| 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 | 57.9 | Low | 70.5 | Confident | 197 Ų | 197 | 61 Ų | 61 | 97% | 0.97 | 36% | 0.359 | S | S | * | . | 0 | -65.4 | 0 | -75 | -156.5 | -78.8 | 0 | 0 | 113.2 | D4 F5 | M1-D4 WeakPolarHBondContact CA-OD2 3.35Å; M1-D4 PolarHBondContact N-OD2 3.42Å; M1-D4 PolarHBondContact O-N 3.41Å; M1-F5 WeakPolarHBondContact O-CB 3.49Å; M1-F5 PolarHBondContact O-N 3.43Å | |||
| 2 | A | 69.3 | Low | 70.5 | Confident | 74 Ų | 74 | 57.5 Ų | 57.5 | 61% | 0.612 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -65.2 | -40.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | F5 L6 | A2-F5 PolarHBondContact O-N 2.98Å; A2-L6 WeakPolarHBondContact O-CG 3.43Å; A2-L6 PolarHBondContact O-N 2.9Å |
| 3 | L | 72.4 | Confident | 71 | Confident | 72 Ų | 72 | 57.3 Ų | 57.3 | 38% | 0.377 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 175.7 | -73 | 172.8 | 0 | 0 | 0 | 112.8 | F5 L6 A7 A276 | L3-F5 VanDerWaalsContact C-N 3.29Å; L3-F5 PolarHBondContact O-N 3.38Å; L3-L6 PolarHBondContact O-N 3.47Å; L3-A7 WeakPolarHBondContact O-CB 3.38Å; L3-A7 PolarHBondContact O-N 2.95Å; L3-A276 HydrophobicContact CD1-CB 4.17Å; L3-A276 HydrophobicContact CD2-CB 3.71Å; L3-A276 HydrophobicContact CG-CB 4.48Å |
| 4 | D | 70.1 | Confident | 71.3 | Confident | 63 Ų | 63 | 54.4 Ų | 54.4 | 34% | 0.337 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.7 | -37.6 | 176.3 | -48.7 | -62.7 | 0 | 0 | 0 | 111.4 | M1 G8 | M1-D4 WeakPolarHBondContact CA-OD2 3.35Å; M1-D4 PolarHBondContact N-OD2 3.42Å; M1-D4 PolarHBondContact O-N 3.41Å; D4-G8 PolarHBondContact O-N 3.23Å |
| 5 | F | 70.6 | Confident | 71.3 | Confident | 73 Ų | 73 | 51.1 Ų | 51.1 | 32% | 0.32 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.9 | -44.7 | 174.5 | 177.5 | -98.1 | 0 | 0 | 0 | 112.2 | M1 A2 L3 G8 C9 N73 F77 | M1-F5 WeakPolarHBondContact O-CB 3.49Å; M1-F5 PolarHBondContact O-N 3.43Å; A2-F5 PolarHBondContact O-N 2.98Å; L3-F5 VanDerWaalsContact C-N 3.29Å; L3-F5 PolarHBondContact O-N 3.38Å; F5-G8 PolarHBondContact O-N 2.88Å; F5-C9 VanDerWaalsContact CZ-SG 3.59Å; F5-C9 WeakPolarHBondContact O-CB 3.39Å; F5-C9 PolarHBondContact O-N 3.47Å; F5-C9 PolarHBondContact O-SG 3.33Å; F5-N73 HydrophobicContact CE2-CB 4.36Å; F5-F77 AromaticContact CD2-CD2 3.81Å; F5-F77 HydrophobicContact CD2-CD2 3.81Å; F5-F77 AromaticContact CD2-CE2 3.66Å; F5-F77 HydrophobicContact CD2-CE2 3.66Å; F5-F77 HydrophobicContact CD2-CZ 4.46Å; F5-F77 AromaticContact CE2-CD2 3.53Å; F5-F77 HydrophobicContact CE2-CD2 3.53Å; F5-F77 AromaticContact CE2-CE2 3.63Å; F5-F77 HydrophobicContact CE2-CE2 3.63Å |
| 6 | L | 74.1 | Confident | 71.6 | Confident | 101 Ų | 101 | 49.7 Ų | 49.7 | 53% | 0.529 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.1 | -44.7 | 176.1 | -77.2 | 168.2 | 0 | 0 | 0 | 111.8 | A2 L3 G8 C9 A10 | A2-L6 WeakPolarHBondContact O-CG 3.43Å; A2-L6 PolarHBondContact O-N 2.9Å; L3-L6 PolarHBondContact O-N 3.47Å; L6-G8 VanDerWaalsContact C-N 3.33Å; L6-G8 PolarHBondContact O-N 2.94Å; L6-C9 PolarHBondContact O-N 2.93Å; L6-A10 WeakPolarHBondContact O-CB 3.33Å; L6-A10 PolarHBondContact O-N 3.4Å |
| 7 | A | 72.4 | Confident | 72 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.008 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.4 | -43.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L3 C9 A10 G11 V269 V272 L273 | L3-A7 WeakPolarHBondContact O-CB 3.38Å; L3-A7 PolarHBondContact O-N 2.95Å; A7-C9 PolarHBondContact O-N 3.3Å; A7-A10 PolarHBondContact O-N 3.03Å; A7-G11 PolarHBondContact O-N 3.41Å; A7-V269 HydrophobicContact CB-CG1 4.29Å; A7-V269 WeakPolarHBondContact O-CG2 3.4Å; A7-V272 HydrophobicContact CB-CB 4.11Å; A7-V272 HydrophobicContact CB-CG1 3.8Å; A7-L273 HydrophobicContact CB-CD1 4.4Å; A7-L273 HydrophobicContact CB-CD2 3.73Å; A7-L273 HydrophobicContact CB-CG 3.7Å |
| 8 | G | 70.5 | Confident | 72.4 | Confident | 38 Ų | 38 | 50.9 Ų | 50.9 | 39% | 0.392 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.1 | -42 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | D4 F5 L6 G11 G12 | D4-G8 PolarHBondContact O-N 3.23Å; F5-G8 PolarHBondContact O-N 2.88Å; L6-G8 VanDerWaalsContact C-N 3.33Å; L6-G8 PolarHBondContact O-N 2.94Å; G8-G11 PolarHBondContact O-N 2.98Å; G8-G12 PolarHBondContact O-N 3.25Å |
| 9 | C | 74.4 | Confident | 72.5 | Confident | 18 Ų | 18 | 48.2 Ų | 48.2 | 12% | 0.122 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.9 | -46 | 176.5 | -69.7 | 0 | 0 | 0 | 0 | 111.9 | F5 L6 A7 G11 G12 V13 | F5-C9 VanDerWaalsContact CZ-SG 3.59Å; F5-C9 WeakPolarHBondContact O-CB 3.39Å; F5-C9 PolarHBondContact O-N 3.47Å; F5-C9 PolarHBondContact O-SG 3.33Å; L6-C9 PolarHBondContact O-N 2.93Å; A7-C9 PolarHBondContact O-N 3.3Å; C9-G11 VanDerWaalsContact C-N 3.35Å; C9-G11 PolarHBondContact O-N 3.46Å; C9-G12 PolarHBondContact O-N 2.94Å; C9-V13 WeakPolarHBondContact O-CG2 3.32Å; C9-V13 PolarHBondContact O-N 2.8Å |
| 10 | A | 74.3 | Confident | 72.8 | Confident | 34 Ų | 34 | 45.8 Ų | 45.8 | 28% | 0.281 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L6 A7 G12 V13 A14 T268 V272 | L6-A10 WeakPolarHBondContact O-CB 3.33Å; L6-A10 PolarHBondContact O-N 3.4Å; A7-A10 PolarHBondContact O-N 3.03Å; A10-G12 VanDerWaalsContact C-N 3.33Å; A10-G12 PolarHBondContact O-N 2.98Å; A10-V13 PolarHBondContact O-N 3.28Å; A10-A14 WeakPolarHBondContact O-CB 3.13Å; A10-A14 PolarHBondContact O-N 2.9Å; A10-T268 HydrophobicContact CB-CG2 3.86Å; A10-V272 HydrophobicContact CB-CG2 4.03Å |
| 11 | G | 69.5 | Low | 73 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.2 | -37.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113.5 | A7 G8 C9 G15 T265 | A7-G11 PolarHBondContact O-N 3.41Å; G8-G11 PolarHBondContact O-N 2.98Å; C9-G11 VanDerWaalsContact C-N 3.35Å; C9-G11 PolarHBondContact O-N 3.46Å; G11-G15 PolarHBondContact O-N 2.96Å; G11-T265 PolarHBondContact O-OG1 2.92Å |
| 12 | G | 70.5 | Confident | 74.1 | Confident | 19 Ų | 19 | 36.8 Ų | 36.8 | 20% | 0.196 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65 | -44.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G8 C9 A10 G15 V16 | G8-G12 PolarHBondContact O-N 3.25Å; C9-G12 PolarHBondContact O-N 2.94Å; A10-G12 VanDerWaalsContact C-N 3.33Å; A10-G12 PolarHBondContact O-N 2.98Å; G12-G15 PolarHBondContact O-N 3.22Å; G12-V16 VanDerWaalsContact O-CG2 3.29Å; G12-V16 WeakPolarHBondContact O-CG2 3.48Å; G12-V16 PolarHBondContact O-N 3.33Å |
| 13 | V | 77.1 | Confident | 74.4 | Confident | 55 Ų | 55 | 34.7 Ų | 34.7 | 33% | 0.333 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.3 | -47.6 | 175.7 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | C9 A10 G15 V16 L17 L66 L69 | C9-V13 WeakPolarHBondContact O-CG2 3.32Å; C9-V13 PolarHBondContact O-N 2.8Å; A10-V13 PolarHBondContact O-N 3.28Å; V13-G15 VanDerWaalsContact C-N 3.34Å; V13-G15 PolarHBondContact O-N 2.7Å; V13-V16 PolarHBondContact O-N 3.17Å; V13-L17 HydrophobicContact CG1-CD1 3.93Å; V13-L17 HydrophobicContact CG1-CG 4.43Å; V13-L17 VanDerWaalsContact O-CG 3.3Å; V13-L17 WeakPolarHBondContact O-CG 3.15Å; V13-L17 PolarHBondContact O-N 2.91Å; V13-L66 HydrophobicContact CG1-CD2 4.14Å; V13-L66 HydrophobicContact CG2-CD2 4.42Å; V13-L69 HydrophobicContact CG2-CD2 3.82Å |
| 14 | A | 74.8 | Confident | 74.5 | Confident | 17 Ų | 17 | 31.6 Ų | 31.6 | 14% | 0.14 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.1 | -43.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A10 L17 V18 T268 | A10-A14 WeakPolarHBondContact O-CB 3.13Å; A10-A14 PolarHBondContact O-N 2.9Å; A14-L17 PolarHBondContact O-N 2.71Å; A14-V18 WeakPolarHBondContact O-CG2 3.45Å; A14-V18 PolarHBondContact O-N 2.75Å; A14-T268 HydrophobicContact CB-CG2 4.08Å; A14-T268 WeakPolarHBondContact CB-OG1 3.36Å |
| 15 | G | 71.6 | Confident | 74.8 | Confident | 4 Ų | 4 | 28.6 Ų | 28.6 | 4% | 0.041 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.3 | -42.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | G11 G12 V13 G19 T265 | G11-G15 PolarHBondContact O-N 2.96Å; G12-G15 PolarHBondContact O-N 3.22Å; V13-G15 VanDerWaalsContact C-N 3.34Å; V13-G15 PolarHBondContact O-N 2.7Å; G15-G19 PolarHBondContact O-N 3.12Å; G15-T265 VanDerWaalsContact CA-OG1 3.31Å; G15-T265 WeakPolarHBondContact CA-OG1 3.34Å |
| 16 | V | 75.9 | Confident | 75.1 | Confident | 29 Ų | 29 | 26.2 Ų | 26.2 | 18% | 0.176 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.6 | -45.3 | 175.2 | 169.7 | 0 | 0 | 0 | 0 | 110.7 | G12 V13 V18 G19 H20 L62 P65 L66 | G12-V16 VanDerWaalsContact O-CG2 3.29Å; G12-V16 WeakPolarHBondContact O-CG2 3.48Å; G12-V16 PolarHBondContact O-N 3.33Å; V13-V16 PolarHBondContact O-N 3.17Å; V16-V18 PolarHBondContact O-N 3Å; V16-G19 PolarHBondContact O-N 3.16Å; V16-H20 WeakPolarHBondContact O-CB 3.39Å; V16-H20 PolarHBondContact O-N 3.43Å; V16-L62 HydrophobicContact CG1-CD1 3.84Å; V16-P65 HydrophobicContact CG1-CB 3.9Å; V16-L66 HydrophobicContact CB-CD2 4.4Å; V16-L66 HydrophobicContact CG1-CD2 4Å; V16-L66 HydrophobicContact CG1-CG 4.46Å |
| 17 | L | 77.8 | Confident | 74.9 | Confident | 68 Ų | 68 | 22.2 Ų | 22.2 | 36% | 0.356 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -59.9 | -47.3 | 179.3 | -72.8 | 169.3 | 0 | 0 | 0 | 112.1 | V13 A14 P21 Y59 L62 | V13-L17 HydrophobicContact CG1-CD1 3.93Å; V13-L17 HydrophobicContact CG1-CG 4.43Å; V13-L17 VanDerWaalsContact O-CG 3.3Å; V13-L17 WeakPolarHBondContact O-CG 3.15Å; V13-L17 PolarHBondContact O-N 2.91Å; A14-L17 PolarHBondContact O-N 2.71Å; L17-P21 WeakPolarHBondContact O-CD 3.13Å; L17-Y59 WeakPolarHBondContact O-CE1 3.46Å; L17-L62 HydrophobicContact CD2-CD1 4.42Å; L17-L62 HydrophobicContact CD2-CD2 3.73Å |
| 18 | V | 79.8 | Confident | 74.9 | Confident | 53 Ų | 53 | 23.8 Ų | 23.8 | 32% | 0.321 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -72.7 | -31.7 | -179.8 | 174.2 | 0 | 0 | 0 | 0 | 112.1 | A14 V16 P260 A264 | A14-V18 WeakPolarHBondContact O-CG2 3.45Å; A14-V18 PolarHBondContact O-N 2.75Å; V16-V18 PolarHBondContact O-N 3Å; V18-P260 HydrophobicContact CG1-CB 3.56Å; V18-A264 HydrophobicContact CB-CB 3.99Å; V18-A264 HydrophobicContact CG1-CB 4.28Å; V18-A264 HydrophobicContact CG2-CB 3.63Å |
| 19 | G | 73.8 | Confident | 75 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -82.4 | -29.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | G15 V16 P21 F22 D23 R257 | G15-G19 PolarHBondContact O-N 3.12Å; V16-G19 PolarHBondContact O-N 3.16Å; G19-P21 VanDerWaalsContact C-CD 3.49Å; G19-F22 WeakPolarHBondContact O-CB 3.22Å; G19-F22 PolarHBondContact O-N 3.24Å; G19-D23 PolarHBondContact O-N 2.96Å; G19-D23 VanDerWaalsContact O-N 3.16Å; G19-R257 PolarHBondContact O-NH1 2.95Å |
| 20 | H | 79 | Confident | 74.4 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.6 | -36.4 | -171.2 | -167.5 | 86.5 | 0 | 0 | 0 | 114.2 | V16 F22 D23 T24 L58 K60 L62 K117 | V16-H20 WeakPolarHBondContact O-CB 3.39Å; V16-H20 PolarHBondContact O-N 3.43Å; H20-F22 VanDerWaalsContact C-N 3.26Å; H20-F22 PolarHBondContact O-N 3.44Å; H20-D23 PolarHBondContact O-N 3.41Å; H20-D23 VanDerWaalsContact O-N 3.17Å; H20-T24 PolarHBondContact O-N 3.28Å; H20-T24 PolarHBondContact O-OG1 3.03Å; H20-L58 PolarHBondContact CD2-O 2.9Å; H20-K60 PolarHBondContact NE2-O 3.33Å; H20-L62 HydrophobicContact CB-CD1 3.81Å; H20-K117 PolarHBondContact ND1-NZ 2.85Å |
| 21 | P | 78.1 | Confident | 73.9 | Confident | 13 Ų | 13 | 21.9 Ų | 21.9 | 8% | 0.084 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -55.5 | -38.7 | 171.4 | -28 | 36.3 | 0 | 0 | 0 | 113.7 | L17 G19 V25 F46 L58 Y59 | L17-P21 WeakPolarHBondContact O-CD 3.13Å; G19-P21 VanDerWaalsContact C-CD 3.49Å; P21-V25 WeakPolarHBondContact O-CG2 3.49Å; P21-V25 PolarHBondContact O-N 3.18Å; P21-F46 HydrophobicContact CB-CE2 4.44Å; P21-L58 HydrophobicContact CB-CB 4.21Å; P21-L58 HydrophobicContact CB-CD1 4.37Å; P21-L58 HydrophobicContact CB-CD2 4.29Å; P21-L58 HydrophobicContact CG-CB 4.41Å; P21-Y59 HydrophobicContact CG-CE1 4.25Å; P21-Y59 HydrophobicContact CG-CE2 4.47Å |
| 22 | F | 80.3 | Confident | 73.7 | Confident | 40 Ų | 40 | 22.6 Ų | 22.6 | 18% | 0.175 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -74.9 | -33.8 | 178.6 | -61.1 | -82.5 | 0 | 0 | 0 | 112.6 | G19 H20 T24 V25 K26 S253 L256 R257 P260 | G19-F22 WeakPolarHBondContact O-CB 3.22Å; G19-F22 PolarHBondContact O-N 3.24Å; H20-F22 VanDerWaalsContact C-N 3.26Å; H20-F22 PolarHBondContact O-N 3.44Å; F22-T24 VanDerWaalsContact C-N 3.35Å; F22-V25 PolarHBondContact O-N 2.78Å; F22-K26 WeakPolarHBondContact O-CB 3.35Å; F22-K26 PolarHBondContact O-N 2.85Å; F22-S253 PolarHBondContact O-OG 3.21Å; F22-L256 HydrophobicContact CE1-CB 4.5Å; F22-L256 HydrophobicContact CE1-CD2 3.84Å; F22-L256 HydrophobicContact CE1-CG 3.89Å; F22-R257 HydrophobicContact CB-CB 3.58Å; F22-R257 HydrophobicContact CB-CG 3.81Å; F22-R257 HydrophobicContact CD1-CB 4.41Å; F22-R257 HydrophobicContact CD2-CB 4.15Å; F22-R257 HydrophobicContact CD2-CG 4.2Å; F22-R257 HydrophobicContact CG-CB 3.81Å; F22-R257 HydrophobicContact CG-CG 4.21Å; F22-P260 HydrophobicContact CE2-CB 4.25Å; F22-P260 HydrophobicContact CE2-CG 4.06Å; F22-P260 HydrophobicContact CZ-CG 4.06Å |
| 23 | D | 74.5 | Confident | 73.1 | Confident | 31 Ų | 31 | 24.4 Ų | 24.4 | 17% | 0.166 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.2 | -45.4 | 172.5 | -78.4 | -12.9 | 0 | 0 | 0 | 110.9 | G19 H20 V25 K26 V27 K117 R257 | G19-D23 PolarHBondContact O-N 2.96Å; G19-D23 VanDerWaalsContact O-N 3.16Å; H20-D23 PolarHBondContact O-N 3.41Å; H20-D23 VanDerWaalsContact O-N 3.17Å; D23-V25 VanDerWaalsContact C-N 3.31Å; D23-V25 PolarHBondContact O-N 3.43Å; D23-K26 PolarHBondContact O-N 3.35Å; D23-V27 WeakPolarHBondContact O-CB 3.3Å; D23-V27 WeakPolarHBondContact O-CG2 3.44Å; D23-V27 PolarHBondContact O-N 3.32Å; D23-K117 IonicContact OD2-NZ 2.76Å; D23-R257 IonicContact OD1-CZ 2.85Å; D23-R257 IonicContact OD1-NE 2.66Å; D23-R257 IonicContact OD1-NH1 3.5Å; D23-R257 PolarHBondContact OD1-NH1 3.02Å; D23-R257 IonicContact OD1-NH2 3.1Å; D23-R257 IonicContact OD2-CZ 2.88Å; D23-R257 IonicContact OD2-NH1 3.69Å; D23-R257 PolarHBondContact OD2-NH1 2.87Å; D23-R257 IonicContact OD2-NH2 3.69Å |
| 24 | T | 74.9 | Confident | 72.1 | Confident | 6 Ų | 6 | 25 Ų | 25 | 4% | 0.037 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.1 | -43.7 | 178.6 | -60.4 | 0 | 0 | 0 | 0 | 111 | H20 F22 R28 I49 L58 | H20-T24 PolarHBondContact O-N 3.28Å; H20-T24 PolarHBondContact O-OG1 3.03Å; F22-T24 VanDerWaalsContact C-N 3.35Å; T24-R28 WeakPolarHBondContact O-CG 3.28Å; T24-R28 PolarHBondContact O-N 3.03Å; T24-R28 VanDerWaalsContact O-N 3.15Å; T24-I49 HydrophobicContact CG2-CD1 4.36Å; T24-L58 PolarHBondContact OG1-O 3.35Å |
| 25 | V | 78.1 | Confident | 71.1 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66 | -44.2 | 176 | 174 | 0 | 0 | 0 | 0 | 111.9 | P21 F22 D23 R28 L29 T42 C45 F46 I49 | P21-V25 WeakPolarHBondContact O-CG2 3.49Å; P21-V25 PolarHBondContact O-N 3.18Å; F22-V25 PolarHBondContact O-N 2.78Å; D23-V25 VanDerWaalsContact C-N 3.31Å; D23-V25 PolarHBondContact O-N 3.43Å; V25-R28 PolarHBondContact O-N 2.98Å; V25-L29 HydrophobicContact CG1-CD1 3.91Å; V25-L29 HydrophobicContact CG1-CG 4.31Å; V25-L29 WeakPolarHBondContact O-CB 3.33Å; V25-L29 WeakPolarHBondContact O-CG 3.25Å; V25-L29 PolarHBondContact O-N 3.39Å; V25-T42 HydrophobicContact CG1-CG2 3.68Å; V25-C45 HydrophobicContact CG1-CB 3.99Å; V25-F46 HydrophobicContact CG2-CB 4.06Å; V25-F46 HydrophobicContact CG2-CD2 3.96Å; V25-I49 HydrophobicContact CG2-CD1 3.98Å |
| 26 | K | 75.4 | Confident | 70.5 | Confident | 22 Ų | 22 | 41.1 Ų | 41.1 | 10% | 0.096 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.3 | -52 | 178.2 | 178.5 | -172.4 | 174.9 | 179.5 | 0 | 111 | F22 D23 L29 Q30 D211 T254 | F22-K26 WeakPolarHBondContact O-CB 3.35Å; F22-K26 PolarHBondContact O-N 2.85Å; D23-K26 PolarHBondContact O-N 3.35Å; K26-L29 PolarHBondContact O-N 3.35Å; K26-Q30 HydrophobicContact CG-CG 4.46Å; K26-Q30 WeakPolarHBondContact O-CB 3.49Å; K26-Q30 VanDerWaalsContact O-CG 3.31Å; K26-Q30 WeakPolarHBondContact O-CG 3.03Å; K26-Q30 PolarHBondContact O-N 2.98Å; K26-D211 WeakPolarHBondContact CE-OD2 3.33Å; K26-D211 IonicContact NZ-OD2 3.89Å; K26-D211 PolarHBondContact NZ-OD2 3.06Å; K26-T254 WeakPolarHBondContact CD-OG1 3.49Å; K26-T254 WeakPolarHBondContact CE-OG1 3.43Å |
| 27 | V | 70 | Confident | 70 | Confident | 17 Ų | 17 | 43.5 Ų | 43.5 | 10% | 0.103 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.8 | -44.3 | -176.5 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | D23 L29 Q30 V31 Q121 L122 | D23-V27 WeakPolarHBondContact O-CB 3.3Å; D23-V27 WeakPolarHBondContact O-CG2 3.44Å; D23-V27 PolarHBondContact O-N 3.32Å; V27-L29 PolarHBondContact O-N 3.48Å; V27-Q30 PolarHBondContact O-N 3.41Å; V27-V31 WeakPolarHBondContact O-CG2 3.46Å; V27-V31 PolarHBondContact O-N 3.32Å; V27-V31 VanDerWaalsContact O-N 3.09Å; V27-Q121 HydrophobicContact CG1-CB 4.14Å; V27-L122 HydrophobicContact CG1-CD2 3.42Å; V27-L122 VanDerWaalsContact CG1-CD2 3.42Å; V27-L122 HydrophobicContact CG1-CG 3.91Å |
| 28 | R | 73.5 | Confident | 69.6 | Low | 35 Ų | 35 | 46.6 Ų | 46.6 | 13% | 0.132 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.1 | -39 | 176.4 | -72 | -171 | -174.5 | -150.8 | 6.4 | 112.9 | T24 V25 Q30 V31 Q32 Y39 E53 | T24-R28 WeakPolarHBondContact O-CG 3.28Å; T24-R28 PolarHBondContact O-N 3.03Å; T24-R28 VanDerWaalsContact O-N 3.15Å; V25-R28 PolarHBondContact O-N 2.98Å; R28-Q30 VanDerWaalsContact C-N 3.35Å; R28-V31 PolarHBondContact O-N 3.5Å; R28-Q32 PolarHBondContact O-N 3.25Å; R28-Y39 HydrophobicContact CB-CE2 4.2Å; R28-Y39 PolarHBondContact NH1-OH 3.32Å; R28-E53 IonicContact CZ-OE1 3.53Å; R28-E53 VanDerWaalsContact CZ-OE1 3.27Å; R28-E53 IonicContact CZ-OE2 2.72Å; R28-E53 IonicContact NH1-OE1 2.67Å; R28-E53 PolarHBondContact NH1-OE1 3.17Å; R28-E53 IonicContact NH1-OE2 3.24Å; R28-E53 IonicContact NH2-OE1 3.75Å; R28-E53 PolarHBondContact NH2-OE1 3.27Å; R28-E53 IonicContact NH2-OE2 2.98Å; R28-E53 PolarHBondContact NH2-OE2 3.33Å |
| 29 | L | 72.8 | Confident | 69.4 | Low | 6 Ų | 6 | 45 Ų | 45 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.4 | -32.5 | 175.2 | -78.8 | 178.3 | 0 | 0 | 0 | 113.5 | V25 K26 V27 Q32 C45 R249 | V25-L29 HydrophobicContact CG1-CD1 3.91Å; V25-L29 HydrophobicContact CG1-CG 4.31Å; V25-L29 WeakPolarHBondContact O-CB 3.33Å; V25-L29 WeakPolarHBondContact O-CG 3.25Å; V25-L29 PolarHBondContact O-N 3.39Å; K26-L29 PolarHBondContact O-N 3.35Å; V27-L29 PolarHBondContact O-N 3.48Å; L29-Q32 VanDerWaalsContact CD2-NE2 3.28Å; L29-Q32 WeakPolarHBondContact O-CG 3.39Å; L29-C45 HydrophobicContact CD2-CB 4.07Å; L29-C45 HydrophobicContact CG-CB 4.18Å; L29-R249 PolarHBondContact O-NE 3.45Å |
| 30 | Q | 61.3 | Low | 69.2 | Low | 13 Ų | 13 | 56 Ų | 56 | 6% | 0.061 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -75.4 | -24.7 | 178.6 | -76.6 | -177.5 | -15.1 | 0 | 0 | 112.5 | K26 V27 R28 Y208 S215 | K26-Q30 HydrophobicContact CG-CG 4.46Å; K26-Q30 WeakPolarHBondContact O-CB 3.49Å; K26-Q30 VanDerWaalsContact O-CG 3.31Å; K26-Q30 WeakPolarHBondContact O-CG 3.03Å; K26-Q30 PolarHBondContact O-N 2.98Å; V27-Q30 PolarHBondContact O-N 3.41Å; R28-Q30 VanDerWaalsContact C-N 3.35Å; Q30-Y208 PolarHBondContact NE2-OH 3.37Å; Q30-S215 VanDerWaalsContact OE1-CB 3.27Å; Q30-S215 PolarHBondContact OE1-OG 2.94Å |
| 31 | V | 64.5 | Low | 69.1 | Low | 30 Ų | 30 | 57.3 Ų | 57.3 | 18% | 0.182 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -111.7 | -9.3 | -173.1 | -178.3 | 0 | 0 | 0 | 0 | 114.9 | V27 R28 S33 L122 A219 R223 | V27-V31 WeakPolarHBondContact O-CG2 3.46Å; V27-V31 PolarHBondContact O-N 3.32Å; V27-V31 VanDerWaalsContact O-N 3.09Å; R28-V31 PolarHBondContact O-N 3.5Å; V31-S33 PolarHBondContact O-N 3.41Å; V31-L122 HydrophobicContact CB-CD1 4.36Å; V31-L122 HydrophobicContact CB-CD2 3.31Å; V31-L122 HydrophobicContact CB-CG 4.39Å; V31-L122 HydrophobicContact CG1-CD1 4.06Å; V31-L122 HydrophobicContact CG1-CD2 3.48Å; V31-L122 VanDerWaalsContact CG1-CD2 3.48Å; V31-L122 HydrophobicContact CG1-CG 4.21Å; V31-L122 HydrophobicContact CG2-CD1 3.73Å; V31-L122 HydrophobicContact CG2-CD2 3.35Å; V31-L122 HydrophobicContact CG2-CG 4.12Å; V31-A219 HydrophobicContact CG2-CB 4.2Å; V31-R223 PolarHBondContact O-NH1 3.16Å |
| 32 | Q | 63.7 | Low | 69 | Low | 15 Ų | 15 | 58.2 Ų | 58.2 | 7% | 0.07 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -57.1 | 143.4 | 169.6 | 61.4 | 170.6 | -31.9 | 0 | 0 | 111.4 | R28 L29 Y39 | R28-Q32 PolarHBondContact O-N 3.25Å; L29-Q32 VanDerWaalsContact CD2-NE2 3.28Å; L29-Q32 WeakPolarHBondContact O-CG 3.39Å; Q32-Y39 PolarHBondContact NE2-O 3.17Å; Q32-Y39 VanDerWaalsContact NE2-O 3.08Å; Q32-Y39 PolarHBondContact OE1-O 3.08Å |
| 33 | S | 57.7 | Low | 69.1 | Low | 57 Ų | 57 | 62.7 Ų | 62.7 | 40% | 0.399 | 31% | 0.313 | S | S | . | . | trans | -66.2 | 147.3 | 178.1 | 51.6 | 0 | 0 | 0 | 0 | 111.3 | V31 K36 | V31-S33 PolarHBondContact O-N 3.41Å; S33-K36 CarbonylContact O-C 3.59Å; S33-K36 PolarHBondContact OG-O 2.66Å | ||
| 34 | V | 57.7 | Low | 69.3 | Low | 69 Ų | 69 | 65.2 Ų | 65.2 | 42% | 0.418 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -77.7 | -39.1 | -178 | -174.3 | 0 | 0 | 0 | 0 | 110.9 | K36 E242 | V34-K36 VanDerWaalsContact C-N 3.31Å; V34-K36 PolarHBondContact O-N 3.33Å; V34-E242 HydrophobicContact CB-CG 4.16Å; V34-E242 HydrophobicContact CG1-CG 3.73Å; V34-E242 HydrophobicContact CG2-CG 3.4Å; V34-E242 VanDerWaalsContact CG2-OE1 3.28Å; V34-E242 WeakPolarHBondContact CG2-OE1 3.29Å; V34-E242 VanDerWaalsContact CG2-OE2 3.25Å; V34-E242 WeakPolarHBondContact CG2-OE2 3.39Å |
| 35 | E | 52.4 | Low | 69.5 | Low | 189 Ų | 189 | 65 Ų | 65 | 88% | 0.883 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -70 | -28.1 | -176 | -65.3 | 172.7 | -177 | 0 | 0 | 112.4 | ||
| 36 | K | 59.7 | Low | 69.7 | Low | 170 Ų | 170 | 68.5 Ų | 68.5 | 74% | 0.739 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -138.6 | 78.6 | 176.2 | -69.2 | -174.4 | -177.9 | 177.3 | 0 | 110.4 | S33 V34 Q38 | S33-K36 CarbonylContact O-C 3.59Å; S33-K36 PolarHBondContact OG-O 2.66Å; V34-K36 VanDerWaalsContact C-N 3.31Å; V34-K36 PolarHBondContact O-N 3.33Å; K36-Q38 PolarHBondContact O-N 3.04Å |
| 37 | P | 64.8 | Low | 70 | Confident | 78 Ų | 78 | 74.9 Ų | 74.9 | 51% | 0.506 | 37% | 0.365 | S | S | . | . | trans | -65.9 | 110.9 | -178.4 | 26.2 | -32 | 0 | 0 | 0 | 110.1 | Y39 | P37-Y39 VanDerWaalsContact C-N 3.26Å; P37-Y39 PolarHBondContact O-N 3.26Å | ||
