| 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 | 40.7 | Very low | 65.3 | Low | 142 Ų | 142 | 91.5 Ų | 91.5 | 70% | 0.7 | 49% | 0.485 | S | S | * | . | 0 | -36.2 | 0 | -72.9 | -64.6 | 109.1 | 0 | 0 | 111.2 | S3 H4 L63 | M1-S3 PolarHBondContact O-N 3.37Å; M1-S3 VanDerWaalsContact O-N 3.1Å; M1-H4 PolarHBondContact O-N 3.18Å; M1-L63 HydrophobicContact CE-CD2 3.41Å; M1-L63 VanDerWaalsContact CE-CD2 3.41Å | |||
| 2 | D | 47.8 | Very low | 67.3 | Low | 151 Ų | 151 | 88.3 Ų | 88.3 | 81% | 0.807 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -60.1 | -17.2 | 178.9 | -56 | -10.9 | 0 | 0 | 0 | 115.8 | H4 | D2-H4 VanDerWaalsContact C-N 3.27Å; D2-H4 PolarHBondContact O-N 3.38Å |
| 3 | S | 49.3 | Very low | 69 | Low | 69 Ų | 69 | 81.5 Ų | 81.5 | 48% | 0.483 | 43% | 0.432 | S | S | . | . | G | 310 helix | trans | -70 | -19.3 | 177.7 | 50.3 | 0 | 0 | 0 | 0 | 114.1 | M1 E5 Q6 | M1-S3 PolarHBondContact O-N 3.37Å; M1-S3 VanDerWaalsContact O-N 3.1Å; S3-E5 VanDerWaalsContact C-N 3.31Å; S3-E5 PolarHBondContact O-N 2.69Å; S3-Q6 PolarHBondContact O-N 2.92Å |
| 4 | H | 48.7 | Very low | 70.4 | Confident | 39 Ų | 39 | 79.9 Ų | 79.9 | 18% | 0.181 | 42% | 0.417 | C | S | . | . | G | 310 helix | trans | -70 | -25.1 | -178.7 | -79.9 | -77.2 | 0 | 0 | 0 | 113.7 | M1 D2 Q6 S11 | M1-H4 PolarHBondContact O-N 3.18Å; D2-H4 VanDerWaalsContact C-N 3.27Å; D2-H4 PolarHBondContact O-N 3.38Å; H4-Q6 VanDerWaalsContact C-N 3.27Å; H4-Q6 PolarHBondContact O-N 2.94Å; H4-S11 PolarHBondContact ND1-OG 3.22Å; H4-S11 PolarHBondContact O-OG 2.89Å |
| 5 | E | 52.2 | Low | 71.7 | Confident | 187 Ų | 187 | 82.9 Ų | 82.9 | 87% | 0.874 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -72.8 | -20.9 | 177 | -81.4 | -172 | 156.3 | 0 | 0 | 112.8 | S3 | S3-E5 VanDerWaalsContact C-N 3.31Å; S3-E5 PolarHBondContact O-N 2.69Å |
| 6 | Q | 60.5 | Low | 72.9 | Confident | 155 Ų | 155 | 78.4 Ų | 78.4 | 72% | 0.724 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -29.3 | -173.5 | -150.8 | 70.8 | 28.7 | 0 | 0 | 113.8 | S3 H4 | S3-Q6 PolarHBondContact O-N 2.92Å; H4-Q6 VanDerWaalsContact C-N 3.27Å; H4-Q6 PolarHBondContact O-N 2.94Å |
| 7 | N | 75.3 | Confident | 74 | Confident | 68 Ų | 68 | 74 Ų | 74 | 36% | 0.364 | 38% | 0.382 | S | S | . | . | trans | -126 | 102.3 | -171.7 | -68.8 | -34 | 0 | 0 | 0 | 112.2 | E9 V10 S11 | N7-E9 PolarHBondContact O-N 3.1Å; N7-V10 HydrophobicContact CB-CB 4.15Å; N7-V10 HydrophobicContact CB-CG2 3.81Å; N7-V10 PolarHBondContact O-N 3.37Å; N7-V10 VanDerWaalsContact O-N 3.17Å; N7-S11 PolarHBondContact O-N 3.18Å | ||
| 8 | P | 82.5 | Confident | 74.8 | Confident | 99 Ų | 99 | 76.4 Ų | 76.4 | 64% | 0.643 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -62.2 | -31.1 | -178.3 | 25 | -34 | 0 | 0 | 0 | 112.7 | L12 | P8-L12 VanDerWaalsContact O-CG 3.29Å; P8-L12 WeakPolarHBondContact O-CG 3.48Å; P8-L12 PolarHBondContact O-N 3.28Å |
| 9 | E | 87.4 | Confident | 75.6 | Confident | 42 Ų | 42 | 73.7 Ų | 73.7 | 20% | 0.196 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.8 | -38.7 | 177.5 | -65.8 | -173.1 | -167.2 | 0 | 0 | 113 | N7 S13 I116 K119 | N7-E9 PolarHBondContact O-N 3.1Å; E9-S13 WeakPolarHBondContact O-CB 3.43Å; E9-S13 PolarHBondContact O-N 3.41Å; E9-S13 PolarHBondContact O-OG 3.44Å; E9-I116 HydrophobicContact CG-CD1 4.45Å; E9-I116 HydrophobicContact CG-CG1 4.44Å; E9-K119 IonicContact OE1-NZ 3.59Å; E9-K119 PolarHBondContact OE1-NZ 3.29Å; E9-K119 IonicContact OE2-NZ 3.82Å |
| 10 | V | 87 | Confident | 76.2 | Confident | 13 Ų | 13 | 70.1 Ų | 70.1 | 8% | 0.079 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -70.8 | -42.3 | -179.3 | 178.5 | 0 | 0 | 0 | 0 | 109.9 | N7 L12 S13 W14 F62 Y67 R68 | N7-V10 HydrophobicContact CB-CB 4.15Å; N7-V10 HydrophobicContact CB-CG2 3.81Å; N7-V10 PolarHBondContact O-N 3.37Å; N7-V10 VanDerWaalsContact O-N 3.17Å; V10-L12 PolarHBondContact O-N 3.18Å; V10-S13 WeakPolarHBondContact O-CB 3.39Å; V10-S13 PolarHBondContact O-N 3.31Å; V10-S13 VanDerWaalsContact O-N 3.16Å; V10-W14 PolarHBondContact O-N 3.06Å; V10-F62 HydrophobicContact CG1-CD1 3.98Å; V10-F62 HydrophobicContact CG1-CE1 4Å; V10-Y67 WeakPolarHBondContact CG2-O 3.45Å; V10-R68 VanDerWaalsContact CG2-C 3.44Å; V10-R68 VanDerWaalsContact CG2-O 3.29Å; V10-R68 WeakPolarHBondContact CG2-O 3.36Å |
| 11 | S | 86.9 | Confident | 76.8 | Confident | 41 Ų | 41 | 69 Ų | 69 | 29% | 0.287 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.2 | -40.6 | 176.5 | -63 | 0 | 0 | 0 | 0 | 112.2 | H4 N7 W14 E15 | H4-S11 PolarHBondContact ND1-OG 3.22Å; H4-S11 PolarHBondContact O-OG 2.89Å; N7-S11 PolarHBondContact O-N 3.18Å; S11-W14 PolarHBondContact O-N 3.41Å; S11-E15 PolarHBondContact O-N 3.11Å |
| 12 | L | 88.9 | Confident | 79 | Confident | 54 Ų | 54 | 63.9 Ų | 63.9 | 28% | 0.283 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 171.2 | -72.8 | 169.7 | 0 | 0 | 0 | 112.4 | P8 V10 W14 E15 I16 I116 | P8-L12 VanDerWaalsContact O-CG 3.29Å; P8-L12 WeakPolarHBondContact O-CG 3.48Å; P8-L12 PolarHBondContact O-N 3.28Å; V10-L12 PolarHBondContact O-N 3.18Å; L12-W14 VanDerWaalsContact C-N 3.34Å; L12-E15 PolarHBondContact O-N 3.49Å; L12-I16 WeakPolarHBondContact O-CG1 3.42Å; L12-I16 PolarHBondContact O-N 3.06Å; L12-I116 HydrophobicContact CD1-CD1 3.66Å |
| 13 | S | 89.4 | Confident | 80.8 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.7 | -39.3 | 179.5 | -54.7 | 0 | 0 | 0 | 0 | 111.6 | E9 V10 I16 L17 I70 | E9-S13 WeakPolarHBondContact O-CB 3.43Å; E9-S13 PolarHBondContact O-N 3.41Å; E9-S13 PolarHBondContact O-OG 3.44Å; V10-S13 WeakPolarHBondContact O-CB 3.39Å; V10-S13 PolarHBondContact O-N 3.31Å; V10-S13 VanDerWaalsContact O-N 3.16Å; S13-I16 PolarHBondContact O-N 3.39Å; S13-L17 PolarHBondContact O-N 3.34Å; S13-I70 VanDerWaalsContact OG-CA 3.26Å; S13-I70 WeakPolarHBondContact OG-CA 3.49Å; S13-I70 WeakPolarHBondContact OG-CB 3.49Å; S13-I70 WeakPolarHBondContact OG-CG1 3.46Å |
| 14 | W | 89.3 | Confident | 82.6 | Confident | 58 Ų | 58 | 71.8 Ų | 71.8 | 22% | 0.22 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.2 | -47.9 | 172.2 | 178.1 | -78.1 | 0 | 0 | 0 | 111.4 | V10 S11 L12 I16 L17 E18 N59 F62 L63 | V10-W14 PolarHBondContact O-N 3.06Å; S11-W14 PolarHBondContact O-N 3.41Å; L12-W14 VanDerWaalsContact C-N 3.34Å; W14-I16 VanDerWaalsContact C-N 3.26Å; W14-I16 PolarHBondContact O-N 3.1Å; W14-L17 PolarHBondContact O-N 3.06Å; W14-L17 VanDerWaalsContact O-N 3.08Å; W14-E18 PolarHBondContact NE1-OE2 3.26Å; W14-E18 VanDerWaalsContact NE1-OE2 3.08Å; W14-E18 WeakPolarHBondContact O-CB 3.48Å; W14-E18 PolarHBondContact O-N 3.28Å; W14-N59 WeakPolarHBondContact CH2-OD1 3.4Å; W14-N59 VanDerWaalsContact CZ3-OD1 3.32Å; W14-N59 WeakPolarHBondContact CZ3-OD1 3.37Å; W14-F62 HydrophobicContact CB-CD1 4.37Å; W14-F62 HydrophobicContact CB-CE1 4.3Å; W14-F62 HydrophobicContact CE3-CB 3.27Å; W14-F62 AromaticContact CE3-CD1 3.95Å; W14-F62 HydrophobicContact CE3-CD1 3.95Å; W14-F62 HydrophobicContact CE3-CD2 4.11Å; W14-F62 AromaticContact CE3-CG 3.55Å; W14-F62 HydrophobicContact CE3-CG 3.55Å; W14-F62 HydrophobicContact CZ3-CB 3.27Å; W14-F62 HydrophobicContact CZ3-CG 4.04Å; W14-L63 HydrophobicContact CH2-CD2 3.66Å; W14-L63 HydrophobicContact CH2-CG 4.13Å; W14-L63 HydrophobicContact CZ3-CD2 4.03Å; W14-L63 HydrophobicContact CZ3-CG 4.25Å |
| 15 | E | 89.8 | Confident | 84.3 | Confident | 125 Ų | 125 | 71.2 Ų | 71.2 | 58% | 0.584 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -58.6 | -39.1 | 178.6 | -171.8 | -174.6 | 170.2 | 0 | 0 | 111.8 | S11 L12 S19 | S11-E15 PolarHBondContact O-N 3.11Å; L12-E15 PolarHBondContact O-N 3.49Å; E15-S19 VanDerWaalsContact O-CB 3.27Å; E15-S19 WeakPolarHBondContact O-CB 3.45Å; E15-S19 PolarHBondContact O-N 2.96Å |
| 16 | I | 90.7 | Very high | 85.9 | Confident | 12 Ų | 12 | 64.4 Ų | 64.4 | 6% | 0.062 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63 | -48.8 | 173.8 | -66.6 | 167.3 | 0 | 0 | 0 | 110.6 | L12 S13 W14 S19 L20 I70 F73 L105 K108 L109 L112 | L12-I16 WeakPolarHBondContact O-CG1 3.42Å; L12-I16 PolarHBondContact O-N 3.06Å; S13-I16 PolarHBondContact O-N 3.39Å; W14-I16 VanDerWaalsContact C-N 3.26Å; W14-I16 PolarHBondContact O-N 3.1Å; I16-S19 PolarHBondContact O-N 3.44Å; I16-L20 HydrophobicContact CG2-CD1 3.92Å; I16-L20 VanDerWaalsContact O-CG 3.26Å; I16-L20 WeakPolarHBondContact O-CG 3.41Å; I16-L20 PolarHBondContact O-N 3.39Å; I16-I70 HydrophobicContact CD1-CD1 4.14Å; I16-F73 HydrophobicContact CB-CE1 4.33Å; I16-F73 HydrophobicContact CG2-CE1 3.98Å; I16-F73 HydrophobicContact CG2-CZ 4.1Å; I16-L105 HydrophobicContact CG2-CD1 3.83Å; I16-K108 HydrophobicContact CG1-CB 4.36Å; I16-K108 HydrophobicContact CG2-CB 4.26Å; I16-L109 HydrophobicContact CD1-CD2 4.33Å; I16-L112 HydrophobicContact CD1-CD1 4.04Å; I16-L112 HydrophobicContact CD1-CD2 4.37Å |
| 17 | L | 91 | Very high | 86.9 | Confident | 3 Ų | 3 | 62.3 Ų | 62.3 | 2% | 0.016 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.7 | -46.9 | 178.6 | 178.2 | 62.4 | 0 | 0 | 0 | 111.3 | S13 W14 S19 L20 M21 L55 M58 N59 F62 F73 | S13-L17 PolarHBondContact O-N 3.34Å; W14-L17 PolarHBondContact O-N 3.06Å; W14-L17 VanDerWaalsContact O-N 3.08Å; L17-S19 VanDerWaalsContact C-N 3.34Å; L17-S19 PolarHBondContact O-N 3.36Å; L17-L20 PolarHBondContact O-N 2.86Å; L17-L20 VanDerWaalsContact O-N 3.1Å; L17-M21 HydrophobicContact CD1-CG 4.05Å; L17-M21 HydrophobicContact CD1-SD 3.84Å; L17-M21 HydrophobicContact CD2-SD 4.22Å; L17-M21 HydrophobicContact CG-CG 4.35Å; L17-M21 HydrophobicContact CG-SD 3.77Å; L17-M21 WeakPolarHBondContact O-CB 3.44Å; L17-M21 WeakPolarHBondContact O-CG 3.47Å; L17-M21 PolarHBondContact O-N 2.91Å; L17-L55 HydrophobicContact CD1-CD2 3.77Å; L17-M58 HydrophobicContact CD1-CE 4.47Å; L17-M58 HydrophobicContact CD2-CB 4.11Å; L17-N59 HydrophobicContact CD2-CB 4.21Å; L17-F62 HydrophobicContact CB-CE2 4.25Å; L17-F62 HydrophobicContact CD2-CD2 3.56Å; L17-F62 HydrophobicContact CD2-CE2 3.57Å; L17-F73 HydrophobicContact CB-CE2 3.99Å; L17-F73 HydrophobicContact CB-CZ 4.23Å; L17-F73 HydrophobicContact CD1-CE2 4.21Å |
| 18 | E | 89.2 | Confident | 87.4 | Confident | 117 Ų | 117 | 59.4 Ų | 59.4 | 55% | 0.547 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 178.6 | -174 | 171.1 | -173.9 | 0 | 0 | 111.4 | W14 L20 M21 S22 | W14-E18 PolarHBondContact NE1-OE2 3.26Å; W14-E18 VanDerWaalsContact NE1-OE2 3.08Å; W14-E18 WeakPolarHBondContact O-CB 3.48Å; W14-E18 PolarHBondContact O-N 3.28Å; E18-L20 VanDerWaalsContact C-N 3.3Å; E18-L20 PolarHBondContact O-N 3.38Å; E18-M21 PolarHBondContact O-N 2.61Å; E18-S22 PolarHBondContact O-N 3.17Å |
| 19 | S | 89.3 | Confident | 87.5 | Confident | 26 Ų | 26 | 55 Ų | 55 | 18% | 0.182 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.6 | -42 | 173 | -178.2 | 0 | 0 | 0 | 0 | 111.6 | E15 I16 L17 S22 H25 K108 | E15-S19 VanDerWaalsContact O-CB 3.27Å; E15-S19 WeakPolarHBondContact O-CB 3.45Å; E15-S19 PolarHBondContact O-N 2.96Å; I16-S19 PolarHBondContact O-N 3.44Å; L17-S19 VanDerWaalsContact C-N 3.34Å; L17-S19 PolarHBondContact O-N 3.36Å; S19-S22 WeakPolarHBondContact O-CB 3.33Å; S19-S22 PolarHBondContact O-N 3.23Å; S19-S22 PolarHBondContact O-OG 2.94Å; S19-H25 PolarHBondContact O-CD2 2.96Å; S19-K108 WeakPolarHBondContact OG-CE 3.34Å; S19-K108 PolarHBondContact OG-NZ 3.03Å; S19-K108 VanDerWaalsContact OG-NZ 3.15Å |
