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -59.4 | -35.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | I199 V234 A235 | I199-A238 HydrophobicContact CD1-CB 3.57Å; V234-A238 WeakPolarHBondContact O-CB 3.49Å; V234-A238 PolarHBondContact O-N 3.25Å; A235-A238 PolarHBondContact O-N 3.03Å |
| 239 | V | 86.1 | Confident | 81.3 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -90.8 | -6.2 | -177.8 | 178.3 | 0 | 0 | 0 | 0 | 113 | R192 P195 F196 I199 A235 V237 P241 L242 D243 | R192-V239 HydrophobicContact CB-CG1 4.21Å; R192-V239 HydrophobicContact CG-CG1 3.33Å; R192-V239 WeakPolarHBondContact O-CG1 3.22Å; P195-V239 HydrophobicContact CB-CG2 4.07Å; F196-V239 HydrophobicContact CB-CG1 4.5Å; F196-V239 HydrophobicContact CB-CG2 4.05Å; I199-V239 HydrophobicContact CD1-CG2 4.38Å; A235-V239 WeakPolarHBondContact O-CB 3.32Å; A235-V239 VanDerWaalsContact O-CG2 3.27Å; A235-V239 WeakPolarHBondContact O-CG2 3.46Å; A235-V239 PolarHBondContact O-N 3.28Å; A235-V239 VanDerWaalsContact O-N 3.07Å; V237-V239 PolarHBondContact O-N 3.33Å; V239-P241 VanDerWaalsContact C-CD 3.45Å; V239-L242 HydrophobicContact CG1-CB 4.38Å; V239-L242 WeakPolarHBondContact O-CB 3.43Å; V239-L242 PolarHBondContact O-N 3.32Å; V239-D243 PolarHBondContact O-N 3.18Å |
| 240 | T | 83.3 | Confident | 80.5 | Confident | 4 Ų | 4 | 29.2 Ų | 29.2 | 3% | 0.025 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -53.6 | -41.9 | -177.8 | -64.2 | 0 | 0 | 0 | 0 | 114.2 | A236 V237 L242 D243 V244 A284 | A236-T240 PolarHBondContact O-N 2.93Å; A236-T240 VanDerWaalsContact O-N 3.17Å; A236-T240 PolarHBondContact O-OG1 3.44Å; V237-T240 WeakPolarHBondContact O-CB 3.38Å; V237-T240 PolarHBondContact O-N 3.27Å; V237-T240 VanDerWaalsContact O-N 3.13Å; V237-T240 PolarHBondContact O-OG1 3.42Å; T240-L242 VanDerWaalsContact C-N 3.25Å; T240-L242 PolarHBondContact O-N 3.26Å; T240-D243 WeakPolarHBondContact O-CB 3.46Å; T240-D243 PolarHBondContact O-N 3.41Å; T240-V244 HydrophobicContact CG2-CG2 4.41Å; T240-V244 WeakPolarHBondContact O-CG2 3.2Å; T240-V244 PolarHBondContact O-N 2.98Å; T240-A284 HydrophobicContact CG2-CB 3.89Å |
| 241 | P | 83.4 | Confident | 79.5 | Confident | 39 Ų | 39 | 28.2 Ų | 28.2 | 25% | 0.253 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -56.3 | -38.7 | 176.1 | -28 | 37.4 | 0 | 0 | 0 | 113.6 | V239 V244 L245 F280 | V239-P241 VanDerWaalsContact C-CD 3.45Å; P241-V244 PolarHBondContact O-N 3.03Å; P241-L245 WeakPolarHBondContact O-CG 3.4Å; P241-L245 PolarHBondContact O-N 3.47Å; P241-F280 WeakPolarHBondContact CA-O 3.19Å; P241-F280 HydrophobicContact CB-CB 4.09Å; P241-F280 HydrophobicContact CB-CD1 4.15Å; P241-F280 HydrophobicContact CG-CB 4.41Å |
| 242 | L | 84.3 | Confident | 78 | Confident | 40 Ų | 40 | 30.5 Ų | 30.5 | 21% | 0.209 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -74.3 | -34 | -178.1 | -52.9 | 178.8 | 0 | 0 | 0 | 111.1 | L191 P195 V239 T240 L245 K246 | L191-L242 HydrophobicContact CD2-CD2 4.03Å; L191-L242 HydrophobicContact CG-CD1 4.23Å; L191-L242 HydrophobicContact CG-CD2 4.05Å; L191-L242 WeakPolarHBondContact O-CD1 3.41Å; P195-L242 HydrophobicContact CB-CD1 4.22Å; P195-L242 HydrophobicContact CG-CD1 3.84Å; V239-L242 HydrophobicContact CG1-CB 4.38Å; V239-L242 WeakPolarHBondContact O-CB 3.43Å; V239-L242 PolarHBondContact O-N 3.32Å; T240-L242 VanDerWaalsContact C-N 3.25Å; T240-L242 PolarHBondContact O-N 3.26Å; L242-L245 PolarHBondContact O-N 2.8Å; L242-K246 WeakPolarHBondContact O-CB 3.46Å; L242-K246 PolarHBondContact O-N 3.48Å |
| 243 | D | 76.6 | Confident | 76.4 | Confident | 15 Ų | 15 | 37.4 Ų | 37.4 | 8% | 0.08 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65 | -41 | 170.8 | -87.4 | -83.6 | 0 | 0 | 0 | 113.3 | R192 V239 T240 L245 K246 T247 R287 | R192-D243 WeakPolarHBondContact CD-OD1 3.48Å; R192-D243 WeakPolarHBondContact CD-OD2 3.43Å; R192-D243 VanDerWaalsContact CG-OD2 3.32Å; R192-D243 WeakPolarHBondContact CG-OD2 3.31Å; R192-D243 IonicContact NE-OD1 2.98Å; R192-D243 IonicContact NH1-OD1 2.69Å; R192-D243 PolarHBondContact NH1-OD1 3.36Å; V239-D243 PolarHBondContact O-N 3.18Å; T240-D243 WeakPolarHBondContact O-CB 3.46Å; T240-D243 PolarHBondContact O-N 3.41Å; D243-L245 VanDerWaalsContact C-N 3.32Å; D243-L245 PolarHBondContact O-N 3.43Å; D243-K246 PolarHBondContact O-N 3.47Å; D243-T247 WeakPolarHBondContact O-CB 3.41Å; D243-T247 WeakPolarHBondContact O-CG2 3.36Å; D243-T247 PolarHBondContact O-N 3.17Å; D243-T247 PolarHBondContact O-OG1 3.26Å; D243-R287 VanDerWaalsContact CG-CZ 3.42Å; D243-R287 IonicContact OD1-CZ 2.98Å; D243-R287 IonicContact OD1-NH1 3.59Å; D243-R287 PolarHBondContact OD1-NH1 2.9Å; D243-R287 IonicContact OD1-NH2 2.77Å; D243-R287 IonicContact OD2-CZ 3.99Å; D243-R287 IonicContact OD2-NE 2.77Å; D243-R287 IonicContact OD2-NH1 3.88Å; D243-R287 PolarHBondContact OD2-NH1 2.89Å; D243-R287 IonicContact OD2-NH2 3.59Å; D243-R287 PolarHBondContact OD2-NH2 3.33Å |
| 244 | V | 75.3 | Confident | 74.8 | Confident | 17 Ų | 17 | 38.8 Ų | 38.8 | 10% | 0.103 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.8 | -46 | 176.2 | 173.7 | 0 | 0 | 0 | 0 | 109.7 | T240 P241 T247 R248 L271 F280 | T240-V244 HydrophobicContact CG2-CG2 4.41Å; T240-V244 WeakPolarHBondContact O-CG2 3.2Å; T240-V244 PolarHBondContact O-N 2.98Å; P241-V244 PolarHBondContact O-N 3.03Å; V244-T247 PolarHBondContact O-N 3.47Å; V244-T247 PolarHBondContact O-OG1 3.41Å; V244-R248 HydrophobicContact CG1-CG 4.36Å; V244-R248 WeakPolarHBondContact O-CB 3.38Å; V244-R248 WeakPolarHBondContact O-CG 3.14Å; V244-R248 PolarHBondContact O-N 3.13Å; V244-L271 HydrophobicContact CG1-CD2 3.81Å; V244-F280 WeakPolarHBondContact CG2-O 3.48Å |
| 245 | L | 78.3 | Confident | 72.6 | Confident | 11 Ų | 11 | 37.4 Ų | 37.4 | 6% | 0.058 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.2 | -47.3 | 175.9 | -66.8 | 173.5 | 0 | 0 | 0 | 112.3 | P241 L242 D243 T247 R248 I249 I264 C267 A268 L271 F280 | P241-L245 WeakPolarHBondContact O-CG 3.4Å; P241-L245 PolarHBondContact O-N 3.47Å; L242-L245 PolarHBondContact O-N 2.8Å; D243-L245 VanDerWaalsContact C-N 3.32Å; D243-L245 PolarHBondContact O-N 3.43Å; L245-T247 PolarHBondContact O-N 2.86Å; L245-R248 PolarHBondContact O-N 3.33Å; L245-I249 WeakPolarHBondContact O-CD1 3.16Å; L245-I249 VanDerWaalsContact O-CG1 3.28Å; L245-I249 WeakPolarHBondContact O-CG1 3.28Å; L245-I249 PolarHBondContact O-N 2.95Å; L245-I249 VanDerWaalsContact O-N 3.09Å; L245-I264 HydrophobicContact CD1-CG2 4.23Å; L245-C267 HydrophobicContact CD2-CB 4.3Å; L245-A268 HydrophobicContact CD1-CB 4.16Å; L245-A268 HydrophobicContact CD2-CB 3.85Å; L245-L271 HydrophobicContact CD2-CD2 4.18Å; L245-F280 HydrophobicContact CD1-CE1 4.3Å; L245-F280 HydrophobicContact CD2-CE1 3.95Å; L245-F280 HydrophobicContact CG-CE1 4.21Å |