| 38 | Q | 69.7 | Low | 70.4 | Confident | 134 Ų | 134 | 74.9 Ų | 74.9 | 63% | 0.626 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -68.6 | -26.8 | 174.2 | -80 | 179.4 | -20 | 0 | 0 | 112.1 | K36 | K36-Q38 PolarHBondContact O-N 3.04Š|
| 39 | Y | 74.8 | Confident | 70.7 | Confident | 18 Ų | 18 | 73.2 Ų | 73.2 | 7% | 0.071 | 36% | 0.36 | C | S | . | . | trans | -127.2 | 121.4 | -176.9 | -52.3 | -66.7 | 0 | 0 | 0 | 111.7 | R28 Q32 P37 G41 C45 | R28-Y39 HydrophobicContact CB-CE2 4.2Å; R28-Y39 PolarHBondContact NH1-OH 3.32Å; Q32-Y39 PolarHBondContact NE2-O 3.17Å; Q32-Y39 VanDerWaalsContact NE2-O 3.08Å; Q32-Y39 PolarHBondContact OE1-O 3.08Å; P37-Y39 VanDerWaalsContact C-N 3.26Å; P37-Y39 PolarHBondContact O-N 3.26Å; Y39-G41 VanDerWaalsContact C-N 3.26Å; Y39-G41 PolarHBondContact O-N 3.32Å; Y39-C45 HydrophobicContact CD1-CB 3.94Å; Y39-C45 HydrophobicContact CD2-CB 4.4Å; Y39-C45 HydrophobicContact CG-CB 3.82Å | ||
| 40 | R | 71.5 | Confident | 71.2 | Confident | 233 Ų | 233 | 76 Ų | 76 | 88% | 0.879 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -68.9 | -16.8 | 177.9 | -75.8 | -176.3 | 165.6 | -138.3 | -1.4 | 114.6 | H44 | R40-H44 HydrophobicContact CB-CB 4.3Š|
| 41 | G | 76.2 | Confident | 72.2 | Confident | 26 Ų | 26 | 84.4 Ų | 84.4 | 27% | 0.268 | 41% | 0.41 | S | S | . | . | S | Bend | trans | 169 | -176.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y39 L43 H44 C45 | Y39-G41 VanDerWaalsContact C-N 3.26Å; Y39-G41 PolarHBondContact O-N 3.32Å; G41-L43 PolarHBondContact O-N 3.05Å; G41-H44 PolarHBondContact O-N 3.13Å; G41-C45 WeakPolarHBondContact O-CB 3.26Å; G41-C45 PolarHBondContact O-N 3.47Å |
| 42 | T | 76.3 | Confident | 72.8 | Confident | 33 Ų | 33 | 89.6 Ų | 89.6 | 20% | 0.202 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -56.7 | -50 | -176.3 | -51 | 0 | 0 | 0 | 0 | 112.9 | V25 H44 C45 F46 | V25-T42 HydrophobicContact CG1-CG2 3.68Å; T42-H44 PolarHBondContact O-N 3.32Å; T42-C45 PolarHBondContact O-N 2.81Å; T42-F46 WeakPolarHBondContact O-CB 3.42Å; T42-F46 PolarHBondContact O-N 2.95Å |
| 43 | L | 81.2 | Confident | 73.2 | Confident | 134 Ų | 134 | 91.4 Ų | 91.4 | 70% | 0.702 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -67.5 | -36.8 | -179.2 | -64.3 | 174.5 | 0 | 0 | 0 | 112.5 | G41 K47 | G41-L43 PolarHBondContact O-N 3.05Å; L43-K47 WeakPolarHBondContact O-CB 3.43Å; L43-K47 WeakPolarHBondContact O-CG 3.22Å; L43-K47 PolarHBondContact O-N 3.29Å |
| 44 | H | 80.3 | Confident | 74.1 | Confident | 84 Ų | 84 | 92 Ų | 92 | 39% | 0.389 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -68.3 | -44.9 | 176.8 | -172 | -91.6 | 0 | 0 | 0 | 110.7 | R40 G41 T42 F46 K47 S48 | R40-H44 HydrophobicContact CB-CB 4.3Å; G41-H44 PolarHBondContact O-N 3.13Å; T42-H44 PolarHBondContact O-N 3.32Å; H44-F46 PolarHBondContact O-N 3.12Å; H44-K47 PolarHBondContact O-N 3Å; H44-S48 VanDerWaalsContact O-CB 3.28Å; H44-S48 WeakPolarHBondContact O-CB 3.45Å; H44-S48 PolarHBondContact O-N 3.47Å; H44-S48 PolarHBondContact O-OG 3.03Å |
| 45 | C | 78 | Confident | 75 | Confident | 0 Ų | 0 | 92.5 Ų | 92.5 | 0% | 0 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -58.8 | -48.5 | 175.9 | -170.6 | 0 | 0 | 0 | 0 | 111.3 | V25 L29 Y39 G41 T42 K47 S48 I49 | V25-C45 HydrophobicContact CG1-CB 3.99Å; L29-C45 HydrophobicContact CD2-CB 4.07Å; L29-C45 HydrophobicContact CG-CB 4.18Å; Y39-C45 HydrophobicContact CD1-CB 3.94Å; Y39-C45 HydrophobicContact CD2-CB 4.4Å; Y39-C45 HydrophobicContact CG-CB 3.82Å; G41-C45 WeakPolarHBondContact O-CB 3.26Å; G41-C45 PolarHBondContact O-N 3.47Å; T42-C45 PolarHBondContact O-N 2.81Å; C45-K47 PolarHBondContact O-N 3.26Å; C45-S48 PolarHBondContact O-N 3.4Å; C45-I49 WeakPolarHBondContact O-CD1 3.25Å; C45-I49 VanDerWaalsContact O-CG1 3.23Å; C45-I49 WeakPolarHBondContact O-CG1 3.38Å; C45-I49 PolarHBondContact O-N 3.17Å |
| 46 | F | 81.5 | Confident | 76 | Confident | 76 Ų | 76 | 90.3 Ų | 90.3 | 33% | 0.333 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -58.1 | -50.3 | 177.6 | -174.4 | -98 | 0 | 0 | 0 | 112.5 | P21 V25 T42 H44 S48 I49 I50 L58 | P21-F46 HydrophobicContact CB-CE2 4.44Å; V25-F46 HydrophobicContact CG2-CB 4.06Å; V25-F46 HydrophobicContact CG2-CD2 3.96Å; T42-F46 WeakPolarHBondContact O-CB 3.42Å; T42-F46 PolarHBondContact O-N 2.95Å; H44-F46 PolarHBondContact O-N 3.12Å; F46-S48 PolarHBondContact O-N 3.48Å; F46-I49 PolarHBondContact O-N 3.49Å; F46-I50 HydrophobicContact CD1-CD1 3.81Å; F46-I50 HydrophobicContact CE1-CD1 3.29Å; F46-I50 HydrophobicContact CE1-CG1 4.49Å; F46-I50 HydrophobicContact CE2-CD1 4.37Å; F46-I50 HydrophobicContact CZ-CD1 3.62Å; F46-I50 PolarHBondContact O-N 3.44Å; F46-I50 VanDerWaalsContact O-N 3.15Å; F46-L58 HydrophobicContact CD2-CD1 4.47Å; F46-L58 HydrophobicContact CD2-CD2 3.98Å; F46-L58 HydrophobicContact CE2-CD1 3.74Å; F46-L58 HydrophobicContact CE2-CD2 3.99Å; F46-L58 HydrophobicContact CZ-CD1 4.12Å |
| 47 | K | 82.8 | Confident | 76.4 | Confident | 155 Ų | 155 | 82.4 Ų | 82.4 | 67% | 0.674 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -62.6 | -40.6 | 177.3 | -75.5 | -176.7 | 177.8 | -175.8 | 0 | 112.4 | L43 H44 C45 I50 K51 | L43-K47 WeakPolarHBondContact O-CB 3.43Å; L43-K47 WeakPolarHBondContact O-CG 3.22Å; L43-K47 PolarHBondContact O-N 3.29Å; H44-K47 PolarHBondContact O-N 3Å; C45-K47 PolarHBondContact O-N 3.26Å; K47-I50 PolarHBondContact O-N 3.24Å; K47-K51 WeakPolarHBondContact O-CB 3.28Å; K47-K51 PolarHBondContact O-N 2.91Å |
| 48 | S | 78.8 | Confident | 76.8 | Confident | 18 Ų | 18 | 79 Ų | 79 | 13% | 0.126 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 177.8 | -67.2 | 0 | 0 | 0 | 0 | 112 | H44 C45 F46 K51 Q52 | H44-S48 VanDerWaalsContact O-CB 3.28Å; H44-S48 WeakPolarHBondContact O-CB 3.45Å; H44-S48 PolarHBondContact O-N 3.47Å; H44-S48 PolarHBondContact O-OG 3.03Å; C45-S48 PolarHBondContact O-N 3.4Å; F46-S48 PolarHBondContact O-N 3.48Å; S48-K51 PolarHBondContact O-N 3.13Å; S48-Q52 VanDerWaalsContact O-CB 3.27Å; S48-Q52 WeakPolarHBondContact O-CB 3.29Å; S48-Q52 VanDerWaalsContact O-CG 3.3Å; S48-Q52 WeakPolarHBondContact O-CG 3.05Å; S48-Q52 PolarHBondContact O-N 3.47Å |
| 49 | I | 78.7 | Confident | 77.1 | Confident | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.2 | -48.5 | 177.3 | -66 | 161 | 0 | 0 | 0 | 110.3 | T24 V25 C45 F46 K51 Q52 E53 S54 L58 | T24-I49 HydrophobicContact CG2-CD1 4.36Å; V25-I49 HydrophobicContact CG2-CD1 3.98Å; C45-I49 WeakPolarHBondContact O-CD1 3.25Å; C45-I49 VanDerWaalsContact O-CG1 3.23Å; C45-I49 WeakPolarHBondContact O-CG1 3.38Å; C45-I49 PolarHBondContact O-N 3.17Å; F46-I49 PolarHBondContact O-N 3.49Å; I49-K51 VanDerWaalsContact C-N 3.27Å; I49-K51 PolarHBondContact O-N 3.14Å; I49-Q52 PolarHBondContact O-N 3.44Å; I49-E53 WeakPolarHBondContact O-CA 3.29Å; I49-E53 PolarHBondContact O-N 3.21Å; I49-S54 PolarHBondContact O-N 2.91Å; I49-L58 HydrophobicContact CB-CD2 4.29Å; I49-L58 HydrophobicContact CD1-CD2 4.23Å; I49-L58 HydrophobicContact CG2-CD2 3.8Å; I49-L58 HydrophobicContact CG2-CG 4.02Å |
| 50 | I | 83.1 | Confident | 76.7 | Confident | 64 Ų | 64 | 79.1 Ų | 79.1 | 33% | 0.328 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.5 | -41.2 | 178.9 | -66.8 | 174.1 | 0 | 0 | 0 | 110.8 | F46 K47 S54 L58 | F46-I50 HydrophobicContact CD1-CD1 3.81Å; F46-I50 HydrophobicContact CE1-CD1 3.29Å; F46-I50 HydrophobicContact CE1-CG1 4.49Å; F46-I50 HydrophobicContact CE2-CD1 4.37Å; F46-I50 HydrophobicContact CZ-CD1 3.62Å; F46-I50 PolarHBondContact O-N 3.44Å; F46-I50 VanDerWaalsContact O-N 3.15Å; K47-I50 PolarHBondContact O-N 3.24Å; I50-S54 VanDerWaalsContact O-CA 3.26Å; I50-S54 WeakPolarHBondContact O-CA 3.49Å; I50-S54 PolarHBondContact O-N 3.25Å; I50-L58 HydrophobicContact CD1-CD1 4.2Å; I50-L58 HydrophobicContact CG1-CD1 3.92Å |
| 51 | K | 82.2 | Confident | 76.4 | Confident | 189 Ų | 189 | 69.4 Ų | 69.4 | 82% | 0.822 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -71.4 | -32.9 | -178.7 | -168.4 | 176.5 | -179.4 | -178.7 | 0 | 113.4 | K47 S48 I49 | K47-K51 WeakPolarHBondContact O-CB 3.28Å; K47-K51 PolarHBondContact O-N 2.91Å; S48-K51 PolarHBondContact O-N 3.13Å; I49-K51 VanDerWaalsContact C-N 3.27Å; I49-K51 PolarHBondContact O-N 3.14Å |
| 52 | Q | 78.5 | Confident | 76.1 | Confident | 139 Ų | 139 | 69.4 Ų | 69.4 | 65% | 0.65 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -99.6 | -34 | -173.2 | -67.9 | 175.5 | -11.2 | 0 | 0 | 113.7 | S48 I49 | S48-Q52 VanDerWaalsContact O-CB 3.27Å; S48-Q52 WeakPolarHBondContact O-CB 3.29Å; S48-Q52 VanDerWaalsContact O-CG 3.3Å; S48-Q52 WeakPolarHBondContact O-CG 3.05Å; S48-Q52 PolarHBondContact O-N 3.47Å; I49-Q52 PolarHBondContact O-N 3.44Å |
| 53 | E | 71.3 | Confident | 75.6 | Confident | 54 Ų | 54 | 70 Ų | 70 | 25% | 0.252 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -123.6 | 5.2 | -172.3 | -65.3 | -177.5 | -143.9 | 0 | 0 | 113.1 | R28 I49 G57 | R28-E53 IonicContact CZ-OE1 3.53Å; R28-E53 VanDerWaalsContact CZ-OE1 3.27Å; R28-E53 IonicContact CZ-OE2 2.72Å; R28-E53 IonicContact NH1-OE1 2.67Å; R28-E53 PolarHBondContact NH1-OE1 3.17Å; R28-E53 IonicContact NH1-OE2 3.24Å; R28-E53 IonicContact NH2-OE1 3.75Å; R28-E53 PolarHBondContact NH2-OE1 3.27Å; R28-E53 IonicContact NH2-OE2 2.98Å; R28-E53 PolarHBondContact NH2-OE2 3.33Å; I49-E53 WeakPolarHBondContact O-CA 3.29Å; I49-E53 PolarHBondContact O-N 3.21Å; E53-G57 PolarHBondContact O-N 3.34Å |
| 54 | S | 77.6 | Confident | 74.9 | Confident | 69 Ų | 69 | 64.1 Ų | 64.1 | 48% | 0.483 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | 62.3 | 178.8 | -173.8 | -169.2 | 0 | 0 | 0 | 0 | 113.3 | I49 I50 L56 G57 | I49-S54 PolarHBondContact O-N 2.91Å; I50-S54 VanDerWaalsContact O-CA 3.26Å; I50-S54 WeakPolarHBondContact O-CA 3.49Å; I50-S54 PolarHBondContact O-N 3.25Å; S54-L56 PolarHBondContact O-N 3.01Å; S54-G57 PolarHBondContact O-N 3.04Å; S54-G57 VanDerWaalsContact O-N 3.07Å |
| 55 | V | 76.3 | Confident | 74 | Confident | 80 Ų | 80 | 61.5 Ų | 61.5 | 49% | 0.485 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.9 | -30.9 | 177.7 | -179.9 | 0 | 0 | 0 | 0 | 111.1 | G57 L58 Y59 | V55-G57 PolarHBondContact O-N 3.39Å; V55-L58 WeakPolarHBondContact O-CB 2.95Å; V55-L58 PolarHBondContact O-N 3.44Å; V55-L58 VanDerWaalsContact O-N 3.14Å; V55-Y59 HydrophobicContact CG1-CE2 4.24Å; V55-Y59 WeakPolarHBondContact O-CD2 3.39Å |
| 56 | L | 72.9 | Confident | 73.6 | Confident | 142 Ų | 142 | 64.1 Ų | 64.1 | 74% | 0.743 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -64.5 | -27.1 | 175.9 | -65.7 | 174.2 | 0 | 0 | 0 | 113 | S54 L58 Y59 K60 | S54-L56 PolarHBondContact O-N 3.01Å; L56-L58 PolarHBondContact O-N 2.91Å; L56-Y59 PolarHBondContact O-N 2.67Å; L56-Y59 VanDerWaalsContact O-N 3.13Å; L56-K60 PolarHBondContact O-N 2.81Å |
| 57 | G | 68.3 | Low | 72.8 | Confident | 5 Ų | 5 | 67.4 Ų | 67.4 | 5% | 0.052 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.1 | -30.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | E53 S54 V55 Y59 K60 | E53-G57 PolarHBondContact O-N 3.34Å; S54-G57 PolarHBondContact O-N 3.04Å; S54-G57 VanDerWaalsContact O-N 3.07Å; V55-G57 PolarHBondContact O-N 3.39Å; G57-Y59 VanDerWaalsContact C-N 3.29Å; G57-Y59 PolarHBondContact O-N 2.7Å; G57-K60 WeakPolarHBondContact O-CB 3.23Å; G57-K60 PolarHBondContact O-N 3.05Å |
| 58 | L | 73.3 | Confident | 72 | Confident | 7 Ų | 7 | 60.1 Ų | 60.1 | 4% | 0.037 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.8 | -28.9 | 176.4 | -67.3 | 167.4 | 0 | 0 | 0 | 112.4 | H20 P21 T24 F46 I49 I50 V55 L56 | H20-L58 PolarHBondContact CD2-O 2.9Å; P21-L58 HydrophobicContact CB-CB 4.21Å; P21-L58 HydrophobicContact CB-CD1 4.37Å; P21-L58 HydrophobicContact CB-CD2 4.29Å; P21-L58 HydrophobicContact CG-CB 4.41Å; T24-L58 PolarHBondContact OG1-O 3.35Å; F46-L58 HydrophobicContact CD2-CD1 4.47Å; F46-L58 HydrophobicContact CD2-CD2 3.98Å; F46-L58 HydrophobicContact CE2-CD1 3.74Å; F46-L58 HydrophobicContact CE2-CD2 3.99Å; F46-L58 HydrophobicContact CZ-CD1 4.12Å; I49-L58 HydrophobicContact CB-CD2 4.29Å; I49-L58 HydrophobicContact CD1-CD2 4.23Å; I49-L58 HydrophobicContact CG2-CD2 3.8Å; I49-L58 HydrophobicContact CG2-CG 4.02Å; I50-L58 HydrophobicContact CD1-CD1 4.2Å; I50-L58 HydrophobicContact CG1-CD1 3.92Å; V55-L58 WeakPolarHBondContact O-CB 2.95Å; V55-L58 PolarHBondContact O-N 3.44Å; V55-L58 VanDerWaalsContact O-N 3.14Å; L56-L58 PolarHBondContact O-N 2.91Å |
| 59 | Y | 74.8 | Confident | 71.4 | Confident | 85 Ų | 85 | 60.9 Ų | 60.9 | 33% | 0.333 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 6.3 | -178 | -66.6 | -81.8 | 0 | 0 | 0 | 114 | L17 P21 V55 L56 G57 G61 L62 | L17-Y59 WeakPolarHBondContact O-CE1 3.46Å; P21-Y59 HydrophobicContact CG-CE1 4.25Å; P21-Y59 HydrophobicContact CG-CE2 4.47Å; V55-Y59 HydrophobicContact CG1-CE2 4.24Å; V55-Y59 WeakPolarHBondContact O-CD2 3.39Å; L56-Y59 PolarHBondContact O-N 2.67Å; L56-Y59 VanDerWaalsContact O-N 3.13Å; G57-Y59 VanDerWaalsContact C-N 3.29Å; G57-Y59 PolarHBondContact O-N 2.7Å; Y59-G61 PolarHBondContact O-N 3.09Å; Y59-L62 HydrophobicContact CD1-CD1 4.5Å; Y59-L62 HydrophobicContact CD1-CD2 4.02Å; Y59-L62 WeakPolarHBondContact O-CB 3.48Å; Y59-L62 PolarHBondContact O-N 3.33Å; Y59-L62 VanDerWaalsContact O-N 3.13Å |
| 60 | K | 67 | Low | 70.8 | Confident | 69 Ų | 69 | 64.8 Ų | 64.8 | 30% | 0.3 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 129 | 177.6 | -159 | 175.1 | -179.5 | -176.2 | 0 | 110.4 | H20 L56 G57 | H20-K60 PolarHBondContact NE2-O 3.33Å; L56-K60 PolarHBondContact O-N 2.81Å; G57-K60 WeakPolarHBondContact O-CB 3.23Å; G57-K60 PolarHBondContact O-N 3.05Å |
| 61 | G | 66.2 | Low | 70.2 | Confident | 28 Ų | 28 | 67.6 Ų | 67.6 | 29% | 0.289 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | 9.4 | -178 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y59 G63 P65 | Y59-G61 PolarHBondContact O-N 3.09Å; G61-G63 PolarHBondContact O-N 3.32Å; G61-P65 WeakPolarHBondContact O-CD 3.33Å |
| 62 | L | 69.6 | Low | 69.8 | Low | 27 Ų | 27 | 59.7 Ų | 59.7 | 14% | 0.141 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -27.6 | 177.2 | -177.1 | 74.7 | 0 | 0 | 0 | 113.5 | V16 L17 H20 Y59 S64 P65 L66 | V16-L62 HydrophobicContact CG1-CD1 3.84Å; L17-L62 HydrophobicContact CD2-CD1 4.42Å; L17-L62 HydrophobicContact CD2-CD2 3.73Å; H20-L62 HydrophobicContact CB-CD1 3.81Å; Y59-L62 HydrophobicContact CD1-CD1 4.5Å; Y59-L62 HydrophobicContact CD1-CD2 4.02Å; Y59-L62 WeakPolarHBondContact O-CB 3.48Å; Y59-L62 PolarHBondContact O-N 3.33Å; Y59-L62 VanDerWaalsContact O-N 3.13Å; L62-S64 VanDerWaalsContact C-N 3.27Å; L62-S64 PolarHBondContact O-N 3.47Å; L62-P65 VanDerWaalsContact O-CD 3.23Å; L62-P65 WeakPolarHBondContact O-CD 3.37Å; L62-L66 HydrophobicContact CD1-CD1 4.35Å; L62-L66 HydrophobicContact CD1-CG 4.39Å; L62-L66 HydrophobicContact CD2-CD1 3.77Å; L62-L66 HydrophobicContact CG-CD1 3.67Å; L62-L66 HydrophobicContact CG-CG 4.09Å; L62-L66 PolarHBondContact O-N 2.94Å |
| 63 | G | 65.6 | Low | 69.4 | Low | 44 Ų | 44 | 55 Ų | 55 | 45% | 0.454 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.7 | -31.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | G61 M67 | G61-G63 PolarHBondContact O-N 3.32Å; G63-M67 WeakPolarHBondContact O-CB 3.4Å; G63-M67 WeakPolarHBondContact O-CG 3.4Å; G63-M67 PolarHBondContact O-N 3.02Å |
| 64 | S | 65.4 | Low | 69.4 | Low | 12 Ų | 12 | 54.9 Ų | 54.9 | 8% | 0.084 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69.8 | -48.1 | 179.9 | 172.1 | 0 | 0 | 0 | 0 | 113 | L62 G68 S134 | L62-S64 VanDerWaalsContact C-N 3.27Å; L62-S64 PolarHBondContact O-N 3.47Å; S64-G68 PolarHBondContact O-N 3.15Å; S64-S134 WeakPolarHBondContact CB-OG 3.42Å |
| 65 | P | 63.3 | Low | 69.4 | Low | 28 Ų | 28 | 53.5 Ų | 53.5 | 18% | 0.182 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.3 | -43.6 | 169.5 | -27.9 | 31.9 | 0 | 0 | 0 | 114.5 | V16 G61 L62 G68 L69 K117 | V16-P65 HydrophobicContact CG1-CB 3.9Å; G61-P65 WeakPolarHBondContact O-CD 3.33Å; L62-P65 VanDerWaalsContact O-CD 3.23Å; L62-P65 WeakPolarHBondContact O-CD 3.37Å; P65-G68 PolarHBondContact O-N 3.25Å; P65-L69 PolarHBondContact O-N 2.88Å; P65-L69 VanDerWaalsContact O-N 3.14Å; P65-K117 HydrophobicContact CG-CD 3.65Å |
| 66 | L | 68.4 | Low | 69.3 | Low | 56 Ų | 56 | 50.9 Ų | 50.9 | 29% | 0.293 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -72.1 | -41 | -174.7 | -70.7 | 179.7 | 0 | 0 | 0 | 112.6 | V13 V16 L62 G68 L69 | V13-L66 HydrophobicContact CG1-CD2 4.14Å; V13-L66 HydrophobicContact CG2-CD2 4.42Å; V16-L66 HydrophobicContact CB-CD2 4.4Å; V16-L66 HydrophobicContact CG1-CD2 4Å; V16-L66 HydrophobicContact CG1-CG 4.46Å; L62-L66 HydrophobicContact CD1-CD1 4.35Å; L62-L66 HydrophobicContact CD1-CG 4.39Å; L62-L66 HydrophobicContact CD2-CD1 3.77Å; L62-L66 HydrophobicContact CG-CD1 3.67Å; L62-L66 HydrophobicContact CG-CG 4.09Å; L62-L66 PolarHBondContact O-N 2.94Å; L66-G68 VanDerWaalsContact C-N 3.27Å; L66-G68 PolarHBondContact O-N 3.44Å; L66-L69 PolarHBondContact O-N 2.89Å |
| 67 | M | 64.6 | Low | 69.4 | Low | 144 Ų | 144 | 49.6 Ų | 49.6 | 71% | 0.709 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -64.1 | -34.7 | 174.4 | -77.6 | -163.1 | -56.5 | 0 | 0 | 112.2 | G63 | G63-M67 WeakPolarHBondContact O-CB 3.4Å; G63-M67 WeakPolarHBondContact O-CG 3.4Å; G63-M67 PolarHBondContact O-N 3.02Å |
| 68 | G | 65.6 | Low | 69.9 | Low | 3 Ų | 3 | 51.3 Ų | 51.3 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -74 | -31.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | S64 P65 L66 T70 F71 I72 | S64-G68 PolarHBondContact O-N 3.15Å; P65-G68 PolarHBondContact O-N 3.25Å; L66-G68 VanDerWaalsContact C-N 3.27Å; L66-G68 PolarHBondContact O-N 3.44Å; G68-T70 PolarHBondContact O-N 3.14Å; G68-F71 PolarHBondContact O-N 3.26Å; G68-I72 WeakPolarHBondContact O-CB 3.48Å; G68-I72 WeakPolarHBondContact O-CD1 3.44Å; G68-I72 WeakPolarHBondContact O-CG1 3.21Å; G68-I72 PolarHBondContact O-N 2.85Å |
| 69 | L | 67.4 | Low | 70.1 | Confident | 33 Ų | 33 | 52.3 Ų | 52.3 | 17% | 0.173 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61 | -51.2 | -164.9 | -169.3 | 70.5 | 0 | 0 | 0 | 113.4 | V13 P65 L66 N73 | V13-L69 HydrophobicContact CG2-CD2 3.82Å; P65-L69 PolarHBondContact O-N 2.88Å; P65-L69 VanDerWaalsContact O-N 3.14Å; L66-L69 PolarHBondContact O-N 2.89Å; L69-N73 VanDerWaalsContact O-CB 3.32Å; L69-N73 WeakPolarHBondContact O-CB 3.18Å; L69-N73 PolarHBondContact O-N 2.95Å; L69-N73 PolarHBondContact O-ND2 3.06Å |
| 70 | T | 65.1 | Low | 70.2 | Confident | 82 Ų | 82 | 51 Ų | 51 | 50% | 0.503 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.6 | -40.7 | -179.4 | -50.9 | 0 | 0 | 0 | 0 | 111.4 | G68 A74 | G68-T70 PolarHBondContact O-N 3.14Å; T70-A74 VanDerWaalsContact O-CB 3.23Å; T70-A74 WeakPolarHBondContact O-CB 3.5Å; T70-A74 PolarHBondContact O-N 2.96Å |
| 71 | F | 71.8 | Confident | 70.6 | Confident | 123 Ų | 123 | 48.8 Ų | 48.8 | 54% | 0.539 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68.4 | -43.9 | -179.7 | -176 | -106.6 | 0 | 0 | 0 | 112.1 | G68 L75 I109 | G68-F71 PolarHBondContact O-N 3.26Å; F71-L75 HydrophobicContact CE1-CD1 4.34Å; F71-L75 HydrophobicContact CZ-CD1 4.36Å; F71-L75 WeakPolarHBondContact O-CB 3.32Å; F71-L75 PolarHBondContact O-N 3Å; F71-I109 HydrophobicContact CE1-CD1 4.12Å; F71-I109 HydrophobicContact CE1-CG2 4.38Å |
| 72 | I | 72.7 | Confident | 71.3 | Confident | 24 Ų | 24 | 52 Ų | 52 | 12% | 0.123 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.7 | -49.2 | 175.5 | -73.1 | 162.5 | 0 | 0 | 0 | 110.2 | G68 L75 V76 Q106 C110 M113 | G68-I72 WeakPolarHBondContact O-CB 3.48Å; G68-I72 WeakPolarHBondContact O-CD1 3.44Å; G68-I72 WeakPolarHBondContact O-CG1 3.21Å; G68-I72 PolarHBondContact O-N 2.85Å; I72-L75 PolarHBondContact O-N 2.67Å; I72-V76 HydrophobicContact CG2-CG2 4.26Å; I72-V76 WeakPolarHBondContact O-CB 3.31Å; I72-V76 VanDerWaalsContact O-CG2 3.27Å; I72-V76 WeakPolarHBondContact O-CG2 3.29Å; I72-V76 PolarHBondContact O-N 3.36Å; I72-Q106 HydrophobicContact CG2-CG 3.88Å; I72-Q106 VanDerWaalsContact CG2-NE2 3.26Å; I72-C110 WeakPolarHBondContact CD1-SG 3.24Å; I72-M113 HydrophobicContact CD1-CE 3.31Å; I72-M113 HydrophobicContact CG1-CE 3.89Å |
| 73 | N | 70.3 | Confident | 71.8 | Confident | 40 Ų | 40 | 52.4 Ų | 52.4 | 21% | 0.214 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.8 | -46.4 | -179.1 | -72.8 | -17.1 | 0 | 0 | 0 | 110.8 | F5 L69 L75 V76 F77 | F5-N73 HydrophobicContact CE2-CB 4.36Å; L69-N73 VanDerWaalsContact O-CB 3.32Å; L69-N73 WeakPolarHBondContact O-CB 3.18Å; L69-N73 PolarHBondContact O-N 2.95Å; L69-N73 PolarHBondContact O-ND2 3.06Å; N73-L75 VanDerWaalsContact C-N 3.28Å; N73-L75 PolarHBondContact O-N 2.97Å; N73-V76 PolarHBondContact O-N 3.43Å; N73-F77 HydrophobicContact CB-CD2 4.47Å; N73-F77 HydrophobicContact CB-CE2 4.38Å; N73-F77 WeakPolarHBondContact O-CD2 3.4Å; N73-F77 PolarHBondContact O-N 2.8Å |
| 74 | A | 70.8 | Confident | 72.3 | Confident | 52 Ų | 52 | 52.3 Ų | 52.3 | 43% | 0.43 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.1 | -41.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T70 G78 | T70-A74 VanDerWaalsContact O-CB 3.23Å; T70-A74 WeakPolarHBondContact O-CB 3.5Å; T70-A74 PolarHBondContact O-N 2.96Å; A74-G78 PolarHBondContact O-N 3.48Å |
| 75 | L | 77.4 | Confident | 73 | Confident | 40 Ų | 40 | 60.5 Ų | 60.5 | 21% | 0.209 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68.6 | -42.5 | 179 | -173.9 | 137.9 | 0 | 0 | 0 | 112.1 | F71 I72 N73 G78 V79 I105 I109 | F71-L75 HydrophobicContact CE1-CD1 4.34Å; F71-L75 HydrophobicContact CZ-CD1 4.36Å; F71-L75 WeakPolarHBondContact O-CB 3.32Å; F71-L75 PolarHBondContact O-N 3Å; I72-L75 PolarHBondContact O-N 2.67Å; N73-L75 VanDerWaalsContact C-N 3.28Å; N73-L75 PolarHBondContact O-N 2.97Å; L75-G78 PolarHBondContact O-N 2.88Å; L75-V79 HydrophobicContact CD2-CG2 4.42Å; L75-V79 WeakPolarHBondContact O-CB 3.27Å; L75-V79 VanDerWaalsContact O-CG2 3.22Å; L75-V79 WeakPolarHBondContact O-CG2 3.49Å; L75-V79 PolarHBondContact O-N 2.87Å; L75-I105 HydrophobicContact CD2-CB 4.33Å; L75-I105 HydrophobicContact CD2-CG2 3.72Å; L75-I109 HydrophobicContact CD1-CD1 3.41Å; L75-I109 VanDerWaalsContact CD1-CD1 3.41Å; L75-I109 HydrophobicContact CD2-CD1 4.16Å; L75-I109 HydrophobicContact CG-CD1 4.41Å |