| 20 | L | 88.8 | Confident | 87.3 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -72.9 | -32.8 | 179.6 | -68 | 170.7 | 0 | 0 | 0 | 112.6 | I16 L17 E18 S22 N29 F77 L104 L105 | I16-L20 HydrophobicContact CG2-CD1 3.92Å; I16-L20 VanDerWaalsContact O-CG 3.26Å; I16-L20 WeakPolarHBondContact O-CG 3.41Å; I16-L20 PolarHBondContact O-N 3.39Å; L17-L20 PolarHBondContact O-N 2.86Å; L17-L20 VanDerWaalsContact O-N 3.1Å; E18-L20 VanDerWaalsContact C-N 3.3Å; E18-L20 PolarHBondContact O-N 3.38Å; L20-S22 VanDerWaalsContact C-N 3.32Å; L20-N29 PolarHBondContact O-ND2 2.6Å; L20-F77 HydrophobicContact CD1-CD2 4.4Å; L20-F77 HydrophobicContact CD1-CE2 3.55Å; L20-F77 HydrophobicContact CD1-CZ 3.82Å; L20-L104 HydrophobicContact CD2-CB 3.62Å; L20-L104 HydrophobicContact CD2-CD1 4.42Å; L20-L105 HydrophobicContact CD1-CB 4.43Å; L20-L105 HydrophobicContact CD1-CD1 4.19Å |
| 21 | M | 87.4 | Confident | 86.9 | Confident | 49 Ų | 49 | 60.7 Ų | 60.7 | 24% | 0.241 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -79.3 | -13.8 | 175.2 | -69.5 | 179.4 | 67.9 | 0 | 0 | 113.4 | L17 E18 N29 M33 L55 N59 | L17-M21 HydrophobicContact CD1-CG 4.05Å; L17-M21 HydrophobicContact CD1-SD 3.84Å; L17-M21 HydrophobicContact CD2-SD 4.22Å; L17-M21 HydrophobicContact CG-CG 4.35Å; L17-M21 HydrophobicContact CG-SD 3.77Å; L17-M21 WeakPolarHBondContact O-CB 3.44Å; L17-M21 WeakPolarHBondContact O-CG 3.47Å; L17-M21 PolarHBondContact O-N 2.91Å; E18-M21 PolarHBondContact O-N 2.61Å; M21-N29 VanDerWaalsContact C-ND2 3.29Å; M21-N29 PolarHBondContact O-ND2 3.31Å; M21-N29 VanDerWaalsContact O-ND2 3.15Å; M21-M33 HydrophobicContact CB-CE 4.23Å; M21-M33 HydrophobicContact CE-SD 4.04Å; M21-M33 HydrophobicContact CG-CE 4.34Å; M21-L55 HydrophobicContact CG-CB 4.17Å; M21-L55 HydrophobicContact CG-CD1 4.32Å; M21-L55 HydrophobicContact CG-CD2 4.5Å; M21-L55 HydrophobicContact SD-CB 4.3Å; M21-N59 HydrophobicContact CE-CB 4.45Å; M21-N59 HydrophobicContact SD-CB 4.31Å |
| 22 | S | 88 | Confident | 86.8 | Confident | 33 Ų | 33 | 59.3 Ų | 59.3 | 23% | 0.231 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -59.6 | 158.9 | -177.6 | 78.3 | 0 | 0 | 0 | 0 | 113.6 | E18 S19 L20 Q24 H25 N29 | E18-S22 PolarHBondContact O-N 3.17Å; S19-S22 WeakPolarHBondContact O-CB 3.33Å; S19-S22 PolarHBondContact O-N 3.23Å; S19-S22 PolarHBondContact O-OG 2.94Å; L20-S22 VanDerWaalsContact C-N 3.32Å; S22-Q24 PolarHBondContact O-N 2.89Å; S22-Q24 VanDerWaalsContact O-N 3.07Å; S22-H25 PolarHBondContact O-N 3.2Å; S22-N29 PolarHBondContact O-ND2 3.08Å |
| 23 | R | 84.7 | Confident | 86.4 | Confident | 236 Ų | 236 | 58.8 Ų | 58.8 | 89% | 0.891 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -60.1 | -20.3 | 177.6 | -67.2 | -177.5 | -178.8 | -179.1 | 0.6 | 113.6 | H25 A26 | R23-H25 PolarHBondContact O-N 3.06Å; R23-A26 WeakPolarHBondContact O-CB 3.32Å; R23-A26 PolarHBondContact O-N 3.27Å; R23-A26 VanDerWaalsContact O-N 3.15Å |
| 24 | Q | 86.5 | Confident | 85.8 | Confident | 150 Ų | 150 | 63.8 Ų | 63.8 | 70% | 0.701 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -62.2 | -27.9 | 176.4 | -60.3 | -177.8 | -7.4 | 0 | 0 | 112.2 | S22 Q27 | S22-Q24 PolarHBondContact O-N 2.89Å; S22-Q24 VanDerWaalsContact O-N 3.07Å; Q24-Q27 PolarHBondContact O-NE2 3.1Å; Q24-Q27 VanDerWaalsContact O-NE2 3.15Å |
| 25 | H | 85.8 | Confident | 84.6 | Confident | 27 Ų | 27 | 63.9 Ų | 63.9 | 13% | 0.125 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -110.4 | 16 | 178.4 | -57.2 | -45.5 | 0 | 0 | 0 | 112.8 | S19 S22 R23 Q27 V28 N29 | S19-H25 PolarHBondContact O-CD2 2.96Å; S22-H25 PolarHBondContact O-N 3.2Å; R23-H25 PolarHBondContact O-N 3.06Å; H25-Q27 PolarHBondContact O-N 3.38Å; H25-V28 HydrophobicContact CB-CG2 4Å; H25-V28 WeakPolarHBondContact O-CG2 3.49Å; H25-V28 PolarHBondContact O-N 3.26Å; H25-N29 PolarHBondContact O-N 2.83Å; H25-N29 PolarHBondContact O-ND2 3.24Å; H25-N29 PolarHBondContact O-OD1 3.47Å |
| 26 | A | 85.1 | Confident | 83.4 | Confident | 44 Ų | 44 | 62 Ų | 62 | 36% | 0.364 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -49.6 | -37.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R23 V28 N29 Y30 | R23-A26 WeakPolarHBondContact O-CB 3.32Å; R23-A26 PolarHBondContact O-N 3.27Å; R23-A26 VanDerWaalsContact O-N 3.15Å; A26-V28 PolarHBondContact O-N 3.02Å; A26-N29 WeakPolarHBondContact CA-OD1 3.43Å; A26-N29 PolarHBondContact O-OD1 3.38Å; A26-Y30 WeakPolarHBondContact O-CD1 3.46Å |
| 27 | Q | 82.5 | Confident | 81.6 | Confident | 111 Ų | 111 | 69.7 Ų | 69.7 | 52% | 0.519 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.3 | -16.1 | -179.7 | 66.5 | -93.6 | -34.4 | 0 | 0 | 115.3 | Q24 H25 Y30 | Q24-Q27 PolarHBondContact O-NE2 3.1Å; Q24-Q27 VanDerWaalsContact O-NE2 3.15Å; H25-Q27 PolarHBondContact O-N 3.38Å; Q27-Y30 WeakPolarHBondContact O-CE1 3.5Å |
| 28 | V | 84.5 | Confident | 79.5 | Confident | 7 Ų | 7 | 74.8 Ų | 74.8 | 4% | 0.042 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -118.3 | -36.6 | -179.7 | -71.6 | 0 | 0 | 0 | 0 | 112.3 | H25 A26 F32 C97 K100 L101 | H25-V28 HydrophobicContact CB-CG2 4Å; H25-V28 WeakPolarHBondContact O-CG2 3.49Å; H25-V28 PolarHBondContact O-N 3.26Å; A26-V28 PolarHBondContact O-N 3.02Å; V28-F32 VanDerWaalsContact O-CD2 3.3Å; V28-F32 WeakPolarHBondContact O-CD2 3.29Å; V28-F32 WeakPolarHBondContact O-CE2 3.38Å; V28-C97 HydrophobicContact CB-CB 4.39Å; V28-C97 HydrophobicContact CG1-CB 4.29Å; V28-K100 HydrophobicContact CG1-CB 4.23Å; V28-K100 HydrophobicContact CG1-CD 3.87Å; V28-K100 HydrophobicContact CG1-CG 4.22Å; V28-L101 HydrophobicContact CB-CG 4.41Å; V28-L101 HydrophobicContact CG2-CD2 3.92Å; V28-L101 HydrophobicContact CG2-CG 4.23Å |
| 29 | N | 84.5 | Confident | 77.6 | Confident | 6 Ų | 6 | 75.2 Ų | 75.2 | 3% | 0.032 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -76 | -25.3 | -173.2 | 69.1 | 14.2 | 0 | 0 | 0 | 113.4 | L20 M21 S22 H25 A26 L31 F32 M33 L55 L101 | L20-N29 PolarHBondContact O-ND2 2.6Å; M21-N29 VanDerWaalsContact C-ND2 3.29Å; M21-N29 PolarHBondContact O-ND2 3.31Å; M21-N29 VanDerWaalsContact O-ND2 3.15Å; S22-N29 PolarHBondContact O-ND2 3.08Å; H25-N29 PolarHBondContact O-N 2.83Å; H25-N29 PolarHBondContact O-ND2 3.24Å; H25-N29 PolarHBondContact O-OD1 3.47Å; A26-N29 WeakPolarHBondContact CA-OD1 3.43Å; A26-N29 PolarHBondContact O-OD1 3.38Å; N29-L31 PolarHBondContact O-N 3.37Å; N29-L31 VanDerWaalsContact O-N 3.07Å; N29-F32 PolarHBondContact O-N 3.49Å; N29-M33 HydrophobicContact CB-CE 3.77Å; N29-M33 PolarHBondContact O-N 3.31Å; N29-M33 WeakPolarHBondContact OD1-CE 3.42Å; N29-L55 HydrophobicContact CB-CD1 3.97Å; N29-L101 HydrophobicContact CB-CD2 4.42Å |
| 30 | Y | 83.6 | Confident | 75.2 | Confident | 110 Ų | 110 | 83.8 Ų | 83.8 | 43% | 0.431 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -58.7 | -27.4 | -175.7 | 80.5 | -82.3 | 0 | 0 | 0 | 113.7 | A26 Q27 F32 R93 | A26-Y30 WeakPolarHBondContact O-CD1 3.46Å; Q27-Y30 WeakPolarHBondContact O-CE1 3.5Å; Y30-F32 VanDerWaalsContact C-N 3.29Å; Y30-F32 PolarHBondContact O-N 3.18Å; Y30-R93 PolarHBondContact OH-NH2 3.07Å |
| 31 | L | 79.8 | Confident | 72.8 | Confident | 66 Ų | 66 | 86 Ų | 86 | 35% | 0.346 | 44% | 0.442 | S | S | . | . | G | 310 helix | trans | -78.6 | -11.6 | 178.8 | -64.2 | 168.4 | 0 | 0 | 0 | 113.9 | N29 I94 C97 | N29-L31 PolarHBondContact O-N 3.37Å; N29-L31 VanDerWaalsContact O-N 3.07Å; L31-I94 HydrophobicContact CB-CD1 3.32Å; L31-I94 HydrophobicContact CD1-CD1 3.47Å; L31-I94 VanDerWaalsContact CD1-CD1 3.47Å; L31-I94 HydrophobicContact CD2-CD1 4.45Å; L31-I94 HydrophobicContact CG-CD1 3.89Å; L31-C97 HydrophobicContact CD1-CB 4.17Å |
| 32 | F | 83.9 | Confident | 70.6 | Confident | 11 Ų | 11 | 91.5 Ų | 91.5 | 5% | 0.048 | 47% | 0.472 | C | S | . | . | G | 310 helix | trans | -117.2 | 7.3 | -177.5 | -55.5 | -91.5 | 0 | 0 | 0 | 111.9 | V28 N29 Y30 L55 M80 C84 I94 C97 A98 L101 | V28-F32 VanDerWaalsContact O-CD2 3.3Å; V28-F32 WeakPolarHBondContact O-CD2 3.29Å; V28-F32 WeakPolarHBondContact O-CE2 3.38Å; N29-F32 PolarHBondContact O-N 3.49Å; Y30-F32 VanDerWaalsContact C-N 3.29Å; Y30-F32 PolarHBondContact O-N 3.18Å; F32-L55 HydrophobicContact CB-CD1 3.86Å; F32-L55 HydrophobicContact CB-CG 4.02Å; F32-L55 WeakPolarHBondContact O-CB 3.23Å; F32-L55 WeakPolarHBondContact O-CG 3.47Å; F32-L55 PolarHBondContact O-N 3.49Å; F32-M80 HydrophobicContact CB-CE 4.47Å; F32-M80 HydrophobicContact CB-SD 3.93Å; F32-M80 HydrophobicContact CD1-CE 4.46Å; F32-M80 HydrophobicContact CD1-CG 4.21Å; F32-M80 HydrophobicContact CD1-SD 4.23Å; F32-M80 HydrophobicContact CG-SD 4.46Å; F32-C84 HydrophobicContact CE1-CB 3.83Å; F32-I94 HydrophobicContact CE1-CD1 4.12Å; F32-I94 HydrophobicContact CE2-CD1 3.87Å; F32-I94 HydrophobicContact CZ-CD1 3.55Å; F32-I94 HydrophobicContact CZ-CG1 4.21Å; F32-C97 HydrophobicContact CE2-CB 3.98Å; F32-C97 HydrophobicContact CZ-CB 4.4Å; F32-A98 HydrophobicContact CE1-CB 4.05Å; F32-A98 HydrophobicContact CZ-CB 3.67Å; F32-L101 HydrophobicContact CB-CD1 4.44Å; F32-L101 HydrophobicContact CD1-CD1 4.5Å; F32-L101 HydrophobicContact CD2-CD1 3.27Å; F32-L101 HydrophobicContact CE2-CD1 3.51Å; F32-L101 HydrophobicContact CG-CD1 3.83Å; F32-L101 HydrophobicContact CZ-CD1 4.23Å |
| 33 | M | 80.9 | Confident | 68.4 | Low | 44 Ų | 44 | 95.4 Ų | 95.4 | 22% | 0.217 | 49% | 0.491 | C | S | . | . | S | Bend | trans | -68.2 | -56.1 | -179 | -73.3 | -63.6 | 172.3 | 0 | 0 | 110.8 | M21 N29 L55 K56 | M21-M33 HydrophobicContact CB-CE 4.23Å; M21-M33 HydrophobicContact CE-SD 4.04Å; M21-M33 HydrophobicContact CG-CE 4.34Å; N29-M33 HydrophobicContact CB-CE 3.77Å; N29-M33 PolarHBondContact O-N 3.31Å; N29-M33 WeakPolarHBondContact OD1-CE 3.42Å; M33-L55 HydrophobicContact CE-CD1 4.2Å; M33-L55 HydrophobicContact SD-CB 4.33Å; M33-L55 HydrophobicContact SD-CD1 4.2Å; M33-K56 WeakPolarHBondContact O-CB 3.26Å; M33-K56 PolarHBondContact O-N 3.06Å; M33-K56 VanDerWaalsContact O-N 3.1Å |
| 34 | D | 75.7 | Confident | 66.5 | Low | 105 Ų | 105 | 92.3 Ų | 92.3 | 56% | 0.561 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -94.3 | 155.5 | 179.9 | -65 | -52.9 | 0 | 0 | 0 | 111.4 | K56 | D34-K56 IonicContact OD1-NZ 2.65Š|
| 35 | D | 65.5 | Low | 64.4 | Low | 60 Ų | 60 | 91.2 Ų | 91.2 | 32% | 0.321 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 137.3 | 173.3 | -76.9 | -10.3 | 0 | 0 | 0 | 109.2 | E37 S54 R57 | D35-E37 PolarHBondContact O-N 3.34Å; D35-S54 WeakPolarHBondContact OD1-CB 3.39Å; D35-S54 PolarHBondContact OD1-OG 3.42Å; D35-R57 IonicContact OD2-NH1 3.6Å; D35-R57 PolarHBondContact OD2-NH1 2.79Å |
| 36 | P | 64.2 | Low | 62.3 | Low | 84 Ų | 84 | 96.4 Ų | 96.4 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 130.1 | 179.7 | 23 | -31.8 | 0 | 0 | 0 | 109.4 | ||
| 37 | E | 51.9 | Low | 60.3 | Low | 175 Ų | 175 | 102.5 Ų | 102.5 | 82% | 0.818 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -54.5 | 135.7 | 176.5 | -76.8 | -172.1 | 168 | 0 | 0 | 109.6 | D35 V39 | D35-E37 PolarHBondContact O-N 3.34Å; E37-V39 PolarHBondContact O-N 3.28Å |
| 38 | P | 48.8 | Very low | 58.9 | Low | 110 Ų | 110 | 99.5 Ų | 99.5 | 71% | 0.714 | 53% | 0.529 | S | S | * | . | trans | -59.5 | 114.2 | 173.1 | 24.4 | -31.4 | 0 | 0 | 0 | 107.5 | K40 | P38-K40 PolarHBondContact O-N 3.31Š| ||
| 39 | V | 48.1 | Very low | 57.2 | Low | 126 Ų | 126 | 103.2 Ų | 103.2 | 76% | 0.764 | 56% | 0.56 | S | S | * | * | trans | -57.5 | 105.4 | -178 | 178.4 | 0 | 0 | 0 | 0 | 108.4 | E37 G41 | E37-V39 PolarHBondContact O-N 3.28Å; V39-G41 PolarHBondContact O-N 3.48Å | ||
| 40 | K | 39.3 | Very low | 56 | Low | 206 Ų | 206 | 105.2 Ų | 105.2 | 90% | 0.896 | 57% | 0.572 | S | S | * | * | trans | -77.7 | 64.8 | 168.9 | -68.8 | -179.4 | 179.7 | 175 | 0 | 108.7 | P38 | P38-K40 PolarHBondContact O-N 3.31Š| ||
| 41 | G | 37.7 | Very low | 55.3 | Low | 46 Ų | 46 | 102.3 Ų | 102.3 | 47% | 0.474 | 57% | 0.566 | S | S | . | * | trans | -117.2 | 124.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V39 N43 | V39-G41 PolarHBondContact O-N 3.48Å; G41-N43 PolarHBondContact O-N 3.18Å | ||