| 246 | K | 77.7 | Confident | 70.1 | Confident | 5 Ų | 5 | 46.7 Ų | 46.7 | 2% | 0.022 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -55.6 | -52.5 | 177.2 | 173.8 | -176 | 173.2 | 167 | 0 | 111.6 | E124 A188 T189 L242 D243 R248 I249 Q250 | E124-K246 IonicContact OE2-NZ 2.84Å; E124-K246 PolarHBondContact OE2-NZ 3.35Å; A188-K246 HydrophobicContact CB-CB 3.83Å; A188-K246 HydrophobicContact CB-CG 4.01Å; T189-K246 WeakPolarHBondContact OG1-CE 3.44Å; T189-K246 PolarHBondContact OG1-NZ 3.48Å; L242-K246 WeakPolarHBondContact O-CB 3.46Å; L242-K246 PolarHBondContact O-N 3.48Å; D243-K246 PolarHBondContact O-N 3.47Å; K246-R248 VanDerWaalsContact C-N 3.35Å; K246-R248 PolarHBondContact O-N 3.4Å; K246-I249 PolarHBondContact O-N 2.84Å; K246-Q250 HydrophobicContact CG-CG 4.42Å; K246-Q250 WeakPolarHBondContact O-CB 3.28Å; K246-Q250 WeakPolarHBondContact O-CG 3.24Å; K246-Q250 PolarHBondContact O-N 3.3Å |
| 247 | T | 71.8 | Confident | 68.6 | Low | 70 Ų | 70 | 50.9 Ų | 50.9 | 43% | 0.429 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.7 | -42 | -176.8 | 50.6 | 0 | 0 | 0 | 0 | 111.4 | D243 V244 L245 I249 Q250 T251 | D243-T247 WeakPolarHBondContact O-CB 3.41Å; D243-T247 WeakPolarHBondContact O-CG2 3.36Å; D243-T247 PolarHBondContact O-N 3.17Å; D243-T247 PolarHBondContact O-OG1 3.26Å; V244-T247 PolarHBondContact O-N 3.47Å; V244-T247 PolarHBondContact O-OG1 3.41Å; L245-T247 PolarHBondContact O-N 2.86Å; T247-I249 VanDerWaalsContact C-N 3.33Å; T247-I249 PolarHBondContact O-N 3.33Å; T247-Q250 PolarHBondContact O-N 3.06Å; T247-T251 PolarHBondContact O-N 3.3Å; T247-T251 PolarHBondContact O-OG1 3.02Å |
| 248 | R | 72.5 | Confident | 67.1 | Low | 99 Ų | 99 | 53.5 Ų | 53.5 | 37% | 0.374 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.6 | -30.3 | 177.4 | -69.4 | -65.1 | -161.1 | -168.4 | 7.9 | 114.2 | V244 L245 K246 Y261 E275 | V244-R248 HydrophobicContact CG1-CG 4.36Å; V244-R248 WeakPolarHBondContact O-CB 3.38Å; V244-R248 WeakPolarHBondContact O-CG 3.14Å; V244-R248 PolarHBondContact O-N 3.13Å; L245-R248 PolarHBondContact O-N 3.33Å; K246-R248 VanDerWaalsContact C-N 3.35Å; K246-R248 PolarHBondContact O-N 3.4Å; R248-Y261 HydrophobicContact CB-CE2 4.08Å; R248-E275 IonicContact CZ-OE1 3.85Å; R248-E275 IonicContact NE-OE1 3.34Å; R248-E275 IonicContact NH2-OE1 2.83Å; R248-E275 PolarHBondContact NH2-OE1 3.02Å; R248-E275 IonicContact NH2-OE2 2.8Å |
| 249 | I | 73.8 | Confident | 65.6 | Low | 26 Ų | 26 | 53.8 Ų | 53.8 | 13% | 0.133 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -82.6 | -33.4 | 178.4 | -68.3 | 166.5 | 0 | 0 | 0 | 111.9 | L245 K246 T247 Y261 I264 C267 | L245-I249 WeakPolarHBondContact O-CD1 3.16Å; L245-I249 VanDerWaalsContact O-CG1 3.28Å; L245-I249 WeakPolarHBondContact O-CG1 3.28Å; L245-I249 PolarHBondContact O-N 2.95Å; L245-I249 VanDerWaalsContact O-N 3.09Å; K246-I249 PolarHBondContact O-N 2.84Å; T247-I249 VanDerWaalsContact C-N 3.33Å; T247-I249 PolarHBondContact O-N 3.33Å; I249-Y261 HydrophobicContact CG1-CD2 4.49Å; I249-I264 HydrophobicContact CD1-CB 4.2Å; I249-I264 HydrophobicContact CD1-CG1 3.76Å; I249-C267 HydrophobicContact CD1-CB 3.86Å; I249-C267 HydrophobicContact CG1-CB 3.82Å |
| 250 | Q | 64.7 | Low | 64.3 | Low | 5 Ų | 5 | 59.4 Ų | 59.4 | 2% | 0.023 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -81.6 | -14.7 | -177.8 | -72.6 | -178.1 | -30.3 | 0 | 0 | 113.8 | M125 I128 G185 T189 K246 T247 L252 | M125-Q250 HydrophobicContact CE-CG 4.42Å; I128-Q250 HydrophobicContact CD1-CB 4.14Å; G185-Q250 PolarHBondContact O-NE2 2.99Å; T189-Q250 PolarHBondContact OG1-NE2 3.27Å; K246-Q250 HydrophobicContact CG-CG 4.42Å; K246-Q250 WeakPolarHBondContact O-CB 3.28Å; K246-Q250 WeakPolarHBondContact O-CG 3.24Å; K246-Q250 PolarHBondContact O-N 3.3Å; T247-Q250 PolarHBondContact O-N 3.06Å; Q250-L252 PolarHBondContact O-N 3.03Å; Q250-L252 VanDerWaalsContact O-N 3.13Å |
| 251 | T | 65.1 | Low | 63.6 | Low | 47 Ų | 47 | 61 Ų | 61 | 29% | 0.288 | 34% | 0.344 | S | S | . | . | trans | -69.3 | 105.8 | 170.7 | -54 | 0 | 0 | 0 | 0 | 110.2 | T247 | T247-T251 PolarHBondContact O-N 3.3Å; T247-T251 PolarHBondContact O-OG1 3.02Å | ||
| 252 | L | 51.4 | Low | 62.7 | Low | 48 Ų | 48 | 64.8 Ų | 64.8 | 25% | 0.251 | 37% | 0.371 | S | S | . | . | trans | -82.1 | -28.3 | -176.8 | -78.6 | 178.4 | 0 | 0 | 0 | 113.7 | M125 Q129 L173 K184 Q250 | M125-L252 HydrophobicContact SD-CD1 4.42Å; Q129-L252 VanDerWaalsContact NE2-CG 3.32Å; L173-L252 HydrophobicContact CD1-CD1 3.78Å; K184-L252 HydrophobicContact CD-CD2 3.99Å; Q250-L252 PolarHBondContact O-N 3.03Å; Q250-L252 VanDerWaalsContact O-N 3.13Å | ||
| 253 | K | 49.6 | Very low | 62.2 | Low | 145 Ų | 145 | 64 Ų | 64 | 63% | 0.63 | 37% | 0.373 | S | S | * | . | trans | -100.8 | 98.7 | -179.6 | -78.7 | -171.7 | 176.7 | -176.6 | 0 | 109.8 | L136 | L136-K253 HydrophobicContact CD1-CD 3.89Š| ||
| 254 | K | 49.9 | Very low | 62.3 | Low | 58 Ų | 58 | 66 Ų | 66 | 25% | 0.252 | 38% | 0.383 | S | S | . | . | trans | -98.2 | 128.9 | 169.7 | -84.3 | -175.4 | -176.3 | -162.2 | 0 | 108.3 | E258 D259 | K254-E258 WeakPolarHBondContact CA-OE2 3.15Å; K254-E258 HydrophobicContact CB-CB 3.48Å; K254-E258 VanDerWaalsContact CB-CB 3.48Å; K254-E258 WeakPolarHBondContact CB-OE2 3.46Å; K254-E258 HydrophobicContact CD-CB 3.95Å; K254-E258 HydrophobicContact CG-CB 3.79Å; K254-E258 WeakPolarHBondContact CG-OE2 2.94Å; K254-D259 WeakPolarHBondContact CD-O 3.11Å; K254-D259 WeakPolarHBondContact CE-O 3.29Å; K254-D259 PolarHBondContact NZ-O 3.28Å | ||
| 255 | G | 42.3 | Very low | 62.6 | Low | 45 Ų | 45 | 70.9 Ų | 70.9 | 46% | 0.464 | 41% | 0.413 | S | S | . | . | trans | -55.9 | 163.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | G257 E258 | G255-G257 PolarHBondContact O-N 3.5Å; G255-E258 PolarHBondContact N-OE2 2.9Å; G255-E258 PolarHBondContact O-N 3.49Å | ||
| 256 | L | 32.1 | Very low | 62.7 | Low | 194 Ų | 194 | 72.3 Ų | 72.3 | 100% | 1.016 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 115.6 | 173.8 | -87.4 | 95.9 | 0 | 0 | 0 | 109.4 | ||