| 76 | V | 75.9 | Confident | 73.9 | Confident | 24 Ų | 24 | 63.3 Ų | 63.3 | 15% | 0.145 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.4 | -50.5 | 175.5 | 168 | 0 | 0 | 0 | 0 | 110.7 | I72 N73 G78 V79 Q80 A102 Q106 | I72-V76 HydrophobicContact CG2-CG2 4.26Å; I72-V76 WeakPolarHBondContact O-CB 3.31Å; I72-V76 VanDerWaalsContact O-CG2 3.27Å; I72-V76 WeakPolarHBondContact O-CG2 3.29Å; I72-V76 PolarHBondContact O-N 3.36Å; N73-V76 PolarHBondContact O-N 3.43Å; V76-G78 VanDerWaalsContact C-N 3.35Å; V76-G78 PolarHBondContact O-N 3.32Å; V76-V79 PolarHBondContact O-N 3.32Å; V76-Q80 WeakPolarHBondContact O-CB 3.35Å; V76-Q80 PolarHBondContact O-N 3.15Å; V76-A102 HydrophobicContact CG1-CB 4.23Å; V76-Q106 HydrophobicContact CG2-CB 3.85Å; V76-Q106 HydrophobicContact CG2-CG 3.95Å |
| 77 | F | 73.8 | Confident | 74.4 | Confident | 115 Ų | 115 | 63.5 Ų | 63.5 | 50% | 0.504 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.1 | -36.6 | 178.6 | -73 | -64 | 0 | 0 | 0 | 112.5 | F5 N73 G81 | F5-F77 AromaticContact CD2-CD2 3.81Å; F5-F77 HydrophobicContact CD2-CD2 3.81Å; F5-F77 AromaticContact CD2-CE2 3.66Å; F5-F77 HydrophobicContact CD2-CE2 3.66Å; F5-F77 HydrophobicContact CD2-CZ 4.46Å; F5-F77 AromaticContact CE2-CD2 3.53Å; F5-F77 HydrophobicContact CE2-CD2 3.53Å; F5-F77 AromaticContact CE2-CE2 3.63Å; F5-F77 HydrophobicContact CE2-CE2 3.63Å; N73-F77 HydrophobicContact CB-CD2 4.47Å; N73-F77 HydrophobicContact CB-CE2 4.38Å; N73-F77 WeakPolarHBondContact O-CD2 3.4Å; N73-F77 PolarHBondContact O-N 2.8Å; F77-G81 PolarHBondContact O-N 3.48Å |
| 78 | G | 78.3 | Confident | 74.5 | Confident | 42 Ų | 42 | 59.6 Ų | 59.6 | 43% | 0.433 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.9 | -48.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A74 L75 V76 N82 | A74-G78 PolarHBondContact O-N 3.48Å; L75-G78 PolarHBondContact O-N 2.88Å; V76-G78 VanDerWaalsContact C-N 3.35Å; V76-G78 PolarHBondContact O-N 3.32Å; G78-N82 VanDerWaalsContact O-CB 3.29Å; G78-N82 WeakPolarHBondContact O-CB 3.48Å; G78-N82 PolarHBondContact O-N 2.98Å |
| 79 | V | 77.6 | Confident | 74.9 | Confident | 27 Ų | 27 | 66.3 Ų | 66.3 | 16% | 0.164 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -67.6 | -46.7 | 178.7 | 174.5 | 0 | 0 | 0 | 0 | 110.8 | L75 V76 G81 N82 T83 A101 A102 I105 | L75-V79 HydrophobicContact CD2-CG2 4.42Å; L75-V79 WeakPolarHBondContact O-CB 3.27Å; L75-V79 VanDerWaalsContact O-CG2 3.22Å; L75-V79 WeakPolarHBondContact O-CG2 3.49Å; L75-V79 PolarHBondContact O-N 2.87Å; V76-V79 PolarHBondContact O-N 3.32Å; V79-G81 PolarHBondContact O-N 2.87Å; V79-N82 PolarHBondContact O-N 3.36Å; V79-T83 VanDerWaalsContact O-CB 3.27Å; V79-T83 WeakPolarHBondContact O-CB 3.31Å; V79-T83 PolarHBondContact O-N 3.09Å; V79-T83 PolarHBondContact O-OG1 3.22Å; V79-A101 HydrophobicContact CG1-CB 4.44Å; V79-A102 HydrophobicContact CB-CB 4.11Å; V79-A102 HydrophobicContact CG1-CB 3.98Å; V79-I105 HydrophobicContact CB-CD1 4.45Å; V79-I105 HydrophobicContact CG1-CD1 3.79Å; V79-I105 HydrophobicContact CG2-CB 4.46Å; V79-I105 HydrophobicContact CG2-CD1 3.74Å; V79-I105 HydrophobicContact CG2-CG2 4.46Å |
| 80 | Q | 77.5 | Confident | 74.9 | Confident | 57 Ų | 57 | 70.9 Ų | 70.9 | 27% | 0.266 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.6 | -48.1 | 179 | -175.1 | 177.9 | -5 | 0 | 0 | 110.8 | V76 N82 T83 L84 A98 A102 | V76-Q80 WeakPolarHBondContact O-CB 3.35Å; V76-Q80 PolarHBondContact O-N 3.15Å; Q80-N82 PolarHBondContact O-N 2.68Å; Q80-T83 PolarHBondContact O-N 3.47Å; Q80-L84 VanDerWaalsContact O-CB 3.32Å; Q80-L84 WeakPolarHBondContact O-CB 3.43Å; Q80-L84 PolarHBondContact O-N 3.44Å; Q80-A98 HydrophobicContact CG-CB 4.21Å; Q80-A102 HydrophobicContact CB-CB 4.1Å |
| 81 | G | 75.6 | Confident | 75.4 | Confident | 24 Ų | 24 | 69 Ų | 69 | 25% | 0.247 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.4 | -37.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | F77 V79 R85 | F77-G81 PolarHBondContact O-N 3.48Å; V79-G81 PolarHBondContact O-N 2.87Å; G81-R85 WeakPolarHBondContact O-CB 3.45Å; G81-R85 WeakPolarHBondContact O-CG 3.44Å; G81-R85 PolarHBondContact O-N 2.95Å; G81-R85 VanDerWaalsContact O-N 3.1Å; G81-R85 PolarHBondContact O-NE 2.9Å |
| 82 | N | 81.6 | Confident | 75.4 | Confident | 96 Ų | 96 | 66.7 Ų | 66.7 | 51% | 0.513 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -73 | -38.1 | 176.7 | -163.9 | 64.6 | 0 | 0 | 0 | 112.3 | G78 V79 Q80 R85 A86 | G78-N82 VanDerWaalsContact O-CB 3.29Å; G78-N82 WeakPolarHBondContact O-CB 3.48Å; G78-N82 PolarHBondContact O-N 2.98Å; V79-N82 PolarHBondContact O-N 3.36Å; Q80-N82 PolarHBondContact O-N 2.68Å; N82-R85 PolarHBondContact O-N 3.19Å; N82-A86 WeakPolarHBondContact O-CB 3.35Å; N82-A86 PolarHBondContact O-N 3Å |
| 83 | T | 78.4 | Confident | 75.5 | Confident | 35 Ų | 35 | 70.6 Ų | 70.6 | 22% | 0.215 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -68 | -41.1 | 178 | -52.3 | 0 | 0 | 0 | 0 | 110.9 | V79 Q80 A86 L87 A98 A101 | V79-T83 VanDerWaalsContact O-CB 3.27Å; V79-T83 WeakPolarHBondContact O-CB 3.31Å; V79-T83 PolarHBondContact O-N 3.09Å; V79-T83 PolarHBondContact O-OG1 3.22Å; Q80-T83 PolarHBondContact O-N 3.47Å; T83-A86 PolarHBondContact O-N 3.26Å; T83-L87 HydrophobicContact CG2-CD1 3.75Å; T83-L87 WeakPolarHBondContact O-CB 3.45Å; T83-L87 WeakPolarHBondContact O-CD1 3.41Å; T83-L87 WeakPolarHBondContact O-CG 3.45Å; T83-L87 PolarHBondContact O-N 3.02Å; T83-A98 HydrophobicContact CG2-CB 3.9Å; T83-A101 HydrophobicContact CG2-CB 4.39Å |
| 84 | L | 77.9 | Confident | 75.7 | Confident | 42 Ų | 42 | 70 Ų | 70 | 22% | 0.22 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.2 | -40.8 | 175.8 | -152.3 | 72.8 | 0 | 0 | 0 | 111.7 | Q80 A86 L87 G88 D90 Q95 A98 | Q80-L84 VanDerWaalsContact O-CB 3.32Å; Q80-L84 WeakPolarHBondContact O-CB 3.43Å; Q80-L84 PolarHBondContact O-N 3.44Å; L84-A86 VanDerWaalsContact C-N 3.33Å; L84-A86 PolarHBondContact O-N 3.5Å; L84-L87 PolarHBondContact O-N 3.37Å; L84-G88 PolarHBondContact O-N 3.05Å; L84-D90 WeakPolarHBondContact CD2-OD1 3.49Å; L84-Q95 HydrophobicContact CD1-CG 3.97Å; L84-A98 HydrophobicContact CB-CB 4.46Å; L84-A98 HydrophobicContact CD1-CB 4.09Å |
| 85 | R | 79.6 | Confident | 75.7 | Confident | 184 Ų | 184 | 70.2 Ų | 70.2 | 69% | 0.694 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -61.7 | -37.4 | 172.4 | -87.3 | -175.6 | -97.1 | 131.9 | -8.3 | 113.1 | G81 N82 | G81-R85 WeakPolarHBondContact O-CB 3.45Å; G81-R85 WeakPolarHBondContact O-CG 3.44Å; G81-R85 PolarHBondContact O-N 2.95Å; G81-R85 VanDerWaalsContact O-N 3.1Å; G81-R85 PolarHBondContact O-NE 2.9Å; N82-R85 PolarHBondContact O-N 3.19Å |
| 86 | A | 80.9 | Confident | 75.5 | Confident | 86 Ų | 86 | 75.4 Ų | 75.4 | 71% | 0.711 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -72.3 | -29.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | N82 T83 L84 | N82-A86 WeakPolarHBondContact O-CB 3.35Å; N82-A86 PolarHBondContact O-N 3Å; T83-A86 PolarHBondContact O-N 3.26Å; L84-A86 VanDerWaalsContact C-N 3.33Å; L84-A86 PolarHBondContact O-N 3.5Å |
| 87 | L | 79.8 | Confident | 75.4 | Confident | 60 Ų | 60 | 78 Ų | 78 | 31% | 0.314 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -81.8 | -14.3 | 179.8 | -77 | 155.7 | 0 | 0 | 0 | 113.4 | T83 L84 H89 N94 L97 | T83-L87 HydrophobicContact CG2-CD1 3.75Å; T83-L87 WeakPolarHBondContact O-CB 3.45Å; T83-L87 WeakPolarHBondContact O-CD1 3.41Å; T83-L87 WeakPolarHBondContact O-CG 3.45Å; T83-L87 PolarHBondContact O-N 3.02Å; L84-L87 PolarHBondContact O-N 3.37Å; L87-H89 PolarHBondContact O-N 3.22Å; L87-N94 HydrophobicContact CB-CB 4.18Å; L87-N94 HydrophobicContact CD1-CB 4.11Å; L87-L97 HydrophobicContact CD1-CB 4.42Å |
| 88 | G | 66.3 | Low | 75.3 | Confident | 62 Ų | 62 | 72.5 Ų | 72.5 | 64% | 0.639 | 41% | 0.409 | S | S | * | . | trans | 67.5 | -13.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | L84 | L84-G88 PolarHBondContact O-N 3.05Š| ||
| 89 | H | 73.6 | Confident | 75 | Confident | 144 Ų | 144 | 72 Ų | 72 | 67% | 0.667 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -133.2 | 129.7 | -179.3 | -77.6 | -108.2 | 0 | 0 | 0 | 111.3 | L87 S91 N94 | L87-H89 PolarHBondContact O-N 3.22Å; H89-S91 VanDerWaalsContact C-N 3.27Å; H89-S91 PolarHBondContact O-N 3.17Å; H89-N94 WeakPolarHBondContact O-CB 3.24Å; H89-N94 PolarHBondContact O-ND2 3.46Å |
| 90 | D | 67.6 | Low | 74.8 | Confident | 129 Ų | 129 | 73 Ų | 73 | 69% | 0.69 | 42% | 0.415 | S | S | * | . | trans | -75.5 | 79.9 | 169.8 | -78.8 | -30.8 | 0 | 0 | 0 | 110.2 | L84 | L84-D90 WeakPolarHBondContact CD2-OD1 3.49Š| ||
| 91 | S | 76.4 | Confident | 74.7 | Confident | 42 Ų | 42 | 72 Ų | 72 | 29% | 0.294 | 42% | 0.416 | S | S | . | . | trans | -104.3 | 147.3 | 170.2 | 168.1 | 0 | 0 | 0 | 0 | 110 | H89 L93 N94 Q95 | H89-S91 VanDerWaalsContact C-N 3.27Å; H89-S91 PolarHBondContact O-N 3.17Å; S91-L93 PolarHBondContact O-N 2.97Å; S91-L93 VanDerWaalsContact O-N 3.11Å; S91-L93 PolarHBondContact OG-N 3.5Å; S91-N94 PolarHBondContact O-N 3.35Å; S91-Q95 PolarHBondContact O-N 2.93Å | ||
| 92 | P | 71.2 | Confident | 74.5 | Confident | 75 Ų | 75 | 71 Ų | 71 | 49% | 0.487 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -50.9 | -36.1 | 172.8 | -25.1 | 33.2 | 0 | 0 | 0 | 112.5 | F96 A301 | P92-F96 WeakPolarHBondContact O-CB 3.34Å; P92-F96 PolarHBondContact O-N 3.29Å; P92-A301 HydrophobicContact CB-CB 3.58Å; P92-A301 HydrophobicContact CG-CB 3.42Å; P92-A301 VanDerWaalsContact CG-CB 3.42Å |
| 93 | L | 74.2 | Confident | 74 | Confident | 107 Ų | 107 | 67.5 Ų | 67.5 | 56% | 0.56 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -72.5 | -39.1 | 179.5 | -161.7 | 155.2 | 0 | 0 | 0 | 111.2 | S91 F96 L97 | S91-L93 PolarHBondContact O-N 2.97Å; S91-L93 VanDerWaalsContact O-N 3.11Å; S91-L93 PolarHBondContact OG-N 3.5Å; L93-F96 WeakPolarHBondContact O-CB 3.38Å; L93-F96 PolarHBondContact O-N 3.15Å; L93-L97 HydrophobicContact CD2-CD1 3.47Å; L93-L97 VanDerWaalsContact CD2-CD1 3.47Å; L93-L97 HydrophobicContact CD2-CG 3.89Å; L93-L97 WeakPolarHBondContact O-CB 3.28Å; L93-L97 WeakPolarHBondContact O-CG 3.32Å; L93-L97 PolarHBondContact O-N 2.94Å |
| 94 | N | 75.1 | Confident | 73.8 | Confident | 26 Ų | 26 | 68.5 Ų | 68.5 | 14% | 0.139 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -69.9 | -35.8 | 177.1 | -69.6 | -8.1 | 0 | 0 | 0 | 111.8 | L87 H89 S91 L97 A98 | L87-N94 HydrophobicContact CB-CB 4.18Å; L87-N94 HydrophobicContact CD1-CB 4.11Å; H89-N94 WeakPolarHBondContact O-CB 3.24Å; H89-N94 PolarHBondContact O-ND2 3.46Å; S91-N94 PolarHBondContact O-N 3.35Å; N94-L97 PolarHBondContact O-N 3.37Å; N94-A98 WeakPolarHBondContact O-CB 3.36Å; N94-A98 PolarHBondContact O-N 3.29Å |
| 95 | Q | 71.5 | Confident | 73.8 | Confident | 57 Ų | 57 | 70.2 Ų | 70.2 | 27% | 0.266 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.2 | -41.1 | 171.1 | -71.9 | 172.9 | -30.2 | 0 | 0 | 111.6 | L84 S91 G99 | L84-Q95 HydrophobicContact CD1-CG 3.97Å; S91-Q95 PolarHBondContact O-N 2.93Å; Q95-G99 PolarHBondContact O-N 3.47Å |
| 96 | F | 72.3 | Confident | 73.8 | Confident | 149 Ų | 149 | 64.5 Ų | 64.5 | 65% | 0.654 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62.8 | -46.4 | 173.3 | 178.8 | -94.4 | 0 | 0 | 0 | 111.9 | P92 L93 G99 A100 | P92-F96 WeakPolarHBondContact O-CB 3.34Å; P92-F96 PolarHBondContact O-N 3.29Å; L93-F96 WeakPolarHBondContact O-CB 3.38Å; L93-F96 PolarHBondContact O-N 3.15Å; F96-G99 PolarHBondContact O-N 2.86Å; F96-A100 VanDerWaalsContact O-CB 3.26Å; F96-A100 WeakPolarHBondContact O-CB 3.44Å; F96-A100 PolarHBondContact O-N 3.49Å |
| 97 | L | 74.1 | Confident | 73.4 | Confident | 79 Ų | 79 | 61.7 Ų | 61.7 | 41% | 0.414 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 178.1 | -72.6 | 176.3 | 0 | 0 | 0 | 112.1 | L87 L93 N94 G99 A100 A101 | L87-L97 HydrophobicContact CD1-CB 4.42Å; L93-L97 HydrophobicContact CD2-CD1 3.47Å; L93-L97 VanDerWaalsContact CD2-CD1 3.47Å; L93-L97 HydrophobicContact CD2-CG 3.89Å; L93-L97 WeakPolarHBondContact O-CB 3.28Å; L93-L97 WeakPolarHBondContact O-CG 3.32Å; L93-L97 PolarHBondContact O-N 2.94Å; N94-L97 PolarHBondContact O-N 3.37Å; L97-G99 VanDerWaalsContact C-N 3.35Å; L97-A100 PolarHBondContact O-N 2.85Å; L97-A101 WeakPolarHBondContact O-CB 3.16Å; L97-A101 PolarHBondContact O-N 3.26Å |
| 98 | A | 72.7 | Confident | 73.2 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q80 T83 L84 N94 A102 | Q80-A98 HydrophobicContact CG-CB 4.21Å; T83-A98 HydrophobicContact CG2-CB 3.9Å; L84-A98 HydrophobicContact CB-CB 4.46Å; L84-A98 HydrophobicContact CD1-CB 4.09Å; N94-A98 WeakPolarHBondContact O-CB 3.36Å; N94-A98 PolarHBondContact O-N 3.29Å; A98-A102 WeakPolarHBondContact O-CB 3.16Å; A98-A102 PolarHBondContact O-N 3.41Å |
| 99 | G | 71.4 | Confident | 73.6 | Confident | 31 Ų | 31 | 62.3 Ų | 62.3 | 32% | 0.32 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.2 | -41.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q95 F96 L97 A102 G103 | Q95-G99 PolarHBondContact O-N 3.47Å; F96-G99 PolarHBondContact O-N 2.86Å; L97-G99 VanDerWaalsContact C-N 3.35Å; G99-A102 PolarHBondContact O-N 3.01Å; G99-G103 PolarHBondContact O-N 2.94Å |
| 100 | A | 72.3 | Confident | 73.6 | Confident | 49 Ų | 49 | 56.3 Ų | 56.3 | 41% | 0.405 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.4 | -41.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F96 L97 G103 A104 | F96-A100 VanDerWaalsContact O-CB 3.26Å; F96-A100 WeakPolarHBondContact O-CB 3.44Å; F96-A100 PolarHBondContact O-N 3.49Å; L97-A100 PolarHBondContact O-N 2.85Å; A100-G103 PolarHBondContact O-N 3.46Å; A100-A104 WeakPolarHBondContact O-CB 3.43Å; A100-A104 PolarHBondContact O-N 3.12Å |
| 101 | A | 75.5 | Confident | 73.9 | Confident | 36 Ų | 36 | 50.5 Ų | 50.5 | 30% | 0.298 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.3 | -46 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V79 T83 L97 G103 A104 I105 | V79-A101 HydrophobicContact CG1-CB 4.44Å; T83-A101 HydrophobicContact CG2-CB 4.39Å; L97-A101 WeakPolarHBondContact O-CB 3.16Å; L97-A101 PolarHBondContact O-N 3.26Å; A101-G103 PolarHBondContact O-N 3.49Å; A101-A104 PolarHBondContact O-N 3.35Å; A101-I105 WeakPolarHBondContact O-CG1 3.44Å; A101-I105 PolarHBondContact O-N 3.42Å; A101-I105 VanDerWaalsContact O-N 3.1Å |
| 102 | A | 72.4 | Confident | 73.8 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 2% | 0.017 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.2 | -44.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | V76 V79 Q80 A98 G99 A104 I105 Q106 | V76-A102 HydrophobicContact CG1-CB 4.23Å; V79-A102 HydrophobicContact CB-CB 4.11Å; V79-A102 HydrophobicContact CG1-CB 3.98Å; Q80-A102 HydrophobicContact CB-CB 4.1Å; A98-A102 WeakPolarHBondContact O-CB 3.16Å; A98-A102 PolarHBondContact O-N 3.41Å; G99-A102 PolarHBondContact O-N 3.01Å; A102-A104 PolarHBondContact O-N 3.21Å; A102-I105 PolarHBondContact O-N 3.17Å; A102-Q106 WeakPolarHBondContact O-CB 3.18Å; A102-Q106 PolarHBondContact O-N 3.48Å |
| 103 | G | 70.7 | Confident | 73.9 | Confident | 23 Ų | 23 | 47.8 Ų | 47.8 | 24% | 0.237 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.3 | -37.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | G99 A100 A101 C107 | G99-G103 PolarHBondContact O-N 2.94Å; A100-G103 PolarHBondContact O-N 3.46Å; A101-G103 PolarHBondContact O-N 3.49Å; G103-C107 WeakPolarHBondContact O-CB 3.24Å; G103-C107 PolarHBondContact O-N 3.08Å; G103-C107 PolarHBondContact O-SG 3.2Å |
| 104 | A | 75 | Confident | 73.8 | Confident | 56 Ų | 56 | 46 Ų | 46 | 46% | 0.463 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.8 | -47.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A100 A101 A102 Q106 C107 V108 | A100-A104 WeakPolarHBondContact O-CB 3.43Å; A100-A104 PolarHBondContact O-N 3.12Å; A101-A104 PolarHBondContact O-N 3.35Å; A102-A104 PolarHBondContact O-N 3.21Å; A104-Q106 VanDerWaalsContact C-N 3.34Å; A104-C107 WeakPolarHBondContact O-CB 3.29Å; A104-C107 PolarHBondContact O-N 3.37Å; A104-V108 PolarHBondContact O-N 2.86Å |
| 105 | I | 77.9 | Confident | 73.9 | Confident | 78 Ų | 78 | 44.8 Ų | 44.8 | 40% | 0.4 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.8 | -40.3 | 177.6 | -58.3 | -176.9 | 0 | 0 | 0 | 110.3 | L75 V79 A101 A102 C107 V108 | L75-I105 HydrophobicContact CD2-CB 4.33Å; L75-I105 HydrophobicContact CD2-CG2 3.72Å; V79-I105 HydrophobicContact CB-CD1 4.45Å; V79-I105 HydrophobicContact CG1-CD1 3.79Å; V79-I105 HydrophobicContact CG2-CB 4.46Å; V79-I105 HydrophobicContact CG2-CD1 3.74Å; V79-I105 HydrophobicContact CG2-CG2 4.46Å; A101-I105 WeakPolarHBondContact O-CG1 3.44Å; A101-I105 PolarHBondContact O-N 3.42Å; A101-I105 VanDerWaalsContact O-N 3.1Å; A102-I105 PolarHBondContact O-N 3.17Å; I105-C107 VanDerWaalsContact C-N 3.31Å; I105-C107 PolarHBondContact O-N 2.95Å; I105-V108 PolarHBondContact O-N 3.39Å |
| 106 | Q | 79.1 | Confident | 74.1 | Confident | 63 Ų | 63 | 42.1 Ų | 42.1 | 29% | 0.294 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -57.1 | -43.9 | 172.8 | 178 | -179.1 | 14.7 | 0 | 0 | 111.6 | I72 V76 A102 A104 V108 I109 C110 | I72-Q106 HydrophobicContact CG2-CG 3.88Å; I72-Q106 VanDerWaalsContact CG2-NE2 3.26Å; V76-Q106 HydrophobicContact CG2-CB 3.85Å; V76-Q106 HydrophobicContact CG2-CG 3.95Å; A102-Q106 WeakPolarHBondContact O-CB 3.18Å; A102-Q106 PolarHBondContact O-N 3.48Å; A104-Q106 VanDerWaalsContact C-N 3.34Å; Q106-V108 VanDerWaalsContact C-N 3.28Å; Q106-V108 PolarHBondContact O-N 2.91Å; Q106-I109 PolarHBondContact O-N 2.72Å; Q106-I109 VanDerWaalsContact O-N 3.09Å; Q106-C110 HydrophobicContact CG-CB 4.47Å; Q106-C110 WeakPolarHBondContact CG-SG 3.36Å; Q106-C110 WeakPolarHBondContact O-CB 3.12Å; Q106-C110 PolarHBondContact O-N 3.41Å; Q106-C110 PolarHBondContact O-SG 3.48Å |
| 107 | C | 72.3 | Confident | 74.1 | Confident | 27 Ų | 27 | 36.5 Ų | 36.5 | 18% | 0.182 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.6 | -36.8 | -180 | -79.8 | 0 | 0 | 0 | 0 | 112.9 | G103 A104 I105 I109 C111 | G103-C107 WeakPolarHBondContact O-CB 3.24Å; G103-C107 PolarHBondContact O-N 3.08Å; G103-C107 PolarHBondContact O-SG 3.2Å; A104-C107 WeakPolarHBondContact O-CB 3.29Å; A104-C107 PolarHBondContact O-N 3.37Å; I105-C107 VanDerWaalsContact C-N 3.31Å; I105-C107 PolarHBondContact O-N 2.95Å; C107-I109 PolarHBondContact O-N 2.93Å; C107-C111 WeakPolarHBondContact O-CB 3.38Å; C107-C111 PolarHBondContact O-N 2.9Å; C107-C111 PolarHBondContact O-SG 2.88Å |
| 108 | V | 75.8 | Confident | 74 | Confident | 89 Ų | 89 | 33.6 Ų | 33.6 | 54% | 0.539 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.5 | -29.6 | 178.3 | 176.6 | 0 | 0 | 0 | 0 | 111.9 | A104 I105 Q106 P112 | A104-V108 PolarHBondContact O-N 2.86Å; I105-V108 PolarHBondContact O-N 3.39Å; Q106-V108 VanDerWaalsContact C-N 3.28Å; Q106-V108 PolarHBondContact O-N 2.91Å; V108-P112 WeakPolarHBondContact O-CD 3.11Å; V108-P112 VanDerWaalsContact O-CG 3.24Å; V108-P112 WeakPolarHBondContact O-CG 3.4Å |
| 109 | I | 74.9 | Confident | 74 | Confident | 46 Ų | 46 | 33.7 Ų | 33.7 | 24% | 0.236 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -97.9 | -41.7 | -178.4 | -57.9 | 173.4 | 0 | 0 | 0 | 111.2 | F71 L75 Q106 C107 P112 M113 | F71-I109 HydrophobicContact CE1-CD1 4.12Å; F71-I109 HydrophobicContact CE1-CG2 4.38Å; L75-I109 HydrophobicContact CD1-CD1 3.41Å; L75-I109 VanDerWaalsContact CD1-CD1 3.41Å; L75-I109 HydrophobicContact CD2-CD1 4.16Å; L75-I109 HydrophobicContact CG-CD1 4.41Å; Q106-I109 PolarHBondContact O-N 2.72Å; Q106-I109 VanDerWaalsContact O-N 3.09Å; C107-I109 PolarHBondContact O-N 2.93Å; I109-P112 WeakPolarHBondContact O-CD 3.33Å; I109-P112 VanDerWaalsContact O-CG 3.28Å; I109-P112 WeakPolarHBondContact O-CG 3.49Å; I109-M113 HydrophobicContact CG2-CE 4.09Å; I109-M113 WeakPolarHBondContact O-CG 3.19Å; I109-M113 PolarHBondContact O-N 3.34Å |
| 110 | C | 73.2 | Confident | 74.1 | Confident | 19 Ų | 19 | 33.3 Ų | 33.3 | 13% | 0.128 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.1 | -42.4 | 179.9 | -75.7 | 0 | 0 | 0 | 0 | 112.1 | I72 Q106 M113 E114 | I72-C110 WeakPolarHBondContact CD1-SG 3.24Å; Q106-C110 HydrophobicContact CG-CB 4.47Å; Q106-C110 WeakPolarHBondContact CG-SG 3.36Å; Q106-C110 WeakPolarHBondContact O-CB 3.12Å; Q106-C110 PolarHBondContact O-N 3.41Å; Q106-C110 PolarHBondContact O-SG 3.48Å; C110-M113 PolarHBondContact O-N 3.46Å; C110-E114 WeakPolarHBondContact O-CB 3.29Å; C110-E114 WeakPolarHBondContact O-CG 3.46Å; C110-E114 PolarHBondContact O-N 3.4Å |
| 111 | C | 74.2 | Confident | 73.7 | Confident | 6 Ų | 6 | 32.2 Ų | 32.2 | 4% | 0.041 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.1 | -50.1 | -177.7 | -73.3 | 0 | 0 | 0 | 0 | 113.4 | C107 M113 E114 L115 M154 | C107-C111 WeakPolarHBondContact O-CB 3.38Å; C107-C111 PolarHBondContact O-N 2.9Å; C107-C111 PolarHBondContact O-SG 2.88Å; C111-M113 VanDerWaalsContact C-N 3.33Å; C111-M113 PolarHBondContact O-N 3.23Å; C111-E114 PolarHBondContact O-N 3.38Å; C111-L115 WeakPolarHBondContact O-CB 3.42Å; C111-L115 PolarHBondContact O-N 3.34Å; C111-M154 HydrophobicContact CB-SD 4.34Å |
| 112 | P | 73.8 | Confident | 73.4 | Confident | 16 Ų | 16 | 31 Ų | 31 | 10% | 0.104 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.6 | -38.3 | 175.9 | 19.4 | -29.1 | 0 | 0 | 0 | 112.5 | V108 I109 L115 A116 L138 V150 | V108-P112 WeakPolarHBondContact O-CD 3.11Å; V108-P112 VanDerWaalsContact O-CG 3.24Å; V108-P112 WeakPolarHBondContact O-CG 3.4Å; I109-P112 WeakPolarHBondContact O-CD 3.33Å; I109-P112 VanDerWaalsContact O-CG 3.28Å; I109-P112 WeakPolarHBondContact O-CG 3.49Å; P112-L115 PolarHBondContact O-N 3.47Å; P112-A116 WeakPolarHBondContact O-CB 3.11Å; P112-A116 PolarHBondContact O-N 2.85Å; P112-L138 HydrophobicContact CB-CD1 4.32Å; P112-L138 HydrophobicContact CB-CD2 3.69Å; P112-L138 WeakPolarHBondContact O-CD2 3.18Å; P112-V150 HydrophobicContact CB-CG1 3.66Å; P112-V150 HydrophobicContact CG-CG1 4.42Å |
| 113 | M | 74.2 | Confident | 73.1 | Confident | 45 Ų | 45 | 32.1 Ų | 32.1 | 22% | 0.222 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66 | -42.1 | 177.4 | -69.8 | -160.5 | -58.2 | 0 | 0 | 112.6 | I72 I109 C110 C111 L115 A116 K117 | I72-M113 HydrophobicContact CD1-CE 3.31Å; I72-M113 HydrophobicContact CG1-CE 3.89Å; I109-M113 HydrophobicContact CG2-CE 4.09Å; I109-M113 WeakPolarHBondContact O-CG 3.19Å; I109-M113 PolarHBondContact O-N 3.34Å; C110-M113 PolarHBondContact O-N 3.46Å; C111-M113 VanDerWaalsContact C-N 3.33Å; C111-M113 PolarHBondContact O-N 3.23Å; M113-L115 VanDerWaalsContact C-N 3.34Å; M113-A116 PolarHBondContact O-N 3.1Å; M113-K117 WeakPolarHBondContact O-CB 3.42Å; M113-K117 PolarHBondContact O-N 2.92Å |