| 42 | N | 40.9 | Very low | 55.1 | Low | 164 Ų | 164 | 101.8 Ų | 101.8 | 88% | 0.877 | 57% | 0.566 | S | S | * | * | trans | -69.2 | 30.2 | -174.3 | -61.6 | -18 | 0 | 0 | 0 | 115.5 | ||||
| 43 | N | 43.1 | Very low | 55.2 | Low | 116 Ų | 116 | 101.7 Ų | 101.7 | 62% | 0.62 | 57% | 0.567 | S | S | * | * | trans | -105.2 | 126.3 | 179.1 | -68.5 | -4.9 | 0 | 0 | 0 | 108.6 | G41 N45 | G41-N43 PolarHBondContact O-N 3.18Å; N43-N45 HydrophobicContact CB-CB 4.14Å; N43-N45 PolarHBondContact O-N 3.17Å | ||
| 44 | D | 44.7 | Very low | 55.5 | Low | 171 Ų | 171 | 99.8 Ų | 99.8 | 91% | 0.914 | 56% | 0.557 | S | S | * | * | trans | -58.1 | 15.8 | 168.6 | -54.7 | -43.9 | 0 | 0 | 0 | 113.8 | K46 | D44-K46 PolarHBondContact O-N 3Š| ||
| 45 | N | 42.1 | Very low | 56.1 | Low | 126 Ų | 126 | 94.8 Ų | 94.8 | 67% | 0.674 | 53% | 0.531 | S | S | * | . | trans | -71.5 | 81 | 173.5 | -65.9 | -11 | 0 | 0 | 0 | 108.1 | N43 | N43-N45 HydrophobicContact CB-CB 4.14Å; N43-N45 PolarHBondContact O-N 3.17Å | ||
| 46 | K | 42.5 | Very low | 57.2 | Low | 136 Ų | 136 | 96.5 Ų | 96.5 | 59% | 0.591 | 54% | 0.535 | S | S | * | . | trans | 42.9 | 109 | 151.5 | -63.9 | 169.6 | 175.8 | 174.7 | 0 | 112.9 | D44 V48 D215 | D44-K46 PolarHBondContact O-N 3Å; K46-V48 HydrophobicContact CB-CG2 3.66Å; K46-V48 WeakPolarHBondContact O-CG2 3.3Å; K46-V48 PolarHBondContact O-N 3.41Å; K46-D215 IonicContact NZ-OD2 3.64Å; K46-D215 PolarHBondContact NZ-OD2 3.13Å | ||
| 47 | N | 43.3 | Very low | 58.3 | Low | 173 Ų | 173 | 97.1 Ų | 97.1 | 93% | 0.925 | 53% | 0.527 | S | S | * | . | trans | -54.6 | 78.3 | 163.4 | -168.4 | 12.5 | 0 | 0 | 0 | 110.3 | A49 | N47-A49 PolarHBondContact O-N 2.95Š| ||
| 48 | V | 51.7 | Low | 60 | Low | 48 Ų | 48 | 88.8 Ų | 88.8 | 29% | 0.291 | 49% | 0.488 | S | S | . | . | trans | -88.5 | 108.6 | -172.2 | 167.4 | 0 | 0 | 0 | 0 | 106.2 | K46 T50 | K46-V48 HydrophobicContact CB-CG2 3.66Å; K46-V48 WeakPolarHBondContact O-CG2 3.3Å; K46-V48 PolarHBondContact O-N 3.41Å; V48-T50 HydrophobicContact CG1-CG2 4.17Å; V48-T50 PolarHBondContact O-N 3.33Å | ||
| 49 | A | 49.6 | Very low | 62 | Low | 85 Ų | 85 | 85.6 Ų | 85.6 | 70% | 0.702 | 47% | 0.465 | S | S | * | . | trans | -55 | 104.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | N47 | N47-A49 PolarHBondContact O-N 2.95Š| ||
| 50 | T | 59.5 | Low | 63.9 | Low | 47 Ų | 47 | 83.9 Ų | 83.9 | 29% | 0.288 | 45% | 0.448 | S | S | . | . | trans | -109.8 | 125.6 | 169.3 | 49.6 | 0 | 0 | 0 | 0 | 106.5 | V48 P52 H87 | V48-T50 HydrophobicContact CG1-CG2 4.17Å; V48-T50 PolarHBondContact O-N 3.33Å; T50-P52 WeakPolarHBondContact O-CD 3.37Å; T50-H87 WeakPolarHBondContact CG2-CE1 3.46Å; T50-H87 WeakPolarHBondContact CG2-NE2 3.35Å | ||
| 51 | V | 67.6 | Low | 66.2 | Low | 49 Ų | 49 | 75 Ų | 75 | 30% | 0.297 | 41% | 0.41 | S | S | . | . | trans | -77.2 | 108.4 | 174.5 | 177.2 | 0 | 0 | 0 | 0 | 105.6 | I53 L79 N83 | V51-I53 PolarHBondContact O-N 3.39Å; V51-L79 HydrophobicContact CB-CD2 4.12Å; V51-L79 HydrophobicContact CG1-CD2 4.17Å; V51-N83 PolarHBondContact O-ND2 2.96Å | ||
| 52 | P | 76.7 | Confident | 68.5 | Low | 55 Ų | 55 | 73 Ų | 73 | 36% | 0.357 | 39% | 0.388 | S | S | . | . | trans | -67 | 123.2 | -176 | 28.1 | -33.4 | 0 | 0 | 0 | 109.1 | T50 R57 | T50-P52 WeakPolarHBondContact O-CD 3.37Å; P52-R57 WeakPolarHBondContact O-CD 3.15Å; P52-R57 PolarHBondContact O-NE 2.94Å | ||
| 53 | I | 84.8 | Confident | 70.7 | Confident | 10 Ų | 10 | 69.4 Ų | 69.4 | 5% | 0.051 | 37% | 0.368 | C | S | . | . | trans | -141.7 | 135.2 | 176.6 | -171.8 | 65.6 | 0 | 0 | 0 | 108.9 | V51 R57 M58 K61 D76 L79 M80 | V51-I53 PolarHBondContact O-N 3.39Å; I53-R57 HydrophobicContact CD1-CB 4.23Å; I53-R57 HydrophobicContact CD1-CG 4.15Å; I53-M58 HydrophobicContact CD1-CG 3.75Å; I53-M58 HydrophobicContact CG1-CG 4.04Å; I53-K61 HydrophobicContact CD1-CD 4.49Å; I53-D76 HydrophobicContact CD1-CB 4.2Å; I53-D76 HydrophobicContact CG1-CB 4.04Å; I53-L79 HydrophobicContact CG2-CB 4.14Å; I53-L79 HydrophobicContact CG2-CD2 4.22Å; I53-L79 HydrophobicContact CG2-CG 3.89Å; I53-M80 VanDerWaalsContact CG2-CA 3.48Å; I53-M80 HydrophobicContact CG2-CB 3.77Å; I53-M80 VanDerWaalsContact CG2-N 3.35Å | ||
| 54 | S | 87.6 | Confident | 72.6 | Confident | 3 Ų | 3 | 70 Ų | 70 | 2% | 0.021 | 37% | 0.372 | C | S | . | . | trans | -139.7 | 167.9 | -178.4 | 60.7 | 0 | 0 | 0 | 0 | 110.4 | D35 K56 R57 M58 | D35-S54 WeakPolarHBondContact OD1-CB 3.39Å; D35-S54 PolarHBondContact OD1-OG 3.42Å; S54-K56 VanDerWaalsContact C-N 3.29Å; S54-K56 PolarHBondContact O-N 3.4Å; S54-R57 PolarHBondContact O-N 3.03Å; S54-R57 WeakPolarHBondContact OG-CB 3.43Å; S54-R57 PolarHBondContact OG-N 3.47Å; S54-R57 VanDerWaalsContact OG-N 3.15Å; S54-M58 WeakPolarHBondContact O-CG 3.36Å; S54-M58 PolarHBondContact O-N 3Å | ||
| 55 | L | 89.1 | Confident | 74.4 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.7 | -40.2 | 175.6 | -67 | 172.1 | 0 | 0 | 0 | 111.5 | L17 M21 N29 F32 M33 M58 N59 F77 M80 | L17-L55 HydrophobicContact CD1-CD2 3.77Å; M21-L55 HydrophobicContact CG-CB 4.17Å; M21-L55 HydrophobicContact CG-CD1 4.32Å; M21-L55 HydrophobicContact CG-CD2 4.5Å; M21-L55 HydrophobicContact SD-CB 4.3Å; N29-L55 HydrophobicContact CB-CD1 3.97Å; F32-L55 HydrophobicContact CB-CD1 3.86Å; F32-L55 HydrophobicContact CB-CG 4.02Å; F32-L55 WeakPolarHBondContact O-CB 3.23Å; F32-L55 WeakPolarHBondContact O-CG 3.47Å; F32-L55 PolarHBondContact O-N 3.49Å; M33-L55 HydrophobicContact CE-CD1 4.2Å; M33-L55 HydrophobicContact SD-CB 4.33Å; M33-L55 HydrophobicContact SD-CD1 4.2Å; L55-M58 HydrophobicContact CD2-CE 3.74Å; L55-M58 HydrophobicContact CG-CE 4.47Å; L55-M58 PolarHBondContact O-N 3.11Å; L55-N59 PolarHBondContact O-N 2.98Å; L55-F77 HydrophobicContact CD2-CD2 4.41Å; L55-F77 HydrophobicContact CD2-CE2 3.9Å; L55-M80 HydrophobicContact CD2-CE 3.88Å; L55-M80 HydrophobicContact CD2-SD 4.16Å; L55-M80 HydrophobicContact CG-CE 4.24Å; L55-M80 HydrophobicContact CG-SD 3.98Å |
| 56 | K | 87.2 | Confident | 76.4 | Confident | 97 Ų | 97 | 60.2 Ų | 60.2 | 42% | 0.422 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.9 | -44 | 176.3 | -178.1 | -176.2 | 177.9 | -174.5 | 0 | 111.8 | M33 D34 S54 M58 N59 E60 | M33-K56 WeakPolarHBondContact O-CB 3.26Å; M33-K56 PolarHBondContact O-N 3.06Å; M33-K56 VanDerWaalsContact O-N 3.1Å; D34-K56 IonicContact OD1-NZ 2.65Å; S54-K56 VanDerWaalsContact C-N 3.29Å; S54-K56 PolarHBondContact O-N 3.4Å; K56-M58 VanDerWaalsContact C-N 3.31Å; K56-M58 PolarHBondContact O-N 3.48Å; K56-N59 WeakPolarHBondContact O-CA 3.44Å; K56-N59 VanDerWaalsContact O-CB 3.29Å; K56-N59 WeakPolarHBondContact O-CB 3.47Å; K56-N59 PolarHBondContact O-N 2.95Å; K56-E60 WeakPolarHBondContact CE-OE1 3.19Å; K56-E60 WeakPolarHBondContact O-CG 3.48Å; K56-E60 PolarHBondContact O-N 3.27Å |
| 57 | R | 87.3 | Confident | 78.5 | Confident | 97 Ų | 97 | 54.1 Ų | 54.1 | 37% | 0.366 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64 | -37.4 | 177.3 | -168 | 174.3 | -174 | 126.8 | -1.2 | 111.9 | D35 P52 I53 S54 N59 E60 K61 | D35-R57 IonicContact OD2-NH1 3.6Å; D35-R57 PolarHBondContact OD2-NH1 2.79Å; P52-R57 WeakPolarHBondContact O-CD 3.15Å; P52-R57 PolarHBondContact O-NE 2.94Å; I53-R57 HydrophobicContact CD1-CB 4.23Å; I53-R57 HydrophobicContact CD1-CG 4.15Å; S54-R57 PolarHBondContact O-N 3.03Å; S54-R57 WeakPolarHBondContact OG-CB 3.43Å; S54-R57 PolarHBondContact OG-N 3.47Å; S54-R57 VanDerWaalsContact OG-N 3.15Å; R57-N59 VanDerWaalsContact C-N 3.34Å; R57-E60 PolarHBondContact O-N 3.17Å; R57-K61 WeakPolarHBondContact O-CB 3.33Å; R57-K61 WeakPolarHBondContact O-CG 3.13Å; R57-K61 PolarHBondContact O-N 3.09Å |
| 58 | M | 88.9 | Confident | 80.4 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 171.1 | -71.1 | -171.2 | -75.5 | 0 | 0 | 111.6 | L17 I53 S54 L55 K56 K61 F62 Y67 F73 D76 F77 M80 | L17-M58 HydrophobicContact CD1-CE 4.47Å; L17-M58 HydrophobicContact CD2-CB 4.11Å; I53-M58 HydrophobicContact CD1-CG 3.75Å; I53-M58 HydrophobicContact CG1-CG 4.04Å; S54-M58 WeakPolarHBondContact O-CG 3.36Å; S54-M58 PolarHBondContact O-N 3Å; L55-M58 HydrophobicContact CD2-CE 3.74Å; L55-M58 HydrophobicContact CG-CE 4.47Å; L55-M58 PolarHBondContact O-N 3.11Å; K56-M58 VanDerWaalsContact C-N 3.31Å; K56-M58 PolarHBondContact O-N 3.48Å; M58-K61 WeakPolarHBondContact O-CB 3.18Å; M58-K61 PolarHBondContact O-N 3.41Å; M58-F62 WeakPolarHBondContact O-CD2 3.39Å; M58-F62 PolarHBondContact O-N 2.95Å; M58-Y67 WeakPolarHBondContact CG-OH 3.49Å; M58-Y67 WeakPolarHBondContact O-CE2 3.49Å; M58-F73 HydrophobicContact SD-CD2 4.29Å; M58-F73 HydrophobicContact SD-CE2 4.22Å; M58-D76 HydrophobicContact CG-CB 4.15Å; M58-D76 HydrophobicContact SD-CB 3.93Å; M58-F77 HydrophobicContact CE-CB 4.41Å; M58-F77 HydrophobicContact CE-CD2 3.76Å; M58-F77 HydrophobicContact CE-CE2 4.5Å; M58-F77 HydrophobicContact CE-CG 4.41Å; M58-F77 HydrophobicContact SD-CB 4.07Å; M58-F77 HydrophobicContact SD-CD2 4.32Å; M58-M80 HydrophobicContact CE-CE 3.93Å; M58-M80 HydrophobicContact CE-SD 3.77Å |
| 59 | N | 90.2 | Very high | 82 | Confident | 43 Ų | 43 | 52.3 Ų | 52.3 | 23% | 0.23 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.6 | -47 | 175 | -170.8 | 14.8 | 0 | 0 | 0 | 111.9 | W14 L17 M21 L55 K56 R57 K61 F62 L63 | W14-N59 WeakPolarHBondContact CH2-OD1 3.4Å; W14-N59 VanDerWaalsContact CZ3-OD1 3.32Å; W14-N59 WeakPolarHBondContact CZ3-OD1 3.37Å; L17-N59 HydrophobicContact CD2-CB 4.21Å; M21-N59 HydrophobicContact CE-CB 4.45Å; M21-N59 HydrophobicContact SD-CB 4.31Å; L55-N59 PolarHBondContact O-N 2.98Å; K56-N59 WeakPolarHBondContact O-CA 3.44Å; K56-N59 VanDerWaalsContact O-CB 3.29Å; K56-N59 WeakPolarHBondContact O-CB 3.47Å; K56-N59 PolarHBondContact O-N 2.95Å; R57-N59 VanDerWaalsContact C-N 3.34Å; N59-K61 VanDerWaalsContact C-N 3.3Å; N59-K61 PolarHBondContact O-N 3.34Å; N59-F62 WeakPolarHBondContact O-CB 3.47Å; N59-F62 PolarHBondContact O-N 2.88Å; N59-F62 VanDerWaalsContact O-N 3.12Å; N59-L63 WeakPolarHBondContact O-CG 3.47Å; N59-L63 PolarHBondContact O-N 3.43Å |
| 60 | E | 88.3 | Confident | 83.9 | Confident | 89 Ų | 89 | 48.3 Ų | 48.3 | 42% | 0.416 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58 | -41.8 | 173.6 | -69.6 | 169.9 | -172.6 | 0 | 0 | 111.8 | K56 R57 F62 L63 N64 | K56-E60 WeakPolarHBondContact CE-OE1 3.19Å; K56-E60 WeakPolarHBondContact O-CG 3.48Å; K56-E60 PolarHBondContact O-N 3.27Å; R57-E60 PolarHBondContact O-N 3.17Å; E60-F62 VanDerWaalsContact C-N 3.32Å; E60-F62 PolarHBondContact O-N 3.08Å; E60-L63 PolarHBondContact O-N 2.98Å; E60-N64 WeakPolarHBondContact O-CB 3.11Å; E60-N64 VanDerWaalsContact O-CG 3.25Å; E60-N64 PolarHBondContact O-N 3.06Å; E60-N64 PolarHBondContact O-ND2 3.44Å |
| 61 | K | 88.1 | Confident | 85.3 | Confident | 20 Ų | 20 | 47.9 Ų | 47.9 | 9% | 0.087 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61 | -36.6 | 175.3 | -82.6 | -176.2 | 77.9 | 162.5 | 0 | 112.8 | I53 R57 M58 N59 G65 T66 Y67 D76 W228 E229 | I53-K61 HydrophobicContact CD1-CD 4.49Å; R57-K61 WeakPolarHBondContact O-CB 3.33Å; R57-K61 WeakPolarHBondContact O-CG 3.13Å; R57-K61 PolarHBondContact O-N 3.09Å; M58-K61 WeakPolarHBondContact O-CB 3.18Å; M58-K61 PolarHBondContact O-N 3.41Å; N59-K61 VanDerWaalsContact C-N 3.3Å; N59-K61 PolarHBondContact O-N 3.34Å; K61-G65 PolarHBondContact O-N 3.31Å; K61-T66 VanDerWaalsContact C-OG1 3.26Å; K61-T66 WeakPolarHBondContact CA-OG1 3.46Å; K61-T66 WeakPolarHBondContact CB-OG1 3.42Å; K61-T66 WeakPolarHBondContact O-CB 3.43Å; K61-T66 PolarHBondContact O-N 3.17Å; K61-T66 PolarHBondContact O-OG1 2.92Å; K61-Y67 HydrophobicContact CB-CD2 4.27Å; K61-Y67 HydrophobicContact CB-CE2 3.53Å; K61-D76 WeakPolarHBondContact CE-OD2 3.24Å; K61-D76 IonicContact NZ-OD2 3.06Å; K61-D76 PolarHBondContact NZ-OD2 3.41Å; K61-W228 VanDerWaalsContact NZ-CH2 3.35Å; K61-E229 IonicContact NZ-OE1 2.64Å; K61-E229 PolarHBondContact NZ-OE1 3.02Å |