| 257 | G | 49.8 | Very low | 62.7 | Low | 89 Ų | 89 | 72.1 Ų | 72.1 | 92% | 0.918 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.5 | 0.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | G255 | G255-G257 PolarHBondContact O-N 3.5Š|
| 258 | E | 54.1 | Low | 63.2 | Low | 112 Ų | 112 | 70 Ų | 70 | 52% | 0.523 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -89.6 | 132.4 | 176.9 | -86.9 | -175.5 | 147.8 | 0 | 0 | 112.7 | K254 G255 V260 | K254-E258 WeakPolarHBondContact CA-OE2 3.15Å; K254-E258 HydrophobicContact CB-CB 3.48Å; K254-E258 VanDerWaalsContact CB-CB 3.48Å; K254-E258 WeakPolarHBondContact CB-OE2 3.46Å; K254-E258 HydrophobicContact CD-CB 3.95Å; K254-E258 HydrophobicContact CG-CB 3.79Å; K254-E258 WeakPolarHBondContact CG-OE2 2.94Å; G255-E258 PolarHBondContact N-OE2 2.9Å; G255-E258 PolarHBondContact O-N 3.49Å; E258-V260 PolarHBondContact O-N 2.87Å |
| 259 | D | 55.1 | Low | 63.8 | Low | 60 Ų | 60 | 73.8 Ų | 73.8 | 32% | 0.321 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 122.7 | -172.7 | -97.1 | -56.7 | 0 | 0 | 0 | 114.3 | K254 Y261 K270 Q274 | K254-D259 WeakPolarHBondContact CD-O 3.11Å; K254-D259 WeakPolarHBondContact CE-O 3.29Å; K254-D259 PolarHBondContact NZ-O 3.28Å; D259-Y261 HydrophobicContact CB-CE1 4.22Å; D259-K270 HydrophobicContact CB-CD 4.33Å; D259-K270 IonicContact OD1-NZ 2.72Å; D259-K270 PolarHBondContact OD1-NZ 3.07Å; D259-Q274 PolarHBondContact OD2-NE2 3.31Å |
| 260 | V | 60.2 | Low | 64 | Low | 119 Ų | 119 | 74.9 Ų | 74.9 | 72% | 0.721 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -73.6 | 131.7 | 166.7 | -177.5 | 0 | 0 | 0 | 0 | 108.7 | E258 K270 | E258-V260 PolarHBondContact O-N 2.87Å; V260-K270 PolarHBondContact O-NZ 3.2Å |
| 261 | Y | 67.2 | Low | 64.8 | Low | 37 Ų | 37 | 74.7 Ų | 74.7 | 15% | 0.145 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -97.4 | 123.5 | 175.3 | -61 | -53.5 | 0 | 0 | 0 | 109.6 | R248 I249 D259 G263 D266 C267 K270 | R248-Y261 HydrophobicContact CB-CE2 4.08Å; I249-Y261 HydrophobicContact CG1-CD2 4.49Å; D259-Y261 HydrophobicContact CB-CE1 4.22Å; Y261-G263 VanDerWaalsContact C-N 3.33Å; Y261-D266 WeakPolarHBondContact CA-OD2 3.41Å; Y261-C267 HydrophobicContact CD1-CB 3.9Å; Y261-C267 HydrophobicContact CD2-CB 4.09Å; Y261-C267 HydrophobicContact CE1-CB 4.39Å; Y261-C267 HydrophobicContact CG-CB 3.77Å; Y261-K270 HydrophobicContact CD1-CD 3.85Å; Y261-K270 HydrophobicContact CE1-CB 3.88Å; Y261-K270 HydrophobicContact CE1-CD 3.68Å; Y261-K270 HydrophobicContact CE1-CG 4.39Å |
| 262 | S | 65.9 | Low | 65.6 | Low | 118 Ų | 118 | 79.9 Ų | 79.9 | 83% | 0.825 | 44% | 0.441 | S | S | * | . | trans | -76.3 | -24.3 | 178 | -173.3 | 0 | 0 | 0 | 0 | 112 | D266 | S262-D266 PolarHBondContact N-OD2 3.35Š| ||
| 263 | G | 72.9 | Confident | 67.1 | Low | 25 Ų | 25 | 83.6 Ų | 83.6 | 26% | 0.258 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -174.3 | -174.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y261 D266 C267 | Y261-G263 VanDerWaalsContact C-N 3.33Å; G263-D266 PolarHBondContact O-N 2.92Å; G263-C267 WeakPolarHBondContact O-CB 3.2Å; G263-C267 PolarHBondContact O-N 2.95Å |
| 264 | I | 78.5 | Confident | 68.5 | Low | 56 Ų | 56 | 82 Ų | 82 | 29% | 0.287 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.4 | -42.6 | -178.3 | -59.7 | 171.9 | 0 | 0 | 0 | 111.4 | A188 L191 L245 I249 C267 A268 | A188-I264 HydrophobicContact CB-CD1 4.22Å; A188-I264 HydrophobicContact CB-CG1 4.47Å; L191-I264 HydrophobicContact CD2-CD1 4.05Å; L191-I264 HydrophobicContact CD2-CG2 3.89Å; L245-I264 HydrophobicContact CD1-CG2 4.23Å; I249-I264 HydrophobicContact CD1-CB 4.2Å; I249-I264 HydrophobicContact CD1-CG1 3.76Å; I264-C267 PolarHBondContact O-N 2.88Å; I264-A268 WeakPolarHBondContact O-CB 3.06Å; I264-A268 PolarHBondContact O-N 3.34Å |
| 265 | T | 80.9 | Confident | 69.6 | Low | 119 Ų | 119 | 82.1 Ų | 82.1 | 73% | 0.73 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -69.1 | -39.2 | -179.4 | 51.8 | 0 | 0 | 0 | 0 | 112.4 | A268 R269 | T265-A268 PolarHBondContact O-N 3.48Å; T265-R269 WeakPolarHBondContact O-CB 3.32Å; T265-R269 PolarHBondContact O-N 2.87Å |
| 266 | D | 81.9 | Confident | 71.5 | Confident | 42 Ų | 42 | 80.9 Ų | 80.9 | 23% | 0.225 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -66 | -44.9 | 174.5 | 179.8 | 47.3 | 0 | 0 | 0 | 111.2 | Y261 S262 G263 A268 R269 K270 | Y261-D266 WeakPolarHBondContact CA-OD2 3.41Å; S262-D266 PolarHBondContact N-OD2 3.35Å; G263-D266 PolarHBondContact O-N 2.92Å; D266-A268 PolarHBondContact O-N 2.99Å; D266-R269 PolarHBondContact O-N 3.4Å; D266-K270 WeakPolarHBondContact O-CB 3.12Å; D266-K270 WeakPolarHBondContact O-CG 3.36Å; D266-K270 PolarHBondContact O-N 3.46Å; D266-K270 WeakPolarHBondContact OD1-CE 3.46Å |
| 267 | C | 77.3 | Confident | 73.8 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -59.7 | -46.1 | 173.7 | -172.6 | 0 | 0 | 0 | 0 | 111.8 | L245 I249 Y261 G263 I264 R269 K270 L271 | L245-C267 HydrophobicContact CD2-CB 4.3Å; I249-C267 HydrophobicContact CD1-CB 3.86Å; I249-C267 HydrophobicContact CG1-CB 3.82Å; Y261-C267 HydrophobicContact CD1-CB 3.9Å; Y261-C267 HydrophobicContact CD2-CB 4.09Å; Y261-C267 HydrophobicContact CE1-CB 4.39Å; Y261-C267 HydrophobicContact CG-CB 3.77Å; G263-C267 WeakPolarHBondContact O-CB 3.2Å; G263-C267 PolarHBondContact O-N 2.95Å; I264-C267 PolarHBondContact O-N 2.88Å; C267-R269 PolarHBondContact O-N 3.32Å; C267-K270 PolarHBondContact O-N 3.48Å; C267-L271 WeakPolarHBondContact O-CB 3.2Å; C267-L271 PolarHBondContact O-N 3.37Å |
| 268 | A | 82.3 | Confident | 75 | Confident | 26 Ų | 26 | 75.2 Ų | 75.2 | 22% | 0.215 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L245 I264 T265 D266 W272 F280 | L245-A268 HydrophobicContact CD1-CB 4.16Å; L245-A268 HydrophobicContact CD2-CB 3.85Å; I264-A268 WeakPolarHBondContact O-CB 3.06Å; I264-A268 PolarHBondContact O-N 3.34Å; T265-A268 PolarHBondContact O-N 3.48Å; D266-A268 PolarHBondContact O-N 2.99Å; A268-W272 WeakPolarHBondContact O-CB 3.22Å; A268-W272 PolarHBondContact O-N 3.02Å; A268-F280 HydrophobicContact CB-CE1 4.48Å |
| 269 | R | 83.9 | Confident | 75.8 | Confident | 179 Ų | 179 | 70 Ų | 70 | 68% | 0.675 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -63.2 | -51.4 | 177.2 | -177.5 | -175.5 | -66.2 | -171.9 | -1.2 | 111.6 | T265 D266 C267 L271 W272 I273 | T265-R269 WeakPolarHBondContact O-CB 3.32Å; T265-R269 PolarHBondContact O-N 2.87Å; D266-R269 PolarHBondContact O-N 3.4Å; C267-R269 PolarHBondContact O-N 3.32Å; R269-L271 VanDerWaalsContact C-N 3.34Å; R269-L271 PolarHBondContact O-N 3.28Å; R269-W272 PolarHBondContact O-N 3.25Å; R269-I273 HydrophobicContact CG-CD1 3.79Å; R269-I273 WeakPolarHBondContact O-CG1 3.47Å; R269-I273 PolarHBondContact O-N 3.29Å |