| 114 | E | 71.9 | Confident | 72.5 | Confident | 70 Ų | 70 | 36.2 Ų | 36.2 | 33% | 0.327 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.1 | -42.4 | 173.8 | -75.1 | -173.3 | 175.1 | 0 | 0 | 111.5 | C110 C111 K117 T118 K214 | C110-E114 WeakPolarHBondContact O-CB 3.29Å; C110-E114 WeakPolarHBondContact O-CG 3.46Å; C110-E114 PolarHBondContact O-N 3.4Å; C111-E114 PolarHBondContact O-N 3.38Å; E114-K117 PolarHBondContact O-N 2.87Å; E114-T118 WeakPolarHBondContact O-CB 3.3Å; E114-T118 PolarHBondContact O-N 2.93Å; E114-T118 PolarHBondContact O-OG1 3.44Å; E114-K214 IonicContact OE2-NZ 2.78Å; E114-K214 PolarHBondContact OE2-NZ 3.35Å |
| 115 | L | 76.1 | Confident | 71.6 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.5 | -52.2 | 175 | 179.9 | 67 | 0 | 0 | 0 | 110.4 | C111 P112 M113 K117 T118 R119 I141 G149 Q218 | C111-L115 WeakPolarHBondContact O-CB 3.42Å; C111-L115 PolarHBondContact O-N 3.34Å; P112-L115 PolarHBondContact O-N 3.47Å; M113-L115 VanDerWaalsContact C-N 3.34Å; L115-K117 VanDerWaalsContact C-N 3.33Å; L115-K117 PolarHBondContact O-N 3.49Å; L115-T118 PolarHBondContact O-N 2.95Å; L115-R119 HydrophobicContact CD1-CG 4.31Å; L115-R119 HydrophobicContact CG-CG 4.38Å; L115-R119 WeakPolarHBondContact O-CB 3.42Å; L115-R119 WeakPolarHBondContact O-CG 3.25Å; L115-R119 PolarHBondContact O-N 3.3Å; L115-I141 HydrophobicContact CD2-CD1 4.09Å; L115-I141 HydrophobicContact CD2-CG2 4.49Å; L115-I141 HydrophobicContact CG-CD1 4.35Å; L115-G149 VanDerWaalsContact CD2-O 3.29Å; L115-G149 WeakPolarHBondContact CD2-O 3.23Å; L115-Q218 HydrophobicContact CD1-CB 3.94Å; L115-Q218 HydrophobicContact CD1-CG 4.05Å |
| 116 | A | 75.6 | Confident | 70.5 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.9 | -42.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P112 M113 R119 L120 L138 | P112-A116 WeakPolarHBondContact O-CB 3.11Å; P112-A116 PolarHBondContact O-N 2.85Å; M113-A116 PolarHBondContact O-N 3.1Å; A116-R119 PolarHBondContact O-N 3.4Å; A116-L120 WeakPolarHBondContact O-CB 3.24Å; A116-L120 VanDerWaalsContact O-CG 3.32Å; A116-L120 WeakPolarHBondContact O-CG 3.3Å; A116-L120 PolarHBondContact O-N 3.06Å; A116-L138 HydrophobicContact CB-CD1 4.32Å; A116-L138 HydrophobicContact CB-CD2 4.18Å; A116-L138 HydrophobicContact CB-CG 3.92Å |
| 117 | K | 73.6 | Confident | 69 | Low | 31 Ų | 31 | 38.4 Ų | 38.4 | 14% | 0.135 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.9 | -50 | 175.6 | -173.3 | -170.2 | -176.6 | -175 | 0 | 110.9 | H20 D23 P65 M113 E114 L115 R119 L120 Q121 | H20-K117 PolarHBondContact ND1-NZ 2.85Å; D23-K117 IonicContact OD2-NZ 2.76Å; P65-K117 HydrophobicContact CG-CD 3.65Å; M113-K117 WeakPolarHBondContact O-CB 3.42Å; M113-K117 PolarHBondContact O-N 2.92Å; E114-K117 PolarHBondContact O-N 2.87Å; L115-K117 VanDerWaalsContact C-N 3.33Å; L115-K117 PolarHBondContact O-N 3.49Å; K117-R119 PolarHBondContact O-N 3.35Å; K117-L120 PolarHBondContact O-N 3.24Å; K117-Q121 HydrophobicContact CG-CG 4.48Å; K117-Q121 WeakPolarHBondContact O-CB 3.41Å; K117-Q121 VanDerWaalsContact O-CG 3.3Å; K117-Q121 WeakPolarHBondContact O-CG 3.25Å; K117-Q121 PolarHBondContact O-N 3.01Å |
| 118 | T | 70.6 | Confident | 68.3 | Low | 18 Ų | 18 | 41.3 Ų | 41.3 | 11% | 0.11 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59 | -48.3 | 178.9 | -61.8 | 0 | 0 | 0 | 0 | 110.3 | E114 L115 L120 Q121 L122 Q218 | E114-T118 WeakPolarHBondContact O-CB 3.3Å; E114-T118 PolarHBondContact O-N 2.93Å; E114-T118 PolarHBondContact O-OG1 3.44Å; L115-T118 PolarHBondContact O-N 2.95Å; T118-L120 PolarHBondContact O-N 3.09Å; T118-Q121 PolarHBondContact O-N 2.92Å; T118-L122 HydrophobicContact CG2-CD1 3.69Å; T118-L122 HydrophobicContact CG2-CG 4.41Å; T118-L122 WeakPolarHBondContact O-CB 3.33Å; T118-L122 WeakPolarHBondContact O-CG 3.4Å; T118-L122 PolarHBondContact O-N 2.91Å; T118-Q218 HydrophobicContact CG2-CB 4.26Å |
| 119 | R | 74.1 | Confident | 67.6 | Low | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.5 | -45.8 | 178.2 | -64.1 | -80.1 | -171.1 | -172.2 | -2.4 | 112.7 | L115 A116 K117 L122 Q123 C137 I141 Q218 A219 D220 L222 | L115-R119 HydrophobicContact CD1-CG 4.31Å; L115-R119 HydrophobicContact CG-CG 4.38Å; L115-R119 WeakPolarHBondContact O-CB 3.42Å; L115-R119 WeakPolarHBondContact O-CG 3.25Å; L115-R119 PolarHBondContact O-N 3.3Å; A116-R119 PolarHBondContact O-N 3.4Å; K117-R119 PolarHBondContact O-N 3.35Å; R119-L122 PolarHBondContact O-N 2.95Å; R119-Q123 PolarHBondContact O-N 3.48Å; R119-Q123 VanDerWaalsContact O-N 3.09Å; R119-C137 VanDerWaalsContact CB-SG 3.57Å; R119-I141 HydrophobicContact CG-CD1 4.25Å; R119-Q218 PolarHBondContact NE-O 3.13Å; R119-Q218 VanDerWaalsContact NE-O 3.09Å; R119-Q218 PolarHBondContact NH2-O 3.33Å; R119-A219 PolarHBondContact NH1-O 3.42Å; R119-D220 PolarHBondContact NH1-O 3.16Å; R119-D220 PolarHBondContact NH2-O 3.42Å; R119-L222 HydrophobicContact CB-CD1 3.91Å; R119-L222 HydrophobicContact CG-CD1 4.13Å |
| 120 | L | 73.1 | Confident | 67.2 | Low | 24 Ų | 24 | 46.3 Ų | 46.3 | 13% | 0.126 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.2 | -36.9 | 177.9 | -76.4 | 170.1 | 0 | 0 | 0 | 113.4 | A116 K117 T118 L122 S134 | A116-L120 WeakPolarHBondContact O-CB 3.24Å; A116-L120 VanDerWaalsContact O-CG 3.32Å; A116-L120 WeakPolarHBondContact O-CG 3.3Å; A116-L120 PolarHBondContact O-N 3.06Å; K117-L120 PolarHBondContact O-N 3.24Å; T118-L120 PolarHBondContact O-N 3.09Å; L120-L122 PolarHBondContact O-N 3.25Å; L120-S134 WeakPolarHBondContact CD1-OG 3.37Å |
| 121 | Q | 63.8 | Low | 67.1 | Low | 26 Ų | 26 | 46.6 Ų | 46.6 | 12% | 0.121 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -70 | -24.4 | 176.7 | -75.2 | -176.5 | -26.3 | 0 | 0 | 112.3 | V27 K117 T118 | V27-Q121 HydrophobicContact CG1-CB 4.14Å; K117-Q121 HydrophobicContact CG-CG 4.48Å; K117-Q121 WeakPolarHBondContact O-CB 3.41Å; K117-Q121 VanDerWaalsContact O-CG 3.3Å; K117-Q121 WeakPolarHBondContact O-CG 3.25Å; K117-Q121 PolarHBondContact O-N 3.01Å; T118-Q121 PolarHBondContact O-N 2.92Å |
| 122 | L | 68.2 | Low | 66.9 | Low | 11 Ų | 11 | 55.7 Ų | 55.7 | 6% | 0.058 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -93.1 | -13.8 | -179.5 | -65.6 | 176.1 | 0 | 0 | 0 | 114.4 | V27 V31 T118 R119 L120 D124 A219 L222 | V27-L122 HydrophobicContact CG1-CD2 3.42Å; V27-L122 VanDerWaalsContact CG1-CD2 3.42Å; V27-L122 HydrophobicContact CG1-CG 3.91Å; V31-L122 HydrophobicContact CB-CD1 4.36Å; V31-L122 HydrophobicContact CB-CD2 3.31Å; V31-L122 HydrophobicContact CB-CG 4.39Å; V31-L122 HydrophobicContact CG1-CD1 4.06Å; V31-L122 HydrophobicContact CG1-CD2 3.48Å; V31-L122 VanDerWaalsContact CG1-CD2 3.48Å; V31-L122 HydrophobicContact CG1-CG 4.21Å; V31-L122 HydrophobicContact CG2-CD1 3.73Å; V31-L122 HydrophobicContact CG2-CD2 3.35Å; V31-L122 HydrophobicContact CG2-CG 4.12Å; T118-L122 HydrophobicContact CG2-CD1 3.69Å; T118-L122 HydrophobicContact CG2-CG 4.41Å; T118-L122 WeakPolarHBondContact O-CB 3.33Å; T118-L122 WeakPolarHBondContact O-CG 3.4Å; T118-L122 PolarHBondContact O-N 2.91Å; R119-L122 PolarHBondContact O-N 2.95Å; L120-L122 PolarHBondContact O-N 3.25Å; L122-D124 PolarHBondContact O-N 3.25Å; L122-A219 HydrophobicContact CD1-CB 3.55Å; L122-L222 HydrophobicContact CB-CD2 3.61Å |
| 123 | Q | 66.4 | Low | 66.8 | Low | 25 Ų | 25 | 56.1 Ų | 56.1 | 12% | 0.117 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -68.8 | 133.4 | 174.1 | 93.1 | 176.3 | -30.3 | 0 | 0 | 110.3 | R119 Y131 | R119-Q123 PolarHBondContact O-N 3.48Å; R119-Q123 VanDerWaalsContact O-N 3.09Å; Q123-Y131 PolarHBondContact NE2-O 3.33Å; Q123-Y131 VanDerWaalsContact OE1-N 3.07Å; Q123-Y131 PolarHBondContact OE1-O 3.3Å |
| 124 | D | 57.8 | Low | 66.7 | Low | 109 Ų | 109 | 55.2 Ų | 55.2 | 58% | 0.583 | 32% | 0.315 | S | S | * | . | trans | -64.4 | 145 | 178.4 | -68.9 | -47.8 | 0 | 0 | 0 | 110.7 | L122 G126 | L122-D124 PolarHBondContact O-N 3.25Å; D124-G126 PolarHBondContact O-N 3.05Å | ||
| 125 | A | 56.3 | Low | 67 | Low | 62 Ų | 62 | 58.2 Ų | 58.2 | 51% | 0.512 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -75.7 | 34.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 126 | G | 55.3 | Low | 67.2 | Low | 32 Ų | 32 | 60.5 Ų | 60.5 | 33% | 0.33 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -88.5 | 173.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | D124 A128 | D124-G126 PolarHBondContact O-N 3.05Å; G126-A128 PolarHBondContact O-N 3.04Å |
| 127 | P | 48.5 | Very low | 67.3 | Low | 149 Ų | 149 | 60.5 Ų | 60.5 | 97% | 0.968 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -66 | -21.9 | 177.5 | 23.8 | -31.1 | 0 | 0 | 0 | 113.5 | R129 | P127-R129 PolarHBondContact O-N 3.45Š|
| 128 | A | 56.5 | Low | 67.5 | Low | 88 Ų | 88 | 60.6 Ų | 60.6 | 73% | 0.727 | 35% | 0.347 | S | S | * | . | trans | -91.8 | 64.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | G126 T130 | G126-A128 PolarHBondContact O-N 3.04Å; A128-T130 PolarHBondContact O-N 3.4Å | ||
| 129 | R | 62.5 | Low | 68.1 | Low | 154 Ų | 154 | 64.7 Ų | 64.7 | 58% | 0.581 | 37% | 0.371 | S | S | * | . | trans | -69.8 | 115 | 171.6 | -67.9 | -172.8 | -175.6 | 172.7 | 3 | 109.4 | P127 Y131 | P127-R129 PolarHBondContact O-N 3.45Å; R129-Y131 VanDerWaalsContact C-N 3.3Å | ||
| 130 | T | 65.8 | Low | 68.4 | Low | 86 Ų | 86 | 67.3 Ų | 67.3 | 53% | 0.528 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -68.1 | -33.3 | 176 | -44.5 | 0 | 0 | 0 | 0 | 111.5 | A128 Q140 | A128-T130 PolarHBondContact O-N 3.4Å; T130-Q140 PolarHBondContact O-NE2 2.81Å |
| 131 | Y | 71.3 | Confident | 68.7 | Low | 25 Ų | 25 | 66.4 Ų | 66.4 | 10% | 0.098 | 38% | 0.379 | C | S | . | . | trans | -122.3 | 125.4 | -177.3 | -53.1 | -64.4 | 0 | 0 | 0 | 111.5 | Q123 R129 C137 Q140 L222 | Q123-Y131 PolarHBondContact NE2-O 3.33Å; Q123-Y131 VanDerWaalsContact OE1-N 3.07Å; Q123-Y131 PolarHBondContact OE1-O 3.3Å; R129-Y131 VanDerWaalsContact C-N 3.3Å; Y131-C137 VanDerWaalsContact CD1-CA 3.49Å; Y131-C137 HydrophobicContact CD1-CB 3.73Å; Y131-C137 HydrophobicContact CE1-CB 4.28Å; Y131-C137 HydrophobicContact CG-CB 3.9Å; Y131-Q140 HydrophobicContact CE1-CB 4.24Å; Y131-Q140 VanDerWaalsContact CE1-OE1 3.23Å; Y131-L222 HydrophobicContact CE2-CD1 3.83Å | ||
| 132 | K | 69.6 | Low | 69.7 | Low | 197 Ų | 197 | 71.8 Ų | 71.8 | 86% | 0.857 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -80 | -24.4 | 176.8 | -66.7 | 179.2 | -179.9 | 175.9 | 0 | 112.6 | D136 | K132-D136 HydrophobicContact CB-CB 4.47Å; K132-D136 PolarHBondContact N-OD2 2.88Å |
| 133 | G | 72.8 | Confident | 70.2 | Confident | 24 Ų | 24 | 74.3 Ų | 74.3 | 25% | 0.247 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -174.8 | -178.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L135 D136 C137 | G133-L135 PolarHBondContact O-N 2.88Å; G133-D136 PolarHBondContact O-N 2.69Å; G133-C137 WeakPolarHBondContact O-CB 3.49Å; G133-C137 PolarHBondContact O-N 3.41Å |
| 134 | S | 71.5 | Confident | 70.8 | Confident | 26 Ų | 26 | 81 Ų | 81 | 18% | 0.182 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -66.9 | -38.3 | -173.6 | -59 | 0 | 0 | 0 | 0 | 112.4 | S64 L120 C137 L138 | S64-S134 WeakPolarHBondContact CB-OG 3.42Å; L120-S134 WeakPolarHBondContact CD1-OG 3.37Å; S134-C137 WeakPolarHBondContact O-CB 3.25Å; S134-C137 PolarHBondContact O-N 3.37Å; S134-L138 WeakPolarHBondContact O-CG 3.26Å; S134-L138 PolarHBondContact O-N 2.87Å |
| 135 | L | 76.9 | Confident | 71.6 | Confident | 134 Ų | 134 | 79.1 Ų | 79.1 | 70% | 0.702 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -69.4 | -44.4 | 177.9 | -67.4 | 174.6 | 0 | 0 | 0 | 111.6 | G133 C137 L138 V139 | G133-L135 PolarHBondContact O-N 2.88Å; L135-C137 VanDerWaalsContact C-N 3.29Å; L135-C137 PolarHBondContact O-N 2.99Å; L135-L138 PolarHBondContact O-N 3.34Å; L135-L138 VanDerWaalsContact O-N 3.14Å; L135-V139 VanDerWaalsContact O-CG2 3.3Å; L135-V139 WeakPolarHBondContact O-CG2 3.25Å; L135-V139 PolarHBondContact O-N 2.87Å |
| 136 | D | 80.9 | Confident | 72.8 | Confident | 48 Ų | 48 | 77.3 Ų | 77.3 | 26% | 0.257 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -59.3 | -41.5 | 175 | 178.2 | 50.9 | 0 | 0 | 0 | 111.2 | K132 G133 L138 V139 Q140 | K132-D136 HydrophobicContact CB-CB 4.47Å; K132-D136 PolarHBondContact N-OD2 2.88Å; G133-D136 PolarHBondContact O-N 2.69Å; D136-L138 PolarHBondContact O-N 3.42Å; D136-V139 PolarHBondContact O-N 2.98Å; D136-Q140 VanDerWaalsContact CG-NE2 3.34Å; D136-Q140 WeakPolarHBondContact O-CB 3.37Å; D136-Q140 VanDerWaalsContact O-CG 3.29Å; D136-Q140 WeakPolarHBondContact O-CG 3.37Å; D136-Q140 PolarHBondContact O-N 3.33Å; D136-Q140 PolarHBondContact OD1-NE2 2.93Å; D136-Q140 PolarHBondContact OD2-NE2 3.27Å |
| 137 | C | 77.9 | Confident | 73.8 | Confident | 0 Ų | 0 | 81.4 Ų | 81.4 | 0% | 0 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -59.3 | -47.3 | 172.7 | -172.8 | 0 | 0 | 0 | 0 | 112.3 | R119 Y131 G133 S134 L135 Q140 I141 | R119-C137 VanDerWaalsContact CB-SG 3.57Å; Y131-C137 VanDerWaalsContact CD1-CA 3.49Å; Y131-C137 HydrophobicContact CD1-CB 3.73Å; Y131-C137 HydrophobicContact CE1-CB 4.28Å; Y131-C137 HydrophobicContact CG-CB 3.9Å; G133-C137 WeakPolarHBondContact O-CB 3.49Å; G133-C137 PolarHBondContact O-N 3.41Å; S134-C137 WeakPolarHBondContact O-CB 3.25Å; S134-C137 PolarHBondContact O-N 3.37Å; L135-C137 VanDerWaalsContact C-N 3.29Å; L135-C137 PolarHBondContact O-N 2.99Å; C137-Q140 PolarHBondContact O-N 3.46Å; C137-I141 WeakPolarHBondContact O-CB 3.47Å; C137-I141 WeakPolarHBondContact O-CD1 3.35Å; C137-I141 WeakPolarHBondContact O-CG1 3.36Å; C137-I141 PolarHBondContact O-N 3.5Å |
| 138 | L | 79.1 | Confident | 74.8 | Confident | 32 Ų | 32 | 85.2 Ų | 85.2 | 17% | 0.168 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -65.3 | -42 | 179 | -74.1 | 172.9 | 0 | 0 | 0 | 113 | P112 A116 S134 L135 D136 I141 Y142 V150 | P112-L138 HydrophobicContact CB-CD1 4.32Å; P112-L138 HydrophobicContact CB-CD2 3.69Å; P112-L138 WeakPolarHBondContact O-CD2 3.18Å; A116-L138 HydrophobicContact CB-CD1 4.32Å; A116-L138 HydrophobicContact CB-CD2 4.18Å; A116-L138 HydrophobicContact CB-CG 3.92Å; S134-L138 WeakPolarHBondContact O-CG 3.26Å; S134-L138 PolarHBondContact O-N 2.87Å; L135-L138 PolarHBondContact O-N 3.34Å; L135-L138 VanDerWaalsContact O-N 3.14Å; D136-L138 PolarHBondContact O-N 3.42Å; L138-I141 PolarHBondContact O-N 3Å; L138-Y142 VanDerWaalsContact O-CB 3.32Å; L138-Y142 WeakPolarHBondContact O-CB 3.37Å; L138-Y142 PolarHBondContact O-N 2.96Å; L138-V150 HydrophobicContact CD2-CG1 4.4Å |
| 139 | V | 82.7 | Confident | 75.6 | Confident | 104 Ų | 104 | 81.1 Ų | 81.1 | 63% | 0.63 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -63.5 | -44.5 | 178.3 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | L135 D136 Y142 G143 | L135-V139 VanDerWaalsContact O-CG2 3.3Å; L135-V139 WeakPolarHBondContact O-CG2 3.25Å; L135-V139 PolarHBondContact O-N 2.87Å; D136-V139 PolarHBondContact O-N 2.98Å; V139-Y142 PolarHBondContact O-N 3.25Å; V139-G143 PolarHBondContact O-N 3.48Å |
| 140 | Q | 80.6 | Confident | 76.1 | Confident | 57 Ų | 57 | 74.7 Ų | 74.7 | 27% | 0.266 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 176.4 | -70.9 | 179.7 | 28.4 | 0 | 0 | 111.9 | T130 Y131 D136 C137 Y142 G143 H144 | T130-Q140 PolarHBondContact O-NE2 2.81Å; Y131-Q140 HydrophobicContact CE1-CB 4.24Å; Y131-Q140 VanDerWaalsContact CE1-OE1 3.23Å; D136-Q140 VanDerWaalsContact CG-NE2 3.34Å; D136-Q140 WeakPolarHBondContact O-CB 3.37Å; D136-Q140 VanDerWaalsContact O-CG 3.29Å; D136-Q140 WeakPolarHBondContact O-CG 3.37Å; D136-Q140 PolarHBondContact O-N 3.33Å; D136-Q140 PolarHBondContact OD1-NE2 2.93Å; D136-Q140 PolarHBondContact OD2-NE2 3.27Å; C137-Q140 PolarHBondContact O-N 3.46Å; Q140-Y142 VanDerWaalsContact C-N 3.31Å; Q140-Y142 PolarHBondContact O-N 3.02Å; Q140-G143 PolarHBondContact O-N 3.29Å; Q140-H144 PolarHBondContact O-CD2 2.91Å; Q140-H144 PolarHBondContact O-N 3.39Å |
| 141 | I | 79.7 | Confident | 76.4 | Confident | 6 Ų | 6 | 73.3 Ų | 73.3 | 3% | 0.031 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61 | -43 | 176.4 | -70.2 | 166.1 | 0 | 0 | 0 | 110.6 | L115 R119 C137 L138 G143 H144 E145 G146 V150 | L115-I141 HydrophobicContact CD2-CD1 4.09Å; L115-I141 HydrophobicContact CD2-CG2 4.49Å; L115-I141 HydrophobicContact CG-CD1 4.35Å; R119-I141 HydrophobicContact CG-CD1 4.25Å; C137-I141 WeakPolarHBondContact O-CB 3.47Å; C137-I141 WeakPolarHBondContact O-CD1 3.35Å; C137-I141 WeakPolarHBondContact O-CG1 3.36Å; C137-I141 PolarHBondContact O-N 3.5Å; L138-I141 PolarHBondContact O-N 3Å; I141-G143 VanDerWaalsContact C-N 3.34Å; I141-G143 PolarHBondContact O-N 3.05Å; I141-H144 PolarHBondContact O-N 3.46Å; I141-E145 PolarHBondContact O-N 3.42Å; I141-G146 PolarHBondContact O-N 2.9Å; I141-V150 HydrophobicContact CG2-CG2 4.04Å |
| 142 | Y | 82.9 | Confident | 76.3 | Confident | 138 Ų | 138 | 74.4 Ų | 74.4 | 54% | 0.541 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.6 | -41.4 | 176.9 | -176.7 | -96.9 | 0 | 0 | 0 | 111.9 | L138 V139 Q140 H144 G146 L147 V150 | L138-Y142 VanDerWaalsContact O-CB 3.32Å; L138-Y142 WeakPolarHBondContact O-CB 3.37Å; L138-Y142 PolarHBondContact O-N 2.96Å; V139-Y142 PolarHBondContact O-N 3.25Å; Q140-Y142 VanDerWaalsContact C-N 3.31Å; Q140-Y142 PolarHBondContact O-N 3.02Å; Y142-H144 PolarHBondContact O-N 3.37Å; Y142-G146 WeakPolarHBondContact O-CA 3.17Å; Y142-G146 PolarHBondContact O-N 3.21Å; Y142-L147 HydrophobicContact CD2-CD2 4.38Å; Y142-L147 HydrophobicContact CE2-CD2 3.77Å; Y142-L147 HydrophobicContact CE2-CG 3.84Å; Y142-V150 HydrophobicContact CD2-CG2 4.16Å |
| 143 | G | 80.2 | Confident | 76.2 | Confident | 65 Ų | 65 | 65.5 Ų | 65.5 | 67% | 0.67 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -65.3 | -34.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | V139 Q140 I141 | V139-G143 PolarHBondContact O-N 3.48Å; Q140-G143 PolarHBondContact O-N 3.29Å; I141-G143 VanDerWaalsContact C-N 3.34Å; I141-G143 PolarHBondContact O-N 3.05Å |
| 144 | H | 78.9 | Confident | 76.2 | Confident | 166 Ų | 166 | 66.6 Ų | 66.6 | 77% | 0.769 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -94.1 | -38.6 | -176.2 | -76 | -74.1 | 0 | 0 | 0 | 114.7 | Q140 I141 Y142 | Q140-H144 PolarHBondContact O-CD2 2.91Å; Q140-H144 PolarHBondContact O-N 3.39Å; I141-H144 PolarHBondContact O-N 3.46Å; Y142-H144 PolarHBondContact O-N 3.37Å |
| 145 | E | 74.1 | Confident | 76.2 | Confident | 68 Ų | 68 | 70.2 Ų | 70.2 | 32% | 0.318 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -118.7 | -5.2 | -172.8 | -63.9 | -173.5 | -151.6 | 0 | 0 | 113.3 | I141 G149 R152 | I141-E145 PolarHBondContact O-N 3.42Å; E145-G149 PolarHBondContact O-N 2.77Å; E145-G149 WeakPolarHBondContact OE2-CA 3.48Å; E145-R152 IonicContact OE1-NH1 3.88Å; E145-R152 IonicContact OE2-CZ 2.75Å; E145-R152 IonicContact OE2-NH1 3.95Å; E145-R152 PolarHBondContact OE2-NH1 2.92Å |
| 146 | G | 80.7 | Confident | 75.9 | Confident | 25 Ų | 25 | 64 Ų | 64 | 26% | 0.258 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | 64.8 | -163.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | I141 Y142 R148 G149 V150 | I141-G146 PolarHBondContact O-N 2.9Å; Y142-G146 WeakPolarHBondContact O-CA 3.17Å; Y142-G146 PolarHBondContact O-N 3.21Å; G146-R148 PolarHBondContact O-N 2.95Å; G146-R148 VanDerWaalsContact O-N 3.13Å; G146-G149 PolarHBondContact O-N 3.43Å; G146-G149 VanDerWaalsContact O-N 3.12Å; G146-V150 PolarHBondContact O-N 3.39Å |
| 147 | L | 76.3 | Confident | 75.4 | Confident | 118 Ų | 118 | 62 Ų | 62 | 62% | 0.618 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -57.2 | -28.5 | 178.6 | -72.7 | 168.5 | 0 | 0 | 0 | 113.4 | Y142 N151 | Y142-L147 HydrophobicContact CD2-CD2 4.38Å; Y142-L147 HydrophobicContact CE2-CD2 3.77Å; Y142-L147 HydrophobicContact CE2-CG 3.84Å; L147-N151 PolarHBondContact O-N 3.21Å; L147-N151 VanDerWaalsContact O-N 3.12Å; L147-N151 PolarHBondContact O-ND2 2.93Å |
| 148 | R | 71.1 | Confident | 75.1 | Confident | 228 Ų | 228 | 66.1 Ų | 66.1 | 86% | 0.86 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -74.1 | -32.8 | -178.8 | -145 | 175.3 | 179.9 | 172.4 | 0.1 | 111.9 | G146 R152 | G146-R148 PolarHBondContact O-N 2.95Å; G146-R148 VanDerWaalsContact O-N 3.13Å; R148-R152 PolarHBondContact O-N 2.7Å |
| 149 | G | 71.9 | Confident | 74.8 | Confident | 2 Ų | 2 | 69 Ų | 69 | 2% | 0.021 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -71.5 | -39.4 | 172 | 0 | 0 | 0 | 0 | 0 | 113 | L115 E145 G146 N151 R152 | L115-G149 VanDerWaalsContact CD2-O 3.29Å; L115-G149 WeakPolarHBondContact CD2-O 3.23Å; E145-G149 PolarHBondContact O-N 2.77Å; E145-G149 WeakPolarHBondContact OE2-CA 3.48Å; G146-G149 PolarHBondContact O-N 3.43Å; G146-G149 VanDerWaalsContact O-N 3.12Å; G149-N151 VanDerWaalsContact C-N 3.31Å; G149-N151 PolarHBondContact O-N 3.02Å; G149-R152 WeakPolarHBondContact O-CB 3.41Å; G149-R152 PolarHBondContact O-N 3.4Å; G149-R152 VanDerWaalsContact O-N 3.14Å |
| 150 | V | 73.6 | Confident | 74.5 | Confident | 20 Ų | 20 | 65.7 Ų | 65.7 | 12% | 0.121 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.5 | -36.7 | 176.7 | 179 | 0 | 0 | 0 | 0 | 111.7 | P112 L138 I141 Y142 G146 R152 | P112-V150 HydrophobicContact CB-CG1 3.66Å; P112-V150 HydrophobicContact CG-CG1 4.42Å; L138-V150 HydrophobicContact CD2-CG1 4.4Å; I141-V150 HydrophobicContact CG2-CG2 4.04Å; Y142-V150 HydrophobicContact CD2-CG2 4.16Å; G146-V150 PolarHBondContact O-N 3.39Å; V150-R152 VanDerWaalsContact C-N 3.31Å; V150-R152 PolarHBondContact O-N 3.06Å |
| 151 | N | 72.8 | Confident | 74 | Confident | 57 Ų | 57 | 65.5 Ų | 65.5 | 31% | 0.305 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 13.6 | 175.9 | -68.9 | -29.5 | 0 | 0 | 0 | 113.8 | L147 G149 G153 M154 | L147-N151 PolarHBondContact O-N 3.21Å; L147-N151 VanDerWaalsContact O-N 3.12Å; L147-N151 PolarHBondContact O-ND2 2.93Å; G149-N151 VanDerWaalsContact C-N 3.31Å; G149-N151 PolarHBondContact O-N 3.02Å; N151-G153 PolarHBondContact O-N 3.27Å; N151-M154 HydrophobicContact CB-CB 4.47Å; N151-M154 HydrophobicContact CB-CE 4.1Å; N151-M154 VanDerWaalsContact O-CB 3.29Å; N151-M154 WeakPolarHBondContact O-CB 3.27Å; N151-M154 PolarHBondContact O-N 2.94Å |