| 62 | F | 86.1 | Confident | 86.4 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69.7 | -43.9 | 172.1 | -84.1 | -76.3 | 0 | 0 | 0 | 112.7 | V10 W14 L17 M58 N59 E60 N64 G65 Y67 F73 | V10-F62 HydrophobicContact CG1-CD1 3.98Å; V10-F62 HydrophobicContact CG1-CE1 4Å; W14-F62 HydrophobicContact CB-CD1 4.37Å; W14-F62 HydrophobicContact CB-CE1 4.3Å; W14-F62 HydrophobicContact CE3-CB 3.27Å; W14-F62 AromaticContact CE3-CD1 3.95Å; W14-F62 HydrophobicContact CE3-CD1 3.95Å; W14-F62 HydrophobicContact CE3-CD2 4.11Å; W14-F62 AromaticContact CE3-CG 3.55Å; W14-F62 HydrophobicContact CE3-CG 3.55Å; W14-F62 HydrophobicContact CZ3-CB 3.27Å; W14-F62 HydrophobicContact CZ3-CG 4.04Å; L17-F62 HydrophobicContact CB-CE2 4.25Å; L17-F62 HydrophobicContact CD2-CD2 3.56Å; L17-F62 HydrophobicContact CD2-CE2 3.57Å; M58-F62 WeakPolarHBondContact O-CD2 3.39Å; M58-F62 PolarHBondContact O-N 2.95Å; N59-F62 WeakPolarHBondContact O-CB 3.47Å; N59-F62 PolarHBondContact O-N 2.88Å; N59-F62 VanDerWaalsContact O-N 3.12Å; E60-F62 VanDerWaalsContact C-N 3.32Å; E60-F62 PolarHBondContact O-N 3.08Å; F62-N64 PolarHBondContact O-N 3.02Å; F62-G65 WeakPolarHBondContact O-CA 3.4Å; F62-G65 PolarHBondContact O-N 3.45Å; F62-Y67 HydrophobicContact CB-CD2 4.36Å; F62-Y67 AromaticContact CD1-CD2 3.62Å; F62-Y67 HydrophobicContact CD1-CD2 3.62Å; F62-Y67 HydrophobicContact CD1-CE2 4.4Å; F62-Y67 HydrophobicContact CD1-CG 4.5Å; F62-Y67 AromaticContact CD2-CD2 3.66Å; F62-Y67 HydrophobicContact CD2-CD2 3.66Å; F62-Y67 AromaticContact CD2-CE2 3.6Å; F62-Y67 HydrophobicContact CD2-CE2 3.6Å; F62-Y67 AromaticContact CE1-CD2 3.69Å; F62-Y67 HydrophobicContact CE1-CD2 3.69Å; F62-Y67 HydrophobicContact CE1-CE2 4.46Å; F62-Y67 HydrophobicContact CE1-CG 4.34Å; F62-Y67 AromaticContact CE2-CD2 3.72Å; F62-Y67 HydrophobicContact CE2-CD2 3.72Å; F62-Y67 AromaticContact CE2-CE2 3.65Å; F62-Y67 HydrophobicContact CE2-CE2 3.65Å; F62-Y67 AromaticContact CG-CD2 3.58Å; F62-Y67 HydrophobicContact CG-CD2 3.58Å; F62-Y67 AromaticContact CG-CE2 3.96Å; F62-Y67 HydrophobicContact CG-CE2 3.96Å; F62-Y67 AromaticContact CZ-CD2 3.72Å; F62-Y67 HydrophobicContact CZ-CD2 3.72Å; F62-Y67 HydrophobicContact CZ-CE2 4.09Å; F62-Y67 HydrophobicContact CZ-CG 4.49Å; F62-F73 AromaticContact CE2-CD2 3.69Å; F62-F73 HydrophobicContact CE2-CD2 3.69Å; F62-F73 HydrophobicContact CE2-CE2 4.25Å; F62-F73 HydrophobicContact CE2-CG 4.27Å; F62-F73 HydrophobicContact CZ-CB 3.98Å; F62-F73 AromaticContact CZ-CD2 3.81Å; F62-F73 HydrophobicContact CZ-CD2 3.81Å; F62-F73 AromaticContact CZ-CG 3.92Å; F62-F73 HydrophobicContact CZ-CG 3.92Å |
| 63 | L | 85.8 | Confident | 87.1 | Confident | 88 Ų | 88 | 44 Ų | 44 | 46% | 0.461 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.2 | -37.7 | 178.8 | -68 | 175.8 | 0 | 0 | 0 | 111.8 | M1 W14 N59 E60 G65 | M1-L63 HydrophobicContact CE-CD2 3.41Å; M1-L63 VanDerWaalsContact CE-CD2 3.41Å; W14-L63 HydrophobicContact CH2-CD2 3.66Å; W14-L63 HydrophobicContact CH2-CG 4.13Å; W14-L63 HydrophobicContact CZ3-CD2 4.03Å; W14-L63 HydrophobicContact CZ3-CG 4.25Å; N59-L63 WeakPolarHBondContact O-CG 3.47Å; N59-L63 PolarHBondContact O-N 3.43Å; E60-L63 PolarHBondContact O-N 2.98Å; L63-G65 PolarHBondContact O-N 2.88Å |
| 64 | N | 84.7 | Confident | 87.4 | Confident | 130 Ų | 130 | 43.6 Ų | 43.6 | 70% | 0.695 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -4.2 | 175.3 | -66 | -14.8 | 0 | 0 | 0 | 113.2 | E60 F62 T66 | E60-N64 WeakPolarHBondContact O-CB 3.11Å; E60-N64 VanDerWaalsContact O-CG 3.25Å; E60-N64 PolarHBondContact O-N 3.06Å; E60-N64 PolarHBondContact O-ND2 3.44Å; F62-N64 PolarHBondContact O-N 3.02Å; N64-T66 VanDerWaalsContact C-N 3.34Å; N64-T66 HydrophobicContact CB-CG2 3.99Å; N64-T66 PolarHBondContact O-N 3.36Å |
| 65 | G | 82.2 | Confident | 87.6 | Confident | 45 Ų | 45 | 43.7 Ų | 43.7 | 46% | 0.464 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 23.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | K61 F62 L63 Y67 | K61-G65 PolarHBondContact O-N 3.31Å; F62-G65 WeakPolarHBondContact O-CA 3.4Å; F62-G65 PolarHBondContact O-N 3.45Å; L63-G65 PolarHBondContact O-N 2.88Å; G65-Y67 VanDerWaalsContact C-N 3.33Å; G65-Y67 PolarHBondContact O-N 2.71Å |
| 66 | T | 83.1 | Confident | 87.6 | Confident | 46 Ų | 46 | 43.8 Ų | 43.8 | 28% | 0.282 | 22% | 0.215 | S | C | . | . | trans | -73.4 | -22.5 | -175.6 | 63.6 | 0 | 0 | 0 | 0 | 113.8 | K61 N64 | K61-T66 VanDerWaalsContact C-OG1 3.26Å; K61-T66 WeakPolarHBondContact CA-OG1 3.46Å; K61-T66 WeakPolarHBondContact CB-OG1 3.42Å; K61-T66 WeakPolarHBondContact O-CB 3.43Å; K61-T66 PolarHBondContact O-N 3.17Å; K61-T66 PolarHBondContact O-OG1 2.92Å; N64-T66 VanDerWaalsContact C-N 3.34Å; N64-T66 HydrophobicContact CB-CG2 3.99Å; N64-T66 PolarHBondContact O-N 3.36Å | ||
| 67 | Y | 87.4 | Confident | 87.9 | Confident | 7 Ų | 7 | 39.1 Ų | 39.1 | 3% | 0.027 | 20% | 0.195 | C | C | . | . | trans | -91.5 | 125.5 | 176.9 | -59.8 | -59.4 | 0 | 0 | 0 | 111.4 | V10 M58 K61 F62 G65 E72 F73 D76 W228 | V10-Y67 WeakPolarHBondContact CG2-O 3.45Å; M58-Y67 WeakPolarHBondContact CG-OH 3.49Å; M58-Y67 WeakPolarHBondContact O-CE2 3.49Å; K61-Y67 HydrophobicContact CB-CD2 4.27Å; K61-Y67 HydrophobicContact CB-CE2 3.53Å; F62-Y67 HydrophobicContact CB-CD2 4.36Å; F62-Y67 AromaticContact CD1-CD2 3.62Å; F62-Y67 HydrophobicContact CD1-CD2 3.62Å; F62-Y67 HydrophobicContact CD1-CE2 4.4Å; F62-Y67 HydrophobicContact CD1-CG 4.5Å; F62-Y67 AromaticContact CD2-CD2 3.66Å; F62-Y67 HydrophobicContact CD2-CD2 3.66Å; F62-Y67 AromaticContact CD2-CE2 3.6Å; F62-Y67 HydrophobicContact CD2-CE2 3.6Å; F62-Y67 AromaticContact CE1-CD2 3.69Å; F62-Y67 HydrophobicContact CE1-CD2 3.69Å; F62-Y67 HydrophobicContact CE1-CE2 4.46Å; F62-Y67 HydrophobicContact CE1-CG 4.34Å; F62-Y67 AromaticContact CE2-CD2 3.72Å; F62-Y67 HydrophobicContact CE2-CD2 3.72Å; F62-Y67 AromaticContact CE2-CE2 3.65Å; F62-Y67 HydrophobicContact CE2-CE2 3.65Å; F62-Y67 AromaticContact CG-CD2 3.58Å; F62-Y67 HydrophobicContact CG-CD2 3.58Å; F62-Y67 AromaticContact CG-CE2 3.96Å; F62-Y67 HydrophobicContact CG-CE2 3.96Å; F62-Y67 AromaticContact CZ-CD2 3.72Å; F62-Y67 HydrophobicContact CZ-CD2 3.72Å; F62-Y67 HydrophobicContact CZ-CE2 4.09Å; F62-Y67 HydrophobicContact CZ-CG 4.49Å; G65-Y67 VanDerWaalsContact C-N 3.33Å; G65-Y67 PolarHBondContact O-N 2.71Å; Y67-E72 WeakPolarHBondContact CA-OE2 3.48Å; Y67-E72 HydrophobicContact CD1-CB 3.72Å; Y67-E72 HydrophobicContact CE1-CB 4.32Å; Y67-F73 HydrophobicContact CD1-CB 4.5Å; Y67-D76 PolarHBondContact OH-OD2 2.9Å; Y67-D76 VanDerWaalsContact OH-OD2 3.07Å; Y67-W228 AromaticContact CD1-CH2 3.68Å; Y67-W228 HydrophobicContact CD1-CH2 3.68Å; Y67-W228 HydrophobicContact CD1-CZ2 4.07Å; Y67-W228 HydrophobicContact CD1-CZ3 4.35Å; Y67-W228 AromaticContact CE1-CH2 3.56Å; Y67-W228 HydrophobicContact CE1-CH2 3.56Å; Y67-W228 AromaticContact CE1-CZ2 3.56Å; Y67-W228 HydrophobicContact CE1-CZ2 3.56Å | ||
| 68 | R | 82.4 | Confident | 88.1 | Confident | 175 Ų | 175 | 34.5 Ų | 34.5 | 66% | 0.66 | 18% | 0.178 | S | C | * | . | trans | -94.8 | -23.2 | 174.6 | -168.8 | 178.2 | 179 | -127.3 | 0.2 | 112.9 | V10 E72 | V10-R68 VanDerWaalsContact CG2-C 3.44Å; V10-R68 VanDerWaalsContact CG2-O 3.29Å; V10-R68 WeakPolarHBondContact CG2-O 3.36Å; R68-E72 PolarHBondContact N-OE2 2.77Å | ||
| 69 | G | 86.1 | Confident | 88.2 | Confident | 9 Ų | 9 | 34.6 Ų | 34.6 | 9% | 0.093 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -162 | 175.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | R71 E72 | G69-R71 VanDerWaalsContact C-N 3.26Å; G69-R71 PolarHBondContact O-N 2.77Å; G69-E72 PolarHBondContact O-N 2.99Å |
| 70 | I | 89.4 | Confident | 88.2 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.3 | -29.6 | -171.7 | -167.1 | 160.7 | 0 | 0 | 0 | 113.7 | S13 I16 E72 F73 V74 L109 L112 I116 K119 A120 | S13-I70 VanDerWaalsContact OG-CA 3.26Å; S13-I70 WeakPolarHBondContact OG-CA 3.49Å; S13-I70 WeakPolarHBondContact OG-CB 3.49Å; S13-I70 WeakPolarHBondContact OG-CG1 3.46Å; I16-I70 HydrophobicContact CD1-CD1 4.14Å; I70-E72 VanDerWaalsContact C-N 3.29Å; I70-E72 PolarHBondContact O-N 3.42Å; I70-F73 HydrophobicContact CG1-CD1 4.39Å; I70-F73 PolarHBondContact O-N 3.48Å; I70-V74 HydrophobicContact CG1-CG2 3.92Å; I70-V74 VanDerWaalsContact O-CG2 3.27Å; I70-V74 WeakPolarHBondContact O-CG2 3.07Å; I70-V74 PolarHBondContact O-N 3.44Å; I70-L109 HydrophobicContact CD1-CD2 3.92Å; I70-L112 HydrophobicContact CD1-CD1 3.31Å; I70-I116 HydrophobicContact CB-CG2 4.29Å; I70-I116 HydrophobicContact CD1-CG2 3.82Å; I70-I116 HydrophobicContact CG2-CG2 3.68Å; I70-K119 HydrophobicContact CG2-CB 4.07Å; I70-A120 HydrophobicContact CD1-CB 4.37Å; I70-A120 HydrophobicContact CG1-CB 4.34Å; I70-A120 HydrophobicContact CG2-CB 4.33Å |
| 71 | R | 88.9 | Confident | 88.3 | Confident | 39 Ų | 39 | 28.7 Ų | 28.7 | 15% | 0.147 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -56.7 | -44.5 | -177.3 | 173.8 | 57.3 | 76.3 | -149.1 | -4.2 | 111.8 | G69 V74 C75 T118 K119 A120 S121 S124 | G69-R71 VanDerWaalsContact C-N 3.26Å; G69-R71 PolarHBondContact O-N 2.77Å; R71-V74 PolarHBondContact O-N 3.43Å; R71-C75 PolarHBondContact O-N 2.99Å; R71-C75 PolarHBondContact O-SG 3.48Å; R71-T118 PolarHBondContact NH2-O 3.12Å; R71-K119 WeakPolarHBondContact CA-O 3.26Å; R71-K119 VanDerWaalsContact CB-O 3.27Å; R71-K119 WeakPolarHBondContact CB-O 3.43Å; R71-K119 WeakPolarHBondContact CD-O 3.45Å; R71-K119 PolarHBondContact NE-O 2.75Å; R71-K119 PolarHBondContact NH1-O 3.29Å; R71-K119 VanDerWaalsContact NH1-O 3.11Å; R71-K119 PolarHBondContact NH2-O 2.75Å; R71-A120 PolarHBondContact NH1-O 3.34Å; R71-S121 PolarHBondContact NH1-O 2.92Å; R71-S121 PolarHBondContact NH2-O 3.38Å; R71-S124 VanDerWaalsContact CZ-CB 3.46Å; R71-S124 VanDerWaalsContact NE-C 3.27Å; R71-S124 PolarHBondContact NE-O 3.38Å; R71-S124 PolarHBondContact NE-OG 2.96Å; R71-S124 VanDerWaalsContact NH2-CA 3.29Å; R71-S124 PolarHBondContact NH2-OG 2.83Å |
| 72 | E | 89.4 | Confident | 88.3 | Confident | 23 Ų | 23 | 27.7 Ų | 27.7 | 11% | 0.107 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -70.5 | -45.2 | -174.8 | -62.3 | 169 | 164.7 | 0 | 0 | 110.9 | Y67 R68 G69 I70 V74 C75 D76 W228 R232 | Y67-E72 WeakPolarHBondContact CA-OE2 3.48Å; Y67-E72 HydrophobicContact CD1-CB 3.72Å; Y67-E72 HydrophobicContact CE1-CB 4.32Å; R68-E72 PolarHBondContact N-OE2 2.77Å; G69-E72 PolarHBondContact O-N 2.99Å; I70-E72 VanDerWaalsContact C-N 3.29Å; I70-E72 PolarHBondContact O-N 3.42Å; E72-V74 VanDerWaalsContact C-N 3.34Å; E72-V74 PolarHBondContact O-N 2.99Å; E72-C75 WeakPolarHBondContact O-CB 3.49Å; E72-C75 PolarHBondContact O-N 3.37Å; E72-D76 PolarHBondContact O-N 3.35Å; E72-D76 VanDerWaalsContact O-N 3.11Å; E72-W228 HydrophobicContact CB-CD2 3.7Å; E72-W228 HydrophobicContact CB-CE3 3.73Å; E72-W228 HydrophobicContact CB-CG 4.23Å; E72-W228 HydrophobicContact CB-CH2 4.17Å; E72-W228 HydrophobicContact CB-CZ2 4.16Å; E72-W228 HydrophobicContact CB-CZ3 3.97Å; E72-W228 HydrophobicContact CG-CB 4.23Å; E72-W228 HydrophobicContact CG-CD2 3.71Å; E72-W228 HydrophobicContact CG-CE3 3.52Å; E72-W228 HydrophobicContact CG-CG 4.03Å; E72-W228 HydrophobicContact CG-CZ3 4.09Å; E72-R232 IonicContact OE1-CZ 3.66Å; E72-R232 IonicContact OE1-NE 2.92Å; E72-R232 PolarHBondContact OE1-NE 3.11Å; E72-R232 IonicContact OE1-NH2 3.55Å; E72-R232 PolarHBondContact OE1-NH2 2.84Å; E72-R232 IonicContact OE2-NH2 3.19Å |