| 270 | K | 80.1 | Confident | 76.9 | Confident | 48 Ų | 48 | 68.2 Ų | 68.2 | 21% | 0.209 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 179.7 | -73.1 | -176.1 | 179.8 | -169.3 | 0 | 111.4 | D259 V260 Y261 D266 C267 W272 I273 Q274 | D259-K270 HydrophobicContact CB-CD 4.33Å; D259-K270 IonicContact OD1-NZ 2.72Å; D259-K270 PolarHBondContact OD1-NZ 3.07Å; V260-K270 PolarHBondContact O-NZ 3.2Å; Y261-K270 HydrophobicContact CD1-CD 3.85Å; Y261-K270 HydrophobicContact CE1-CB 3.88Å; Y261-K270 HydrophobicContact CE1-CD 3.68Å; Y261-K270 HydrophobicContact CE1-CG 4.39Å; D266-K270 WeakPolarHBondContact O-CB 3.12Å; D266-K270 WeakPolarHBondContact O-CG 3.36Å; D266-K270 PolarHBondContact O-N 3.46Å; D266-K270 WeakPolarHBondContact OD1-CE 3.46Å; C267-K270 PolarHBondContact O-N 3.48Å; K270-W272 PolarHBondContact O-N 2.96Å; K270-I273 PolarHBondContact O-N 2.87Å; K270-Q274 VanDerWaalsContact O-CB 3.25Å; K270-Q274 WeakPolarHBondContact O-CB 3.4Å; K270-Q274 VanDerWaalsContact O-CG 3.3Å; K270-Q274 WeakPolarHBondContact O-CG 3.29Å; K270-Q274 PolarHBondContact O-N 3.44Å |
| 271 | L | 79.9 | Confident | 77.9 | Confident | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 177.2 | -173.1 | 65.1 | 0 | 0 | 0 | 112 | V244 L245 C267 R269 E275 G276 A279 F280 | V244-L271 HydrophobicContact CG1-CD2 3.81Å; L245-L271 HydrophobicContact CD2-CD2 4.18Å; C267-L271 WeakPolarHBondContact O-CB 3.2Å; C267-L271 PolarHBondContact O-N 3.37Å; R269-L271 VanDerWaalsContact C-N 3.34Å; R269-L271 PolarHBondContact O-N 3.28Å; L271-E275 HydrophobicContact CD1-CB 3.96Å; L271-E275 HydrophobicContact CD1-CG 3.9Å; L271-E275 WeakPolarHBondContact CD1-OE1 3.49Å; L271-E275 PolarHBondContact O-N 3.02Å; L271-G276 PolarHBondContact O-N 2.87Å; L271-A279 HydrophobicContact CD1-CB 3.88Å; L271-A279 HydrophobicContact CG-CB 4.15Å; L271-F280 HydrophobicContact CB-CE2 4.36Å; L271-F280 HydrophobicContact CB-CZ 4.09Å; L271-F280 HydrophobicContact CD2-CD1 3.96Å; L271-F280 HydrophobicContact CD2-CD2 4.2Å; L271-F280 HydrophobicContact CD2-CE1 3.76Å; L271-F280 HydrophobicContact CD2-CE2 3.98Å; L271-F280 HydrophobicContact CD2-CG 4.2Å; L271-F280 HydrophobicContact CD2-CZ 3.77Å; L271-F280 HydrophobicContact CG-CD2 4.47Å; L271-F280 HydrophobicContact CG-CE2 4.01Å; L271-F280 HydrophobicContact CG-CZ 4.06Å |
| 272 | W | 82.3 | Confident | 78 | Confident | 156 Ų | 156 | 71.7 Ų | 71.7 | 59% | 0.591 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -62.2 | -43 | 177.1 | -173.4 | -83.8 | 0 | 0 | 0 | 112.4 | A268 R269 K270 G276 P277 F280 | A268-W272 WeakPolarHBondContact O-CB 3.22Å; A268-W272 PolarHBondContact O-N 3.02Å; R269-W272 PolarHBondContact O-N 3.25Å; K270-W272 PolarHBondContact O-N 2.96Å; W272-G276 VanDerWaalsContact O-CA 3.31Å; W272-G276 WeakPolarHBondContact O-CA 3.3Å; W272-G276 PolarHBondContact O-N 3.17Å; W272-P277 HydrophobicContact CE3-CB 4.35Å; W272-P277 HydrophobicContact CH2-CB 3.86Å; W272-P277 HydrophobicContact CZ2-CB 4.44Å; W272-P277 HydrophobicContact CZ3-CB 3.8Å; W272-F280 HydrophobicContact CB-CE2 4.19Å; W272-F280 HydrophobicContact CB-CZ 4.41Å; W272-F280 HydrophobicContact CE3-CD2 4.34Å; W272-F280 AromaticContact CE3-CE2 3.71Å; W272-F280 HydrophobicContact CE3-CE2 3.71Å; W272-F280 HydrophobicContact CE3-CZ 4.31Å |
| 273 | I | 82.1 | Confident | 78.2 | Confident | 127 Ų | 127 | 67 Ų | 67 | 65% | 0.651 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -75.6 | -41.3 | -177.3 | -65.2 | 169.9 | 0 | 0 | 0 | 111.6 | R269 K270 | R269-I273 HydrophobicContact CG-CD1 3.79Å; R269-I273 WeakPolarHBondContact O-CG1 3.47Å; R269-I273 PolarHBondContact O-N 3.29Å; K270-I273 PolarHBondContact O-N 2.87Å |
| 274 | Q | 79.9 | Confident | 78.2 | Confident | 110 Ų | 110 | 66.2 Ų | 66.2 | 51% | 0.514 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -88.8 | -41.9 | -171.7 | -65.4 | 175.3 | -6.7 | 0 | 0 | 113.6 | D259 K270 | D259-Q274 PolarHBondContact OD2-NE2 3.31Å; K270-Q274 VanDerWaalsContact O-CB 3.25Å; K270-Q274 WeakPolarHBondContact O-CB 3.4Å; K270-Q274 VanDerWaalsContact O-CG 3.3Å; K270-Q274 WeakPolarHBondContact O-CG 3.29Å; K270-Q274 PolarHBondContact O-N 3.44Å |
| 275 | E | 74.1 | Confident | 78 | Confident | 62 Ų | 62 | 65.9 Ų | 65.9 | 29% | 0.29 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | -13.2 | -175.7 | -61.2 | -166.4 | -142.3 | 0 | 0 | 113.6 | R248 L271 A279 K282 | R248-E275 IonicContact CZ-OE1 3.85Å; R248-E275 IonicContact NE-OE1 3.34Å; R248-E275 IonicContact NH2-OE1 2.83Å; R248-E275 PolarHBondContact NH2-OE1 3.02Å; R248-E275 IonicContact NH2-OE2 2.8Å; L271-E275 HydrophobicContact CD1-CB 3.96Å; L271-E275 HydrophobicContact CD1-CG 3.9Å; L271-E275 WeakPolarHBondContact CD1-OE1 3.49Å; L271-E275 PolarHBondContact O-N 3.02Å; E275-A279 HydrophobicContact CB-CB 3.44Å; E275-A279 VanDerWaalsContact CB-CB 3.44Å; E275-A279 HydrophobicContact CG-CB 4.42Å; E275-K282 IonicContact OE2-NZ 3.21Å; E275-K282 PolarHBondContact OE2-NZ 2.98Å |
| 276 | G | 81 | Confident | 77.3 | Confident | 18 Ų | 18 | 61.1 Ų | 61.1 | 19% | 0.186 | 32% | 0.321 | C | S | . | . | trans | 80.1 | 177 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | L271 W272 S278 A279 | L271-G276 PolarHBondContact O-N 2.87Å; W272-G276 VanDerWaalsContact O-CA 3.31Å; W272-G276 WeakPolarHBondContact O-CA 3.3Å; W272-G276 PolarHBondContact O-N 3.17Å; G276-S278 VanDerWaalsContact C-N 3.31Å; G276-S278 PolarHBondContact O-N 3.36Å; G276-A279 VanDerWaalsContact O-CB 3.28Å; G276-A279 WeakPolarHBondContact O-CB 3.45Å; G276-A279 PolarHBondContact O-N 3.43Å | ||
| 277 | P | 79.9 | Confident | 76.8 | Confident | 80 Ų | 80 | 60.8 Ų | 60.8 | 52% | 0.519 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -66.9 | -27.6 | -174.5 | 24.5 | -33.7 | 0 | 0 | 0 | 113.8 | W272 A279 F280 | W272-P277 HydrophobicContact CE3-CB 4.35Å; W272-P277 HydrophobicContact CH2-CB 3.86Å; W272-P277 HydrophobicContact CZ2-CB 4.44Å; W272-P277 HydrophobicContact CZ3-CB 3.8Å; P277-A279 PolarHBondContact O-N 3.33Å; P277-F280 PolarHBondContact O-N 3.46Å |