| 152 | R | 68.6 | Low | 73.8 | Confident | 47 Ų | 47 | 70.2 Ų | 70.2 | 18% | 0.177 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | 117.3 | -178.2 | -166.8 | 172.5 | -175.2 | 145.7 | 2.2 | 110 | E145 R148 G149 V150 D220 | E145-R152 IonicContact OE1-NH1 3.88Å; E145-R152 IonicContact OE2-CZ 2.75Å; E145-R152 IonicContact OE2-NH1 3.95Å; E145-R152 PolarHBondContact OE2-NH1 2.92Å; R148-R152 PolarHBondContact O-N 2.7Å; G149-R152 WeakPolarHBondContact O-CB 3.41Å; G149-R152 PolarHBondContact O-N 3.4Å; G149-R152 VanDerWaalsContact O-N 3.14Å; V150-R152 VanDerWaalsContact C-N 3.31Å; V150-R152 PolarHBondContact O-N 3.06Å; R152-D220 IonicContact CZ-OD2 3Å; R152-D220 IonicContact NH2-OD2 3.57Å; R152-D220 PolarHBondContact NH2-OD2 3.34Å |
| 153 | G | 67.6 | Low | 73.4 | Confident | 11 Ų | 11 | 66.4 Ų | 66.4 | 11% | 0.113 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 96.7 | -1.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | N151 V155 S156 T157 | N151-G153 PolarHBondContact O-N 3.27Å; G153-V155 PolarHBondContact O-N 3.45Å; G153-S156 VanDerWaalsContact C-OG 3.31Å; G153-S156 VanDerWaalsContact CA-OG 3.25Å; G153-S156 WeakPolarHBondContact CA-OG 3.41Å; G153-S156 PolarHBondContact O-N 3.15Å; G153-S156 PolarHBondContact O-OG 3.32Å; G153-T157 PolarHBondContact O-N 2.84Å; G153-T157 PolarHBondContact O-OG1 3.48Å; G153-T157 VanDerWaalsContact O-OG1 3.05Å |
| 154 | M | 71.7 | Confident | 73.1 | Confident | 46 Ų | 46 | 64.5 Ų | 64.5 | 23% | 0.227 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 176.7 | -171.8 | 155.4 | 76.8 | 0 | 0 | 112.1 | C111 N151 S156 T157 L158 | C111-M154 HydrophobicContact CB-SD 4.34Å; N151-M154 HydrophobicContact CB-CB 4.47Å; N151-M154 HydrophobicContact CB-CE 4.1Å; N151-M154 VanDerWaalsContact O-CB 3.29Å; N151-M154 WeakPolarHBondContact O-CB 3.27Å; N151-M154 PolarHBondContact O-N 2.94Å; M154-S156 VanDerWaalsContact C-N 3.34Å; M154-S156 PolarHBondContact O-N 2.9Å; M154-T157 WeakPolarHBondContact O-CB 3.45Å; M154-T157 PolarHBondContact O-N 3.03Å; M154-T157 VanDerWaalsContact O-N 3.13Å; M154-L158 PolarHBondContact O-N 3.45Å |
| 155 | V | 73.1 | Confident | 72.8 | Confident | 103 Ų | 103 | 61.9 Ų | 61.9 | 62% | 0.624 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -62.9 | -40 | 175.4 | 178.1 | 0 | 0 | 0 | 0 | 111.6 | G153 T157 L158 L159 I231 | G153-V155 PolarHBondContact O-N 3.45Å; V155-T157 VanDerWaalsContact C-N 3.31Å; V155-T157 PolarHBondContact O-N 3.47Å; V155-L158 PolarHBondContact O-N 3.29Å; V155-L159 VanDerWaalsContact O-CB 3.28Å; V155-L159 WeakPolarHBondContact O-CB 3.34Å; V155-L159 PolarHBondContact O-N 3Å; V155-I231 HydrophobicContact CB-CD1 4.5Å; V155-I231 HydrophobicContact CG1-CD1 4.09Å |
| 156 | S | 69.3 | Low | 72.8 | Confident | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.014 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.6 | -30.3 | 175 | 50.9 | 0 | 0 | 0 | 0 | 112.7 | G153 M154 R160 | G153-S156 VanDerWaalsContact C-OG 3.31Å; G153-S156 VanDerWaalsContact CA-OG 3.25Å; G153-S156 WeakPolarHBondContact CA-OG 3.41Å; G153-S156 PolarHBondContact O-N 3.15Å; G153-S156 PolarHBondContact O-OG 3.32Å; M154-S156 VanDerWaalsContact C-N 3.34Å; M154-S156 PolarHBondContact O-N 2.9Å; S156-R160 WeakPolarHBondContact O-CB 3.49Å; S156-R160 PolarHBondContact O-N 3.4Å |
| 157 | T | 70.3 | Confident | 72.8 | Confident | 6 Ų | 6 | 61.4 Ų | 61.4 | 4% | 0.037 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.7 | -50.2 | 172.1 | -57.3 | 0 | 0 | 0 | 0 | 110.2 | G153 M154 V155 L159 R160 E161 K214 | G153-T157 PolarHBondContact O-N 2.84Å; G153-T157 PolarHBondContact O-OG1 3.48Å; G153-T157 VanDerWaalsContact O-OG1 3.05Å; M154-T157 WeakPolarHBondContact O-CB 3.45Å; M154-T157 PolarHBondContact O-N 3.03Å; M154-T157 VanDerWaalsContact O-N 3.13Å; V155-T157 VanDerWaalsContact C-N 3.31Å; V155-T157 PolarHBondContact O-N 3.47Å; T157-L159 VanDerWaalsContact C-N 3.32Å; T157-L159 PolarHBondContact O-N 2.88Å; T157-R160 WeakPolarHBondContact O-CA 3.33Å; T157-R160 WeakPolarHBondContact O-CB 3.48Å; T157-R160 PolarHBondContact O-N 2.87Å; T157-E161 HydrophobicContact CG2-CG 4.3Å; T157-E161 WeakPolarHBondContact O-CG 3.3Å; T157-E161 PolarHBondContact O-N 3.44Å; T157-K214 VanDerWaalsContact OG1-CE 3.24Å; T157-K214 WeakPolarHBondContact OG1-CE 3.18Å; T157-K214 PolarHBondContact OG1-NZ 3.44Å |
| 158 | L | 71.4 | Confident | 72.7 | Confident | 88 Ų | 88 | 59.5 Ų | 59.5 | 46% | 0.461 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.1 | -43.2 | 177.8 | -68.7 | 172.6 | 0 | 0 | 0 | 111.8 | M154 V155 R160 E161 T162 | M154-L158 PolarHBondContact O-N 3.45Å; V155-L158 PolarHBondContact O-N 3.29Å; L158-R160 PolarHBondContact O-N 3.1Å; L158-E161 PolarHBondContact O-N 3.23Å; L158-T162 PolarHBondContact O-N 3.33Å; L158-T162 PolarHBondContact O-OG1 3.2Å |
| 159 | L | 73.7 | Confident | 73 | Confident | 93 Ų | 93 | 54 Ų | 54 | 49% | 0.487 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.9 | -22.3 | 176.3 | -168.5 | 66.5 | 0 | 0 | 0 | 113.1 | V155 T157 P163 | V155-L159 VanDerWaalsContact O-CB 3.28Å; V155-L159 WeakPolarHBondContact O-CB 3.34Å; V155-L159 PolarHBondContact O-N 3Å; T157-L159 VanDerWaalsContact C-N 3.32Å; T157-L159 PolarHBondContact O-N 2.88Å; L159-P163 WeakPolarHBondContact O-CD 3.43Å; L159-P163 VanDerWaalsContact O-CG 3.23Å; L159-P163 WeakPolarHBondContact O-CG 3.48Å |
| 160 | R | 75.9 | Confident | 73.5 | Confident | 34 Ų | 34 | 59.6 Ų | 59.6 | 13% | 0.128 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -81.6 | -46.7 | 172.8 | -179 | -166.2 | 71.1 | 177.6 | 2.3 | 111.5 | S156 T157 L158 P163 S164 V210 D211 | S156-R160 WeakPolarHBondContact O-CB 3.49Å; S156-R160 PolarHBondContact O-N 3.4Å; T157-R160 WeakPolarHBondContact O-CA 3.33Å; T157-R160 WeakPolarHBondContact O-CB 3.48Å; T157-R160 PolarHBondContact O-N 2.87Å; L158-R160 PolarHBondContact O-N 3.1Å; R160-P163 WeakPolarHBondContact O-CD 3.42Å; R160-S164 WeakPolarHBondContact O-CB 3.26Å; R160-S164 PolarHBondContact O-N 2.79Å; R160-S164 VanDerWaalsContact O-N 3.15Å; R160-V210 HydrophobicContact CB-CB 4.44Å; R160-V210 HydrophobicContact CB-CG1 3.91Å; R160-D211 IonicContact CZ-OD1 3.77Å; R160-D211 IonicContact NH1-OD1 2.77Å; R160-D211 PolarHBondContact NH1-OD1 3.3Å |
| 161 | E | 71.1 | Confident | 73.7 | Confident | 52 Ų | 52 | 60 Ų | 60 | 24% | 0.243 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.5 | -44.9 | -174.5 | -68.4 | -52.6 | 132.6 | 0 | 0 | 111.8 | T157 L158 S164 F165 | T157-E161 HydrophobicContact CG2-CG 4.3Å; T157-E161 WeakPolarHBondContact O-CG 3.3Å; T157-E161 PolarHBondContact O-N 3.44Å; L158-E161 PolarHBondContact O-N 3.23Å; E161-S164 WeakPolarHBondContact O-CB 3.37Å; E161-S164 PolarHBondContact O-N 3.35Å; E161-F165 HydrophobicContact CB-CD2 4.45Å; E161-F165 HydrophobicContact CB-CE2 4.12Å; E161-F165 WeakPolarHBondContact O-CD2 3.44Å; E161-F165 PolarHBondContact O-N 2.77Å; E161-F165 VanDerWaalsContact O-N 3.08Å |
| 162 | T | 73.8 | Confident | 73.9 | Confident | 106 Ų | 106 | 60.5 Ų | 60.5 | 65% | 0.65 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -60.4 | -50.1 | -175.3 | -54.7 | 0 | 0 | 0 | 0 | 113 | L158 G166 | L158-T162 PolarHBondContact O-N 3.33Å; L158-T162 PolarHBondContact O-OG1 3.2Å; T162-G166 PolarHBondContact O-N 3.49Å |
| 163 | P | 75.6 | Confident | 74.1 | Confident | 58 Ų | 58 | 61.3 Ų | 61.3 | 38% | 0.377 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -69.6 | -32.8 | 175.5 | -19 | 33.7 | 0 | 0 | 0 | 113 | L159 R160 F165 G166 V167 T207 | L159-P163 WeakPolarHBondContact O-CD 3.43Å; L159-P163 VanDerWaalsContact O-CG 3.23Å; L159-P163 WeakPolarHBondContact O-CG 3.48Å; R160-P163 WeakPolarHBondContact O-CD 3.42Å; P163-F165 PolarHBondContact O-N 2.87Å; P163-G166 PolarHBondContact O-N 2.96Å; P163-V167 WeakPolarHBondContact O-CG2 3.34Å; P163-V167 PolarHBondContact O-N 3.31Å; P163-T207 HydrophobicContact CB-CG2 4.24Å |
| 164 | S | 74.2 | Confident | 74.8 | Confident | 24 Ų | 24 | 63.3 Ų | 63.3 | 17% | 0.168 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -56.3 | -49.5 | 179 | -177.3 | 0 | 0 | 0 | 0 | 111.3 | R160 E161 Y168 S203 | R160-S164 WeakPolarHBondContact O-CB 3.26Å; R160-S164 PolarHBondContact O-N 2.79Å; R160-S164 VanDerWaalsContact O-N 3.15Å; E161-S164 WeakPolarHBondContact O-CB 3.37Å; E161-S164 PolarHBondContact O-N 3.35Å; S164-Y168 VanDerWaalsContact O-CB 3.24Å; S164-Y168 WeakPolarHBondContact O-CB 3.28Å; S164-Y168 PolarHBondContact O-N 2.98Å; S164-S203 PolarHBondContact O-OG 3.46Å; S164-S203 PolarHBondContact OG-OG 3.26Å |
| 165 | F | 72.3 | Confident | 75.3 | Confident | 111 Ų | 111 | 63.3 Ų | 63.3 | 49% | 0.487 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.5 | -42.8 | 177.6 | -69.9 | -56.8 | 0 | 0 | 0 | 112 | E161 P163 V167 Y168 F169 | E161-F165 HydrophobicContact CB-CD2 4.45Å; E161-F165 HydrophobicContact CB-CE2 4.12Å; E161-F165 WeakPolarHBondContact O-CD2 3.44Å; E161-F165 PolarHBondContact O-N 2.77Å; E161-F165 VanDerWaalsContact O-N 3.08Å; P163-F165 PolarHBondContact O-N 2.87Å; F165-V167 PolarHBondContact O-N 3.49Å; F165-Y168 PolarHBondContact O-N 3.44Å; F165-F169 HydrophobicContact CB-CD2 4.37Å; F165-F169 HydrophobicContact CB-CE2 4.37Å; F165-F169 HydrophobicContact CD1-CE2 4.39Å; F165-F169 WeakPolarHBondContact O-CD2 3.24Å; F165-F169 PolarHBondContact O-N 2.86Å |
| 166 | G | 74.5 | Confident | 75.7 | Confident | 44 Ų | 44 | 59.5 Ų | 59.5 | 45% | 0.454 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.2 | -49.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T162 P163 L170 | T162-G166 PolarHBondContact O-N 3.49Å; P163-G166 PolarHBondContact O-N 2.96Å; G166-L170 WeakPolarHBondContact O-CB 3.33Å; G166-L170 PolarHBondContact O-N 3.09Å |
| 167 | V | 80 | Confident | 76.3 | Confident | 40 Ų | 40 | 68.1 Ų | 68.1 | 24% | 0.242 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.3 | -38.8 | 178.7 | 175.3 | 0 | 0 | 0 | 0 | 111.4 | P163 F165 T171 M202 | P163-V167 WeakPolarHBondContact O-CG2 3.34Å; P163-V167 PolarHBondContact O-N 3.31Å; F165-V167 PolarHBondContact O-N 3.49Å; V167-T171 VanDerWaalsContact O-CB 3.27Å; V167-T171 WeakPolarHBondContact O-CB 3.46Å; V167-T171 PolarHBondContact O-N 3.45Å; V167-T171 PolarHBondContact O-OG1 3.17Å; V167-M202 HydrophobicContact CG1-CB 4.24Å |
| 168 | Y | 75.1 | Confident | 77 | Confident | 78 Ų | 78 | 71.9 Ų | 71.9 | 31% | 0.306 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59.2 | -56.2 | 177.1 | -177.9 | -92.7 | 0 | 0 | 0 | 111.5 | S164 F165 L170 T171 Y172 S199 | S164-Y168 VanDerWaalsContact O-CB 3.24Å; S164-Y168 WeakPolarHBondContact O-CB 3.28Å; S164-Y168 PolarHBondContact O-N 2.98Å; F165-Y168 PolarHBondContact O-N 3.44Å; Y168-L170 PolarHBondContact O-N 3.4Å; Y168-T171 PolarHBondContact O-N 3.3Å; Y168-Y172 VanDerWaalsContact O-CB 3.24Å; Y168-Y172 WeakPolarHBondContact O-CB 3.39Å; Y168-Y172 PolarHBondContact O-N 2.88Å; Y168-S199 WeakPolarHBondContact CE2-OG 3.39Å; Y168-S199 WeakPolarHBondContact O-CB 3.3Å |
| 169 | F | 77.3 | Confident | 77.5 | Confident | 111 Ų | 111 | 70.6 Ų | 70.6 | 49% | 0.487 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.3 | -41.2 | -177.9 | -75.8 | -64.2 | 0 | 0 | 0 | 112.4 | F165 T171 Y172 D173 | F165-F169 HydrophobicContact CB-CD2 4.37Å; F165-F169 HydrophobicContact CB-CE2 4.37Å; F165-F169 HydrophobicContact CD1-CE2 4.39Å; F165-F169 WeakPolarHBondContact O-CD2 3.24Å; F165-F169 PolarHBondContact O-N 2.86Å; F169-T171 PolarHBondContact O-N 3.49Å; F169-Y172 PolarHBondContact O-N 3.14Å; F169-D173 WeakPolarHBondContact O-CB 3.12Å; F169-D173 PolarHBondContact O-N 3.03Å |
| 170 | L | 81.3 | Confident | 77.8 | Confident | 121 Ų | 121 | 67.8 Ų | 67.8 | 63% | 0.634 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -59.5 | -47.7 | 176.5 | 179.3 | 66.9 | 0 | 0 | 0 | 111.5 | G166 Y168 Y172 A174 | G166-L170 WeakPolarHBondContact O-CB 3.33Å; G166-L170 PolarHBondContact O-N 3.09Å; Y168-L170 PolarHBondContact O-N 3.4Å; L170-Y172 VanDerWaalsContact C-N 3.34Å; L170-A174 VanDerWaalsContact O-CB 3.29Å; L170-A174 WeakPolarHBondContact O-CB 3.4Å; L170-A174 PolarHBondContact O-N 3.01Å |
| 171 | T | 78.6 | Confident | 77.7 | Confident | 28 Ų | 28 | 67.6 Ų | 67.6 | 17% | 0.172 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -68.7 | -37.5 | -179.1 | -50.2 | 0 | 0 | 0 | 0 | 110.9 | V167 Y168 F169 L175 M202 | V167-T171 VanDerWaalsContact O-CB 3.27Å; V167-T171 WeakPolarHBondContact O-CB 3.46Å; V167-T171 PolarHBondContact O-N 3.45Å; V167-T171 PolarHBondContact O-OG1 3.17Å; Y168-T171 PolarHBondContact O-N 3.3Å; F169-T171 PolarHBondContact O-N 3.49Å; T171-L175 HydrophobicContact CG2-CD1 3.82Å; T171-L175 HydrophobicContact CG2-CG 4.4Å; T171-L175 VanDerWaalsContact O-CB 3.3Å; T171-L175 WeakPolarHBondContact O-CB 3.37Å; T171-L175 VanDerWaalsContact O-CG 3.25Å; T171-L175 WeakPolarHBondContact O-CG 3.3Å; T171-L175 PolarHBondContact O-N 2.8Å; T171-M202 HydrophobicContact CG2-CB 4.13Å; T171-M202 HydrophobicContact CG2-CG 4.01Å |
| 172 | Y | 76.3 | Confident | 77.9 | Confident | 67 Ų | 67 | 72 Ų | 72 | 26% | 0.263 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.4 | -48.3 | 177.7 | -176.4 | -96 | 0 | 0 | 0 | 111.9 | Y168 F169 L170 L175 T176 L192 A195 | Y168-Y172 VanDerWaalsContact O-CB 3.24Å; Y168-Y172 WeakPolarHBondContact O-CB 3.39Å; Y168-Y172 PolarHBondContact O-N 2.88Å; F169-Y172 PolarHBondContact O-N 3.14Å; L170-Y172 VanDerWaalsContact C-N 3.34Å; Y172-L175 PolarHBondContact O-N 3.39Å; Y172-T176 HydrophobicContact CD1-CG2 4.17Å; Y172-T176 HydrophobicContact CD2-CG2 4.47Å; Y172-T176 HydrophobicContact CE1-CG2 3.84Å; Y172-T176 HydrophobicContact CE2-CG2 4.15Å; Y172-T176 HydrophobicContact CG-CG2 4.48Å; Y172-T176 WeakPolarHBondContact O-CB 3.44Å; Y172-T176 VanDerWaalsContact O-CG2 3.3Å; Y172-T176 WeakPolarHBondContact O-CG2 3.35Å; Y172-T176 PolarHBondContact O-N 2.88Å; Y172-T176 PolarHBondContact O-OG1 3.49Å; Y172-L192 WeakPolarHBondContact OH-CD2 3.39Å; Y172-A195 HydrophobicContact CD2-CB 4.2Å; Y172-A195 HydrophobicContact CE2-CB 4.23Å |
| 173 | D | 74.2 | Confident | 77.4 | Confident | 64 Ų | 64 | 73.2 Ų | 73.2 | 34% | 0.342 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.3 | -45.4 | 176.8 | 178.4 | 68.8 | 0 | 0 | 0 | 111.4 | F169 L175 T176 R177 | F169-D173 WeakPolarHBondContact O-CB 3.12Å; F169-D173 PolarHBondContact O-N 3.03Å; D173-L175 PolarHBondContact O-N 2.97Å; D173-T176 WeakPolarHBondContact CA-OG1 3.49Å; D173-T176 PolarHBondContact O-N 3.47Å; D173-T176 PolarHBondContact O-OG1 3.21Å; D173-T176 VanDerWaalsContact O-OG1 3.04Å; D173-R177 VanDerWaalsContact CG-NE 3.31Å; D173-R177 WeakPolarHBondContact O-CB 3.42Å; D173-R177 VanDerWaalsContact O-CG 3.29Å; D173-R177 WeakPolarHBondContact O-CG 3.32Å; D173-R177 PolarHBondContact O-N 2.84Å; D173-R177 IonicContact OD1-CZ 3.74Å; D173-R177 VanDerWaalsContact OD1-CZ 3.24Å; D173-R177 IonicContact OD1-NE 3.09Å; D173-R177 PolarHBondContact OD1-NE 2.94Å; D173-R177 IonicContact OD1-NH2 2.89Å; D173-R177 PolarHBondContact OD1-NH2 3.47Å; D173-R177 IonicContact OD2-CZ 2.85Å; D173-R177 IonicContact OD2-NE 3.38Å; D173-R177 PolarHBondContact OD2-NE 2.97Å; D173-R177 VanDerWaalsContact OD2-NE 3.1Å; D173-R177 IonicContact OD2-NH1 2.68Å; D173-R177 IonicContact OD2-NH2 3.93Å; D173-R177 PolarHBondContact OD2-NH2 3.04Å |
| 174 | A | 80.9 | Confident | 76.8 | Confident | 54 Ų | 54 | 74.1 Ų | 74.1 | 45% | 0.446 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.4 | -43.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L170 A178 | L170-A174 VanDerWaalsContact O-CB 3.29Å; L170-A174 WeakPolarHBondContact O-CB 3.4Å; L170-A174 PolarHBondContact O-N 3.01Å; A174-A178 VanDerWaalsContact O-CB 3.26Å; A174-A178 WeakPolarHBondContact O-CB 3.47Å; A174-A178 PolarHBondContact O-N 3.13Å |
| 175 | L | 83.4 | Confident | 76.8 | Confident | 46 Ų | 46 | 75.8 Ų | 75.8 | 24% | 0.241 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -72.5 | -39.7 | -179.8 | -75.8 | 170.3 | 0 | 0 | 0 | 112.8 | T171 Y172 D173 R177 A178 L179 A195 T198 | T171-L175 HydrophobicContact CG2-CD1 3.82Å; T171-L175 HydrophobicContact CG2-CG 4.4Å; T171-L175 VanDerWaalsContact O-CB 3.3Å; T171-L175 WeakPolarHBondContact O-CB 3.37Å; T171-L175 VanDerWaalsContact O-CG 3.25Å; T171-L175 WeakPolarHBondContact O-CG 3.3Å; T171-L175 PolarHBondContact O-N 2.8Å; Y172-L175 PolarHBondContact O-N 3.39Å; D173-L175 PolarHBondContact O-N 2.97Å; L175-R177 VanDerWaalsContact C-N 3.33Å; L175-R177 PolarHBondContact O-N 2.67Å; L175-A178 PolarHBondContact O-N 2.98Å; L175-L179 VanDerWaalsContact O-CB 3.25Å; L175-L179 WeakPolarHBondContact O-CB 3.41Å; L175-L179 WeakPolarHBondContact O-CG 3.3Å; L175-L179 PolarHBondContact O-N 3.26Å; L175-A195 HydrophobicContact CB-CB 3.84Å; L175-T198 HydrophobicContact CD1-CG2 3.67Å |
| 176 | T | 79.9 | Confident | 76.8 | Confident | 23 Ų | 23 | 82.2 Ų | 82.2 | 14% | 0.141 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -66.4 | -36.3 | 178.2 | 48.6 | 0 | 0 | 0 | 0 | 111.9 | Y172 D173 G180 C181 L192 A195 | Y172-T176 HydrophobicContact CD1-CG2 4.17Å; Y172-T176 HydrophobicContact CD2-CG2 4.47Å; Y172-T176 HydrophobicContact CE1-CG2 3.84Å; Y172-T176 HydrophobicContact CE2-CG2 4.15Å; Y172-T176 HydrophobicContact CG-CG2 4.48Å; Y172-T176 WeakPolarHBondContact O-CB 3.44Å; Y172-T176 VanDerWaalsContact O-CG2 3.3Å; Y172-T176 WeakPolarHBondContact O-CG2 3.35Å; Y172-T176 PolarHBondContact O-N 2.88Å; Y172-T176 PolarHBondContact O-OG1 3.49Å; D173-T176 WeakPolarHBondContact CA-OG1 3.49Å; D173-T176 PolarHBondContact O-N 3.47Å; D173-T176 PolarHBondContact O-OG1 3.21Å; D173-T176 VanDerWaalsContact O-OG1 3.04Å; T176-G180 PolarHBondContact O-N 3.45Å; T176-C181 PolarHBondContact O-N 3.43Å; T176-C181 VanDerWaalsContact O-N 3.13Å; T176-L192 HydrophobicContact CG2-CD2 4.03Å; T176-A195 HydrophobicContact CG2-CB 3.83Å |
| 177 | R | 82.3 | Confident | 77 | Confident | 183 Ų | 183 | 84.9 Ų | 84.9 | 69% | 0.691 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -67.6 | -45.4 | 170.8 | -68.4 | 178.3 | -164.4 | -169.8 | 5.3 | 112.2 | D173 L175 L179 G180 | D173-R177 VanDerWaalsContact CG-NE 3.31Å; D173-R177 WeakPolarHBondContact O-CB 3.42Å; D173-R177 VanDerWaalsContact O-CG 3.29Å; D173-R177 WeakPolarHBondContact O-CG 3.32Å; D173-R177 PolarHBondContact O-N 2.84Å; D173-R177 IonicContact OD1-CZ 3.74Å; D173-R177 VanDerWaalsContact OD1-CZ 3.24Å; D173-R177 IonicContact OD1-NE 3.09Å; D173-R177 PolarHBondContact OD1-NE 2.94Å; D173-R177 IonicContact OD1-NH2 2.89Å; D173-R177 PolarHBondContact OD1-NH2 3.47Å; D173-R177 IonicContact OD2-CZ 2.85Å; D173-R177 IonicContact OD2-NE 3.38Å; D173-R177 PolarHBondContact OD2-NE 2.97Å; D173-R177 VanDerWaalsContact OD2-NE 3.1Å; D173-R177 IonicContact OD2-NH1 2.68Å; D173-R177 IonicContact OD2-NH2 3.93Å; D173-R177 PolarHBondContact OD2-NH2 3.04Å; L175-R177 VanDerWaalsContact C-N 3.33Å; L175-R177 PolarHBondContact O-N 2.67Å; R177-L179 VanDerWaalsContact C-N 3.32Å; R177-L179 PolarHBondContact O-N 2.85Å; R177-G180 PolarHBondContact O-N 2.76Å |
| 178 | A | 85 | Confident | 76.9 | Confident | 85 Ų | 85 | 85.1 Ų | 85.1 | 70% | 0.702 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -66.1 | -32.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A174 L175 | A174-A178 VanDerWaalsContact O-CB 3.26Å; A174-A178 WeakPolarHBondContact O-CB 3.47Å; A174-A178 PolarHBondContact O-N 3.13Å; L175-A178 PolarHBondContact O-N 2.98Å |
| 179 | L | 82.7 | Confident | 76.8 | Confident | 61 Ų | 61 | 86.1 Ų | 86.1 | 32% | 0.319 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -7 | 179 | -67.4 | 170.3 | 0 | 0 | 0 | 113.4 | L175 R177 K191 A195 | L175-L179 VanDerWaalsContact O-CB 3.25Å; L175-L179 WeakPolarHBondContact O-CB 3.41Å; L175-L179 WeakPolarHBondContact O-CG 3.3Å; L175-L179 PolarHBondContact O-N 3.26Å; R177-L179 VanDerWaalsContact C-N 3.32Å; R177-L179 PolarHBondContact O-N 2.85Å; L179-K191 HydrophobicContact CB-CB 4.41Å; L179-K191 HydrophobicContact CB-CD 4.31Å; L179-K191 HydrophobicContact CB-CG 4.37Å; L179-K191 HydrophobicContact CD1-CB 4.36Å; L179-K191 WeakPolarHBondContact O-CD 3.32Å; L179-K191 VanDerWaalsContact O-CE 3.29Å; L179-K191 WeakPolarHBondContact O-CE 3.46Å; L179-K191 PolarHBondContact O-NZ 3.27Å; L179-A195 HydrophobicContact CD1-CB 4.36Å |
| 180 | G | 78.8 | Confident | 76.8 | Confident | 33 Ų | 33 | 83.9 Ų | 83.9 | 34% | 0.34 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 56.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | T176 R177 E182 | T176-G180 PolarHBondContact O-N 3.45Å; R177-G180 PolarHBondContact O-N 2.76Å; G180-E182 VanDerWaalsContact C-N 3.32Å; G180-E182 PolarHBondContact O-N 2.84Å |
| 181 | C | 74 | Confident | 76.7 | Confident | 31 Ų | 31 | 80.3 Ų | 80.3 | 21% | 0.209 | 45% | 0.448 | C | S | . | . | trans | -74.7 | 82.3 | 177.4 | -71.8 | 0 | 0 | 0 | 0 | 110.7 | T176 L188 L192 | T176-C181 PolarHBondContact O-N 3.43Å; T176-C181 VanDerWaalsContact O-N 3.13Å; C181-L188 HydrophobicContact CB-CD1 3.78Å; C181-L192 HydrophobicContact CB-CD2 4.29Å | ||
| 182 | E | 76.6 | Confident | 76.6 | Confident | 144 Ų | 144 | 81.7 Ų | 81.7 | 67% | 0.673 | 45% | 0.454 | S | S | * | . | trans | -96.5 | 143.7 | 177.4 | -65.6 | -172.3 | 116 | 0 | 0 | 112.4 | G180 G184 D185 | G180-E182 VanDerWaalsContact C-N 3.32Å; G180-E182 PolarHBondContact O-N 2.84Å; E182-G184 PolarHBondContact O-N 2.89Å; E182-D185 PolarHBondContact O-N 3.2Å | ||
| 183 | P | 63.2 | Low | 76.5 | Confident | 131 Ų | 131 | 84 Ų | 84 | 85% | 0.851 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 109.5 | 173.2 | -16.9 | 29.5 | 0 | 0 | 0 | 110.4 | ||
| 184 | G | 62.8 | Low | 76.9 | Confident | 78 Ų | 78 | 86.2 Ų | 86.2 | 80% | 0.804 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 126.4 | -11.3 | -179 | 0 | 0 | 0 | 0 | 0 | 114.6 | E182 | E182-G184 PolarHBondContact O-N 2.89Š|
| 185 | D | 74.3 | Confident | 76.7 | Confident | 59 Ų | 59 | 83.7 Ų | 83.7 | 32% | 0.316 | 46% | 0.461 | S | S | . | . | trans | -72.6 | 130 | 176.7 | -167.1 | -4.8 | 0 | 0 | 0 | 111.6 | E182 L187 L188 K191 | E182-D185 PolarHBondContact O-N 3.2Å; D185-L187 PolarHBondContact O-N 3.05Å; D185-L187 VanDerWaalsContact O-N 3.16Å; D185-L187 PolarHBondContact OD1-N 3.49Å; D185-L187 VanDerWaalsContact OD1-N 3.17Å; D185-L188 HydrophobicContact CB-CB 4.35Å; D185-L188 WeakPolarHBondContact O-CB 3.39Å; D185-L188 PolarHBondContact O-N 3.21Å; D185-K191 WeakPolarHBondContact OD2-CE 3.44Å; D185-K191 IonicContact OD2-NZ 2.92Å; D185-K191 PolarHBondContact OD2-NZ 3.15Å | ||