| 73 | F | 92.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -55.9 | -47.4 | 171.7 | 159.4 | -111.4 | 0 | 0 | 0 | 111.9 | I16 L17 M58 F62 Y67 I70 C75 D76 F77 L105 | I16-F73 HydrophobicContact CB-CE1 4.33Å; I16-F73 HydrophobicContact CG2-CE1 3.98Å; I16-F73 HydrophobicContact CG2-CZ 4.1Å; L17-F73 HydrophobicContact CB-CE2 3.99Å; L17-F73 HydrophobicContact CB-CZ 4.23Å; L17-F73 HydrophobicContact CD1-CE2 4.21Å; M58-F73 HydrophobicContact SD-CD2 4.29Å; M58-F73 HydrophobicContact SD-CE2 4.22Å; F62-F73 AromaticContact CE2-CD2 3.69Å; F62-F73 HydrophobicContact CE2-CD2 3.69Å; F62-F73 HydrophobicContact CE2-CE2 4.25Å; F62-F73 HydrophobicContact CE2-CG 4.27Å; F62-F73 HydrophobicContact CZ-CB 3.98Å; F62-F73 AromaticContact CZ-CD2 3.81Å; F62-F73 HydrophobicContact CZ-CD2 3.81Å; F62-F73 AromaticContact CZ-CG 3.92Å; F62-F73 HydrophobicContact CZ-CG 3.92Å; Y67-F73 HydrophobicContact CD1-CB 4.5Å; I70-F73 HydrophobicContact CG1-CD1 4.39Å; I70-F73 PolarHBondContact O-N 3.48Å; F73-C75 VanDerWaalsContact C-N 3.31Å; F73-C75 PolarHBondContact O-N 2.98Å; F73-D76 PolarHBondContact O-N 3.1Å; F73-F77 HydrophobicContact CE2-CD2 4.24Å; F73-F77 HydrophobicContact CZ-CD2 4.22Å; F73-F77 PolarHBondContact O-N 2.93Å; F73-L105 HydrophobicContact CE1-CD1 4.14Å; F73-L105 HydrophobicContact CZ-CD1 4.34Å |
| 74 | V | 91.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.2 | -33.2 | -179.5 | 176.6 | 0 | 0 | 0 | 0 | 111.6 | I70 R71 E72 R78 L109 A120 T125 | I70-V74 HydrophobicContact CG1-CG2 3.92Å; I70-V74 VanDerWaalsContact O-CG2 3.27Å; I70-V74 WeakPolarHBondContact O-CG2 3.07Å; I70-V74 PolarHBondContact O-N 3.44Å; R71-V74 PolarHBondContact O-N 3.43Å; E72-V74 VanDerWaalsContact C-N 3.34Å; E72-V74 PolarHBondContact O-N 2.99Å; V74-R78 HydrophobicContact CG1-CG 4.38Å; V74-R78 VanDerWaalsContact CG1-CZ 3.47Å; V74-R78 WeakPolarHBondContact O-CB 3.42Å; V74-R78 WeakPolarHBondContact O-CG 3.25Å; V74-R78 PolarHBondContact O-N 3.25Å; V74-L109 HydrophobicContact CG1-CD1 4.32Å; V74-L109 HydrophobicContact CG2-CD1 4.31Å; V74-L109 HydrophobicContact CG2-CD2 4.08Å; V74-A120 HydrophobicContact CG2-CB 4.06Å; V74-T125 HydrophobicContact CB-CG2 4.23Å; V74-T125 HydrophobicContact CG1-CG2 3.82Å |
| 75 | C | 90.4 | Very high | 88.2 | Confident | 6 Ų | 6 | 18.3 Ų | 18.3 | 4% | 0.041 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60.5 | -48.5 | 172.5 | -77.5 | 0 | 0 | 0 | 0 | 111.7 | R71 E72 F73 R78 L79 T125 L225 | R71-C75 PolarHBondContact O-N 2.99Å; R71-C75 PolarHBondContact O-SG 3.48Å; E72-C75 WeakPolarHBondContact O-CB 3.49Å; E72-C75 PolarHBondContact O-N 3.37Å; F73-C75 VanDerWaalsContact C-N 3.31Å; F73-C75 PolarHBondContact O-N 2.98Å; C75-R78 PolarHBondContact O-N 2.92Å; C75-L79 WeakPolarHBondContact O-CB 3.48Å; C75-L79 PolarHBondContact O-N 3.12Å; C75-T125 WeakPolarHBondContact SG-CG2 3.42Å; C75-L225 HydrophobicContact CB-CD2 4.38Å; C75-L225 WeakPolarHBondContact CB-O 3.3Å |
| 76 | D | 90.2 | Very high | 88.1 | Confident | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.005 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -66.9 | -39 | 179.8 | -84.1 | 21.9 | 0 | 0 | 0 | 112.2 | I53 M58 K61 Y67 E72 F73 L79 M80 W228 | I53-D76 HydrophobicContact CD1-CB 4.2Å; I53-D76 HydrophobicContact CG1-CB 4.04Å; M58-D76 HydrophobicContact CG-CB 4.15Å; M58-D76 HydrophobicContact SD-CB 3.93Å; K61-D76 WeakPolarHBondContact CE-OD2 3.24Å; K61-D76 IonicContact NZ-OD2 3.06Å; K61-D76 PolarHBondContact NZ-OD2 3.41Å; Y67-D76 PolarHBondContact OH-OD2 2.9Å; Y67-D76 VanDerWaalsContact OH-OD2 3.07Å; E72-D76 PolarHBondContact O-N 3.35Å; E72-D76 VanDerWaalsContact O-N 3.11Å; F73-D76 PolarHBondContact O-N 3.1Å; D76-L79 WeakPolarHBondContact O-CB 3.24Å; D76-L79 PolarHBondContact O-N 3.29Å; D76-M80 PolarHBondContact O-N 3.1Å; D76-W228 WeakPolarHBondContact OD1-CZ2 3.29Å; D76-W228 PolarHBondContact OD1-NE1 3.12Å |
| 77 | F | 92.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.1 | -44.4 | 174.4 | -164.1 | -78 | 0 | 0 | 0 | 111.5 | L20 L55 M58 F73 L79 M80 L81 L101 L105 | L20-F77 HydrophobicContact CD1-CD2 4.4Å; L20-F77 HydrophobicContact CD1-CE2 3.55Å; L20-F77 HydrophobicContact CD1-CZ 3.82Å; L55-F77 HydrophobicContact CD2-CD2 4.41Å; L55-F77 HydrophobicContact CD2-CE2 3.9Å; M58-F77 HydrophobicContact CE-CB 4.41Å; M58-F77 HydrophobicContact CE-CD2 3.76Å; M58-F77 HydrophobicContact CE-CE2 4.5Å; M58-F77 HydrophobicContact CE-CG 4.41Å; M58-F77 HydrophobicContact SD-CB 4.07Å; M58-F77 HydrophobicContact SD-CD2 4.32Å; F73-F77 HydrophobicContact CE2-CD2 4.24Å; F73-F77 HydrophobicContact CZ-CD2 4.22Å; F73-F77 PolarHBondContact O-N 2.93Å; F77-L79 VanDerWaalsContact C-N 3.3Å; F77-L79 PolarHBondContact O-N 3.06Å; F77-M80 HydrophobicContact CD1-CE 4.33Å; F77-M80 HydrophobicContact CD2-CE 3.96Å; F77-M80 HydrophobicContact CE1-CE 4.24Å; F77-M80 HydrophobicContact CE2-CE 3.81Å; F77-M80 HydrophobicContact CG-CE 4.23Å; F77-M80 HydrophobicContact CZ-CE 3.97Å; F77-M80 WeakPolarHBondContact O-CB 3.3Å; F77-M80 PolarHBondContact O-N 3.41Å; F77-L81 HydrophobicContact CD1-CD1 3.84Å; F77-L81 HydrophobicContact CD1-CG 4.09Å; F77-L81 HydrophobicContact CE1-CD1 3.79Å; F77-L81 HydrophobicContact CE1-CD2 4.24Å; F77-L81 HydrophobicContact CE1-CG 4.04Å; F77-L81 WeakPolarHBondContact O-CG 3.31Å; F77-L81 PolarHBondContact O-N 3.46Å; F77-L81 VanDerWaalsContact O-N 3.12Å; F77-L101 HydrophobicContact CZ-CB 4.27Å; F77-L105 HydrophobicContact CB-CD2 4.22Å; F77-L105 HydrophobicContact CD1-CB 4.41Å; F77-L105 HydrophobicContact CD1-CD2 3.33Å; F77-L105 HydrophobicContact CD1-CG 4.33Å; F77-L105 HydrophobicContact CE1-CB 3.91Å; F77-L105 HydrophobicContact CE1-CD2 3.73Å; F77-L105 HydrophobicContact CE1-CG 4.33Å; F77-L105 HydrophobicContact CG-CD2 3.82Å; F77-L105 HydrophobicContact CZ-CB 4.24Å |
| 78 | R | 92.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.2 | -34.4 | 175.6 | -75.6 | -177.7 | 174.4 | 131 | 10.4 | 111.8 | V74 C75 L81 L82 E106 A120 T125 M161 L225 | V74-R78 HydrophobicContact CG1-CG 4.38Å; V74-R78 VanDerWaalsContact CG1-CZ 3.47Å; V74-R78 WeakPolarHBondContact O-CB 3.42Å; V74-R78 WeakPolarHBondContact O-CG 3.25Å; V74-R78 PolarHBondContact O-N 3.25Å; C75-R78 PolarHBondContact O-N 2.92Å; R78-L81 PolarHBondContact O-N 3.45Å; R78-L82 WeakPolarHBondContact O-CB 3.4Å; R78-L82 PolarHBondContact O-N 3.43Å; R78-E106 IonicContact CZ-OE1 2.85Å; R78-E106 IonicContact NE-OE1 3.96Å; R78-E106 IonicContact NH2-OE1 3.06Å; R78-E106 PolarHBondContact NH2-OE1 3.21Å; R78-E106 IonicContact NH2-OE2 3.11Å; R78-A120 PolarHBondContact NH1-O 3.11Å; R78-A120 PolarHBondContact NH2-O 3.49Å; R78-T125 PolarHBondContact NH1-OG1 3.32Å; R78-M161 HydrophobicContact CB-CE 4.39Å; R78-M161 HydrophobicContact CB-CG 3.96Å; R78-M161 HydrophobicContact CB-SD 4.01Å; R78-M161 HydrophobicContact CG-CG 3.84Å; R78-M161 HydrophobicContact CG-SD 4.18Å; R78-L225 HydrophobicContact CB-CD1 4.17Å; R78-L225 HydrophobicContact CB-CD2 3.99Å |
| 79 | L | 90.2 | Very high | 87.3 | Confident | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.01 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -66 | -40.3 | 174.9 | -178.1 | 60.4 | 0 | 0 | 0 | 111.6 | V51 I53 C75 D76 F77 L81 L82 N83 I222 L225 | V51-L79 HydrophobicContact CB-CD2 4.12Å; V51-L79 HydrophobicContact CG1-CD2 4.17Å; I53-L79 HydrophobicContact CG2-CB 4.14Å; I53-L79 HydrophobicContact CG2-CD2 4.22Å; I53-L79 HydrophobicContact CG2-CG 3.89Å; C75-L79 WeakPolarHBondContact O-CB 3.48Å; C75-L79 PolarHBondContact O-N 3.12Å; D76-L79 WeakPolarHBondContact O-CB 3.24Å; D76-L79 PolarHBondContact O-N 3.29Å; F77-L79 VanDerWaalsContact C-N 3.3Å; F77-L79 PolarHBondContact O-N 3.06Å; L79-L81 PolarHBondContact O-N 3.4Å; L79-L82 PolarHBondContact O-N 3.16Å; L79-N83 WeakPolarHBondContact O-CB 3.37Å; L79-N83 VanDerWaalsContact O-CG 3.28Å; L79-N83 PolarHBondContact O-N 3.03Å; L79-N83 PolarHBondContact O-ND2 3.12Å; L79-I222 HydrophobicContact CD1-CB 4.39Å; L79-I222 HydrophobicContact CD1-CG1 4.09Å; L79-I222 HydrophobicContact CD1-CG2 4.07Å; L79-L225 HydrophobicContact CB-CB 4.3Å; L79-L225 HydrophobicContact CB-CD1 4.23Å; L79-L225 HydrophobicContact CD1-CB 4.45Å; L79-L225 HydrophobicContact CD1-CD1 4.48Å |
| 80 | M | 90.3 | Very high | 86.9 | Confident | 7 Ų | 7 | 18 Ų | 18 | 3% | 0.034 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -58.3 | -46.9 | 173 | -177.3 | -175.4 | 65.5 | 0 | 0 | 111.5 | F32 I53 L55 M58 D76 F77 C84 | F32-M80 HydrophobicContact CB-CE 4.47Å; F32-M80 HydrophobicContact CB-SD 3.93Å; F32-M80 HydrophobicContact CD1-CE 4.46Å; F32-M80 HydrophobicContact CD1-CG 4.21Å; F32-M80 HydrophobicContact CD1-SD 4.23Å; F32-M80 HydrophobicContact CG-SD 4.46Å; I53-M80 VanDerWaalsContact CG2-CA 3.48Å; I53-M80 HydrophobicContact CG2-CB 3.77Å; I53-M80 VanDerWaalsContact CG2-N 3.35Å; L55-M80 HydrophobicContact CD2-CE 3.88Å; L55-M80 HydrophobicContact CD2-SD 4.16Å; L55-M80 HydrophobicContact CG-CE 4.24Å; L55-M80 HydrophobicContact CG-SD 3.98Å; M58-M80 HydrophobicContact CE-CE 3.93Å; M58-M80 HydrophobicContact CE-SD 3.77Å; D76-M80 PolarHBondContact O-N 3.1Å; F77-M80 HydrophobicContact CD1-CE 4.33Å; F77-M80 HydrophobicContact CD2-CE 3.96Å; F77-M80 HydrophobicContact CE1-CE 4.24Å; F77-M80 HydrophobicContact CE2-CE 3.81Å; F77-M80 HydrophobicContact CG-CE 4.23Å; F77-M80 HydrophobicContact CZ-CE 3.97Å; F77-M80 WeakPolarHBondContact O-CB 3.3Å; F77-M80 PolarHBondContact O-N 3.41Å; M80-C84 WeakPolarHBondContact O-CB 3.39Å; M80-C84 PolarHBondContact O-N 3.02Å |
| 81 | L | 90.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.9 | -46.3 | 176.4 | -64.5 | 174.6 | 0 | 0 | 0 | 111.7 | F77 R78 L79 N83 C84 Y85 A98 L101 E102 | F77-L81 HydrophobicContact CD1-CD1 3.84Å; F77-L81 HydrophobicContact CD1-CG 4.09Å; F77-L81 HydrophobicContact CE1-CD1 3.79Å; F77-L81 HydrophobicContact CE1-CD2 4.24Å; F77-L81 HydrophobicContact CE1-CG 4.04Å; F77-L81 WeakPolarHBondContact O-CG 3.31Å; F77-L81 PolarHBondContact O-N 3.46Å; F77-L81 VanDerWaalsContact O-N 3.12Å; R78-L81 PolarHBondContact O-N 3.45Å; L79-L81 PolarHBondContact O-N 3.4Å; L81-N83 PolarHBondContact O-N 3.28Å; L81-C84 WeakPolarHBondContact O-CB 3.49Å; L81-C84 PolarHBondContact O-N 3.45Å; L81-C84 VanDerWaalsContact O-N 3.14Å; L81-Y85 HydrophobicContact CB-CD2 4.39Å; L81-Y85 HydrophobicContact CB-CE2 4.02Å; L81-Y85 WeakPolarHBondContact O-CD2 3.45Å; L81-Y85 PolarHBondContact O-N 2.59Å; L81-A98 HydrophobicContact CD2-CB 3.83Å; L81-A98 WeakPolarHBondContact CD2-O 3.43Å; L81-L101 HydrophobicContact CD2-CB 4.44Å; L81-E102 HydrophobicContact CD1-CB 3.61Å; L81-E102 HydrophobicContact CD1-CG 3.65Å; L81-E102 HydrophobicContact CD2-CB 4.48Å |
| 82 | L | 87.5 | Confident | 86.3 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.7 | -47.3 | 178.3 | -179.7 | 59.7 | 0 | 0 | 0 | 111.9 | R78 L79 C84 Y85 R86 M161 I165 V218 I221 I222 L225 | R78-L82 WeakPolarHBondContact O-CB 3.4Å; R78-L82 PolarHBondContact O-N 3.43Å; L79-L82 PolarHBondContact O-N 3.16Å; L82-C84 VanDerWaalsContact C-N 3.3Å; L82-C84 PolarHBondContact O-N 2.89Å; L82-Y85 PolarHBondContact O-N 2.82Å; L82-R86 VanDerWaalsContact O-CB 3.26Å; L82-R86 WeakPolarHBondContact O-CB 3.31Å; L82-R86 PolarHBondContact O-N 2.91Å; L82-M161 HydrophobicContact CB-CE 3.77Å; L82-M161 HydrophobicContact CD1-CE 4.16Å; L82-M161 HydrophobicContact CD2-CE 4.1Å; L82-M161 HydrophobicContact CG-CE 4.24Å; L82-I165 HydrophobicContact CD1-CD1 3.35Å; L82-I165 HydrophobicContact CD1-CG1 3.68Å; L82-V218 HydrophobicContact CD1-CG1 4.34Å; L82-I221 HydrophobicContact CD2-CB 4.07Å; L82-I221 HydrophobicContact CD2-CG2 3.47Å; L82-I221 VanDerWaalsContact CD2-CG2 3.47Å; L82-I222 HydrophobicContact CD2-CG1 3.62Å; L82-I222 HydrophobicContact CG-CG1 4.41Å; L82-L225 HydrophobicContact CD2-CD1 3.92Å |