| 278 | S | 75.5 | Confident | 76.7 | Confident | 85 Ų | 85 | 61.7 Ų | 61.7 | 59% | 0.594 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -66.7 | -21.2 | 178.3 | 61.9 | 0 | 0 | 0 | 0 | 112.8 | G276 F280 M281 K282 | G276-S278 VanDerWaalsContact C-N 3.31Å; G276-S278 PolarHBondContact O-N 3.36Å; S278-F280 VanDerWaalsContact C-N 3.31Å; S278-F280 PolarHBondContact O-N 3.1Å; S278-M281 PolarHBondContact O-N 3.44Å; S278-K282 PolarHBondContact O-N 3.2Å |
| 279 | A | 71.8 | Confident | 76.2 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.008 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -64.8 | -33.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L271 E275 G276 P277 M281 K282 | L271-A279 HydrophobicContact CD1-CB 3.88Å; L271-A279 HydrophobicContact CG-CB 4.15Å; E275-A279 HydrophobicContact CB-CB 3.44Å; E275-A279 VanDerWaalsContact CB-CB 3.44Å; E275-A279 HydrophobicContact CG-CB 4.42Å; G276-A279 VanDerWaalsContact O-CB 3.28Å; G276-A279 WeakPolarHBondContact O-CB 3.45Å; G276-A279 PolarHBondContact O-N 3.43Å; P277-A279 PolarHBondContact O-N 3.33Å; A279-M281 PolarHBondContact O-N 3.05Å; A279-K282 HydrophobicContact CB-CD 4.42Å; A279-K282 WeakPolarHBondContact O-CB 3.37Å; A279-K282 PolarHBondContact O-N 3.29Å |
| 280 | F | 78.4 | Confident | 75.6 | Confident | 23 Ų | 23 | 57.1 Ų | 57.1 | 10% | 0.101 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -66.8 | -25.8 | 178.8 | -70.8 | -93 | 0 | 0 | 0 | 113.1 | P241 V244 L245 A268 L271 W272 P277 S278 | P241-F280 WeakPolarHBondContact CA-O 3.19Å; P241-F280 HydrophobicContact CB-CB 4.09Å; P241-F280 HydrophobicContact CB-CD1 4.15Å; P241-F280 HydrophobicContact CG-CB 4.41Å; V244-F280 WeakPolarHBondContact CG2-O 3.48Å; L245-F280 HydrophobicContact CD1-CE1 4.3Å; L245-F280 HydrophobicContact CD2-CE1 3.95Å; L245-F280 HydrophobicContact CG-CE1 4.21Å; A268-F280 HydrophobicContact CB-CE1 4.48Å; L271-F280 HydrophobicContact CB-CE2 4.36Å; L271-F280 HydrophobicContact CB-CZ 4.09Å; L271-F280 HydrophobicContact CD2-CD1 3.96Å; L271-F280 HydrophobicContact CD2-CD2 4.2Å; L271-F280 HydrophobicContact CD2-CE1 3.76Å; L271-F280 HydrophobicContact CD2-CE2 3.98Å; L271-F280 HydrophobicContact CD2-CG 4.2Å; L271-F280 HydrophobicContact CD2-CZ 3.77Å; L271-F280 HydrophobicContact CG-CD2 4.47Å; L271-F280 HydrophobicContact CG-CE2 4.01Å; L271-F280 HydrophobicContact CG-CZ 4.06Å; W272-F280 HydrophobicContact CB-CE2 4.19Å; W272-F280 HydrophobicContact CB-CZ 4.41Å; W272-F280 HydrophobicContact CE3-CD2 4.34Å; W272-F280 AromaticContact CE3-CE2 3.71Å; W272-F280 HydrophobicContact CE3-CE2 3.71Å; W272-F280 HydrophobicContact CE3-CZ 4.31Å; P277-F280 PolarHBondContact O-N 3.46Å; S278-F280 VanDerWaalsContact C-N 3.31Å; S278-F280 PolarHBondContact O-N 3.1Å |
| 281 | M | 80.4 | Confident | 75.2 | Confident | 113 Ų | 113 | 55.7 Ų | 55.7 | 56% | 0.557 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -99.5 | 2.3 | 178.2 | -73.2 | -166.1 | 59 | 0 | 0 | 113.5 | S278 A279 G283 A284 | S278-M281 PolarHBondContact O-N 3.44Å; A279-M281 PolarHBondContact O-N 3.05Å; M281-G283 PolarHBondContact O-N 2.98Å; M281-A284 HydrophobicContact CE-CB 4.24Å; M281-A284 WeakPolarHBondContact O-CB 3.42Å; M281-A284 PolarHBondContact O-N 2.9Å |
| 282 | K | 69.9 | Low | 74.8 | Confident | 117 Ų | 117 | 56.7 Ų | 56.7 | 51% | 0.509 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 115.9 | 176.6 | -78.9 | 177.3 | -174.8 | 170.4 | 0 | 109.6 | E275 S278 A279 | E275-K282 IonicContact OE2-NZ 3.21Å; E275-K282 PolarHBondContact OE2-NZ 2.98Å; S278-K282 PolarHBondContact O-N 3.2Å; A279-K282 HydrophobicContact CB-CD 4.42Å; A279-K282 WeakPolarHBondContact O-CB 3.37Å; A279-K282 PolarHBondContact O-N 3.29Å |
| 283 | G | 69.9 | Low | 74.4 | Confident | 20 Ų | 20 | 51.2 Ų | 51.2 | 21% | 0.206 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93 | 4.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | M281 C286 R287 | M281-G283 PolarHBondContact O-N 2.98Å; G283-C286 PolarHBondContact O-N 2.87Å; G283-R287 WeakPolarHBondContact O-CB 3.41Å; G283-R287 PolarHBondContact O-N 3.45Å |
| 284 | A | 73 | Confident | 73.8 | Confident | 7 Ų | 7 | 47.8 Ų | 47.8 | 6% | 0.058 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -55.8 | -50.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | T240 M281 C286 R287 A288 | T240-A284 HydrophobicContact CG2-CB 3.89Å; M281-A284 HydrophobicContact CE-CB 4.24Å; M281-A284 WeakPolarHBondContact O-CB 3.42Å; M281-A284 PolarHBondContact O-N 2.9Å; A284-C286 PolarHBondContact O-N 3.33Å; A284-R287 WeakPolarHBondContact O-CB 3.41Å; A284-R287 PolarHBondContact O-N 3.45Å; A284-R287 VanDerWaalsContact O-N 3.07Å; A284-A288 PolarHBondContact O-N 2.98Å |
| 285 | G | 73 | Confident | 73.2 | Confident | 49 Ų | 49 | 44.7 Ų | 44.7 | 51% | 0.505 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.5 | -42.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R287 A288 L289 | G285-R287 VanDerWaalsContact C-N 3.25Å; G285-R287 PolarHBondContact O-N 2.93Å; G285-A288 PolarHBondContact O-N 3.33Å; G285-L289 WeakPolarHBondContact O-CG 3.18Å; G285-L289 PolarHBondContact O-N 3.22Å; G285-L289 VanDerWaalsContact O-N 3.1Å |
| 286 | C | 67.5 | Low | 72.9 | Confident | 19 Ų | 19 | 41.9 Ų | 41.9 | 13% | 0.128 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.1 | -29.7 | 175.7 | -57.2 | 0 | 0 | 0 | 0 | 112.5 | K33 M48 G283 A284 V290 | K33-C286 HydrophobicContact CB-CB 4.11Å; K33-C286 HydrophobicContact CD-CB 3.59Å; K33-C286 HydrophobicContact CG-CB 3.54Å; M48-C286 HydrophobicContact CE-CB 4.02Å; G283-C286 PolarHBondContact O-N 2.87Å; A284-C286 PolarHBondContact O-N 3.33Å; C286-V290 VanDerWaalsContact O-CG2 3.28Å; C286-V290 WeakPolarHBondContact O-CG2 3.27Å; C286-V290 PolarHBondContact O-N 2.83Å |
| 287 | R | 70.1 | Confident | 72.4 | Confident | 35 Ų | 35 | 42.7 Ų | 42.7 | 13% | 0.132 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -73.4 | -43.7 | 177.2 | -168.5 | -172.3 | 168.7 | 99.6 | -10.2 | 111.4 | A236 D243 G283 A284 G285 L289 V290 I291 | A236-R287 HydrophobicContact CB-CG 4.17Å; D243-R287 VanDerWaalsContact CG-CZ 3.42Å; D243-R287 IonicContact OD1-CZ 2.98Å; D243-R287 IonicContact OD1-NH1 3.59Å; D243-R287 PolarHBondContact OD1-NH1 2.9Å; D243-R287 IonicContact OD1-NH2 2.77Å; D243-R287 IonicContact OD2-CZ 3.99Å; D243-R287 IonicContact OD2-NE 2.77Å; D243-R287 IonicContact OD2-NH1 3.88Å; D243-R287 PolarHBondContact OD2-NH1 2.89Å; D243-R287 IonicContact OD2-NH2 3.59Å; D243-R287 PolarHBondContact OD2-NH2 3.33Å; G283-R287 WeakPolarHBondContact O-CB 3.41Å; G283-R287 PolarHBondContact O-N 3.45Å; A284-R287 WeakPolarHBondContact O-CB 3.41Å; A284-R287 PolarHBondContact O-N 3.45Å; A284-R287 VanDerWaalsContact O-N 3.07Å; G285-R287 VanDerWaalsContact C-N 3.25Å; G285-R287 PolarHBondContact O-N 2.93Å; R287-L289 VanDerWaalsContact C-N 3.28Å; R287-L289 PolarHBondContact O-N 3.3Å; R287-V290 PolarHBondContact O-N 3.48Å; R287-I291 HydrophobicContact CG-CD1 3.79Å; R287-I291 HydrophobicContact CG-CG1 4.33Å; R287-I291 WeakPolarHBondContact O-CB 3.4Å; R287-I291 WeakPolarHBondContact O-CG1 3.32Å; R287-I291 PolarHBondContact O-N 3.44Å |