| 186 | R | 72.7 | Confident | 76.2 | Confident | 245 Ų | 245 | 82.3 Ų | 82.3 | 93% | 0.925 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -26.2 | 175.1 | -102.5 | 179.9 | 161.9 | -177.8 | -4.4 | 112.2 | ||
| 187 | L | 78.1 | Confident | 76.1 | Confident | 100 Ų | 100 | 83 Ų | 83 | 52% | 0.524 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 9.2 | 179.1 | -82.9 | 81.3 | 0 | 0 | 0 | 113.8 | D185 V189 P190 K191 | D185-L187 PolarHBondContact O-N 3.05Å; D185-L187 VanDerWaalsContact O-N 3.16Å; D185-L187 PolarHBondContact OD1-N 3.49Å; D185-L187 VanDerWaalsContact OD1-N 3.17Å; L187-V189 VanDerWaalsContact C-N 3.33Å; L187-V189 PolarHBondContact O-N 3.19Å; L187-P190 VanDerWaalsContact O-CD 3.27Å; L187-P190 WeakPolarHBondContact O-CD 3.23Å; L187-K191 HydrophobicContact CB-CD 4.38Å; L187-K191 HydrophobicContact CB-CG 4.4Å; L187-K191 WeakPolarHBondContact O-CB 3.4Å; L187-K191 VanDerWaalsContact O-CG 3.3Å; L187-K191 WeakPolarHBondContact O-CG 3.36Å; L187-K191 PolarHBondContact O-N 2.84Å |
| 188 | L | 77.4 | Confident | 76 | Confident | 45 Ų | 45 | 77.1 Ų | 77.1 | 24% | 0.236 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -53.9 | -48 | -178.2 | -177.9 | 64.2 | 0 | 0 | 0 | 112.3 | C181 D185 K191 L192 | C181-L188 HydrophobicContact CB-CD1 3.78Å; D185-L188 HydrophobicContact CB-CB 4.35Å; D185-L188 WeakPolarHBondContact O-CB 3.39Å; D185-L188 PolarHBondContact O-N 3.21Å; L188-K191 PolarHBondContact O-N 3.16Å; L188-L192 HydrophobicContact CD1-CD1 3.96Å; L188-L192 HydrophobicContact CD1-CG 4.12Å; L188-L192 HydrophobicContact CG-CD1 3.83Å; L188-L192 HydrophobicContact CG-CG 4.37Å; L188-L192 WeakPolarHBondContact O-CB 3.47Å; L188-L192 WeakPolarHBondContact O-CG 3.29Å; L188-L192 PolarHBondContact O-N 2.92Å |
| 189 | V | 73.8 | Confident | 75.6 | Confident | 99 Ų | 99 | 73 Ų | 73 | 60% | 0.6 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -63.5 | -50.9 | -178.6 | 175.7 | 0 | 0 | 0 | 0 | 112 | L187 K191 L192 L193 | L187-V189 VanDerWaalsContact C-N 3.33Å; L187-V189 PolarHBondContact O-N 3.19Å; V189-K191 PolarHBondContact O-N 3.17Å; V189-L192 PolarHBondContact O-N 2.99Å; V189-L193 HydrophobicContact CG1-CD1 4.15Å; V189-L193 WeakPolarHBondContact O-CG 3.24Å; V189-L193 PolarHBondContact O-N 3.12Å |
| 190 | P | 77.1 | Confident | 75.2 | Confident | 65 Ų | 65 | 71 Ų | 71 | 42% | 0.422 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -55.7 | -43.1 | 171.7 | -27.7 | 32 | 0 | 0 | 0 | 114.6 | L187 L193 L194 | L187-P190 VanDerWaalsContact O-CD 3.27Å; L187-P190 WeakPolarHBondContact O-CD 3.23Å; P190-L193 PolarHBondContact O-N 3.47Å; P190-L194 WeakPolarHBondContact O-CG 3.44Å; P190-L194 PolarHBondContact O-N 3.28Å |
| 191 | K | 78.3 | Confident | 75.3 | Confident | 45 Ų | 45 | 73.1 Ų | 73.1 | 20% | 0.196 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 179.4 | -72.5 | 174.8 | 173.3 | -173.1 | 0 | 111.8 | L179 D185 L187 L188 V189 L194 A195 | L179-K191 HydrophobicContact CB-CB 4.41Å; L179-K191 HydrophobicContact CB-CD 4.31Å; L179-K191 HydrophobicContact CB-CG 4.37Å; L179-K191 HydrophobicContact CD1-CB 4.36Å; L179-K191 WeakPolarHBondContact O-CD 3.32Å; L179-K191 VanDerWaalsContact O-CE 3.29Å; L179-K191 WeakPolarHBondContact O-CE 3.46Å; L179-K191 PolarHBondContact O-NZ 3.27Å; D185-K191 WeakPolarHBondContact OD2-CE 3.44Å; D185-K191 IonicContact OD2-NZ 2.92Å; D185-K191 PolarHBondContact OD2-NZ 3.15Å; L187-K191 HydrophobicContact CB-CD 4.38Å; L187-K191 HydrophobicContact CB-CG 4.4Å; L187-K191 WeakPolarHBondContact O-CB 3.4Å; L187-K191 VanDerWaalsContact O-CG 3.3Å; L187-K191 WeakPolarHBondContact O-CG 3.36Å; L187-K191 PolarHBondContact O-N 2.84Å; L188-K191 PolarHBondContact O-N 3.16Å; V189-K191 PolarHBondContact O-N 3.17Å; K191-L194 PolarHBondContact O-N 3.02Å; K191-A195 WeakPolarHBondContact O-CB 3.37Å; K191-A195 PolarHBondContact O-N 3.45Å |
| 192 | L | 77.1 | Confident | 75.7 | Confident | 57 Ų | 57 | 75.3 Ų | 75.3 | 30% | 0.298 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.3 | -38.8 | 175.7 | -69.6 | 172.5 | 0 | 0 | 0 | 112.1 | Y172 T176 C181 L188 V189 A195 G196 | Y172-L192 WeakPolarHBondContact OH-CD2 3.39Å; T176-L192 HydrophobicContact CG2-CD2 4.03Å; C181-L192 HydrophobicContact CB-CD2 4.29Å; L188-L192 HydrophobicContact CD1-CD1 3.96Å; L188-L192 HydrophobicContact CD1-CG 4.12Å; L188-L192 HydrophobicContact CG-CD1 3.83Å; L188-L192 HydrophobicContact CG-CG 4.37Å; L188-L192 WeakPolarHBondContact O-CB 3.47Å; L188-L192 WeakPolarHBondContact O-CG 3.29Å; L188-L192 PolarHBondContact O-N 2.92Å; V189-L192 PolarHBondContact O-N 2.99Å; L192-A195 PolarHBondContact O-N 2.84Å; L192-G196 PolarHBondContact O-N 2.66Å |
| 193 | L | 74.5 | Confident | 75.9 | Confident | 116 Ų | 116 | 68.7 Ų | 68.7 | 61% | 0.607 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -64.6 | -41.8 | 175 | -74 | 172.8 | 0 | 0 | 0 | 111.9 | V189 P190 G197 | V189-L193 HydrophobicContact CG1-CD1 4.15Å; V189-L193 WeakPolarHBondContact O-CG 3.24Å; V189-L193 PolarHBondContact O-N 3.12Å; P190-L193 PolarHBondContact O-N 3.47Å; L193-G197 PolarHBondContact O-N 3.36Å |
| 194 | L | 81.1 | Confident | 76.7 | Confident | 111 Ų | 111 | 66.5 Ų | 66.5 | 58% | 0.581 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -65.2 | -44.6 | 174.8 | -73.4 | 171.4 | 0 | 0 | 0 | 111.7 | P190 K191 G197 T198 | P190-L194 WeakPolarHBondContact O-CG 3.44Å; P190-L194 PolarHBondContact O-N 3.28Å; K191-L194 PolarHBondContact O-N 3.02Å; L194-G197 PolarHBondContact O-N 2.96Å; L194-T198 WeakPolarHBondContact O-CB 3.45Å; L194-T198 PolarHBondContact O-N 3.14Å; L194-T198 PolarHBondContact O-OG1 3.07Å |
| 195 | A | 76.9 | Confident | 77.8 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.2 | -45 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y172 L175 T176 L179 K191 L192 S199 | Y172-A195 HydrophobicContact CD2-CB 4.2Å; Y172-A195 HydrophobicContact CE2-CB 4.23Å; L175-A195 HydrophobicContact CB-CB 3.84Å; T176-A195 HydrophobicContact CG2-CB 3.83Å; L179-A195 HydrophobicContact CD1-CB 4.36Å; K191-A195 WeakPolarHBondContact O-CB 3.37Å; K191-A195 PolarHBondContact O-N 3.45Å; L192-A195 PolarHBondContact O-N 2.84Å; A195-S199 VanDerWaalsContact O-CB 3.25Å; A195-S199 WeakPolarHBondContact O-CB 3.43Å; A195-S199 PolarHBondContact O-N 3.29Å; A195-S199 PolarHBondContact O-OG 3.2Å |
| 196 | G | 74.6 | Confident | 78.2 | Confident | 17 Ų | 17 | 66.2 Ų | 66.2 | 18% | 0.175 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.7 | -41 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L192 S199 G200 | L192-G196 PolarHBondContact O-N 2.66Å; G196-S199 WeakPolarHBondContact CA-OG 2.92Å; G196-S199 PolarHBondContact O-OG 3.25Å; G196-G200 PolarHBondContact O-N 2.8Å |
| 197 | G | 76.4 | Confident | 78.7 | Confident | 39 Ų | 39 | 54.6 Ų | 54.6 | 40% | 0.402 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.3 | -49 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L193 L194 G200 I201 | L193-G197 PolarHBondContact O-N 3.36Å; L194-G197 PolarHBondContact O-N 2.96Å; G197-G200 PolarHBondContact O-N 3.3Å; G197-I201 WeakPolarHBondContact O-CG1 3.34Å; G197-I201 PolarHBondContact O-N 2.81Å |
| 198 | T | 81.2 | Confident | 78.9 | Confident | 58 Ų | 58 | 50 Ų | 50 | 36% | 0.356 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -67.5 | -40.2 | -179.4 | -57.5 | 0 | 0 | 0 | 0 | 111.9 | L175 L194 G200 I201 M202 | L175-T198 HydrophobicContact CD1-CG2 3.67Å; L194-T198 WeakPolarHBondContact O-CB 3.45Å; L194-T198 PolarHBondContact O-N 3.14Å; L194-T198 PolarHBondContact O-OG1 3.07Å; T198-G200 VanDerWaalsContact C-N 3.34Å; T198-G200 PolarHBondContact O-N 3.34Å; T198-I201 PolarHBondContact O-N 3.34Å; T198-M202 WeakPolarHBondContact O-CG 3.38Å; T198-M202 PolarHBondContact O-N 3.11Å |
| 199 | S | 75 | Confident | 79.3 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.3 | -39.6 | 173.4 | 53.5 | 0 | 0 | 0 | 0 | 112.4 | Y168 A195 G196 M202 S203 | Y168-S199 WeakPolarHBondContact CE2-OG 3.39Å; Y168-S199 WeakPolarHBondContact O-CB 3.3Å; A195-S199 VanDerWaalsContact O-CB 3.25Å; A195-S199 WeakPolarHBondContact O-CB 3.43Å; A195-S199 PolarHBondContact O-N 3.29Å; A195-S199 PolarHBondContact O-OG 3.2Å; G196-S199 WeakPolarHBondContact CA-OG 2.92Å; G196-S199 PolarHBondContact O-OG 3.25Å; S199-M202 PolarHBondContact O-N 3.44Å; S199-S203 VanDerWaalsContact O-CB 3.25Å; S199-S203 WeakPolarHBondContact O-CB 3.22Å; S199-S203 PolarHBondContact O-N 2.96Å |
| 200 | G | 75.3 | Confident | 79.8 | Confident | 19 Ų | 19 | 47.5 Ų | 47.5 | 20% | 0.196 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.8 | -44.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | G196 G197 T198 S203 W204 | G196-G200 PolarHBondContact O-N 2.8Å; G197-G200 PolarHBondContact O-N 3.3Å; T198-G200 VanDerWaalsContact C-N 3.34Å; T198-G200 PolarHBondContact O-N 3.34Å; G200-S203 PolarHBondContact O-N 2.85Å; G200-W204 VanDerWaalsContact O-CD1 3.28Å; G200-W204 PolarHBondContact O-N 2.96Å |
| 201 | I | 81.1 | Confident | 80 | Confident | 76 Ų | 76 | 44.6 Ų | 44.6 | 39% | 0.39 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.2 | -44.6 | 177.9 | -65.4 | 167.5 | 0 | 0 | 0 | 111 | G197 T198 W204 L205 L255 | G197-I201 WeakPolarHBondContact O-CG1 3.34Å; G197-I201 PolarHBondContact O-N 2.81Å; T198-I201 PolarHBondContact O-N 3.34Å; I201-W204 PolarHBondContact O-N 3.36Å; I201-L205 HydrophobicContact CG2-CD1 3.88Å; I201-L205 HydrophobicContact CG2-CG 4.41Å; I201-L205 WeakPolarHBondContact O-CB 3.39Å; I201-L205 WeakPolarHBondContact O-CG 3.46Å; I201-L205 PolarHBondContact O-N 2.67Å; I201-L255 HydrophobicContact CB-CD2 4.49Å; I201-L255 HydrophobicContact CG1-CD2 4.25Å; I201-L255 HydrophobicContact CG2-CD2 4.1Å |
| 202 | M | 82.3 | Confident | 80.1 | Confident | 78 Ų | 78 | 42.7 Ų | 42.7 | 38% | 0.384 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.9 | -40.4 | 178.8 | -70.9 | -55.5 | 124.4 | 0 | 0 | 112.5 | V167 T171 T198 S199 L205 S206 | V167-M202 HydrophobicContact CG1-CB 4.24Å; T171-M202 HydrophobicContact CG2-CB 4.13Å; T171-M202 HydrophobicContact CG2-CG 4.01Å; T198-M202 WeakPolarHBondContact O-CG 3.38Å; T198-M202 PolarHBondContact O-N 3.11Å; S199-M202 PolarHBondContact O-N 3.44Å; M202-L205 HydrophobicContact CE-CD1 3.55Å; M202-L205 PolarHBondContact O-N 2.92Å; M202-L205 HydrophobicContact SD-CD1 3.94Å; M202-S206 WeakPolarHBondContact O-CB 3.33Å; M202-S206 PolarHBondContact O-N 3.48Å; M202-S206 PolarHBondContact O-OG 3.25Å |
| 203 | S | 81.1 | Confident | 80.5 | Confident | 5 Ų | 5 | 40.2 Ų | 40.2 | 4% | 0.035 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.1 | -48.5 | 173.4 | 175.2 | 0 | 0 | 0 | 0 | 111.2 | S164 S199 G200 L205 S206 T207 | S164-S203 PolarHBondContact O-OG 3.46Å; S164-S203 PolarHBondContact OG-OG 3.26Å; S199-S203 VanDerWaalsContact O-CB 3.25Å; S199-S203 WeakPolarHBondContact O-CB 3.22Å; S199-S203 PolarHBondContact O-N 2.96Å; G200-S203 PolarHBondContact O-N 2.85Å; S203-L205 PolarHBondContact O-N 3.41Å; S203-S206 PolarHBondContact O-N 3.31Å; S203-S206 PolarHBondContact O-OG 2.99Å; S203-T207 PolarHBondContact O-N 2.87Å; S203-T207 VanDerWaalsContact O-N 3.15Å; S203-T207 PolarHBondContact O-OG1 2.87Å |
| 204 | W | 79.9 | Confident | 80.8 | Confident | 85 Ų | 85 | 35 Ų | 35 | 32% | 0.322 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.6 | -44.7 | 175.1 | -87.1 | 107.9 | 0 | 0 | 0 | 112.6 | G200 I201 S206 T207 Y208 T254 L255 | G200-W204 VanDerWaalsContact O-CD1 3.28Å; G200-W204 PolarHBondContact O-N 2.96Å; I201-W204 PolarHBondContact O-N 3.36Å; W204-S206 VanDerWaalsContact C-N 3.32Å; W204-S206 PolarHBondContact O-N 3.39Å; W204-T207 PolarHBondContact O-N 2.83Å; W204-Y208 HydrophobicContact CE3-CD2 4.39Å; W204-Y208 WeakPolarHBondContact O-CA 3.41Å; W204-Y208 WeakPolarHBondContact O-CB 3.34Å; W204-Y208 PolarHBondContact O-N 3.45Å; W204-T254 HydrophobicContact CD2-CG2 3.9Å; W204-T254 HydrophobicContact CE3-CG2 3.79Å; W204-T254 HydrophobicContact CH2-CG2 4.13Å; W204-T254 HydrophobicContact CZ2-CG2 4.23Å; W204-T254 HydrophobicContact CZ3-CG2 3.91Å; W204-L255 HydrophobicContact CB-CD2 4.49Å |
| 205 | L | 84.9 | Confident | 80.5 | Confident | 75 Ų | 75 | 30.5 Ų | 30.5 | 39% | 0.393 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -58.2 | -43 | 178.2 | -80.3 | 166.4 | 0 | 0 | 0 | 112.4 | I201 M202 S203 L251 | I201-L205 HydrophobicContact CG2-CD1 3.88Å; I201-L205 HydrophobicContact CG2-CG 4.41Å; I201-L205 WeakPolarHBondContact O-CB 3.39Å; I201-L205 WeakPolarHBondContact O-CG 3.46Å; I201-L205 PolarHBondContact O-N 2.67Å; M202-L205 HydrophobicContact CE-CD1 3.55Å; M202-L205 PolarHBondContact O-N 2.92Å; M202-L205 HydrophobicContact SD-CD1 3.94Å; S203-L205 PolarHBondContact O-N 3.41Å; L205-L251 HydrophobicContact CD2-CD1 4.42Å; L205-L251 HydrophobicContact CD2-CD2 3.63Å |
| 206 | S | 83.6 | Confident | 80.6 | Confident | 55 Ų | 55 | 31.9 Ų | 31.9 | 39% | 0.385 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -68.3 | -36.5 | -178.9 | 71.7 | 0 | 0 | 0 | 0 | 112.9 | M202 S203 W204 | M202-S206 WeakPolarHBondContact O-CB 3.33Å; M202-S206 PolarHBondContact O-N 3.48Å; M202-S206 PolarHBondContact O-OG 3.25Å; S203-S206 PolarHBondContact O-N 3.31Å; S203-S206 PolarHBondContact O-OG 2.99Å; W204-S206 VanDerWaalsContact C-N 3.32Å; W204-S206 PolarHBondContact O-N 3.39Å |
| 207 | T | 82.9 | Confident | 80.8 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -98.8 | -9.3 | -172.9 | 59 | 0 | 0 | 0 | 0 | 113.9 | P163 S203 W204 P209 V210 D211 | P163-T207 HydrophobicContact CB-CG2 4.24Å; S203-T207 PolarHBondContact O-N 2.87Å; S203-T207 VanDerWaalsContact O-N 3.15Å; S203-T207 PolarHBondContact O-OG1 2.87Å; W204-T207 PolarHBondContact O-N 2.83Å; T207-P209 VanDerWaalsContact C-CD 3.43Å; T207-V210 WeakPolarHBondContact O-CB 3.2Å; T207-V210 PolarHBondContact O-N 2.97Å; T207-D211 PolarHBondContact O-N 3.33Å |
| 208 | Y | 83.1 | Confident | 80.6 | Confident | 3 Ų | 3 | 30 Ų | 30 | 1% | 0.012 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -54.6 | -40.6 | -178.4 | -156.7 | -107.1 | 0 | 0 | 0 | 114.3 | Q30 W204 V210 D211 V212 F247 R249 G250 L251 | Q30-Y208 PolarHBondContact NE2-OH 3.37Å; W204-Y208 HydrophobicContact CE3-CD2 4.39Å; W204-Y208 WeakPolarHBondContact O-CA 3.41Å; W204-Y208 WeakPolarHBondContact O-CB 3.34Å; W204-Y208 PolarHBondContact O-N 3.45Å; Y208-V210 VanDerWaalsContact C-N 3.29Å; Y208-V210 PolarHBondContact O-N 3.27Å; Y208-D211 WeakPolarHBondContact O-CB 3.27Å; Y208-D211 PolarHBondContact O-N 3.13Å; Y208-D211 VanDerWaalsContact O-N 3.14Å; Y208-V212 HydrophobicContact CD1-CG2 4.14Å; Y208-V212 HydrophobicContact CE1-CG2 3.7Å; Y208-V212 PolarHBondContact O-N 3.27Å; Y208-F247 WeakPolarHBondContact CD1-O 3.22Å; Y208-F247 WeakPolarHBondContact CE1-O 3.2Å; Y208-R249 PolarHBondContact OH-O 3.14Å; Y208-G250 VanDerWaalsContact OH-CA 3.24Å; Y208-G250 WeakPolarHBondContact OH-CA 3.05Å; Y208-G250 PolarHBondContact OH-O 3.42Å; Y208-L251 HydrophobicContact CD1-CB 3.89Å; Y208-L251 HydrophobicContact CD1-CD1 4.11Å; Y208-L251 HydrophobicContact CD1-CG 4.45Å; Y208-L251 HydrophobicContact CD2-CB 4.46Å; Y208-L251 HydrophobicContact CD2-CD1 3.68Å; Y208-L251 HydrophobicContact CE1-CB 3.67Å; Y208-L251 HydrophobicContact CE2-CB 4.22Å; Y208-L251 HydrophobicContact CE2-CD1 4.11Å; Y208-L251 HydrophobicContact CG-CB 4.35Å; Y208-L251 HydrophobicContact CG-CD1 3.73Å; Y208-L251 VanDerWaalsContact CZ-CA 3.45Å; Y208-L251 VanDerWaalsContact CZ-N 3.27Å; Y208-L251 PolarHBondContact OH-N 3.23Å |
| 209 | P | 84.7 | Confident | 80.1 | Confident | 53 Ų | 53 | 28 Ų | 28 | 34% | 0.344 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -59.8 | -39.3 | 176.1 | -24.7 | 35.6 | 0 | 0 | 0 | 112.9 | T207 D211 V212 V213 F247 | T207-P209 VanDerWaalsContact C-CD 3.43Å; P209-D211 VanDerWaalsContact C-N 3.34Å; P209-V212 PolarHBondContact O-N 3.41Å; P209-V213 WeakPolarHBondContact O-CG2 3.42Å; P209-V213 PolarHBondContact O-N 3.38Å; P209-F247 HydrophobicContact CB-CB 4.16Å; P209-F247 HydrophobicContact CB-CD1 4.17Å; P209-F247 HydrophobicContact CB-CG 4.39Å; P209-F247 HydrophobicContact CG-CB 4.46Å |
| 210 | V | 84.1 | Confident | 80.1 | Confident | 38 Ų | 38 | 28.6 Ų | 28.6 | 23% | 0.23 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.6 | -37.5 | 177.5 | -174 | 0 | 0 | 0 | 0 | 110.4 | R160 T207 Y208 V213 K214 | R160-V210 HydrophobicContact CB-CB 4.44Å; R160-V210 HydrophobicContact CB-CG1 3.91Å; T207-V210 WeakPolarHBondContact O-CB 3.2Å; T207-V210 PolarHBondContact O-N 2.97Å; Y208-V210 VanDerWaalsContact C-N 3.29Å; Y208-V210 PolarHBondContact O-N 3.27Å; V210-V213 PolarHBondContact O-N 3.28Å; V210-K214 WeakPolarHBondContact O-CB 3.46Å; V210-K214 PolarHBondContact O-N 2.93Å |
| 211 | D | 82.2 | Confident | 79.7 | Confident | 5 Ų | 5 | 28.8 Ų | 28.8 | 3% | 0.027 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.1 | -41.7 | 176 | -163.8 | 72.3 | 0 | 0 | 0 | 112 | K26 R160 T207 Y208 P209 V213 K214 S215 | K26-D211 WeakPolarHBondContact CE-OD2 3.33Å; K26-D211 IonicContact NZ-OD2 3.89Å; K26-D211 PolarHBondContact NZ-OD2 3.06Å; R160-D211 IonicContact CZ-OD1 3.77Å; R160-D211 IonicContact NH1-OD1 2.77Å; R160-D211 PolarHBondContact NH1-OD1 3.3Å; T207-D211 PolarHBondContact O-N 3.33Å; Y208-D211 WeakPolarHBondContact O-CB 3.27Å; Y208-D211 PolarHBondContact O-N 3.13Å; Y208-D211 VanDerWaalsContact O-N 3.14Å; P209-D211 VanDerWaalsContact C-N 3.34Å; D211-V213 PolarHBondContact O-N 2.97Å; D211-K214 WeakPolarHBondContact O-CB 3.13Å; D211-K214 PolarHBondContact O-N 2.93Å; D211-S215 PolarHBondContact O-N 3.46Å; D211-S215 PolarHBondContact O-OG 3.34Å |
| 212 | V | 81 | Confident | 78.9 | Confident | 5 Ų | 5 | 27 Ų | 27 | 3% | 0.03 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.5 | -42.7 | 174.4 | 174.1 | 0 | 0 | 0 | 0 | 111.4 | Y208 P209 S215 R216 | Y208-V212 HydrophobicContact CD1-CG2 4.14Å; Y208-V212 HydrophobicContact CE1-CG2 3.7Å; Y208-V212 PolarHBondContact O-N 3.27Å; P209-V212 PolarHBondContact O-N 3.41Å; V212-S215 PolarHBondContact O-N 3.36Å; V212-R216 WeakPolarHBondContact O-CG 3.34Å; V212-R216 PolarHBondContact O-N 2.9Å |
| 213 | V | 83.7 | Confident | 77.9 | Confident | 4 Ų | 4 | 30.9 Ų | 30.9 | 2% | 0.024 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.5 | -42.5 | 178 | 176.1 | 0 | 0 | 0 | 0 | 111 | P209 V210 D211 R216 L217 I231 C234 V235 F247 | P209-V213 WeakPolarHBondContact O-CG2 3.42Å; P209-V213 PolarHBondContact O-N 3.38Å; V210-V213 PolarHBondContact O-N 3.28Å; D211-V213 PolarHBondContact O-N 2.97Å; V213-R216 PolarHBondContact O-N 3.34Å; V213-L217 HydrophobicContact CG1-CD1 3.91Å; V213-L217 HydrophobicContact CG1-CG 4.4Å; V213-L217 WeakPolarHBondContact O-CB 3.18Å; V213-L217 WeakPolarHBondContact O-CG 3.23Å; V213-L217 PolarHBondContact O-N 2.87Å; V213-I231 HydrophobicContact CG1-CG2 3.91Å; V213-C234 HydrophobicContact CG1-CB 4.22Å; V213-V235 HydrophobicContact CG1-CG2 4.26Å; V213-V235 HydrophobicContact CG2-CG2 3.58Å; V213-F247 HydrophobicContact CG2-CD1 4.49Å; V213-F247 HydrophobicContact CG2-CE1 3.94Å |
| 214 | K | 81.8 | Confident | 77.1 | Confident | 6 Ų | 6 | 32.9 Ų | 32.9 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -55.7 | -53.2 | 173.2 | 173.5 | -178 | 168 | 169.7 | 0 | 110.8 | E114 T157 V210 D211 R216 L217 Q218 | E114-K214 IonicContact OE2-NZ 2.78Å; E114-K214 PolarHBondContact OE2-NZ 3.35Å; T157-K214 VanDerWaalsContact OG1-CE 3.24Å; T157-K214 WeakPolarHBondContact OG1-CE 3.18Å; T157-K214 PolarHBondContact OG1-NZ 3.44Å; V210-K214 WeakPolarHBondContact O-CB 3.46Å; V210-K214 PolarHBondContact O-N 2.93Å; D211-K214 WeakPolarHBondContact O-CB 3.13Å; D211-K214 PolarHBondContact O-N 2.93Å; K214-R216 VanDerWaalsContact C-N 3.3Å; K214-R216 PolarHBondContact O-N 3.47Å; K214-L217 PolarHBondContact O-N 3.48Å; K214-Q218 HydrophobicContact CG-CG 4.41Å; K214-Q218 WeakPolarHBondContact O-CB 3.19Å; K214-Q218 WeakPolarHBondContact O-CG 3.29Å; K214-Q218 PolarHBondContact O-N 3.01Å |
| 215 | S | 75.6 | Confident | 76.6 | Confident | 17 Ų | 17 | 33.1 Ų | 33.1 | 12% | 0.119 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.4 | -40.9 | -179.8 | -67.4 | 0 | 0 | 0 | 0 | 112.3 | Q30 D211 V212 Q218 A219 | Q30-S215 VanDerWaalsContact OE1-CB 3.27Å; Q30-S215 PolarHBondContact OE1-OG 2.94Å; D211-S215 PolarHBondContact O-N 3.46Å; D211-S215 PolarHBondContact O-OG 3.34Å; V212-S215 PolarHBondContact O-N 3.36Å; S215-Q218 PolarHBondContact O-N 3.38Å; S215-A219 VanDerWaalsContact O-CB 3.32Å; S215-A219 WeakPolarHBondContact O-CB 3.46Å; S215-A219 PolarHBondContact O-N 3.16Å |
| 216 | R | 79 | Confident | 76 | Confident | 29 Ų | 29 | 33.5 Ų | 33.5 | 11% | 0.109 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.2 | -42.3 | 177.6 | -75.3 | -178.8 | 175.4 | -129.8 | -18.7 | 112.8 | V212 V213 K214 A219 D220 Y228 S238 E242 | V212-R216 WeakPolarHBondContact O-CG 3.34Å; V212-R216 PolarHBondContact O-N 2.9Å; V213-R216 PolarHBondContact O-N 3.34Å; K214-R216 VanDerWaalsContact C-N 3.3Å; K214-R216 PolarHBondContact O-N 3.47Å; R216-A219 PolarHBondContact O-N 2.91Å; R216-D220 PolarHBondContact O-N 3.05Å; R216-Y228 HydrophobicContact CB-CE2 4.36Å; R216-S238 WeakPolarHBondContact CD-OG 3.32Å; R216-S238 VanDerWaalsContact NH1-CB 3.32Å; R216-S238 PolarHBondContact NH1-OG 2.87Å; R216-E242 IonicContact CZ-OE1 3.27Å; R216-E242 IonicContact NH1-OE1 2.7Å; R216-E242 PolarHBondContact NH1-OE1 3.38Å; R216-E242 IonicContact NH2-OE1 2.95Å; R216-E242 PolarHBondContact NH2-OE1 2.95Å; R216-E242 IonicContact NH2-OE2 3.17Å; R216-E242 PolarHBondContact NH2-OE2 3.33Å |
| 217 | L | 79.1 | Confident | 75.6 | Confident | 11 Ų | 11 | 39.4 Ų | 39.4 | 6% | 0.058 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.9 | -36.6 | 176.5 | -73.1 | 170.6 | 0 | 0 | 0 | 112.3 | V213 K214 A219 D220 Y228 I231 C234 | V213-L217 HydrophobicContact CG1-CD1 3.91Å; V213-L217 HydrophobicContact CG1-CG 4.4Å; V213-L217 WeakPolarHBondContact O-CB 3.18Å; V213-L217 WeakPolarHBondContact O-CG 3.23Å; V213-L217 PolarHBondContact O-N 2.87Å; K214-L217 PolarHBondContact O-N 3.48Å; L217-A219 VanDerWaalsContact C-N 3.34Å; L217-D220 WeakPolarHBondContact O-CB 3.21Å; L217-D220 PolarHBondContact O-N 3.17Å; L217-Y228 HydrophobicContact CD2-CD2 4.32Å; L217-Y228 HydrophobicContact CD2-CG 4.37Å; L217-I231 HydrophobicContact CD1-CB 4.41Å; L217-I231 HydrophobicContact CD1-CG1 3.67Å; L217-C234 HydrophobicContact CD2-CB 3.91Å; L217-C234 HydrophobicContact CG-CB 4.2Å |