| 83 | N | 84 | Confident | 86 | Confident | 10 Ų | 10 | 30.3 Ų | 30.3 | 5% | 0.053 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.3 | -42.8 | 175.4 | -74.9 | -20.4 | 0 | 0 | 0 | 111.1 | V51 L79 L81 R86 H87 | V51-N83 PolarHBondContact O-ND2 2.96Å; L79-N83 WeakPolarHBondContact O-CB 3.37Å; L79-N83 VanDerWaalsContact O-CG 3.28Å; L79-N83 PolarHBondContact O-N 3.03Å; L79-N83 PolarHBondContact O-ND2 3.12Å; L81-N83 PolarHBondContact O-N 3.28Å; N83-R86 PolarHBondContact O-N 3.28Å; N83-H87 PolarHBondContact O-N 3.49Å; N83-H87 VanDerWaalsContact O-N 3.1Å; N83-H87 PolarHBondContact O-ND1 2.76Å |
| 84 | C | 84.7 | Confident | 85.6 | Confident | 11 Ų | 11 | 31.6 Ų | 31.6 | 7% | 0.074 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.1 | -50.8 | 177.1 | 168.3 | 0 | 0 | 0 | 0 | 112.4 | F32 M80 L81 L82 R86 H87 N88 A98 | F32-C84 HydrophobicContact CE1-CB 3.83Å; M80-C84 WeakPolarHBondContact O-CB 3.39Å; M80-C84 PolarHBondContact O-N 3.02Å; L81-C84 WeakPolarHBondContact O-CB 3.49Å; L81-C84 PolarHBondContact O-N 3.45Å; L81-C84 VanDerWaalsContact O-N 3.14Å; L82-C84 VanDerWaalsContact C-N 3.3Å; L82-C84 PolarHBondContact O-N 2.89Å; C84-R86 VanDerWaalsContact C-N 3.28Å; C84-R86 PolarHBondContact O-N 3.19Å; C84-H87 PolarHBondContact O-N 3.1Å; C84-N88 WeakPolarHBondContact O-CB 3.48Å; C84-N88 PolarHBondContact O-N 2.74Å; C84-N88 PolarHBondContact O-ND2 3.22Å; C84-N88 VanDerWaalsContact O-ND2 3.16Å; C84-A98 HydrophobicContact CB-CB 4.44Å |
| 85 | Y | 85.7 | Confident | 85.2 | Confident | 3 Ų | 3 | 31.6 Ų | 31.6 | 1% | 0.012 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63 | -36.2 | 179.4 | -69.4 | -50.9 | 0 | 0 | 0 | 112.3 | L81 L82 G89 I90 G95 A98 E99 M161 R162 I165 | L81-Y85 HydrophobicContact CB-CD2 4.39Å; L81-Y85 HydrophobicContact CB-CE2 4.02Å; L81-Y85 WeakPolarHBondContact O-CD2 3.45Å; L81-Y85 PolarHBondContact O-N 2.59Å; L82-Y85 PolarHBondContact O-N 2.82Å; Y85-G89 WeakPolarHBondContact O-CA 3.41Å; Y85-G89 PolarHBondContact O-N 2.87Å; Y85-I90 HydrophobicContact CD1-CB 4.45Å; Y85-I90 HydrophobicContact CD1-CG1 3.97Å; Y85-I90 HydrophobicContact CG-CG1 4.36Å; Y85-G95 WeakPolarHBondContact CE1-O 3.26Å; Y85-A98 HydrophobicContact CE1-CB 3.85Å; Y85-A98 HydrophobicContact CE2-CB 4.47Å; Y85-A98 VanDerWaalsContact OH-C 3.31Å; Y85-E99 WeakPolarHBondContact OH-CA 3.45Å; Y85-E99 PolarHBondContact OH-N 3.46Å; Y85-M161 HydrophobicContact CE2-CB 4.37Å; Y85-R162 HydrophobicContact CE1-CB 4.38Å; Y85-R162 HydrophobicContact CE1-CG 4.36Å; Y85-R162 HydrophobicContact CE2-CB 4.05Å; Y85-I165 HydrophobicContact CD2-CD1 3.52Å; Y85-I165 HydrophobicContact CG-CD1 3.73Å |
| 86 | R | 80.8 | Confident | 85.1 | Confident | 63 Ų | 63 | 38.4 Ų | 38.4 | 24% | 0.238 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.2 | -45.3 | 179.3 | -170.1 | -173.4 | -170.4 | -177 | 5 | 113.1 | L82 N83 C84 D215 V218 | L82-R86 VanDerWaalsContact O-CB 3.26Å; L82-R86 WeakPolarHBondContact O-CB 3.31Å; L82-R86 PolarHBondContact O-N 2.91Å; N83-R86 PolarHBondContact O-N 3.28Å; C84-R86 VanDerWaalsContact C-N 3.28Å; C84-R86 PolarHBondContact O-N 3.19Å; R86-D215 IonicContact NH2-OD1 3.43Å; R86-V218 HydrophobicContact CG-CG1 4.42Å |
| 87 | H | 75.7 | Confident | 85 | Confident | 97 Ų | 97 | 39.1 Ų | 39.1 | 45% | 0.449 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -79.7 | -37.6 | -177.2 | -67.5 | 100.2 | 0 | 0 | 0 | 112.9 | T50 N83 C84 | T50-H87 WeakPolarHBondContact CG2-CE1 3.46Å; T50-H87 WeakPolarHBondContact CG2-NE2 3.35Å; N83-H87 PolarHBondContact O-N 3.49Å; N83-H87 VanDerWaalsContact O-N 3.1Å; N83-H87 PolarHBondContact O-ND1 2.76Å; C84-H87 PolarHBondContact O-N 3.1Å |
| 88 | N | 80.5 | Confident | 84.8 | Confident | 79 Ų | 79 | 39.1 Ų | 39.1 | 42% | 0.422 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -102.8 | -16.4 | -170.6 | -58 | -56.6 | 0 | 0 | 0 | 113.7 | C84 S92 I94 | C84-N88 WeakPolarHBondContact O-CB 3.48Å; C84-N88 PolarHBondContact O-N 2.74Å; C84-N88 PolarHBondContact O-ND2 3.22Å; C84-N88 VanDerWaalsContact O-ND2 3.16Å; N88-S92 WeakPolarHBondContact O-CB 3.38Å; N88-I94 HydrophobicContact CB-CG2 3.18Å; N88-I94 WeakPolarHBondContact ND2-CG2 3.49Å |
| 89 | G | 79.8 | Confident | 84.7 | Confident | 29 Ų | 29 | 41.7 Ų | 41.7 | 30% | 0.299 | 21% | 0.209 | S | C | . | . | trans | 78.4 | 154.9 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y85 S91 S92 | Y85-G89 WeakPolarHBondContact O-CA 3.41Å; Y85-G89 PolarHBondContact O-N 2.87Å; G89-S91 PolarHBondContact O-N 3.25Å; G89-S92 PolarHBondContact O-N 3.22Å | ||
| 90 | I | 77.5 | Confident | 84.6 | Confident | 9 Ų | 9 | 46.4 Ų | 46.4 | 5% | 0.046 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -36 | -177 | -63 | 157.8 | 0 | 0 | 0 | 111.9 | Y85 S92 R162 I165 E166 | Y85-I90 HydrophobicContact CD1-CB 4.45Å; Y85-I90 HydrophobicContact CD1-CG1 3.97Å; Y85-I90 HydrophobicContact CG-CG1 4.36Å; I90-S92 VanDerWaalsContact C-N 3.31Å; I90-S92 PolarHBondContact O-N 2.73Å; I90-R162 HydrophobicContact CG2-CG 3.71Å; I90-I165 HydrophobicContact CD1-CB 4.01Å; I90-I165 HydrophobicContact CD1-CG2 3.74Å; I90-I165 HydrophobicContact CG1-CG2 4.18Å; I90-E166 HydrophobicContact CD1-CB 3.87Å |
| 91 | S | 80.5 | Confident | 84.6 | Confident | 106 Ų | 106 | 46 Ų | 46 | 74% | 0.741 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -11.1 | -177.3 | -60.3 | 0 | 0 | 0 | 0 | 114.4 | G89 | G89-S91 PolarHBondContact O-N 3.25Š|
| 92 | S | 85.3 | Confident | 84.7 | Confident | 48 Ų | 48 | 46 Ų | 46 | 34% | 0.336 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -68.5 | 158.1 | -178.3 | -176 | 0 | 0 | 0 | 0 | 112.1 | N88 G89 I90 I94 G95 R96 | N88-S92 WeakPolarHBondContact O-CB 3.38Å; G89-S92 PolarHBondContact O-N 3.22Å; I90-S92 VanDerWaalsContact C-N 3.31Å; I90-S92 PolarHBondContact O-N 2.73Å; S92-I94 PolarHBondContact O-N 3.32Å; S92-I94 WeakPolarHBondContact OG-CG2 3.26Å; S92-G95 WeakPolarHBondContact O-CA 3.33Å; S92-G95 PolarHBondContact O-N 3.3Å; S92-R96 PolarHBondContact O-N 2.89Å |
| 93 | R | 82.6 | Confident | 84.8 | Confident | 165 Ų | 165 | 48.7 Ų | 48.7 | 62% | 0.623 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -54.9 | -41.9 | 177.4 | -179.7 | 179.6 | 172.1 | -159.1 | -3.5 | 111.1 | Y30 R96 C97 | Y30-R93 PolarHBondContact OH-NH2 3.07Å; R93-R96 PolarHBondContact O-N 3.46Å; R93-C97 PolarHBondContact O-N 2.98Å; R93-C97 VanDerWaalsContact O-N 3.08Å; R93-C97 PolarHBondContact O-SG 3.33Å; R93-C97 VanDerWaalsContact O-SG 3.33Å |
| 94 | I | 84 | Confident | 85.1 | Confident | 27 Ų | 27 | 49.5 Ų | 49.5 | 14% | 0.138 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.7 | -37.5 | 176 | 180 | 69.9 | 0 | 0 | 0 | 112.2 | L31 F32 N88 S92 R96 C97 A98 | L31-I94 HydrophobicContact CB-CD1 3.32Å; L31-I94 HydrophobicContact CD1-CD1 3.47Å; L31-I94 VanDerWaalsContact CD1-CD1 3.47Å; L31-I94 HydrophobicContact CD2-CD1 4.45Å; L31-I94 HydrophobicContact CG-CD1 3.89Å; F32-I94 HydrophobicContact CE1-CD1 4.12Å; F32-I94 HydrophobicContact CE2-CD1 3.87Å; F32-I94 HydrophobicContact CZ-CD1 3.55Å; F32-I94 HydrophobicContact CZ-CG1 4.21Å; N88-I94 HydrophobicContact CB-CG2 3.18Å; N88-I94 WeakPolarHBondContact ND2-CG2 3.49Å; S92-I94 PolarHBondContact O-N 3.32Å; S92-I94 WeakPolarHBondContact OG-CG2 3.26Å; I94-R96 VanDerWaalsContact C-N 3.34Å; I94-R96 PolarHBondContact O-N 3.27Å; I94-C97 WeakPolarHBondContact O-CB 3.29Å; I94-C97 PolarHBondContact O-N 2.62Å; I94-C97 VanDerWaalsContact O-N 3.15Å; I94-A98 PolarHBondContact O-N 2.89Å |
| 95 | G | 85.5 | Confident | 85.5 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.6 | -39.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y85 S92 A98 E99 | Y85-G95 WeakPolarHBondContact CE1-O 3.26Å; S92-G95 WeakPolarHBondContact O-CA 3.33Å; S92-G95 PolarHBondContact O-N 3.3Å; G95-A98 WeakPolarHBondContact O-CB 3.37Å; G95-A98 PolarHBondContact O-N 2.94Å; G95-E99 PolarHBondContact O-N 3.4Å |
| 96 | R | 87.5 | Confident | 85.7 | Confident | 150 Ų | 150 | 50 Ų | 50 | 57% | 0.566 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -66.9 | -35.7 | 172 | -74.6 | -175.7 | -85.1 | 139 | -10.1 | 113.1 | S92 R93 I94 K100 | S92-R96 PolarHBondContact O-N 2.89Å; R93-R96 PolarHBondContact O-N 3.46Å; I94-R96 VanDerWaalsContact C-N 3.34Å; I94-R96 PolarHBondContact O-N 3.27Å; R96-K100 PolarHBondContact O-N 2.91Å |
| 97 | C | 87.5 | Confident | 86.1 | Confident | 16 Ų | 16 | 51.2 Ų | 51.2 | 11% | 0.108 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 171.5 | -67.9 | 0 | 0 | 0 | 0 | 111.4 | V28 L31 F32 R93 I94 K100 L101 | V28-C97 HydrophobicContact CB-CB 4.39Å; V28-C97 HydrophobicContact CG1-CB 4.29Å; L31-C97 HydrophobicContact CD1-CB 4.17Å; F32-C97 HydrophobicContact CE2-CB 3.98Å; F32-C97 HydrophobicContact CZ-CB 4.4Å; R93-C97 PolarHBondContact O-N 2.98Å; R93-C97 VanDerWaalsContact O-N 3.08Å; R93-C97 PolarHBondContact O-SG 3.33Å; R93-C97 VanDerWaalsContact O-SG 3.33Å; I94-C97 WeakPolarHBondContact O-CB 3.29Å; I94-C97 PolarHBondContact O-N 2.62Å; I94-C97 VanDerWaalsContact O-N 3.15Å; C97-K100 PolarHBondContact O-N 3.48Å; C97-L101 PolarHBondContact O-N 2.95Å; C97-L101 VanDerWaalsContact O-N 3.08Å |
| 98 | A | 89.2 | Confident | 86.7 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | F32 L81 C84 Y85 I94 G95 K100 L101 E102 | F32-A98 HydrophobicContact CE1-CB 4.05Å; F32-A98 HydrophobicContact CZ-CB 3.67Å; L81-A98 HydrophobicContact CD2-CB 3.83Å; L81-A98 WeakPolarHBondContact CD2-O 3.43Å; C84-A98 HydrophobicContact CB-CB 4.44Å; Y85-A98 HydrophobicContact CE1-CB 3.85Å; Y85-A98 HydrophobicContact CE2-CB 4.47Å; Y85-A98 VanDerWaalsContact OH-C 3.31Å; I94-A98 PolarHBondContact O-N 2.89Å; G95-A98 WeakPolarHBondContact O-CB 3.37Å; G95-A98 PolarHBondContact O-N 2.94Å; A98-K100 VanDerWaalsContact C-N 3.28Å; A98-K100 PolarHBondContact O-N 3.35Å; A98-L101 WeakPolarHBondContact O-CB 3.49Å; A98-L101 PolarHBondContact O-N 3.45Å; A98-L101 VanDerWaalsContact O-N 3.08Å; A98-E102 PolarHBondContact O-N 3.19Å |
| 99 | E | 89.3 | Confident | 87.1 | Confident | 53 Ų | 53 | 46.7 Ų | 46.7 | 25% | 0.248 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.4 | -42.5 | 176.1 | -180 | -175.3 | -163.4 | 0 | 0 | 111.8 | Y85 G95 E102 L103 T159 R162 | Y85-E99 WeakPolarHBondContact OH-CA 3.45Å; Y85-E99 PolarHBondContact OH-N 3.46Å; G95-E99 PolarHBondContact O-N 3.4Å; E99-E102 PolarHBondContact O-N 3.05Å; E99-L103 WeakPolarHBondContact O-CB 3.4Å; E99-L103 PolarHBondContact O-N 2.78Å; E99-T159 HydrophobicContact CG-CG2 3.84Å; E99-R162 IonicContact OE1-CZ 3.51Å; E99-R162 IonicContact OE1-NE 3.6Å; E99-R162 IonicContact OE1-NH1 3.58Å; E99-R162 IonicContact OE2-CZ 3.35Å; E99-R162 IonicContact OE2-NH1 2.66Å; E99-R162 PolarHBondContact OE2-NH1 3.06Å; E99-R162 IonicContact OE2-NH2 3.95Å |
| 100 | K | 89.3 | Confident | 87.4 | Confident | 101 Ų | 101 | 50.4 Ų | 50.4 | 44% | 0.439 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.6 | -35.1 | 176.9 | -173.6 | 162.3 | 176.5 | -179.5 | 0 | 112.4 | V28 R96 C97 A98 L104 | V28-K100 HydrophobicContact CG1-CB 4.23Å; V28-K100 HydrophobicContact CG1-CD 3.87Å; V28-K100 HydrophobicContact CG1-CG 4.22Å; R96-K100 PolarHBondContact O-N 2.91Å; C97-K100 PolarHBondContact O-N 3.48Å; A98-K100 VanDerWaalsContact C-N 3.28Å; A98-K100 PolarHBondContact O-N 3.35Å; K100-L104 VanDerWaalsContact O-CG 3.26Å; K100-L104 WeakPolarHBondContact O-CG 3.49Å; K100-L104 PolarHBondContact O-N 2.89Å |