| 288 | A | 76.4 | Confident | 71.7 | Confident | 19 Ų | 19 | 40.2 Ų | 40.2 | 16% | 0.157 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.7 | -44.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | V237 A284 G285 V290 I291 A292 | V237-A288 HydrophobicContact CG2-CB 4.26Å; A284-A288 PolarHBondContact O-N 2.98Å; G285-A288 PolarHBondContact O-N 3.33Å; A288-V290 VanDerWaalsContact C-N 3.31Å; A288-V290 PolarHBondContact O-N 3.3Å; A288-I291 PolarHBondContact O-N 2.86Å; A288-A292 WeakPolarHBondContact O-CB 3.31Å; A288-A292 PolarHBondContact O-N 3.46Å |
| 289 | L | 71.5 | Confident | 71.2 | Confident | 95 Ų | 95 | 38.8 Ų | 38.8 | 50% | 0.497 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.4 | -27.3 | 178.5 | -77.8 | 167.5 | 0 | 0 | 0 | 114.9 | M48 G285 R287 P293 | M48-L289 HydrophobicContact CE-CB 4.16Å; M48-L289 HydrophobicContact CE-CD1 3.33Å; M48-L289 HydrophobicContact CE-CG 4.38Å; M48-L289 HydrophobicContact SD-CB 4.4Å; M48-L289 HydrophobicContact SD-CD1 3.96Å; G285-L289 WeakPolarHBondContact O-CG 3.18Å; G285-L289 PolarHBondContact O-N 3.22Å; G285-L289 VanDerWaalsContact O-N 3.1Å; R287-L289 VanDerWaalsContact C-N 3.28Å; R287-L289 PolarHBondContact O-N 3.3Å; L289-P293 WeakPolarHBondContact O-CD 3.35Å; L289-P293 VanDerWaalsContact O-CG 3.25Å; L289-P293 WeakPolarHBondContact O-CG 3.32Å |
| 290 | V | 70.6 | Confident | 71 | Confident | 14 Ų | 14 | 39.3 Ų | 39.3 | 9% | 0.085 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -84.7 | -39.1 | 176 | 164.5 | 0 | 0 | 0 | 0 | 111.1 | V26 I29 D30 K33 C286 R287 A288 P293 L294 | V26-V290 HydrophobicContact CG1-CB 4.46Å; V26-V290 HydrophobicContact CG1-CG1 3.66Å; I29-V290 HydrophobicContact CB-CG2 4.35Å; I29-V290 HydrophobicContact CG2-CG2 3.61Å; D30-V290 WeakPolarHBondContact OD1-CG1 3.11Å; D30-V290 VanDerWaalsContact OD1-CG2 3.32Å; D30-V290 WeakPolarHBondContact OD1-CG2 3.29Å; K33-V290 HydrophobicContact CD-CG2 4.07Å; C286-V290 VanDerWaalsContact O-CG2 3.28Å; C286-V290 WeakPolarHBondContact O-CG2 3.27Å; C286-V290 PolarHBondContact O-N 2.83Å; R287-V290 PolarHBondContact O-N 3.48Å; A288-V290 VanDerWaalsContact C-N 3.31Å; A288-V290 PolarHBondContact O-N 3.3Å; V290-P293 WeakPolarHBondContact O-CD 3.29Å; V290-L294 PolarHBondContact O-N 3.43Å |
| 291 | I | 71.7 | Confident | 70.4 | Confident | 19 Ų | 19 | 38.6 Ų | 38.6 | 10% | 0.097 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -75.2 | -37 | -173.8 | -75.7 | -172.9 | 0 | 0 | 0 | 111.9 | A236 R287 A288 L294 F295 | A236-I291 HydrophobicContact CB-CB 4.31Å; A236-I291 HydrophobicContact CB-CD1 3.56Å; A236-I291 HydrophobicContact CB-CG1 4.41Å; A236-I291 HydrophobicContact CB-CG2 4.31Å; R287-I291 HydrophobicContact CG-CD1 3.79Å; R287-I291 HydrophobicContact CG-CG1 4.33Å; R287-I291 WeakPolarHBondContact O-CB 3.4Å; R287-I291 WeakPolarHBondContact O-CG1 3.32Å; R287-I291 PolarHBondContact O-N 3.44Å; A288-I291 PolarHBondContact O-N 2.86Å; I291-L294 PolarHBondContact O-N 3.12Å; I291-F295 HydrophobicContact CG2-CD2 3.43Å; I291-F295 VanDerWaalsContact CG2-CD2 3.43Å; I291-F295 HydrophobicContact CG2-CE2 3.35Å; I291-F295 VanDerWaalsContact O-CD2 3.3Å; I291-F295 WeakPolarHBondContact O-CD2 3.21Å; I291-F295 PolarHBondContact O-N 3.32Å; I291-F295 VanDerWaalsContact O-N 3.15Å |
| 292 | A | 72.8 | Confident | 69.5 | Low | 21 Ų | 21 | 38.8 Ų | 38.8 | 17% | 0.174 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.6 | -50.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | C229 A288 L294 F295 G296 | C229-A292 HydrophobicContact CB-CB 4.21Å; C229-A292 PolarHBondContact SG-O 3.41Å; C229-A292 VanDerWaalsContact SG-O 3.37Å; A288-A292 WeakPolarHBondContact O-CB 3.31Å; A288-A292 PolarHBondContact O-N 3.46Å; A292-L294 VanDerWaalsContact C-N 3.34Å; A292-L294 PolarHBondContact O-N 2.93Å; A292-F295 PolarHBondContact O-N 2.95Å; A292-G296 PolarHBondContact O-N 2.9Å |
| 293 | P | 72.5 | Confident | 69.3 | Low | 41 Ų | 41 | 40.2 Ų | 40.2 | 27% | 0.266 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.3 | -36.6 | 176.2 | -22.2 | 32.7 | 0 | 0 | 0 | 113.3 | V26 I29 L289 V290 F295 G296 I297 | V26-P293 HydrophobicContact CG2-CB 4.17Å; I29-P293 HydrophobicContact CD1-CG 4.05Å; L289-P293 WeakPolarHBondContact O-CD 3.35Å; L289-P293 VanDerWaalsContact O-CG 3.25Å; L289-P293 WeakPolarHBondContact O-CG 3.32Å; V290-P293 WeakPolarHBondContact O-CD 3.29Å; P293-F295 PolarHBondContact O-N 3.29Å; P293-G296 PolarHBondContact O-N 3.04Å; P293-I297 WeakPolarHBondContact O-CB 3.42Å; P293-I297 WeakPolarHBondContact O-CD1 3.38Å; P293-I297 WeakPolarHBondContact O-CG1 3.44Å; P293-I297 PolarHBondContact O-N 3.46Å |
| 294 | L | 69.9 | Low | 69.1 | Low | 55 Ų | 55 | 44.1 Ų | 44.1 | 29% | 0.288 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.9 | -47.2 | -179.5 | -170.7 | 75.4 | 0 | 0 | 0 | 111.6 | V26 V290 I291 A292 A298 | V26-L294 HydrophobicContact CG2-CB 4.22Å; V26-L294 HydrophobicContact CG2-CD1 4.16Å; V290-L294 PolarHBondContact O-N 3.43Å; I291-L294 PolarHBondContact O-N 3.12Å; A292-L294 VanDerWaalsContact C-N 3.34Å; A292-L294 PolarHBondContact O-N 2.93Å; L294-A298 WeakPolarHBondContact O-CB 3.09Å; L294-A298 PolarHBondContact O-N 3.41Å |
| 295 | F | 68.2 | Low | 68.6 | Low | 46 Ų | 46 | 44.5 Ų | 44.5 | 20% | 0.202 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69.3 | -37 | 177.2 | -79 | -64.8 | 0 | 0 | 0 | 112.4 | F196 Y200 I291 A292 P293 A298 Q299 | F196-F295 HydrophobicContact CE1-CZ 4.14Å; F196-F295 AromaticContact CZ-CE2 3.89Å; F196-F295 HydrophobicContact CZ-CE2 3.89Å; F196-F295 AromaticContact CZ-CZ 3.78Å; F196-F295 HydrophobicContact CZ-CZ 3.78Å; Y200-F295 HydrophobicContact CD2-CZ 4.48Å; Y200-F295 HydrophobicContact CE2-CD1 4.37Å; Y200-F295 HydrophobicContact CE2-CE1 4.08Å; Y200-F295 HydrophobicContact CE2-CE2 4.28Å; Y200-F295 HydrophobicContact CE2-CZ 4.04Å; Y200-F295 AromaticContact CZ-CE1 3.94Å; I291-F295 HydrophobicContact CG2-CD2 3.43Å; I291-F295 VanDerWaalsContact CG2-CD2 3.43Å; I291-F295 HydrophobicContact CG2-CE2 3.35Å; I291-F295 VanDerWaalsContact O-CD2 3.3Å; I291-F295 WeakPolarHBondContact O-CD2 3.21Å; I291-F295 PolarHBondContact O-N 3.32Å; I291-F295 VanDerWaalsContact O-N 3.15Å; A292-F295 PolarHBondContact O-N 2.95Å; P293-F295 PolarHBondContact O-N 3.29Å; F295-A298 PolarHBondContact O-N 3.37Å; F295-Q299 WeakPolarHBondContact O-CG 3.31Å; F295-Q299 PolarHBondContact O-N 3.38Å |