| 218 | Q | 71.8 | Confident | 75.4 | Confident | 5 Ų | 5 | 41.1 Ų | 41.1 | 2% | 0.023 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -71.9 | -27.7 | 175.4 | -72.6 | -175.6 | -32.3 | 0 | 0 | 112.5 | L115 T118 R119 K214 S215 | L115-Q218 HydrophobicContact CD1-CB 3.94Å; L115-Q218 HydrophobicContact CD1-CG 4.05Å; T118-Q218 HydrophobicContact CG2-CB 4.26Å; R119-Q218 PolarHBondContact NE-O 3.13Å; R119-Q218 VanDerWaalsContact NE-O 3.09Å; R119-Q218 PolarHBondContact NH2-O 3.33Å; K214-Q218 HydrophobicContact CG-CG 4.41Å; K214-Q218 WeakPolarHBondContact O-CB 3.19Å; K214-Q218 WeakPolarHBondContact O-CG 3.29Å; K214-Q218 PolarHBondContact O-N 3.01Å; S215-Q218 PolarHBondContact O-N 3.38Å |
| 219 | A | 70.5 | Confident | 75.1 | Confident | 18 Ų | 18 | 52.5 Ų | 52.5 | 15% | 0.149 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -81.9 | -18.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | V31 R119 L122 S215 R216 L217 L222 | V31-A219 HydrophobicContact CG2-CB 4.2Å; R119-A219 PolarHBondContact NH1-O 3.42Å; L122-A219 HydrophobicContact CD1-CB 3.55Å; S215-A219 VanDerWaalsContact O-CB 3.32Å; S215-A219 WeakPolarHBondContact O-CB 3.46Å; S215-A219 PolarHBondContact O-N 3.16Å; R216-A219 PolarHBondContact O-N 2.91Å; L217-A219 VanDerWaalsContact C-N 3.34Å; A219-L222 VanDerWaalsContact O-CB 3.31Å; A219-L222 WeakPolarHBondContact O-CB 3.16Å; A219-L222 PolarHBondContact O-N 3.33Å |
| 220 | D | 74.4 | Confident | 74.9 | Confident | 12 Ų | 12 | 51.3 Ų | 51.3 | 6% | 0.064 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | 139 | -174.7 | -169.6 | 26 | 0 | 0 | 0 | 112.3 | R119 R152 R216 L217 L222 R227 Y228 | R119-D220 PolarHBondContact NH1-O 3.16Å; R119-D220 PolarHBondContact NH2-O 3.42Å; R152-D220 IonicContact CZ-OD2 3Å; R152-D220 IonicContact NH2-OD2 3.57Å; R152-D220 PolarHBondContact NH2-OD2 3.34Å; R216-D220 PolarHBondContact O-N 3.05Å; L217-D220 WeakPolarHBondContact O-CB 3.21Å; L217-D220 PolarHBondContact O-N 3.17Å; D220-L222 VanDerWaalsContact C-N 3.33Å; D220-R227 WeakPolarHBondContact OD1-CB 3.13Å; D220-R227 PolarHBondContact OD1-N 2.94Å; D220-R227 PolarHBondContact OD2-N 3.3Å; D220-Y228 HydrophobicContact CB-CD2 3.82Å; D220-Y228 HydrophobicContact CB-CE2 4.36Å; D220-Y228 PolarHBondContact OD2-N 3.4Å |
| 221 | G | 67.2 | Low | 74.8 | Confident | 22 Ų | 22 | 52 Ų | 52 | 23% | 0.227 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | -2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | G224 | G221-G224 CarbonylContact C-O 3.48Å; G221-G224 VanDerWaalsContact CA-O 3.3Å; G221-G224 WeakPolarHBondContact CA-O 3.41Å |
| 222 | L | 64.3 | Low | 74.9 | Confident | 38 Ų | 38 | 59 Ų | 59 | 20% | 0.199 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -33.1 | 176.4 | -158.3 | 90.9 | 0 | 0 | 0 | 112.1 | R119 L122 Y131 A219 D220 | R119-L222 HydrophobicContact CB-CD1 3.91Å; R119-L222 HydrophobicContact CG-CD1 4.13Å; L122-L222 HydrophobicContact CB-CD2 3.61Å; Y131-L222 HydrophobicContact CE2-CD1 3.83Å; A219-L222 VanDerWaalsContact O-CB 3.31Å; A219-L222 WeakPolarHBondContact O-CB 3.16Å; A219-L222 PolarHBondContact O-N 3.33Å; D220-L222 VanDerWaalsContact C-N 3.33Å |
| 223 | R | 61 | Low | 75.2 | Confident | 160 Ų | 160 | 60.9 Ų | 60.9 | 60% | 0.604 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | 22.3 | -173.8 | -69.7 | -175.3 | 167.7 | 150.4 | -2 | 112.7 | V31 | V31-R223 PolarHBondContact O-NH1 3.16Š|
| 224 | G | 65.1 | Low | 75.2 | Confident | 48 Ų | 48 | 60.7 Ų | 60.7 | 50% | 0.495 | 32% | 0.318 | S | S | . | . | S | Bend | trans | 131.6 | -149.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | G221 | G221-G224 CarbonylContact C-O 3.48Å; G221-G224 VanDerWaalsContact CA-O 3.3Å; G221-G224 WeakPolarHBondContact CA-O 3.41Å |
| 225 | A | 69 | Low | 75.4 | Confident | 90 Ų | 90 | 63 Ų | 63 | 74% | 0.744 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -61.3 | 145.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R227 | A225-R227 PolarHBondContact O-N 2.99Š|
| 226 | P | 72 | Confident | 76 | Confident | 82 Ų | 82 | 69.2 Ų | 69.2 | 53% | 0.532 | 35% | 0.354 | S | S | . | . | trans | -59.5 | 125.3 | 177.9 | 24 | -33.1 | 0 | 0 | 0 | 110.7 | ||||
| 227 | R | 74.6 | Confident | 76.3 | Confident | 180 Ų | 180 | 70.9 Ų | 70.9 | 68% | 0.679 | 36% | 0.362 | S | S | * | . | trans | -92.1 | -23.2 | -174.6 | -160.6 | 172.1 | -176.3 | 168 | 2.1 | 112.7 | D220 A225 Q237 | D220-R227 WeakPolarHBondContact OD1-CB 3.13Å; D220-R227 PolarHBondContact OD1-N 2.94Å; D220-R227 PolarHBondContact OD2-N 3.3Å; A225-R227 PolarHBondContact O-N 2.99Å; R227-Q237 PolarHBondContact O-NE2 3.41Å | ||
| 228 | Y | 79.5 | Confident | 76.6 | Confident | 37 Ų | 37 | 70.4 Ų | 70.4 | 15% | 0.145 | 36% | 0.36 | C | S | . | . | trans | -112.6 | 130.2 | -178.1 | -52.9 | -61.1 | 0 | 0 | 0 | 111.6 | R216 L217 D220 C234 Q237 | R216-Y228 HydrophobicContact CB-CE2 4.36Å; L217-Y228 HydrophobicContact CD2-CD2 4.32Å; L217-Y228 HydrophobicContact CD2-CG 4.37Å; D220-Y228 HydrophobicContact CB-CD2 3.82Å; D220-Y228 HydrophobicContact CB-CE2 4.36Å; D220-Y228 PolarHBondContact OD2-N 3.4Å; Y228-C234 HydrophobicContact CD1-CB 3.85Å; Y228-C234 HydrophobicContact CD2-CB 4.35Å; Y228-C234 HydrophobicContact CE1-CB 4.32Å; Y228-C234 HydrophobicContact CG-CB 3.85Å; Y228-Q237 HydrophobicContact CD1-CB 4.5Å; Y228-Q237 HydrophobicContact CE1-CB 4.04Å | ||
| 229 | R | 76.7 | Confident | 77.3 | Confident | 243 Ų | 243 | 76.6 Ų | 76.6 | 92% | 0.917 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -83.1 | -13.6 | 174.2 | -68.5 | -176.1 | 172.1 | -168.3 | -2.1 | 113.4 | D233 | R229-D233 PolarHBondContact N-OD2 2.98Š|
| 230 | G | 80.3 | Confident | 78 | Confident | 28 Ų | 28 | 84.3 Ų | 84.3 | 29% | 0.289 | 41% | 0.409 | S | S | . | . | S | Bend | trans | 172.9 | -173.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D233 C234 | G230-D233 PolarHBondContact O-N 3Å; G230-C234 WeakPolarHBondContact O-CB 3.48Å; G230-C234 PolarHBondContact O-N 3.32Å |
| 231 | I | 83.1 | Confident | 78.5 | Confident | 52 Ų | 52 | 87.4 Ų | 87.4 | 27% | 0.267 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.2 | -50.6 | -176.8 | -62.2 | 170.3 | 0 | 0 | 0 | 111.4 | V155 V213 L217 D233 C234 V235 | V155-I231 HydrophobicContact CB-CD1 4.5Å; V155-I231 HydrophobicContact CG1-CD1 4.09Å; V213-I231 HydrophobicContact CG1-CG2 3.91Å; L217-I231 HydrophobicContact CD1-CB 4.41Å; L217-I231 HydrophobicContact CD1-CG1 3.67Å; I231-D233 VanDerWaalsContact C-N 3.34Å; I231-D233 PolarHBondContact O-N 3.45Å; I231-C234 WeakPolarHBondContact O-CB 3.39Å; I231-C234 PolarHBondContact O-N 2.84Å; I231-V235 WeakPolarHBondContact O-CG2 3.41Å; I231-V235 PolarHBondContact O-N 3.1Å |
| 232 | L | 84.3 | Confident | 79 | Confident | 152 Ų | 152 | 88.4 Ų | 88.4 | 80% | 0.796 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -62.6 | -39.4 | -179 | -78.2 | 154.8 | 0 | 0 | 0 | 112.6 | V235 R236 | L232-V235 PolarHBondContact O-N 3.2Å; L232-R236 WeakPolarHBondContact O-CB 3.21Å; L232-R236 PolarHBondContact O-N 3.25Å |
| 233 | D | 85.6 | Confident | 80 | Confident | 45 Ų | 45 | 87.8 Ų | 87.8 | 24% | 0.241 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -68.2 | -41.7 | 177.1 | -174.3 | 33.7 | 0 | 0 | 0 | 111 | R229 G230 I231 V235 R236 Q237 | R229-D233 PolarHBondContact N-OD2 2.98Å; G230-D233 PolarHBondContact O-N 3Å; I231-D233 VanDerWaalsContact C-N 3.34Å; I231-D233 PolarHBondContact O-N 3.45Å; D233-V235 PolarHBondContact O-N 3.25Å; D233-R236 PolarHBondContact O-N 2.97Å; D233-Q237 WeakPolarHBondContact O-CB 3.18Å; D233-Q237 WeakPolarHBondContact O-CG 3.34Å; D233-Q237 PolarHBondContact O-N 3.43Å; D233-Q237 PolarHBondContact OD1-NE2 2.99Å; D233-Q237 PolarHBondContact OD2-NE2 2.87Å |
| 234 | C | 84.1 | Confident | 81 | Confident | 0 Ų | 0 | 87.9 Ų | 87.9 | 0% | 0 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -59.5 | -44.9 | 172.7 | -177.3 | 0 | 0 | 0 | 0 | 112.1 | V213 L217 Y228 G230 I231 S238 | V213-C234 HydrophobicContact CG1-CB 4.22Å; L217-C234 HydrophobicContact CD2-CB 3.91Å; L217-C234 HydrophobicContact CG-CB 4.2Å; Y228-C234 HydrophobicContact CD1-CB 3.85Å; Y228-C234 HydrophobicContact CD2-CB 4.35Å; Y228-C234 HydrophobicContact CE1-CB 4.32Å; Y228-C234 HydrophobicContact CG-CB 3.85Å; G230-C234 WeakPolarHBondContact O-CB 3.48Å; G230-C234 PolarHBondContact O-N 3.32Å; I231-C234 WeakPolarHBondContact O-CB 3.39Å; I231-C234 PolarHBondContact O-N 2.84Å; C234-S238 WeakPolarHBondContact O-CB 3.32Å; C234-S238 PolarHBondContact O-N 3.49Å; C234-S238 PolarHBondContact O-OG 2.93Å |
| 235 | V | 86.4 | Confident | 81.7 | Confident | 55 Ų | 55 | 94.1 Ų | 94.1 | 33% | 0.333 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61 | -49.9 | 176.4 | 170.7 | 0 | 0 | 0 | 0 | 110.6 | V213 I231 L232 D233 S238 Y239 F247 | V213-V235 HydrophobicContact CG1-CG2 4.26Å; V213-V235 HydrophobicContact CG2-CG2 3.58Å; I231-V235 WeakPolarHBondContact O-CG2 3.41Å; I231-V235 PolarHBondContact O-N 3.1Å; L232-V235 PolarHBondContact O-N 3.2Å; D233-V235 PolarHBondContact O-N 3.25Å; V235-S238 PolarHBondContact O-N 2.92Å; V235-Y239 WeakPolarHBondContact O-CB 3.45Å; V235-Y239 PolarHBondContact O-N 3.43Å; V235-F247 HydrophobicContact CG1-CZ 4.14Å |
| 236 | R | 88.2 | Confident | 82.2 | Confident | 147 Ų | 147 | 90 Ų | 90 | 56% | 0.555 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -64 | -46.3 | -176.8 | -172 | -178 | -174.8 | -175.2 | 4 | 112.2 | L232 D233 R240 | L232-R236 WeakPolarHBondContact O-CB 3.21Å; L232-R236 PolarHBondContact O-N 3.25Å; D233-R236 PolarHBondContact O-N 2.97Å; R236-R240 WeakPolarHBondContact O-CB 3.47Å; R236-R240 WeakPolarHBondContact O-CG 3.46Å; R236-R240 PolarHBondContact O-N 3.38Å |
| 237 | Q | 85.6 | Confident | 82.6 | Confident | 63 Ų | 63 | 87.6 Ų | 87.6 | 29% | 0.294 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.2 | -43.3 | 177.6 | -75.5 | -174.1 | 41.8 | 0 | 0 | 111.5 | R227 Y228 D233 Y239 R240 A241 | R227-Q237 PolarHBondContact O-NE2 3.41Å; Y228-Q237 HydrophobicContact CD1-CB 4.5Å; Y228-Q237 HydrophobicContact CE1-CB 4.04Å; D233-Q237 WeakPolarHBondContact O-CB 3.18Å; D233-Q237 WeakPolarHBondContact O-CG 3.34Å; D233-Q237 PolarHBondContact O-N 3.43Å; D233-Q237 PolarHBondContact OD1-NE2 2.99Å; D233-Q237 PolarHBondContact OD2-NE2 2.87Å; Q237-Y239 PolarHBondContact O-N 2.91Å; Q237-R240 PolarHBondContact O-N 2.89Å; Q237-A241 WeakPolarHBondContact O-CB 3.27Å; Q237-A241 PolarHBondContact O-N 3.48Å |
| 238 | S | 84.7 | Confident | 82.9 | Confident | 1 Ų | 1 | 82.3 Ų | 82.3 | 1% | 0.007 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 178.4 | -61.8 | 0 | 0 | 0 | 0 | 111.7 | R216 C234 V235 A241 E242 | R216-S238 WeakPolarHBondContact CD-OG 3.32Å; R216-S238 VanDerWaalsContact NH1-CB 3.32Å; R216-S238 PolarHBondContact NH1-OG 2.87Å; C234-S238 WeakPolarHBondContact O-CB 3.32Å; C234-S238 PolarHBondContact O-N 3.49Å; C234-S238 PolarHBondContact O-OG 2.93Å; V235-S238 PolarHBondContact O-N 2.92Å; S238-A241 PolarHBondContact O-N 3.46Å; S238-E242 PolarHBondContact O-N 2.87Å |
| 239 | Y | 87.4 | Confident | 82.7 | Confident | 136 Ų | 136 | 83.5 Ų | 83.5 | 53% | 0.533 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.4 | -40.6 | 177 | -176.1 | -101.1 | 0 | 0 | 0 | 112.3 | V235 Q237 G243 W244 F247 | V235-Y239 WeakPolarHBondContact O-CB 3.45Å; V235-Y239 PolarHBondContact O-N 3.43Å; Q237-Y239 PolarHBondContact O-N 2.91Å; Y239-G243 WeakPolarHBondContact O-CA 3.26Å; Y239-G243 PolarHBondContact O-N 2.86Å; Y239-W244 HydrophobicContact CE2-CB 4.06Å; Y239-F247 HydrophobicContact CD2-CE2 4.13Å |
| 240 | R | 85.1 | Confident | 82.4 | Confident | 179 Ų | 179 | 72.4 Ų | 72.4 | 68% | 0.675 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -68.5 | -35.7 | 177.7 | -77.8 | 178.6 | 172.4 | -173.8 | -8.6 | 113.3 | R236 Q237 | R236-R240 WeakPolarHBondContact O-CB 3.47Å; R236-R240 WeakPolarHBondContact O-CG 3.46Å; R236-R240 PolarHBondContact O-N 3.38Å; Q237-R240 PolarHBondContact O-N 2.89Å |
| 241 | A | 83.4 | Confident | 82.3 | Confident | 77 Ų | 77 | 72.4 Ų | 72.4 | 64% | 0.636 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -81.4 | -38 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113 | Q237 S238 | Q237-A241 WeakPolarHBondContact O-CB 3.27Å; Q237-A241 PolarHBondContact O-N 3.48Å; S238-A241 PolarHBondContact O-N 3.46Å |
| 242 | E | 78.9 | Confident | 82 | Confident | 43 Ų | 43 | 73 Ų | 73 | 20% | 0.201 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -126.6 | -4.6 | -167.8 | -70.1 | 172.7 | -111.1 | 0 | 0 | 114.3 | V34 R216 S238 V246 R249 | V34-E242 HydrophobicContact CB-CG 4.16Å; V34-E242 HydrophobicContact CG1-CG 3.73Å; V34-E242 HydrophobicContact CG2-CG 3.4Å; V34-E242 VanDerWaalsContact CG2-OE1 3.28Å; V34-E242 WeakPolarHBondContact CG2-OE1 3.29Å; V34-E242 VanDerWaalsContact CG2-OE2 3.25Å; V34-E242 WeakPolarHBondContact CG2-OE2 3.39Å; R216-E242 IonicContact CZ-OE1 3.27Å; R216-E242 IonicContact NH1-OE1 2.7Å; R216-E242 PolarHBondContact NH1-OE1 3.38Å; R216-E242 IonicContact NH2-OE1 2.95Å; R216-E242 PolarHBondContact NH2-OE1 2.95Å; R216-E242 IonicContact NH2-OE2 3.17Å; R216-E242 PolarHBondContact NH2-OE2 3.33Å; S238-E242 PolarHBondContact O-N 2.87Å; E242-V246 HydrophobicContact CB-CB 3.73Å; E242-V246 HydrophobicContact CB-CG1 4.49Å; E242-V246 HydrophobicContact CB-CG2 3.95Å; E242-V246 HydrophobicContact CG-CG2 4.39Å; E242-V246 VanDerWaalsContact OE2-CG2 3.22Å; E242-V246 WeakPolarHBondContact OE2-CG2 3.45Å; E242-R249 IonicContact OE2-NH1 2.71Å |
| 243 | G | 85.1 | Confident | 81.3 | Confident | 26 Ų | 26 | 65.9 Ų | 65.9 | 27% | 0.268 | 32% | 0.316 | S | S | . | . | trans | 69.3 | -166.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y239 R245 V246 | Y239-G243 WeakPolarHBondContact O-CA 3.26Å; Y239-G243 PolarHBondContact O-N 2.86Å; G243-R245 VanDerWaalsContact C-N 3.33Å; G243-R245 PolarHBondContact O-N 3.28Å; G243-V246 WeakPolarHBondContact O-CG1 3.32Å | ||
| 244 | W | 82.5 | Confident | 80.8 | Confident | 162 Ų | 162 | 64.1 Ų | 64.1 | 61% | 0.614 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -69.9 | -25.4 | -175.6 | 69.9 | -93.4 | 0 | 0 | 0 | 114.2 | Y239 V246 F247 T248 | Y239-W244 HydrophobicContact CE2-CB 4.06Å; W244-V246 PolarHBondContact O-N 3.26Å; W244-V246 VanDerWaalsContact O-N 3.16Å; W244-F247 WeakPolarHBondContact O-CD2 3.47Å; W244-F247 PolarHBondContact O-N 2.99Å; W244-F247 VanDerWaalsContact O-N 3.17Å; W244-T248 HydrophobicContact CZ3-CG2 4.35Å |
| 245 | R | 78.7 | Confident | 80.4 | Confident | 178 Ų | 178 | 66.9 Ų | 66.9 | 67% | 0.672 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -65.7 | -18.4 | -177.6 | -66.1 | -175 | 178.6 | -157.2 | 0.5 | 113.1 | G243 F247 T248 R249 | G243-R245 VanDerWaalsContact C-N 3.33Å; G243-R245 PolarHBondContact O-N 3.28Å; R245-F247 PolarHBondContact O-N 2.78Å; R245-T248 PolarHBondContact O-N 3.34Å; R245-T248 PolarHBondContact O-OG1 3.31Å; R245-T248 VanDerWaalsContact O-OG1 3.12Å; R245-R249 PolarHBondContact O-N 2.94Å |
| 246 | V | 79.3 | Confident | 80 | Confident | 3 Ų | 3 | 68.7 Ų | 68.7 | 2% | 0.018 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -58.7 | -36.8 | 174.6 | 75.4 | 0 | 0 | 0 | 0 | 112.1 | E242 G243 W244 T248 R249 | E242-V246 HydrophobicContact CB-CB 3.73Å; E242-V246 HydrophobicContact CB-CG1 4.49Å; E242-V246 HydrophobicContact CB-CG2 3.95Å; E242-V246 HydrophobicContact CG-CG2 4.39Å; E242-V246 VanDerWaalsContact OE2-CG2 3.22Å; E242-V246 WeakPolarHBondContact OE2-CG2 3.45Å; G243-V246 WeakPolarHBondContact O-CG1 3.32Å; W244-V246 PolarHBondContact O-N 3.26Å; W244-V246 VanDerWaalsContact O-N 3.16Å; V246-T248 PolarHBondContact O-N 3.24Å; V246-R249 WeakPolarHBondContact O-CB 3.27Å; V246-R249 PolarHBondContact O-N 2.94Å |
| 247 | F | 81.8 | Confident | 79.6 | Confident | 32 Ų | 32 | 64.6 Ų | 64.6 | 14% | 0.14 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -76.3 | -10.5 | -176.2 | -60.9 | -70.1 | 0 | 0 | 0 | 113 | Y208 P209 V213 V235 Y239 W244 R245 | Y208-F247 WeakPolarHBondContact CD1-O 3.22Å; Y208-F247 WeakPolarHBondContact CE1-O 3.2Å; P209-F247 HydrophobicContact CB-CB 4.16Å; P209-F247 HydrophobicContact CB-CD1 4.17Å; P209-F247 HydrophobicContact CB-CG 4.39Å; P209-F247 HydrophobicContact CG-CB 4.46Å; V213-F247 HydrophobicContact CG2-CD1 4.49Å; V213-F247 HydrophobicContact CG2-CE1 3.94Å; V235-F247 HydrophobicContact CG1-CZ 4.14Å; Y239-F247 HydrophobicContact CD2-CE2 4.13Å; W244-F247 WeakPolarHBondContact O-CD2 3.47Å; W244-F247 PolarHBondContact O-N 2.99Å; W244-F247 VanDerWaalsContact O-N 3.17Å; R245-F247 PolarHBondContact O-N 2.78Å |
| 248 | T | 79.7 | Confident | 78.9 | Confident | 69 Ų | 69 | 63.3 Ų | 63.3 | 42% | 0.423 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -107.5 | -2.7 | 176.6 | 61.8 | 0 | 0 | 0 | 0 | 112.8 | W244 R245 V246 G250 L251 | W244-T248 HydrophobicContact CZ3-CG2 4.35Å; R245-T248 PolarHBondContact O-N 3.34Å; R245-T248 PolarHBondContact O-OG1 3.31Å; R245-T248 VanDerWaalsContact O-OG1 3.12Å; V246-T248 PolarHBondContact O-N 3.24Å; T248-G250 PolarHBondContact O-N 3.32Å; T248-L251 VanDerWaalsContact O-CB 3.26Å; T248-L251 WeakPolarHBondContact O-CB 3.2Å; T248-L251 PolarHBondContact O-N 3.44Å; T248-L251 VanDerWaalsContact O-N 3.16Å |
| 249 | R | 75.2 | Confident | 78.5 | Confident | 63 Ų | 63 | 71.2 Ų | 71.2 | 24% | 0.238 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | 119.5 | -176.6 | -161.9 | 174.8 | -176.7 | 168.3 | 1 | 110.8 | L29 Y208 E242 R245 V246 | L29-R249 PolarHBondContact O-NE 3.45Å; Y208-R249 PolarHBondContact OH-O 3.14Å; E242-R249 IonicContact OE2-NH1 2.71Å; R245-R249 PolarHBondContact O-N 2.94Å; V246-R249 WeakPolarHBondContact O-CB 3.27Å; V246-R249 PolarHBondContact O-N 2.94Å |
| 250 | G | 71.7 | Confident | 77.9 | Confident | 10 Ų | 10 | 66.5 Ų | 66.5 | 10% | 0.103 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.3 | -2.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y208 T248 A252 S253 T254 | Y208-G250 VanDerWaalsContact OH-CA 3.24Å; Y208-G250 WeakPolarHBondContact OH-CA 3.05Å; Y208-G250 PolarHBondContact OH-O 3.42Å; T248-G250 PolarHBondContact O-N 3.32Å; G250-A252 VanDerWaalsContact C-N 3.3Å; G250-A252 PolarHBondContact O-N 3.27Å; G250-S253 WeakPolarHBondContact O-CB 3.32Å; G250-S253 PolarHBondContact O-N 3.44Å; G250-T254 PolarHBondContact O-N 3.33Å; G250-T254 VanDerWaalsContact O-N 3.17Å; G250-T254 PolarHBondContact O-OG1 2.99Å |
| 251 | L | 77.9 | Confident | 77.3 | Confident | 28 Ų | 28 | 58.9 Ų | 58.9 | 15% | 0.147 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.7 | -44.9 | -179.6 | 175.6 | 62.3 | 0 | 0 | 0 | 111 | L205 Y208 T248 S253 T254 L255 | L205-L251 HydrophobicContact CD2-CD1 4.42Å; L205-L251 HydrophobicContact CD2-CD2 3.63Å; Y208-L251 HydrophobicContact CD1-CB 3.89Å; Y208-L251 HydrophobicContact CD1-CD1 4.11Å; Y208-L251 HydrophobicContact CD1-CG 4.45Å; Y208-L251 HydrophobicContact CD2-CB 4.46Å; Y208-L251 HydrophobicContact CD2-CD1 3.68Å; Y208-L251 HydrophobicContact CE1-CB 3.67Å; Y208-L251 HydrophobicContact CE2-CB 4.22Å; Y208-L251 HydrophobicContact CE2-CD1 4.11Å; Y208-L251 HydrophobicContact CG-CB 4.35Å; Y208-L251 HydrophobicContact CG-CD1 3.73Å; Y208-L251 VanDerWaalsContact CZ-CA 3.45Å; Y208-L251 VanDerWaalsContact CZ-N 3.27Å; Y208-L251 PolarHBondContact OH-N 3.23Å; T248-L251 VanDerWaalsContact O-CB 3.26Å; T248-L251 WeakPolarHBondContact O-CB 3.2Å; T248-L251 PolarHBondContact O-N 3.44Å; T248-L251 VanDerWaalsContact O-N 3.16Å; L251-S253 VanDerWaalsContact C-N 3.26Å; L251-S253 PolarHBondContact O-N 3.31Å; L251-T254 WeakPolarHBondContact O-CA 3.41Å; L251-T254 WeakPolarHBondContact O-CB 3.41Å; L251-T254 PolarHBondContact O-N 2.94Å; L251-L255 HydrophobicContact CD1-CD1 4.1Å; L251-L255 HydrophobicContact CD1-CD2 4.48Å; L251-L255 HydrophobicContact CD1-CG 4.06Å; L251-L255 HydrophobicContact CG-CD1 3.95Å; L251-L255 HydrophobicContact CG-CG 4.31Å; L251-L255 WeakPolarHBondContact O-CG 3.31Å; L251-L255 PolarHBondContact O-N 3.39Å |
| 252 | A | 76.7 | Confident | 76.7 | Confident | 65 Ų | 65 | 59.3 Ų | 59.3 | 54% | 0.537 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -57.9 | -36.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | G250 T254 L256 | G250-A252 VanDerWaalsContact C-N 3.3Å; G250-A252 PolarHBondContact O-N 3.27Å; A252-T254 VanDerWaalsContact C-N 3.33Å; A252-L256 WeakPolarHBondContact O-CB 3.42Å; A252-L256 PolarHBondContact O-N 2.91Å |
| 253 | S | 70.1 | Confident | 76.3 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.007 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.1 | -36 | 176.1 | -163 | 0 | 0 | 0 | 0 | 111.6 | F22 G250 L251 R257 | F22-S253 PolarHBondContact O-OG 3.21Å; G250-S253 WeakPolarHBondContact O-CB 3.32Å; G250-S253 PolarHBondContact O-N 3.44Å; L251-S253 VanDerWaalsContact C-N 3.26Å; L251-S253 PolarHBondContact O-N 3.31Å; S253-R257 VanDerWaalsContact O-CB 3.32Å; S253-R257 WeakPolarHBondContact O-CB 3.2Å; S253-R257 PolarHBondContact O-N 3.46Å |
| 254 | T | 73.6 | Confident | 75.7 | Confident | 9 Ų | 9 | 59.4 Ų | 59.4 | 6% | 0.055 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -71.2 | -42.6 | 179.3 | -51.6 | 0 | 0 | 0 | 0 | 111 | K26 W204 G250 L251 A252 R257 A258 | K26-T254 WeakPolarHBondContact CD-OG1 3.49Å; K26-T254 WeakPolarHBondContact CE-OG1 3.43Å; W204-T254 HydrophobicContact CD2-CG2 3.9Å; W204-T254 HydrophobicContact CE3-CG2 3.79Å; W204-T254 HydrophobicContact CH2-CG2 4.13Å; W204-T254 HydrophobicContact CZ2-CG2 4.23Å; W204-T254 HydrophobicContact CZ3-CG2 3.91Å; G250-T254 PolarHBondContact O-N 3.33Å; G250-T254 VanDerWaalsContact O-N 3.17Å; G250-T254 PolarHBondContact O-OG1 2.99Å; L251-T254 WeakPolarHBondContact O-CA 3.41Å; L251-T254 WeakPolarHBondContact O-CB 3.41Å; L251-T254 PolarHBondContact O-N 2.94Å; A252-T254 VanDerWaalsContact C-N 3.33Å; T254-R257 WeakPolarHBondContact O-CB 3.3Å; T254-R257 PolarHBondContact O-N 3.2Å; T254-A258 PolarHBondContact O-N 2.9Å |
| 255 | L | 76.6 | Confident | 75.1 | Confident | 58 Ų | 58 | 53.5 Ų | 53.5 | 30% | 0.304 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -68.1 | -42.5 | 176.4 | -64.6 | 176.1 | 0 | 0 | 0 | 111.7 | I201 W204 L251 R257 A258 | I201-L255 HydrophobicContact CB-CD2 4.49Å; I201-L255 HydrophobicContact CG1-CD2 4.25Å; I201-L255 HydrophobicContact CG2-CD2 4.1Å; W204-L255 HydrophobicContact CB-CD2 4.49Å; L251-L255 HydrophobicContact CD1-CD1 4.1Å; L251-L255 HydrophobicContact CD1-CD2 4.48Å; L251-L255 HydrophobicContact CD1-CG 4.06Å; L251-L255 HydrophobicContact CG-CD1 3.95Å; L251-L255 HydrophobicContact CG-CG 4.31Å; L251-L255 WeakPolarHBondContact O-CG 3.31Å; L251-L255 PolarHBondContact O-N 3.39Å; L255-R257 VanDerWaalsContact C-N 3.29Å; L255-R257 PolarHBondContact O-N 2.93Å; L255-A258 WeakPolarHBondContact O-CB 3.47Å; L255-A258 PolarHBondContact O-N 3.44Å |