| 101 | L | 89.4 | Confident | 87.9 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.8 | -40.2 | 173.2 | -77.9 | 177.5 | 0 | 0 | 0 | 112.2 | V28 N29 F32 F77 L81 C97 A98 L104 L105 | V28-L101 HydrophobicContact CB-CG 4.41Å; V28-L101 HydrophobicContact CG2-CD2 3.92Å; V28-L101 HydrophobicContact CG2-CG 4.23Å; N29-L101 HydrophobicContact CB-CD2 4.42Å; F32-L101 HydrophobicContact CB-CD1 4.44Å; F32-L101 HydrophobicContact CD1-CD1 4.5Å; F32-L101 HydrophobicContact CD2-CD1 3.27Å; F32-L101 HydrophobicContact CE2-CD1 3.51Å; F32-L101 HydrophobicContact CG-CD1 3.83Å; F32-L101 HydrophobicContact CZ-CD1 4.23Å; F77-L101 HydrophobicContact CZ-CB 4.27Å; L81-L101 HydrophobicContact CD2-CB 4.44Å; C97-L101 PolarHBondContact O-N 2.95Å; C97-L101 VanDerWaalsContact O-N 3.08Å; A98-L101 WeakPolarHBondContact O-CB 3.49Å; A98-L101 PolarHBondContact O-N 3.45Å; A98-L101 VanDerWaalsContact O-N 3.08Å; L101-L104 PolarHBondContact O-N 3.49Å; L101-L105 PolarHBondContact O-N 2.93Å |
| 102 | E | 92.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.6 | -47.4 | 175.8 | -168.9 | 171.7 | -160 | 0 | 0 | 111.3 | L81 A98 E99 L104 L105 E106 T159 P160 M161 R162 | L81-E102 HydrophobicContact CD1-CB 3.61Å; L81-E102 HydrophobicContact CD1-CG 3.65Å; L81-E102 HydrophobicContact CD2-CB 4.48Å; A98-E102 PolarHBondContact O-N 3.19Å; E99-E102 PolarHBondContact O-N 3.05Å; E102-L104 VanDerWaalsContact C-N 3.3Å; E102-L104 PolarHBondContact O-N 2.9Å; E102-L105 PolarHBondContact O-N 3.11Å; E102-E106 PolarHBondContact O-N 3.42Å; E102-T159 HydrophobicContact CB-CG2 4.48Å; E102-T159 VanDerWaalsContact CD-C 3.5Å; E102-T159 VanDerWaalsContact CD-CA 3.41Å; E102-T159 WeakPolarHBondContact OE2-CA 3.47Å; E102-T159 WeakPolarHBondContact OE2-CB 3.31Å; E102-P160 WeakPolarHBondContact OE1-CD 3.35Å; E102-P160 WeakPolarHBondContact OE1-CG 3.11Å; E102-P160 VanDerWaalsContact OE1-N 3.14Å; E102-M161 WeakPolarHBondContact OE1-CA 3.44Å; E102-M161 WeakPolarHBondContact OE1-CB 3.38Å; E102-M161 WeakPolarHBondContact OE1-CG 3.29Å; E102-M161 PolarHBondContact OE1-N 3.39Å; E102-R162 PolarHBondContact OE2-N 2.74Å |
| 103 | L | 90.5 | Very high | 88.3 | Confident | 56 Ų | 56 | 53.3 Ų | 53.3 | 29% | 0.293 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -54.8 | -45.6 | 174.3 | 175.1 | 64.4 | 0 | 0 | 0 | 112 | E99 Q107 L158 T159 | E99-L103 WeakPolarHBondContact O-CB 3.4Å; E99-L103 PolarHBondContact O-N 2.78Å; L103-Q107 HydrophobicContact CD1-CG 4.36Å; L103-Q107 WeakPolarHBondContact O-CB 3.24Å; L103-Q107 VanDerWaalsContact O-CG 3.22Å; L103-Q107 WeakPolarHBondContact O-CG 3.44Å; L103-Q107 PolarHBondContact O-N 3.18Å; L103-L158 HydrophobicContact CD1-CB 3.48Å; L103-L158 VanDerWaalsContact CD1-CB 3.48Å; L103-L158 HydrophobicContact CD1-CD1 3.62Å; L103-L158 HydrophobicContact CD1-CD2 4.2Å; L103-L158 HydrophobicContact CD1-CG 3.95Å; L103-T159 HydrophobicContact CB-CG2 4.42Å |
| 104 | L | 90 | Very high | 88.2 | Confident | 26 Ų | 26 | 49.7 Ų | 49.7 | 14% | 0.136 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66 | -40.9 | 179.1 | -71.6 | 168.1 | 0 | 0 | 0 | 111.9 | L20 K100 L101 E102 K108 | L20-L104 HydrophobicContact CD2-CB 3.62Å; L20-L104 HydrophobicContact CD2-CD1 4.42Å; K100-L104 VanDerWaalsContact O-CG 3.26Å; K100-L104 WeakPolarHBondContact O-CG 3.49Å; K100-L104 PolarHBondContact O-N 2.89Å; L101-L104 PolarHBondContact O-N 3.49Å; E102-L104 VanDerWaalsContact C-N 3.3Å; E102-L104 PolarHBondContact O-N 2.9Å; L104-K108 VanDerWaalsContact O-CG 3.27Å; L104-K108 WeakPolarHBondContact O-CG 3.25Å; L104-K108 PolarHBondContact O-N 3.18Å; L104-K108 VanDerWaalsContact O-N 3.08Å |
| 105 | L | 92.7 | Very high | 88.1 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61 | -53 | 174.9 | 176.2 | 69.1 | 0 | 0 | 0 | 110.5 | I16 L20 F73 F77 L101 E102 Q107 K108 L109 | I16-L105 HydrophobicContact CG2-CD1 3.83Å; L20-L105 HydrophobicContact CD1-CB 4.43Å; L20-L105 HydrophobicContact CD1-CD1 4.19Å; F73-L105 HydrophobicContact CE1-CD1 4.14Å; F73-L105 HydrophobicContact CZ-CD1 4.34Å; F77-L105 HydrophobicContact CB-CD2 4.22Å; F77-L105 HydrophobicContact CD1-CB 4.41Å; F77-L105 HydrophobicContact CD1-CD2 3.33Å; F77-L105 HydrophobicContact CD1-CG 4.33Å; F77-L105 HydrophobicContact CE1-CB 3.91Å; F77-L105 HydrophobicContact CE1-CD2 3.73Å; F77-L105 HydrophobicContact CE1-CG 4.33Å; F77-L105 HydrophobicContact CG-CD2 3.82Å; F77-L105 HydrophobicContact CZ-CB 4.24Å; L101-L105 PolarHBondContact O-N 2.93Å; E102-L105 PolarHBondContact O-N 3.11Å; L105-Q107 VanDerWaalsContact C-N 3.29Å; L105-Q107 PolarHBondContact O-N 3.22Å; L105-K108 WeakPolarHBondContact O-CB 3.38Å; L105-K108 PolarHBondContact O-N 3.19Å; L105-L109 HydrophobicContact CD1-CD1 4.46Å; L105-L109 HydrophobicContact CD1-CD2 4.48Å; L105-L109 HydrophobicContact CD1-CG 4.24Å; L105-L109 HydrophobicContact CD2-CD1 4.47Å; L105-L109 HydrophobicContact CG-CD1 4.11Å; L105-L109 HydrophobicContact CG-CG 4.25Å; L105-L109 WeakPolarHBondContact O-CG 3.33Å; L105-L109 PolarHBondContact O-N 3.44Å |
| 106 | E | 90 | Very high | 88 | Confident | 23 Ų | 23 | 55.9 Ų | 55.9 | 11% | 0.107 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.7 | -36.1 | -177 | -68 | -62.9 | 166.2 | 0 | 0 | 111.8 | R78 E102 K108 L109 Q110 L158 | R78-E106 IonicContact CZ-OE1 2.85Å; R78-E106 IonicContact NE-OE1 3.96Å; R78-E106 IonicContact NH2-OE1 3.06Å; R78-E106 PolarHBondContact NH2-OE1 3.21Å; R78-E106 IonicContact NH2-OE2 3.11Å; E102-E106 PolarHBondContact O-N 3.42Å; E106-K108 PolarHBondContact O-N 3.41Å; E106-L109 PolarHBondContact O-N 2.93Å; E106-Q110 VanDerWaalsContact O-CG 3.31Å; E106-Q110 WeakPolarHBondContact O-CG 3.48Å; E106-Q110 PolarHBondContact O-N 3.48Å; E106-L158 HydrophobicContact CB-CD2 4.15Å; E106-L158 WeakPolarHBondContact CG-O 3.4Å |
| 107 | Q | 89.2 | Confident | 87.9 | Confident | 90 Ų | 90 | 54.3 Ų | 54.3 | 42% | 0.421 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 171.5 | -76.2 | 176 | -13 | 0 | 0 | 112.5 | L103 L105 Q110 L158 | L103-Q107 HydrophobicContact CD1-CG 4.36Å; L103-Q107 WeakPolarHBondContact O-CB 3.24Å; L103-Q107 VanDerWaalsContact O-CG 3.22Å; L103-Q107 WeakPolarHBondContact O-CG 3.44Å; L103-Q107 PolarHBondContact O-N 3.18Å; L105-Q107 VanDerWaalsContact C-N 3.29Å; L105-Q107 PolarHBondContact O-N 3.22Å; Q107-Q110 PolarHBondContact O-N 3.43Å; Q107-L158 HydrophobicContact CG-CD2 4.28Å |
| 108 | K | 89 | Confident | 87.7 | Confident | 77 Ų | 77 | 56.6 Ų | 56.6 | 34% | 0.335 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -68.5 | -39 | 176.3 | -69.5 | -73.7 | -173.2 | 166.6 | 0 | 111.7 | I16 S19 L104 L105 E106 Q110 L111 | I16-K108 HydrophobicContact CG1-CB 4.36Å; I16-K108 HydrophobicContact CG2-CB 4.26Å; S19-K108 WeakPolarHBondContact OG-CE 3.34Å; S19-K108 PolarHBondContact OG-NZ 3.03Å; S19-K108 VanDerWaalsContact OG-NZ 3.15Å; L104-K108 VanDerWaalsContact O-CG 3.27Å; L104-K108 WeakPolarHBondContact O-CG 3.25Å; L104-K108 PolarHBondContact O-N 3.18Å; L104-K108 VanDerWaalsContact O-N 3.08Å; L105-K108 WeakPolarHBondContact O-CB 3.38Å; L105-K108 PolarHBondContact O-N 3.19Å; E106-K108 PolarHBondContact O-N 3.41Å; K108-Q110 VanDerWaalsContact C-N 3.25Å; K108-Q110 PolarHBondContact O-N 3.26Å; K108-L111 PolarHBondContact O-N 3.37Å |
| 109 | L | 88.8 | Confident | 87.4 | Confident | 4 Ų | 4 | 60.2 Ų | 60.2 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.5 | -30.2 | 175.5 | -66.9 | -178 | 0 | 0 | 0 | 112.7 | I16 I70 V74 L105 E106 L111 L112 A120 | I16-L109 HydrophobicContact CD1-CD2 4.33Å; I70-L109 HydrophobicContact CD1-CD2 3.92Å; V74-L109 HydrophobicContact CG1-CD1 4.32Å; V74-L109 HydrophobicContact CG2-CD1 4.31Å; V74-L109 HydrophobicContact CG2-CD2 4.08Å; L105-L109 HydrophobicContact CD1-CD1 4.46Å; L105-L109 HydrophobicContact CD1-CD2 4.48Å; L105-L109 HydrophobicContact CD1-CG 4.24Å; L105-L109 HydrophobicContact CD2-CD1 4.47Å; L105-L109 HydrophobicContact CG-CD1 4.11Å; L105-L109 HydrophobicContact CG-CG 4.25Å; L105-L109 WeakPolarHBondContact O-CG 3.33Å; L105-L109 PolarHBondContact O-N 3.44Å; E106-L109 PolarHBondContact O-N 2.93Å; L109-L111 VanDerWaalsContact C-N 3.3Å; L109-L111 PolarHBondContact O-N 2.88Å; L109-L112 HydrophobicContact CD2-CD1 3.75Å; L109-L112 WeakPolarHBondContact O-CB 3.08Å; L109-L112 PolarHBondContact O-N 2.97Å; L109-A120 HydrophobicContact CD1-CB 4.02Å; L109-A120 HydrophobicContact CD2-CB 3.7Å; L109-A120 HydrophobicContact CG-CB 4.39Å |
| 110 | Q | 85.5 | Confident | 87.2 | Confident | 107 Ų | 107 | 57.7 Ų | 57.7 | 50% | 0.5 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -69.8 | -23.2 | 176.3 | -74.9 | 175.3 | 20.9 | 0 | 0 | 114.1 | E106 Q107 K108 L112 L158 | E106-Q110 VanDerWaalsContact O-CG 3.31Å; E106-Q110 WeakPolarHBondContact O-CG 3.48Å; E106-Q110 PolarHBondContact O-N 3.48Å; Q107-Q110 PolarHBondContact O-N 3.43Å; K108-Q110 VanDerWaalsContact C-N 3.25Å; K108-Q110 PolarHBondContact O-N 3.26Å; Q110-L112 VanDerWaalsContact C-N 3.31Å; Q110-L158 VanDerWaalsContact NE2-CD2 3.26Å |
| 111 | L | 88.2 | Confident | 87 | Confident | 145 Ų | 145 | 55 Ų | 55 | 76% | 0.759 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -9.6 | 177.4 | -63.1 | 175.1 | 0 | 0 | 0 | 113.1 | K108 L109 | K108-L111 PolarHBondContact O-N 3.37Å; L109-L111 VanDerWaalsContact C-N 3.3Å; L109-L111 PolarHBondContact O-N 2.88Å |
| 112 | L | 87.2 | Confident | 86.6 | Confident | 25 Ų | 25 | 55.8 Ų | 55.8 | 13% | 0.131 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -77.4 | 162 | 178.9 | -58.7 | 176.8 | 0 | 0 | 0 | 111.8 | I16 I70 L109 Q110 I116 | I16-L112 HydrophobicContact CD1-CD1 4.04Å; I16-L112 HydrophobicContact CD1-CD2 4.37Å; I70-L112 HydrophobicContact CD1-CD1 3.31Å; L109-L112 HydrophobicContact CD2-CD1 3.75Å; L109-L112 WeakPolarHBondContact O-CB 3.08Å; L109-L112 PolarHBondContact O-N 2.97Å; Q110-L112 VanDerWaalsContact C-N 3.31Å; L112-I116 HydrophobicContact CB-CB 4.44Å; L112-I116 HydrophobicContact CB-CG2 4.39Å; L112-I116 HydrophobicContact CD1-CG2 3.9Å |
| 113 | S | 87.2 | Confident | 85.6 | Confident | 53 Ų | 53 | 57.9 Ų | 57.9 | 37% | 0.371 | 29% | 0.294 | S | S | . | . | trans | -59.4 | 151.3 | 174.1 | 71.6 | 0 | 0 | 0 | 0 | 111.1 | E115 I116 R117 | S113-E115 PolarHBondContact O-N 2.73Å; S113-I116 PolarHBondContact O-N 3.47Å; S113-I116 VanDerWaalsContact O-N 3.16Å; S113-I116 WeakPolarHBondContact OG-CG1 3.33Å; S113-I116 PolarHBondContact OG-N 3.41Å; S113-R117 WeakPolarHBondContact O-CB 3.29Å; S113-R117 PolarHBondContact O-N 2.86Å | ||
| 114 | P | 80.7 | Confident | 84.9 | Confident | 89 Ų | 89 | 57.6 Ų | 57.6 | 58% | 0.578 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -54.2 | -37.7 | -180 | -27.8 | 35.4 | 0 | 0 | 0 | 113.7 | R117 T118 | P114-R117 PolarHBondContact O-N 3.24Å; P114-T118 WeakPolarHBondContact O-CG2 3.43Å; P114-T118 PolarHBondContact O-N 2.99Å |
| 115 | E | 80.3 | Confident | 84.5 | Confident | 136 Ų | 136 | 56.7 Ų | 56.7 | 64% | 0.636 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -66.2 | -40.2 | 179.8 | -172.6 | -177.1 | 172.6 | 0 | 0 | 113.1 | S113 T118 | S113-E115 PolarHBondContact O-N 2.73Å; E115-T118 PolarHBondContact O-OG1 3.29Å |
| 116 | I | 84.7 | Confident | 83.5 | Confident | 22 Ų | 22 | 56.8 Ų | 56.8 | 11% | 0.113 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -76 | -36 | 177.3 | -61.6 | 173.8 | 0 | 0 | 0 | 109.6 | E9 L12 I70 L112 S113 T118 K119 A120 | E9-I116 HydrophobicContact CG-CD1 4.45Å; E9-I116 HydrophobicContact CG-CG1 4.44Å; L12-I116 HydrophobicContact CD1-CD1 3.66Å; I70-I116 HydrophobicContact CB-CG2 4.29Å; I70-I116 HydrophobicContact CD1-CG2 3.82Å; I70-I116 HydrophobicContact CG2-CG2 3.68Å; L112-I116 HydrophobicContact CB-CB 4.44Å; L112-I116 HydrophobicContact CB-CG2 4.39Å; L112-I116 HydrophobicContact CD1-CG2 3.9Å; S113-I116 PolarHBondContact O-N 3.47Å; S113-I116 VanDerWaalsContact O-N 3.16Å; S113-I116 WeakPolarHBondContact OG-CG1 3.33Å; S113-I116 PolarHBondContact OG-N 3.41Å; I116-T118 PolarHBondContact O-N 3.26Å; I116-K119 CarbonylContact O-C 3.52Å; I116-K119 WeakPolarHBondContact O-CA 3.49Å; I116-K119 WeakPolarHBondContact O-CB 3.38Å; I116-K119 PolarHBondContact O-N 3.27Å; I116-K119 VanDerWaalsContact O-N 3.14Å; I116-A120 PolarHBondContact O-N 3Å |