| 296 | G | 67.8 | Low | 68.1 | Low | 2 Ų | 2 | 44.3 Ų | 44.3 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.6 | -45.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | F225 A292 P293 Q299 G300 | F225-G296 WeakPolarHBondContact CD2-O 3.5Å; F225-G296 WeakPolarHBondContact CE2-O 3.32Å; A292-G296 PolarHBondContact O-N 2.9Å; P293-G296 PolarHBondContact O-N 3.04Å; G296-Q299 PolarHBondContact O-N 3.44Å; G296-G300 PolarHBondContact O-N 3.44Å |
| 297 | I | 68.9 | Low | 67.7 | Low | 35 Ų | 35 | 43.4 Ų | 43.4 | 18% | 0.179 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.1 | -41.3 | 177.6 | -65.6 | 160.3 | 0 | 0 | 0 | 110.9 | V21 C25 V26 P293 Q299 G300 V301 | V21-I297 HydrophobicContact CG1-CG2 3.93Å; C25-I297 HydrophobicContact CB-CD1 3.33Å; V26-I297 HydrophobicContact CG2-CD1 4.37Å; P293-I297 WeakPolarHBondContact O-CB 3.42Å; P293-I297 WeakPolarHBondContact O-CD1 3.38Å; P293-I297 WeakPolarHBondContact O-CG1 3.44Å; P293-I297 PolarHBondContact O-N 3.46Å; I297-Q299 PolarHBondContact O-N 3.26Å; I297-G300 PolarHBondContact O-N 3.09Å; I297-V301 HydrophobicContact CG2-CG2 4.2Å; I297-V301 WeakPolarHBondContact O-CG2 3.47Å; I297-V301 PolarHBondContact O-N 3.22Å |
| 298 | A | 65.2 | Low | 67.3 | Low | 29 Ų | 29 | 47.8 Ų | 47.8 | 24% | 0.24 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -56.6 | -50.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | L294 F295 G300 V301 Y302 | L294-A298 WeakPolarHBondContact O-CB 3.09Å; L294-A298 PolarHBondContact O-N 3.41Å; F295-A298 PolarHBondContact O-N 3.37Å; A298-G300 VanDerWaalsContact C-N 3.33Å; A298-G300 PolarHBondContact O-N 3.42Å; A298-V301 PolarHBondContact O-N 3.45Å; A298-Y302 WeakPolarHBondContact O-CD2 3.36Å; A298-Y302 PolarHBondContact O-N 3.43Å |
| 299 | Q | 65.3 | Low | 66.7 | Low | 54 Ų | 54 | 55.8 Ų | 55.8 | 25% | 0.252 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60 | -41.7 | 176.2 | -71.4 | -63.3 | -34.8 | 0 | 0 | 112.2 | F221 F295 G296 I297 Y302 F303 | F221-Q299 HydrophobicContact CE2-CB 4.29Å; F295-Q299 WeakPolarHBondContact O-CG 3.31Å; F295-Q299 PolarHBondContact O-N 3.38Å; G296-Q299 PolarHBondContact O-N 3.44Å; I297-Q299 PolarHBondContact O-N 3.26Å; Q299-Y302 PolarHBondContact O-N 3Å; Q299-F303 WeakPolarHBondContact O-CB 3.26Å; Q299-F303 PolarHBondContact O-N 2.81Å |
| 300 | G | 67.3 | Low | 66.2 | Low | 13 Ų | 13 | 54.1 Ų | 54.1 | 13% | 0.134 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.3 | -44.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | G296 I297 A298 F303 I304 | G296-G300 PolarHBondContact O-N 3.44Å; I297-G300 PolarHBondContact O-N 3.09Å; A298-G300 VanDerWaalsContact C-N 3.33Å; A298-G300 PolarHBondContact O-N 3.42Å; G300-F303 PolarHBondContact O-N 3.35Å; G300-I304 WeakPolarHBondContact O-CB 3.4Å; G300-I304 WeakPolarHBondContact O-CD1 3.4Å; G300-I304 VanDerWaalsContact O-CG1 3.23Å; G300-I304 WeakPolarHBondContact O-CG1 3.48Å; G300-I304 PolarHBondContact O-N 2.97Å |
| 301 | V | 66.1 | Low | 65.5 | Low | 8 Ų | 8 | 55.2 Ų | 55.2 | 5% | 0.048 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.3 | -40 | 179.1 | 174.5 | 0 | 0 | 0 | 0 | 111.4 | A18 I297 A298 F303 I304 G305 I306 | A18-V301 HydrophobicContact CB-CB 3.86Å; A18-V301 HydrophobicContact CB-CG1 3.55Å; A18-V301 HydrophobicContact CB-CG2 4.31Å; I297-V301 HydrophobicContact CG2-CG2 4.2Å; I297-V301 WeakPolarHBondContact O-CG2 3.47Å; I297-V301 PolarHBondContact O-N 3.22Å; A298-V301 PolarHBondContact O-N 3.45Å; V301-F303 VanDerWaalsContact C-N 3.35Å; V301-I304 PolarHBondContact O-N 2.85Å; V301-G305 PolarHBondContact O-N 3.48Å; V301-G305 VanDerWaalsContact O-N 3.16Å; V301-I306 HydrophobicContact CB-CD1 4.48Å; V301-I306 HydrophobicContact CG1-CB 4.41Å; V301-I306 HydrophobicContact CG1-CD1 4.06Å; V301-I306 HydrophobicContact CG1-CG1 4.43Å; V301-I306 HydrophobicContact CG2-CD1 4.23Å |
| 302 | Y | 62.6 | Low | 64.9 | Low | 116 Ų | 116 | 61.6 Ų | 61.6 | 46% | 0.455 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.4 | -39.7 | 173.4 | -82.1 | -66.1 | 0 | 0 | 0 | 112.4 | L83 A298 Q299 G305 | L83-Y302 WeakPolarHBondContact CD1-OH 3.48Å; A298-Y302 WeakPolarHBondContact O-CD2 3.36Å; A298-Y302 PolarHBondContact O-N 3.43Å; Q299-Y302 PolarHBondContact O-N 3Å; Y302-G305 PolarHBondContact O-N 3.31Å |
| 303 | F | 64.3 | Low | 64 | Low | 147 Ų | 147 | 65.6 Ų | 65.6 | 65% | 0.645 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -68.9 | -38.8 | 178.9 | -175.7 | -98 | 0 | 0 | 0 | 112.7 | F221 Q299 G300 V301 G305 | F221-F303 HydrophobicContact CB-CD2 4.11Å; F221-F303 HydrophobicContact CB-CE1 4.46Å; F221-F303 HydrophobicContact CB-CE2 3.98Å; F221-F303 HydrophobicContact CB-CG 4.4Å; F221-F303 HydrophobicContact CB-CZ 4.17Å; F221-F303 HydrophobicContact CD2-CB 3.56Å; F221-F303 AromaticContact CD2-CD1 3.98Å; F221-F303 HydrophobicContact CD2-CD1 3.98Å; F221-F303 AromaticContact CD2-CD2 3.75Å; F221-F303 HydrophobicContact CD2-CD2 3.75Å; F221-F303 HydrophobicContact CD2-CE2 4.46Å; F221-F303 AromaticContact CD2-CG 3.47Å; F221-F303 HydrophobicContact CD2-CG 3.47Å; F221-F303 VanDerWaalsContact CD2-CG 3.47Å; F221-F303 HydrophobicContact CE2-CB 3.64Å; F221-F303 HydrophobicContact CE2-CD1 4.45Å; F221-F303 HydrophobicContact CE2-CG 4.02Å; F221-F303 HydrophobicContact CG-CD1 4.22Å; F221-F303 HydrophobicContact CG-CD2 4.24Å; F221-F303 HydrophobicContact CG-CE1 4.5Å; F221-F303 HydrophobicContact CG-CG 4.08Å; Q299-F303 WeakPolarHBondContact O-CB 3.26Å; Q299-F303 PolarHBondContact O-N 2.81Å; G300-F303 PolarHBondContact O-N 3.35Å; V301-F303 VanDerWaalsContact C-N 3.35Å; F303-G305 VanDerWaalsContact C-N 3.25Å; F303-G305 PolarHBondContact O-N 3.25Å |