| 256 | L | 78.3 | Confident | 74.8 | Confident | 93 Ų | 93 | 51.4 Ų | 51.4 | 49% | 0.487 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.2 | -33.3 | 177.8 | -172.3 | 65.2 | 0 | 0 | 0 | 112.2 | F22 A252 A258 P260 | F22-L256 HydrophobicContact CE1-CB 4.5Å; F22-L256 HydrophobicContact CE1-CD2 3.84Å; F22-L256 HydrophobicContact CE1-CG 3.89Å; A252-L256 WeakPolarHBondContact O-CB 3.42Å; A252-L256 PolarHBondContact O-N 2.91Å; L256-A258 VanDerWaalsContact C-N 3.32Å; L256-A258 PolarHBondContact O-N 2.98Å; L256-P260 WeakPolarHBondContact O-CD 3.5Å |
| 257 | R | 80.2 | Confident | 74.5 | Confident | 61 Ų | 61 | 53.9 Ų | 53.9 | 23% | 0.23 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.9 | -36.5 | 174.5 | 176.5 | -174.4 | 150.6 | 112.7 | -16 | 112.7 | G19 F22 D23 S253 T254 L255 F259 P260 V261 | G19-R257 PolarHBondContact O-NH1 2.95Å; F22-R257 HydrophobicContact CB-CB 3.58Å; F22-R257 HydrophobicContact CB-CG 3.81Å; F22-R257 HydrophobicContact CD1-CB 4.41Å; F22-R257 HydrophobicContact CD2-CB 4.15Å; F22-R257 HydrophobicContact CD2-CG 4.2Å; F22-R257 HydrophobicContact CG-CB 3.81Å; F22-R257 HydrophobicContact CG-CG 4.21Å; D23-R257 IonicContact OD1-CZ 2.85Å; D23-R257 IonicContact OD1-NE 2.66Å; D23-R257 IonicContact OD1-NH1 3.5Å; D23-R257 PolarHBondContact OD1-NH1 3.02Å; D23-R257 IonicContact OD1-NH2 3.1Å; D23-R257 IonicContact OD2-CZ 2.88Å; D23-R257 IonicContact OD2-NH1 3.69Å; D23-R257 PolarHBondContact OD2-NH1 2.87Å; D23-R257 IonicContact OD2-NH2 3.69Å; S253-R257 VanDerWaalsContact O-CB 3.32Å; S253-R257 WeakPolarHBondContact O-CB 3.2Å; S253-R257 PolarHBondContact O-N 3.46Å; T254-R257 WeakPolarHBondContact O-CB 3.3Å; T254-R257 PolarHBondContact O-N 3.2Å; L255-R257 VanDerWaalsContact C-N 3.29Å; L255-R257 PolarHBondContact O-N 2.93Å; R257-F259 VanDerWaalsContact C-N 3.28Å; R257-F259 PolarHBondContact O-N 2.94Å; R257-P260 WeakPolarHBondContact O-CD 3.47Å; R257-V261 HydrophobicContact CG-CG2 3.65Å; R257-V261 WeakPolarHBondContact O-CB 3.21Å; R257-V261 VanDerWaalsContact O-CG2 3.23Å; R257-V261 WeakPolarHBondContact O-CG2 3.4Å; R257-V261 PolarHBondContact O-N 3.44Å |
| 258 | A | 70.5 | Confident | 74.2 | Confident | 36 Ų | 36 | 54.2 Ų | 54.2 | 30% | 0.298 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.3 | -40.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T254 L255 L256 N262 | T254-A258 PolarHBondContact O-N 2.9Å; L255-A258 WeakPolarHBondContact O-CB 3.47Å; L255-A258 PolarHBondContact O-N 3.44Å; L256-A258 VanDerWaalsContact C-N 3.32Å; L256-A258 PolarHBondContact O-N 2.98Å; A258-N262 VanDerWaalsContact O-CB 3.24Å; A258-N262 WeakPolarHBondContact O-CB 3.23Å; A258-N262 PolarHBondContact O-N 3.45Å; A258-N262 PolarHBondContact O-ND2 3.48Å |
| 259 | F | 75.1 | Confident | 73.9 | Confident | 166 Ų | 166 | 52.7 Ų | 52.7 | 73% | 0.728 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -68.4 | -54.3 | -176.5 | -175.8 | -86.3 | 0 | 0 | 0 | 113.3 | R257 V261 N262 A263 | R257-F259 VanDerWaalsContact C-N 3.28Å; R257-F259 PolarHBondContact O-N 2.94Å; F259-V261 PolarHBondContact O-N 3.03Å; F259-N262 PolarHBondContact O-N 2.87Å; F259-A263 WeakPolarHBondContact O-CB 3.47Å; F259-A263 PolarHBondContact O-N 2.87Å |
| 260 | P | 76.1 | Confident | 73.8 | Confident | 38 Ų | 38 | 53.4 Ų | 53.4 | 25% | 0.247 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61 | -39.9 | 177.4 | -25 | 35.2 | 0 | 0 | 0 | 113.7 | V18 F22 L256 R257 A264 | V18-P260 HydrophobicContact CG1-CB 3.56Å; F22-P260 HydrophobicContact CE2-CB 4.25Å; F22-P260 HydrophobicContact CE2-CG 4.06Å; F22-P260 HydrophobicContact CZ-CG 4.06Å; L256-P260 WeakPolarHBondContact O-CD 3.5Å; R257-P260 WeakPolarHBondContact O-CD 3.47Å; P260-A264 VanDerWaalsContact O-CB 3.32Å; P260-A264 WeakPolarHBondContact O-CB 3.42Å; P260-A264 PolarHBondContact O-N 2.96Å |
| 261 | V | 72.1 | Confident | 74.3 | Confident | 18 Ų | 18 | 57.8 Ų | 57.8 | 11% | 0.109 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65 | -49.6 | -179.5 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | R257 F259 A263 A264 T265 | R257-V261 HydrophobicContact CG-CG2 3.65Å; R257-V261 WeakPolarHBondContact O-CB 3.21Å; R257-V261 VanDerWaalsContact O-CG2 3.23Å; R257-V261 WeakPolarHBondContact O-CG2 3.4Å; R257-V261 PolarHBondContact O-N 3.44Å; F259-V261 PolarHBondContact O-N 3.03Å; V261-A263 PolarHBondContact O-N 3.3Å; V261-A264 PolarHBondContact O-N 3.42Å; V261-T265 WeakPolarHBondContact O-CB 3.41Å; V261-T265 PolarHBondContact O-N 3.33Å; V261-T265 PolarHBondContact O-OG1 3.21Å |
| 262 | N | 70.4 | Confident | 74.4 | Confident | 87 Ų | 87 | 58.7 Ų | 58.7 | 47% | 0.465 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.8 | -43.7 | -179.8 | -67.9 | -12 | 0 | 0 | 0 | 110.8 | A258 F259 A264 T265 F266 | A258-N262 VanDerWaalsContact O-CB 3.24Å; A258-N262 WeakPolarHBondContact O-CB 3.23Å; A258-N262 PolarHBondContact O-N 3.45Å; A258-N262 PolarHBondContact O-ND2 3.48Å; F259-N262 PolarHBondContact O-N 2.87Å; N262-A264 PolarHBondContact O-N 2.9Å; N262-T265 PolarHBondContact O-N 3.25Å; N262-F266 HydrophobicContact CB-CD2 4.41Å; N262-F266 HydrophobicContact CB-CE2 4.44Å; N262-F266 WeakPolarHBondContact O-CD2 3.24Å; N262-F266 PolarHBondContact O-N 3.5Å |
| 263 | A | 70.5 | Confident | 74.4 | Confident | 51 Ų | 51 | 57.2 Ų | 57.2 | 42% | 0.421 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -58.5 | -46.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | F259 V261 A267 | F259-A263 WeakPolarHBondContact O-CB 3.47Å; F259-A263 PolarHBondContact O-N 2.87Å; V261-A263 PolarHBondContact O-N 3.3Å; A263-A267 WeakPolarHBondContact O-CB 3.42Å; A263-A267 PolarHBondContact O-N 2.88Å |
| 264 | A | 73.3 | Confident | 74.8 | Confident | 19 Ų | 19 | 61.7 Ų | 61.7 | 16% | 0.157 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.9 | -45.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V18 P260 V261 N262 A267 T268 | V18-A264 HydrophobicContact CB-CB 3.99Å; V18-A264 HydrophobicContact CG1-CB 4.28Å; V18-A264 HydrophobicContact CG2-CB 3.63Å; P260-A264 VanDerWaalsContact O-CB 3.32Å; P260-A264 WeakPolarHBondContact O-CB 3.42Å; P260-A264 PolarHBondContact O-N 2.96Å; V261-A264 PolarHBondContact O-N 3.42Å; N262-A264 PolarHBondContact O-N 2.9Å; A264-A267 PolarHBondContact O-N 2.72Å; A264-T268 WeakPolarHBondContact O-CB 3.44Å; A264-T268 PolarHBondContact O-N 3.41Å; A264-T268 PolarHBondContact O-OG1 3.48Å |
| 265 | T | 70.4 | Confident | 75.2 | Confident | 39 Ų | 39 | 69.2 Ų | 69.2 | 24% | 0.239 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61 | -48.3 | 178.3 | -65.8 | 0 | 0 | 0 | 0 | 111.7 | G11 G15 V261 N262 T268 V269 | G11-T265 PolarHBondContact O-OG1 2.92Å; G15-T265 VanDerWaalsContact CA-OG1 3.31Å; G15-T265 WeakPolarHBondContact CA-OG1 3.34Å; V261-T265 WeakPolarHBondContact O-CB 3.41Å; V261-T265 PolarHBondContact O-N 3.33Å; V261-T265 PolarHBondContact O-OG1 3.21Å; N262-T265 PolarHBondContact O-N 3.25Å; T265-T268 PolarHBondContact O-N 3.49Å; T265-V269 VanDerWaalsContact O-CG2 3.24Å; T265-V269 WeakPolarHBondContact O-CG2 3.36Å; T265-V269 PolarHBondContact O-N 2.95Å |
| 266 | F | 71.5 | Confident | 75.3 | Confident | 134 Ų | 134 | 67.1 Ų | 67.1 | 59% | 0.588 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -66.2 | -41 | 179.1 | -78.6 | -63.7 | 0 | 0 | 0 | 112.7 | N262 V269 T270 | N262-F266 HydrophobicContact CB-CD2 4.41Å; N262-F266 HydrophobicContact CB-CE2 4.44Å; N262-F266 WeakPolarHBondContact O-CD2 3.24Å; N262-F266 PolarHBondContact O-N 3.5Å; F266-V269 PolarHBondContact O-N 3.36Å; F266-T270 WeakPolarHBondContact O-CB 3.39Å; F266-T270 PolarHBondContact O-N 3.49Å; F266-T270 PolarHBondContact O-OG1 2.77Å |
| 267 | A | 73.1 | Confident | 75.3 | Confident | 54 Ų | 54 | 70.6 Ų | 70.6 | 45% | 0.446 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.4 | -46.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | A263 A264 T270 V271 | A263-A267 WeakPolarHBondContact O-CB 3.42Å; A263-A267 PolarHBondContact O-N 2.88Å; A264-A267 PolarHBondContact O-N 2.72Å; A267-T270 PolarHBondContact O-N 2.97Å; A267-V271 WeakPolarHBondContact O-CB 3.43Å; A267-V271 VanDerWaalsContact O-CG2 3.3Å; A267-V271 WeakPolarHBondContact O-CG2 3.21Å; A267-V271 PolarHBondContact O-N 3.28Å |
| 268 | T | 75.8 | Confident | 74.5 | Confident | 39 Ų | 39 | 70 Ų | 70 | 24% | 0.239 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65.4 | -44.9 | 179.2 | -60.2 | 0 | 0 | 0 | 0 | 112.1 | A10 A14 A264 T265 T270 V271 V272 | A10-T268 HydrophobicContact CB-CG2 3.86Å; A14-T268 HydrophobicContact CB-CG2 4.08Å; A14-T268 WeakPolarHBondContact CB-OG1 3.36Å; A264-T268 WeakPolarHBondContact O-CB 3.44Å; A264-T268 PolarHBondContact O-N 3.41Å; A264-T268 PolarHBondContact O-OG1 3.48Å; T265-T268 PolarHBondContact O-N 3.49Å; T268-T270 VanDerWaalsContact C-N 3.31Å; T268-T270 PolarHBondContact O-N 3.41Å; T268-V271 PolarHBondContact O-N 3.41Å; T268-V272 HydrophobicContact CG2-CG2 4.26Å; T268-V272 WeakPolarHBondContact O-CB 3.3Å; T268-V272 WeakPolarHBondContact O-CG2 3.49Å; T268-V272 PolarHBondContact O-N 2.94Å |
| 269 | V | 73.4 | Confident | 73.9 | Confident | 37 Ų | 37 | 74.9 Ų | 74.9 | 22% | 0.224 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -58.4 | -45.9 | 175.7 | 170.6 | 0 | 0 | 0 | 0 | 110.5 | A7 T265 F266 V272 L273 | A7-V269 HydrophobicContact CB-CG1 4.29Å; A7-V269 WeakPolarHBondContact O-CG2 3.4Å; T265-V269 VanDerWaalsContact O-CG2 3.24Å; T265-V269 WeakPolarHBondContact O-CG2 3.36Å; T265-V269 PolarHBondContact O-N 2.95Å; F266-V269 PolarHBondContact O-N 3.36Å; V269-V272 PolarHBondContact O-N 3Å; V269-L273 HydrophobicContact CG1-CD1 3.74Å; V269-L273 HydrophobicContact CG1-CG 4.39Å; V269-L273 WeakPolarHBondContact O-CB 3.43Å; V269-L273 VanDerWaalsContact O-CG 3.29Å; V269-L273 WeakPolarHBondContact O-CG 3.38Å; V269-L273 PolarHBondContact O-N 3.45Å |
| 270 | T | 73.7 | Confident | 72.8 | Confident | 79 Ų | 79 | 74.6 Ų | 74.6 | 49% | 0.485 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.8 | -50.3 | -179.7 | -55.4 | 0 | 0 | 0 | 0 | 111 | F266 A267 T268 V272 L273 T274 | F266-T270 WeakPolarHBondContact O-CB 3.39Å; F266-T270 PolarHBondContact O-N 3.49Å; F266-T270 PolarHBondContact O-OG1 2.77Å; A267-T270 PolarHBondContact O-N 2.97Å; T268-T270 VanDerWaalsContact C-N 3.31Å; T268-T270 PolarHBondContact O-N 3.41Å; T270-V272 PolarHBondContact O-N 3.45Å; T270-L273 PolarHBondContact O-N 3.04Å; T270-T274 WeakPolarHBondContact O-CB 3.35Å; T270-T274 PolarHBondContact O-N 3.39Å; T270-T274 PolarHBondContact O-OG1 2.94Å |
| 271 | V | 80.3 | Confident | 71.3 | Confident | 101 Ų | 101 | 76.8 Ų | 76.8 | 61% | 0.612 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -60.4 | -44.3 | -179.8 | 169.5 | 0 | 0 | 0 | 0 | 111.6 | A267 T268 T274 Y275 | A267-V271 WeakPolarHBondContact O-CB 3.43Å; A267-V271 VanDerWaalsContact O-CG2 3.3Å; A267-V271 WeakPolarHBondContact O-CG2 3.21Å; A267-V271 PolarHBondContact O-N 3.28Å; T268-V271 PolarHBondContact O-N 3.41Å; V271-T274 PolarHBondContact O-N 2.86Å; V271-Y275 WeakPolarHBondContact O-CB 3.29Å; V271-Y275 PolarHBondContact O-N 2.94Å |
| 272 | V | 81.2 | Confident | 69.4 | Low | 48 Ų | 48 | 78.7 Ų | 78.7 | 29% | 0.291 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.8 | -43 | -179.7 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | A7 A10 T268 V269 T270 A276 | A7-V272 HydrophobicContact CB-CB 4.11Å; A7-V272 HydrophobicContact CB-CG1 3.8Å; A10-V272 HydrophobicContact CB-CG2 4.03Å; T268-V272 HydrophobicContact CG2-CG2 4.26Å; T268-V272 WeakPolarHBondContact O-CB 3.3Å; T268-V272 WeakPolarHBondContact O-CG2 3.49Å; T268-V272 PolarHBondContact O-N 2.94Å; V269-V272 PolarHBondContact O-N 3Å; T270-V272 PolarHBondContact O-N 3.45Å; V272-A276 WeakPolarHBondContact O-CB 3.24Å; V272-A276 PolarHBondContact O-N 3.42Å |
| 273 | L | 77.1 | Confident | 68 | Low | 34 Ų | 34 | 80.7 Ų | 80.7 | 18% | 0.178 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -68.7 | -39.6 | 177.7 | -70.3 | 174.4 | 0 | 0 | 0 | 112.4 | A7 V269 T270 R277 | A7-L273 HydrophobicContact CB-CD1 4.4Å; A7-L273 HydrophobicContact CB-CD2 3.73Å; A7-L273 HydrophobicContact CB-CG 3.7Å; V269-L273 HydrophobicContact CG1-CD1 3.74Å; V269-L273 HydrophobicContact CG1-CG 4.39Å; V269-L273 WeakPolarHBondContact O-CB 3.43Å; V269-L273 VanDerWaalsContact O-CG 3.29Å; V269-L273 WeakPolarHBondContact O-CG 3.38Å; V269-L273 PolarHBondContact O-N 3.45Å; T270-L273 PolarHBondContact O-N 3.04Å; L273-R277 WeakPolarHBondContact O-CB 3.35Å; L273-R277 VanDerWaalsContact O-CG 3.24Å; L273-R277 WeakPolarHBondContact O-CG 3.35Å; L273-R277 PolarHBondContact O-N 3.41Å |
| 274 | T | 78.3 | Confident | 66.4 | Low | 94 Ų | 94 | 88 Ų | 88 | 58% | 0.577 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.3 | -40.9 | 177.7 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | T270 V271 G278 | T270-T274 WeakPolarHBondContact O-CB 3.35Å; T270-T274 PolarHBondContact O-N 3.39Å; T270-T274 PolarHBondContact O-OG1 2.94Å; V271-T274 PolarHBondContact O-N 2.86Å; T274-G278 PolarHBondContact O-N 3.41Å |
| 275 | Y | 81.9 | Confident | 64.3 | Low | 168 Ų | 168 | 91 Ų | 91 | 66% | 0.659 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.5 | -47.3 | 177.6 | -166.2 | -95.4 | 0 | 0 | 0 | 111.6 | V271 R277 G278 E279 | V271-Y275 WeakPolarHBondContact O-CB 3.29Å; V271-Y275 PolarHBondContact O-N 2.94Å; Y275-R277 VanDerWaalsContact C-N 3.34Å; Y275-R277 PolarHBondContact O-N 3.32Å; Y275-G278 PolarHBondContact O-N 3.05Å; Y275-G278 VanDerWaalsContact O-N 3.1Å; Y275-E279 HydrophobicContact CE1-CG 4.45Å; Y275-E279 PolarHBondContact O-N 2.86Å; Y275-E279 VanDerWaalsContact O-N 3.09Å |
| 276 | A | 78.4 | Confident | 62.6 | Low | 14 Ų | 14 | 98.6 Ų | 98.6 | 12% | 0.116 | 56% | 0.563 | C | S | . | * | H | α-helix | trans | -63.9 | -36.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L3 V272 | L3-A276 HydrophobicContact CD1-CB 4.17Å; L3-A276 HydrophobicContact CD2-CB 3.71Å; L3-A276 HydrophobicContact CG-CB 4.48Å; V272-A276 WeakPolarHBondContact O-CB 3.24Å; V272-A276 PolarHBondContact O-N 3.42Å |
| 277 | R | 77.4 | Confident | 60.5 | Low | 165 Ų | 165 | 96.8 Ų | 96.8 | 62% | 0.623 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -74.3 | -26.9 | 174.1 | -70.5 | 175.2 | -177.6 | -175.4 | 0.5 | 112.8 | L273 Y275 E280 | L273-R277 WeakPolarHBondContact O-CB 3.35Å; L273-R277 VanDerWaalsContact O-CG 3.24Å; L273-R277 WeakPolarHBondContact O-CG 3.35Å; L273-R277 PolarHBondContact O-N 3.41Å; Y275-R277 VanDerWaalsContact C-N 3.34Å; Y275-R277 PolarHBondContact O-N 3.32Å; R277-E280 PolarHBondContact O-N 2.93Å |
| 278 | G | 64.2 | Low | 58.7 | Low | 49 Ų | 49 | 100.4 Ų | 100.4 | 51% | 0.505 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -70.7 | -29.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | T274 Y275 A281 | T274-G278 PolarHBondContact O-N 3.41Å; Y275-G278 PolarHBondContact O-N 3.05Å; Y275-G278 VanDerWaalsContact O-N 3.1Å; G278-A281 PolarHBondContact O-N 3.11Å |
| 279 | E | 57.3 | Low | 56.5 | Low | 139 Ų | 139 | 104.2 Ų | 104.2 | 65% | 0.65 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -72.1 | -27.5 | 172.7 | -77.9 | -177 | 108.3 | 0 | 0 | 113.2 | Y275 A281 | Y275-E279 HydrophobicContact CE1-CG 4.45Å; Y275-E279 PolarHBondContact O-N 2.86Å; Y275-E279 VanDerWaalsContact O-N 3.09Å; E279-A281 VanDerWaalsContact C-N 3.29Å |
| 280 | E | 52.8 | Low | 54.7 | Low | 159 Ų | 159 | 107.2 Ų | 107.2 | 74% | 0.743 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -79 | -10.5 | 173.6 | -67 | -159.2 | 164.2 | 0 | 0 | 113.4 | R277 G282 | R277-E280 PolarHBondContact O-N 2.93Å; E280-G282 PolarHBondContact O-N 2.92Å |
| 281 | A | 43.6 | Very low | 52.5 | Low | 85 Ų | 85 | 107.5 Ų | 107.5 | 70% | 0.702 | 65% | 0.653 | S | S | * | * | trans | -99.3 | 47.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | G278 E279 | G278-A281 PolarHBondContact O-N 3.11Å; E279-A281 VanDerWaalsContact C-N 3.29Å | ||
| 282 | G | 33 | Very low | 49.9 | Very low | 58 Ų | 58 | 108.5 Ų | 108.5 | 60% | 0.598 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -149.8 | 145.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113 | E280 | E280-G282 PolarHBondContact O-N 2.92Š|
| 283 | P | 41.4 | Very low | 47.2 | Very low | 129 Ų | 129 | 110.7 Ų | 110.7 | 84% | 0.838 | 69% | 0.687 | S | S | * | * | S | Bend | -99.2 | 106.7 | -51.3 | 32.4 | -16.7 | 0 | 0 | 0 | 109.5 | |||
| 284 | E | 36.3 | Very low | 44.9 | Very low | 203 Ų | 203 | 113.6 Ų | 113.6 | 95% | 0.949 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -167.7 | 113.3 | 149.4 | -109.8 | 177.3 | -158.5 | 0 | 0 | 108.5 | ||
| 285 | G | 29.8 | Very low | 42.8 | Very low | 84 Ų | 84 | 114.6 Ų | 114.6 | 87% | 0.866 | 72% | 0.724 | S | S | * | * | trans | 106.7 | 78.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 286 | E | 33.9 | Very low | 40.1 | Very low | 198 Ų | 198 | 111.3 Ų | 111.3 | 93% | 0.925 | 73% | 0.732 | S | S | * | * | trans | -74.2 | 124.3 | 165.7 | -171.2 | 173.1 | 175.6 | 0 | 0 | 111.1 | ||||
| 287 | A | 27.5 | Very low | 37.6 | Very low | 95 Ų | 95 | 112.6 Ų | 112.6 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | trans | 176.9 | 115.3 | 136.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 288 | V | 35.7 | Very low | 35.2 | Very low | 130 Ų | 130 | 110.3 Ų | 110.3 | 79% | 0.788 | 75% | 0.754 | S | S | * | * | trans | -82.3 | 153.2 | 174.9 | -177 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 289 | P | 30.1 | Very low | 33.3 | Very low | 119 Ų | 119 | 111.3 Ų | 111.3 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | -135.7 | 143.1 | 105.9 | 24.8 | -6.8 | 0 | 0 | 0 | 113.2 | A291 | P289-A291 PolarHBondContact O-N 3.02Å; P289-A291 VanDerWaalsContact O-N 3.11Å | |||
| 290 | A | 36 | Very low | 31.9 | Very low | 101 Ų | 101 | 111.6 Ų | 111.6 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | trans | -57.8 | 108.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 291 | A | 26.4 | Very low | 30.5 | Very low | 84 Ų | 84 | 106.4 Ų | 106.4 | 69% | 0.694 | 75% | 0.747 | S | S | * | * | trans | -166.2 | 123.1 | 159.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | P289 | P289-A291 PolarHBondContact O-N 3.02Å; P289-A291 VanDerWaalsContact O-N 3.11Å | ||
| 292 | S | 26.1 | Very low | 29.5 | Very low | 123 Ų | 123 | 110.9 Ų | 110.9 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | trans | 76.4 | 147.9 | 149.4 | 82 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 293 | A | 24.7 | Very low | 29.2 | Very low | 93 Ų | 93 | 114.2 Ų | 114.2 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | trans | 85.4 | 83.2 | 161.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 294 | A | 27.5 | Very low | 28.4 | Very low | 96 Ų | 96 | 113.7 Ų | 113.7 | 79% | 0.793 | 76% | 0.764 | S | S | * | * | -70 | 147.6 | 121.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 295 | P | 34 | Very low | 27.8 | Very low | 114 Ų | 114 | 109.4 Ų | 109.4 | 74% | 0.74 | 76% | 0.756 | S | S | * | * | cis | -143.3 | 135.4 | 48.5 | 35.7 | -15.1 | 0 | 0 | 0 | 115.7 | G297 | P295-G297 PolarHBondContact O-N 3.39Š| ||
| 296 | A | 26.6 | Very low | 27.6 | Very low | 99 Ų | 99 | 117.3 Ų | 117.3 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -89.3 | 64.2 | 149 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 297 | G | 25.9 | Very low | 27.3 | Very low | 42 Ų | 42 | 113.3 Ų | 113.3 | 43% | 0.433 | 77% | 0.77 | S | S | . | * | S | Bend | trans | -105.8 | 158 | 159.2 | 0 | 0 | 0 | 0 | 0 | 108 | P295 A299 | P295-G297 PolarHBondContact O-N 3.39Å; G297-A299 PolarHBondContact O-N 2.98Å |
| 298 | P | 25.9 | Very low | 27.3 | Very low | 117 Ų | 117 | 114.3 Ų | 114.3 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | trans | -59.7 | 130 | 174.7 | 27.8 | -31 | 0 | 0 | 0 | 107.9 | L300 | P298-L300 PolarHBondContact O-N 3.1Š| ||
| 299 | A | 25.8 | Very low | 26.8 | Very low | 70 Ų | 70 | 113.4 Ų | 113.4 | 58% | 0.579 | 77% | 0.768 | S | S | * | * | trans | -47.7 | 109.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111 | G297 A301 | G297-A299 PolarHBondContact O-N 2.98Å; A299-A301 PolarHBondContact O-N 3.09Å | ||
| 300 | L | 26.3 | Very low | 26.7 | Very low | 144 Ų | 144 | 113.1 Ų | 113.1 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | trans | -71.8 | 117.8 | 166.2 | -85.2 | 160.1 | 0 | 0 | 0 | 107.3 | P298 Q302 | P298-L300 PolarHBondContact O-N 3.1Å; L300-Q302 PolarHBondContact O-N 3.47Å | ||
| 301 | A | 24.3 | Very low | 26.1 | Very low | 51 Ų | 51 | 113.8 Ų | 113.8 | 42% | 0.421 | 76% | 0.763 | S | S | . | * | trans | -45 | 128.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | P92 A299 | P92-A301 HydrophobicContact CB-CB 3.58Å; P92-A301 HydrophobicContact CG-CB 3.42Å; P92-A301 VanDerWaalsContact CG-CB 3.42Å; A299-A301 PolarHBondContact O-N 3.09Å | ||
| 302 | Q | 22.5 | Very low | 26 | Very low | 179 Ų | 179 | 115.8 Ų | 115.8 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | trans | -63.2 | 140.3 | 166.7 | -66.4 | -163.5 | -29.3 | 0 | 0 | 110 | L300 S304 | L300-Q302 PolarHBondContact O-N 3.47Å; Q302-S304 PolarHBondContact O-N 3.4Å | ||
| 303 | P | 27.1 | Very low | 26 | Very low | 127 Ų | 127 | 115.3 Ų | 115.3 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | trans | -73.1 | 114.3 | 164.4 | 29 | -27.9 | 0 | 0 | 0 | 108.2 | S305 | P303-S305 PolarHBondContact O-N 3.44Š| ||
| 304 | S | 24.5 | Very low | 26.1 | Very low | 119 Ų | 119 | 117 Ų | 117 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | trans | -62.4 | 128.3 | 167 | 21.1 | 0 | 0 | 0 | 0 | 109.5 | Q302 | Q302-S304 PolarHBondContact O-N 3.4Š| ||
| 305 | S | 23.6 | Very low | 26 | Very low | 113 Ų | 113 | 118.8 Ų | 118.8 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | trans | -58.2 | 133.3 | 174.5 | 45.7 | 0 | 0 | 0 | 0 | 113 | P303 | P303-S305 PolarHBondContact O-N 3.44Š| ||
| 306 | L | 26.1 | Very low | 25.3 | Very low | 250 Ų | 250 | 119.2 Ų | 119.2 | 100% | 1.309 | 76% | 0.76 | S | S | * | * | -124.9 | 0 | 129.9 | -83.3 | 172.8 | 0 | 0 | 0 | 107.6 |
Retrieved 306 of 306 residues in 824.8 ms
(Link to these results)