| 304 | I | 65.9 | Low | 63.2 | Low | 102 Ų | 102 | 72.7 Ų | 72.7 | 52% | 0.523 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -72.8 | -20.5 | 178.7 | -65.3 | 166.9 | 0 | 0 | 0 | 111.5 | G300 V301 I306 | G300-I304 WeakPolarHBondContact O-CB 3.4Å; G300-I304 WeakPolarHBondContact O-CD1 3.4Å; G300-I304 VanDerWaalsContact O-CG1 3.23Å; G300-I304 WeakPolarHBondContact O-CG1 3.48Å; G300-I304 PolarHBondContact O-N 2.97Å; V301-I304 PolarHBondContact O-N 2.85Å; I304-I306 VanDerWaalsContact C-N 3.3Å; I304-I306 HydrophobicContact CB-CD1 4.38Å; I304-I306 HydrophobicContact CB-CG1 3.86Å; I304-I306 HydrophobicContact CG2-CD1 4.1Å; I304-I306 HydrophobicContact CG2-CG1 3.41Å; I304-I306 VanDerWaalsContact CG2-CG1 3.41Å; I304-I306 PolarHBondContact O-N 2.9Å |
| 305 | G | 62.8 | Low | 62 | Low | 16 Ų | 16 | 79.6 Ų | 79.6 | 17% | 0.165 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | 36.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V301 Y302 F303 G307 E308 R309 | V301-G305 PolarHBondContact O-N 3.48Å; V301-G305 VanDerWaalsContact O-N 3.16Å; Y302-G305 PolarHBondContact O-N 3.31Å; F303-G305 VanDerWaalsContact C-N 3.25Å; F303-G305 PolarHBondContact O-N 3.25Å; G305-G307 PolarHBondContact O-N 3.12Å; G305-G307 VanDerWaalsContact O-N 3.15Å; G305-E308 WeakPolarHBondContact O-CB 3.14Å; G305-E308 PolarHBondContact O-N 3.02Å; G305-R309 PolarHBondContact O-N 3.15Å |
| 306 | I | 63.2 | Low | 61.7 | Low | 45 Ų | 45 | 81.3 Ų | 81.3 | 23% | 0.231 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -53.8 | -40.4 | -169.7 | -65.9 | -179.8 | 0 | 0 | 0 | 112.3 | V17 V301 I304 R309 I310 | V17-I306 HydrophobicContact CG1-CG2 4.08Å; V301-I306 HydrophobicContact CB-CD1 4.48Å; V301-I306 HydrophobicContact CG1-CB 4.41Å; V301-I306 HydrophobicContact CG1-CD1 4.06Å; V301-I306 HydrophobicContact CG1-CG1 4.43Å; V301-I306 HydrophobicContact CG2-CD1 4.23Å; I304-I306 VanDerWaalsContact C-N 3.3Å; I304-I306 HydrophobicContact CB-CD1 4.38Å; I304-I306 HydrophobicContact CB-CG1 3.86Å; I304-I306 HydrophobicContact CG2-CD1 4.1Å; I304-I306 HydrophobicContact CG2-CG1 3.41Å; I304-I306 VanDerWaalsContact CG2-CG1 3.41Å; I304-I306 PolarHBondContact O-N 2.9Å; I306-R309 WeakPolarHBondContact O-CB 3.41Å; I306-R309 PolarHBondContact O-N 2.7Å; I306-I310 HydrophobicContact CG2-CD1 3.64Å; I306-I310 HydrophobicContact CG2-CG1 4.23Å; I306-I310 VanDerWaalsContact O-CG1 3.32Å; I306-I310 WeakPolarHBondContact O-CG1 3.22Å; I306-I310 PolarHBondContact O-N 3.36Å |
| 307 | G | 59 | Low | 61.4 | Low | 0 Ų | 0 | 85.5 Ų | 85.5 | 0% | 0 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -72.6 | -25.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | N14 G305 L311 | N14-G307 VanDerWaalsContact CG-CA 3.43Å; N14-G307 WeakPolarHBondContact OD1-CA 3.11Å; N14-G307 PolarHBondContact OD1-N 3.32Å; G305-G307 PolarHBondContact O-N 3.12Å; G305-G307 VanDerWaalsContact O-N 3.15Å; G307-L311 PolarHBondContact O-N 3.14Å |
| 308 | E | 62.3 | Low | 61 | Low | 126 Ų | 126 | 88.3 Ų | 88.3 | 59% | 0.589 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -70.7 | -36.2 | 169 | -67.1 | -177 | -179.2 | 0 | 0 | 110.9 | G305 K312 | G305-E308 WeakPolarHBondContact O-CB 3.14Å; G305-E308 PolarHBondContact O-N 3.02Å; E308-K312 WeakPolarHBondContact O-CB 3.38Å; E308-K312 WeakPolarHBondContact O-CG 3.45Å; E308-K312 PolarHBondContact O-N 3.44Å; E308-K312 VanDerWaalsContact O-N 3.16Å |
| 309 | R | 62.2 | Low | 60.7 | Low | 188 Ų | 188 | 91.8 Ų | 91.8 | 71% | 0.709 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -70 | -36.7 | 173.9 | -71.7 | -164.6 | 175.5 | -159.5 | -0.9 | 112.9 | G305 I306 C313 | G305-R309 PolarHBondContact O-N 3.15Å; I306-R309 WeakPolarHBondContact O-CB 3.41Å; I306-R309 PolarHBondContact O-N 2.7Å; R309-C313 PolarHBondContact O-N 2.93Å |
| 310 | I | 61 | Low | 60.4 | Low | 59 Ų | 59 | 94.1 Ų | 94.1 | 30% | 0.303 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -68.1 | -45 | 176.5 | -69.9 | 169.6 | 0 | 0 | 0 | 110.3 | V17 I306 K312 C313 F314 | V17-I310 HydrophobicContact CG2-CD1 4.19Å; I306-I310 HydrophobicContact CG2-CD1 3.64Å; I306-I310 HydrophobicContact CG2-CG1 4.23Å; I306-I310 VanDerWaalsContact O-CG1 3.32Å; I306-I310 WeakPolarHBondContact O-CG1 3.22Å; I306-I310 PolarHBondContact O-N 3.36Å; I310-K312 PolarHBondContact O-N 3.19Å; I310-C313 WeakPolarHBondContact O-CB 3.17Å; I310-C313 PolarHBondContact O-N 3.27Å; I310-C313 VanDerWaalsContact O-N 3.08Å; I310-F314 HydrophobicContact CG2-CD2 4.16Å; I310-F314 HydrophobicContact CG2-CE2 4.26Å; I310-F314 WeakPolarHBondContact O-CD2 3.44Å; I310-F314 PolarHBondContact O-N 2.84Å |
| 311 | L | 55.7 | Low | 60 | Low | 37 Ų | 37 | 99.5 Ų | 99.5 | 19% | 0.194 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 177.4 | -110.4 | 98.1 | 0 | 0 | 0 | 112.2 | L6 A10 I13 G307 C313 F314 E315 | L6-L311 HydrophobicContact CD2-CD2 3.97Å; L6-L311 HydrophobicContact CG-CD2 4.34Å; A10-L311 HydrophobicContact CB-CD1 3.65Å; A10-L311 HydrophobicContact CB-CD2 4.27Å; I13-L311 HydrophobicContact CD1-CD1 3.95Å; G307-L311 PolarHBondContact O-N 3.14Å; L311-C313 PolarHBondContact O-N 3.15Å; L311-C313 VanDerWaalsContact O-N 3.14Å; L311-F314 PolarHBondContact O-N 2.84Å; L311-E315 PolarHBondContact O-N 3.38Å |
| 312 | K | 59.2 | Low | 59.6 | Low | 153 Ų | 153 | 106.1 Ų | 106.1 | 67% | 0.665 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -15.4 | 175.6 | -76.4 | 179 | 178.8 | 178.4 | 0 | 114.4 | E308 I310 | E308-K312 WeakPolarHBondContact O-CB 3.38Å; E308-K312 WeakPolarHBondContact O-CG 3.45Å; E308-K312 PolarHBondContact O-N 3.44Å; E308-K312 VanDerWaalsContact O-N 3.16Å; I310-K312 PolarHBondContact O-N 3.19Å |
| 313 | C | 55 | Low | 59.3 | Low | 106 Ų | 106 | 105.3 Ų | 105.3 | 72% | 0.716 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -9.8 | 177.5 | -150.9 | 0 | 0 | 0 | 0 | 112.2 | R309 I310 L311 | R309-C313 PolarHBondContact O-N 2.93Å; I310-C313 WeakPolarHBondContact O-CB 3.17Å; I310-C313 PolarHBondContact O-N 3.27Å; I310-C313 VanDerWaalsContact O-N 3.08Å; L311-C313 PolarHBondContact O-N 3.15Å; L311-C313 VanDerWaalsContact O-N 3.14Å |
| 314 | F | 54.7 | Low | 58.9 | Low | 189 Ų | 189 | 101.8 Ų | 101.8 | 83% | 0.829 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.5 | -3.8 | 178.7 | -87 | -81.7 | 0 | 0 | 0 | 113.4 | I310 L311 | I310-F314 HydrophobicContact CG2-CD2 4.16Å; I310-F314 HydrophobicContact CG2-CE2 4.26Å; I310-F314 WeakPolarHBondContact O-CD2 3.44Å; I310-F314 PolarHBondContact O-N 2.84Å; L311-F314 PolarHBondContact O-N 2.84Å |
| 315 | E | 45.9 | Very low | 58.3 | Low | 201 Ų | 201 | 101.8 Ų | 101.8 | 94% | 0.939 | 49% | 0.485 | S | S | * | . | trans | -90.7 | 0 | 161.7 | -80.5 | -179.1 | 137.1 | 0 | 0 | 110.3 | L311 | L311-E315 PolarHBondContact O-N 3.38Š|
Retrieved 315 of 315 residues in 926.8 ms
(Link to these results)