| 117 | R | 85.6 | Confident | 82 | Confident | 117 Ų | 117 | 58.4 Ų | 58.4 | 44% | 0.442 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.8 | -38.1 | 177.8 | -171.1 | 177 | 66 | -175.2 | 1.8 | 112.5 | S113 P114 K119 A120 S121 | S113-R117 WeakPolarHBondContact O-CB 3.29Å; S113-R117 PolarHBondContact O-N 2.86Å; P114-R117 PolarHBondContact O-N 3.24Å; R117-K119 VanDerWaalsContact C-N 3.28Å; R117-K119 PolarHBondContact O-N 3.43Å; R117-A120 CarbonylContact O-C 3.56Å; R117-A120 PolarHBondContact O-N 3.08Å; R117-S121 PolarHBondContact O-N 3.28Å |
| 118 | T | 81.9 | Confident | 80 | Confident | 64 Ų | 64 | 55.3 Ų | 55.3 | 39% | 0.393 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.9 | -39.2 | 173.5 | 54.8 | 0 | 0 | 0 | 0 | 111 | R71 P114 E115 I116 A120 S121 | R71-T118 PolarHBondContact NH2-O 3.12Å; P114-T118 WeakPolarHBondContact O-CG2 3.43Å; P114-T118 PolarHBondContact O-N 2.99Å; E115-T118 PolarHBondContact O-OG1 3.29Å; I116-T118 PolarHBondContact O-N 3.26Å; T118-A120 VanDerWaalsContact C-N 3.27Å; T118-A120 PolarHBondContact O-N 3.4Å; T118-S121 WeakPolarHBondContact O-CB 3.36Å; T118-S121 PolarHBondContact O-N 3.45Å |
| 119 | K | 84.3 | Confident | 77.4 | Confident | 76 Ų | 76 | 53.7 Ų | 53.7 | 33% | 0.33 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -7.3 | 171.9 | -61.8 | -178.4 | -168.1 | 176.6 | 0 | 115.2 | E9 I70 R71 I116 R117 | E9-K119 IonicContact OE1-NZ 3.59Å; E9-K119 PolarHBondContact OE1-NZ 3.29Å; E9-K119 IonicContact OE2-NZ 3.82Å; I70-K119 HydrophobicContact CG2-CB 4.07Å; R71-K119 WeakPolarHBondContact CA-O 3.26Å; R71-K119 VanDerWaalsContact CB-O 3.27Å; R71-K119 WeakPolarHBondContact CB-O 3.43Å; R71-K119 WeakPolarHBondContact CD-O 3.45Å; R71-K119 PolarHBondContact NE-O 2.75Å; R71-K119 PolarHBondContact NH1-O 3.29Å; R71-K119 VanDerWaalsContact NH1-O 3.11Å; R71-K119 PolarHBondContact NH2-O 2.75Å; I116-K119 CarbonylContact O-C 3.52Å; I116-K119 WeakPolarHBondContact O-CA 3.49Å; I116-K119 WeakPolarHBondContact O-CB 3.38Å; I116-K119 PolarHBondContact O-N 3.27Å; I116-K119 VanDerWaalsContact O-N 3.14Å; R117-K119 VanDerWaalsContact C-N 3.28Å; R117-K119 PolarHBondContact O-N 3.43Å |
| 120 | A | 85.1 | Confident | 75 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | -11.1 | 172 | 0 | 0 | 0 | 0 | 0 | 112.8 | I70 R71 V74 R78 L109 I116 R117 T118 | I70-A120 HydrophobicContact CD1-CB 4.37Å; I70-A120 HydrophobicContact CG1-CB 4.34Å; I70-A120 HydrophobicContact CG2-CB 4.33Å; R71-A120 PolarHBondContact NH1-O 3.34Å; V74-A120 HydrophobicContact CG2-CB 4.06Å; R78-A120 PolarHBondContact NH1-O 3.11Å; R78-A120 PolarHBondContact NH2-O 3.49Å; L109-A120 HydrophobicContact CD1-CB 4.02Å; L109-A120 HydrophobicContact CD2-CB 3.7Å; L109-A120 HydrophobicContact CG-CB 4.39Å; I116-A120 PolarHBondContact O-N 3Å; R117-A120 CarbonylContact O-C 3.56Å; R117-A120 PolarHBondContact O-N 3.08Å; T118-A120 VanDerWaalsContact C-N 3.27Å; T118-A120 PolarHBondContact O-N 3.4Å |
| 121 | S | 85.2 | Confident | 72.7 | Confident | 43 Ų | 43 | 53.9 Ų | 53.9 | 30% | 0.301 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -54.1 | 146 | -179.6 | 176.6 | 0 | 0 | 0 | 0 | 111.9 | R71 R117 T118 Q123 S124 T125 | R71-S121 PolarHBondContact NH1-O 2.92Å; R71-S121 PolarHBondContact NH2-O 3.38Å; R117-S121 PolarHBondContact O-N 3.28Å; T118-S121 WeakPolarHBondContact O-CB 3.36Å; T118-S121 PolarHBondContact O-N 3.45Å; S121-Q123 PolarHBondContact O-N 2.9Å; S121-Q123 WeakPolarHBondContact OG-CB 3.38Å; S121-Q123 PolarHBondContact OG-N 3.42Å; S121-S124 PolarHBondContact O-N 3.05Å; S121-T125 PolarHBondContact O-N 3.18Å; S121-T125 PolarHBondContact O-OG1 2.85Å |
| 122 | I | 79.8 | Confident | 70.5 | Confident | 17 Ų | 17 | 53.3 Ų | 53.3 | 9% | 0.087 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -48.8 | -37.7 | 174.8 | -166.3 | 64.2 | 0 | 0 | 0 | 111.9 | S124 T125 L126 F128 F150 P160 M161 I164 | I122-S124 PolarHBondContact O-N 3.46Å; I122-T125 WeakPolarHBondContact CA-OG1 3.33Å; I122-T125 PolarHBondContact O-N 3.01Å; I122-T125 PolarHBondContact O-OG1 2.83Å; I122-L126 HydrophobicContact CD1-CD1 3.44Å; I122-L126 VanDerWaalsContact CD1-CD1 3.44Å; I122-L126 HydrophobicContact CD1-CG 4.05Å; I122-L126 HydrophobicContact CG1-CD1 3.89Å; I122-L126 WeakPolarHBondContact O-CB 3.3Å; I122-L126 PolarHBondContact O-N 3.46Å; I122-F128 HydrophobicContact CG1-CE2 4.1Å; I122-F150 HydrophobicContact CG2-CE1 4.31Å; I122-F150 HydrophobicContact CG2-CZ 3.96Å; I122-P160 HydrophobicContact CD1-CB 3.9Å; I122-P160 HydrophobicContact CD1-CG 4.07Å; I122-P160 HydrophobicContact CG1-CB 4.1Å; I122-M161 HydrophobicContact CD1-SD 4.24Å; I122-I164 HydrophobicContact CD1-CD1 4.45Å |
| 123 | Q | 71.9 | Confident | 68.3 | Low | 45 Ų | 45 | 56.6 Ų | 56.6 | 21% | 0.21 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -54.6 | -53.1 | -178 | -155.4 | 57.9 | 9.1 | 0 | 0 | 111.4 | S121 G127 F128 | S121-Q123 PolarHBondContact O-N 2.9Å; S121-Q123 WeakPolarHBondContact OG-CB 3.38Å; S121-Q123 PolarHBondContact OG-N 3.42Å; Q123-G127 CarbonylContact O-C 3.57Å; Q123-G127 PolarHBondContact O-N 3.06Å; Q123-G127 VanDerWaalsContact O-N 3.07Å; Q123-F128 HydrophobicContact CG-CB 4.1Å; Q123-F128 WeakPolarHBondContact CG-O 3.11Å; Q123-F128 VanDerWaalsContact NE2-CB 3.28Å; Q123-F128 PolarHBondContact NE2-O 3.01Å; Q123-F128 PolarHBondContact O-N 3.24Å |
| 124 | S | 74.9 | Confident | 65.9 | Low | 50 Ų | 50 | 61.4 Ų | 61.4 | 35% | 0.35 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -91.9 | -6.7 | -178.1 | 150.3 | 0 | 0 | 0 | 0 | 115 | R71 S121 I122 | R71-S124 VanDerWaalsContact CZ-CB 3.46Å; R71-S124 VanDerWaalsContact NE-C 3.27Å; R71-S124 PolarHBondContact NE-O 3.38Å; R71-S124 PolarHBondContact NE-OG 2.96Å; R71-S124 VanDerWaalsContact NH2-CA 3.29Å; R71-S124 PolarHBondContact NH2-OG 2.83Å; S121-S124 PolarHBondContact O-N 3.05Å; I122-S124 PolarHBondContact O-N 3.46Å |
| 125 | T | 81.9 | Confident | 63.9 | Low | 6 Ų | 6 | 64 Ų | 64 | 4% | 0.037 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -80.8 | -37.1 | 166.9 | 40.1 | 0 | 0 | 0 | 0 | 111.5 | V74 C75 R78 S121 I122 | V74-T125 HydrophobicContact CB-CG2 4.23Å; V74-T125 HydrophobicContact CG1-CG2 3.82Å; C75-T125 WeakPolarHBondContact SG-CG2 3.42Å; R78-T125 PolarHBondContact NH1-OG1 3.32Å; S121-T125 PolarHBondContact O-N 3.18Å; S121-T125 PolarHBondContact O-OG1 2.85Å; I122-T125 WeakPolarHBondContact CA-OG1 3.33Å; I122-T125 PolarHBondContact O-N 3.01Å; I122-T125 PolarHBondContact O-OG1 2.83Å |
| 126 | L | 71.8 | Confident | 61.9 | Low | 3 Ų | 3 | 64.6 Ų | 64.6 | 2% | 0.016 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 5.1 | -176.9 | -67.1 | -179.4 | 0 | 0 | 0 | 112.8 | I122 F128 M161 I164 I221 R224 L225 | I122-L126 HydrophobicContact CD1-CD1 3.44Å; I122-L126 VanDerWaalsContact CD1-CD1 3.44Å; I122-L126 HydrophobicContact CD1-CG 4.05Å; I122-L126 HydrophobicContact CG1-CD1 3.89Å; I122-L126 WeakPolarHBondContact O-CB 3.3Å; I122-L126 PolarHBondContact O-N 3.46Å; L126-F128 HydrophobicContact CB-CD2 3.99Å; L126-F128 HydrophobicContact CB-CE1 4.07Å; L126-F128 HydrophobicContact CB-CE2 3.46Å; L126-F128 VanDerWaalsContact CB-CE2 3.46Å; L126-F128 HydrophobicContact CB-CZ 3.5Å; L126-F128 VanDerWaalsContact CB-CZ 3.5Å; L126-F128 HydrophobicContact CD1-CE2 3.66Å; L126-F128 HydrophobicContact CD1-CZ 3.68Å; L126-F128 HydrophobicContact CG-CE2 4.18Å; L126-F128 HydrophobicContact CG-CZ 4.24Å; L126-F128 PolarHBondContact O-N 3.5Å; L126-M161 HydrophobicContact CD1-SD 4.21Å; L126-I164 HydrophobicContact CD1-CD1 3.55Å; L126-I221 HydrophobicContact CD2-CG2 3.84Å; L126-R224 WeakPolarHBondContact O-CD 3.42Å; L126-R224 PolarHBondContact O-NH1 3.39Å; L126-L225 HydrophobicContact CD2-CD1 4.25Å; L126-L225 HydrophobicContact CD2-CD2 3.56Å; L126-L225 HydrophobicContact CD2-CG 3.69Å; L126-L225 HydrophobicContact CG-CD2 4.45Å |
| 127 | G | 58.3 | Low | 59.2 | Low | 57 Ų | 57 | 68.1 Ų | 68.1 | 59% | 0.588 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | 27.3 | 174 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q123 G129 | Q123-G127 CarbonylContact O-C 3.57Å; Q123-G127 PolarHBondContact O-N 3.06Å; Q123-G127 VanDerWaalsContact O-N 3.07Å; G127-G129 PolarHBondContact O-N 2.87Å; G127-G129 VanDerWaalsContact O-N 3.15Å |
| 128 | F | 47.9 | Very low | 56.5 | Low | 25 Ų | 25 | 68.9 Ų | 68.9 | 11% | 0.11 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -78.8 | 85.2 | 170.7 | -51.6 | -46.7 | 0 | 0 | 0 | 107.9 | I122 Q123 L126 L184 | I122-F128 HydrophobicContact CG1-CE2 4.1Å; Q123-F128 HydrophobicContact CG-CB 4.1Å; Q123-F128 WeakPolarHBondContact CG-O 3.11Å; Q123-F128 VanDerWaalsContact NE2-CB 3.28Å; Q123-F128 PolarHBondContact NE2-O 3.01Å; Q123-F128 PolarHBondContact O-N 3.24Å; L126-F128 HydrophobicContact CB-CD2 3.99Å; L126-F128 HydrophobicContact CB-CE1 4.07Å; L126-F128 HydrophobicContact CB-CE2 3.46Å; L126-F128 VanDerWaalsContact CB-CE2 3.46Å; L126-F128 HydrophobicContact CB-CZ 3.5Å; L126-F128 VanDerWaalsContact CB-CZ 3.5Å; L126-F128 HydrophobicContact CD1-CE2 3.66Å; L126-F128 HydrophobicContact CD1-CZ 3.68Å; L126-F128 HydrophobicContact CG-CE2 4.18Å; L126-F128 HydrophobicContact CG-CZ 4.24Å; L126-F128 PolarHBondContact O-N 3.5Å; F128-L184 HydrophobicContact CD1-CB 4.14Å; F128-L184 HydrophobicContact CD1-CD2 3.86Å; F128-L184 WeakPolarHBondContact CD1-O 3.3Å; F128-L184 HydrophobicContact CD2-CD2 3.99Å; F128-L184 VanDerWaalsContact CE1-C 3.48Å; F128-L184 VanDerWaalsContact CE1-CA 3.42Å; F128-L184 HydrophobicContact CE1-CB 3.32Å; F128-L184 HydrophobicContact CE1-CD2 3.65Å; F128-L184 HydrophobicContact CE1-CG 3.97Å; F128-L184 WeakPolarHBondContact CE1-O 3.43Å; F128-L184 HydrophobicContact CE2-CD2 3.74Å; F128-L184 HydrophobicContact CE2-CG 4.47Å; F128-L184 HydrophobicContact CG-CD2 4.08Å; F128-L184 HydrophobicContact CZ-CB 3.57Å; F128-L184 HydrophobicContact CZ-CD1 4.13Å; F128-L184 HydrophobicContact CZ-CD2 3.59Å; F128-L184 HydrophobicContact CZ-CG 3.9Å |
| 129 | G | 34 | Very low | 54 | Low | 44 Ų | 44 | 69.2 Ų | 69.2 | 45% | 0.454 | 42% | 0.418 | S | S | . | . | S | Bend | trans | 65.3 | 147 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | G127 | G127-G129 PolarHBondContact O-N 2.87Å; G127-G129 VanDerWaalsContact O-N 3.15Å |
| 130 | T | 39.1 | Very low | 51.4 | Low | 73 Ų | 73 | 70.6 Ų | 70.6 | 45% | 0.448 | 43% | 0.433 | S | S | . | . | trans | -84.3 | 150.9 | 179.3 | 64.7 | 0 | 0 | 0 | 0 | 109.8 | E132 D133 | T130-E132 PolarHBondContact O-N 3.1Å; T130-D133 PolarHBondContact N-OD2 3.34Å; T130-D133 PolarHBondContact O-N 3Å; T130-D133 VanDerWaalsContact O-N 3.1Å; T130-D133 VanDerWaalsContact OG1-CG 3.32Å; T130-D133 PolarHBondContact OG1-OD2 3.41Å | ||
| 131 | A | 37.5 | Very low | 48.6 | Very low | 42 Ų | 42 | 78.3 Ų | 78.3 | 35% | 0.347 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.2 | -22.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | D133 E134 | A131-D133 VanDerWaalsContact C-N 3.33Å; A131-E134 PolarHBondContact O-N 3.47Å |
| 132 | E | 41 | Very low | 45.8 | Very low | 133 Ų | 133 | 86.1 Ų | 86.1 | 62% | 0.621 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.7 | -35.2 | 174.8 | -56.3 | -68.7 | 153.4 | 0 | 0 | 112 | T130 E134 L135 L136 | T130-E132 PolarHBondContact O-N 3.1Å; E132-E134 VanDerWaalsContact C-N 3.25Å; E132-E134 PolarHBondContact O-N 2.92Å; E132-L135 PolarHBondContact O-N 3.3Å; E132-L136 PolarHBondContact O-N 3.46Å |
| 133 | D | 41 | Very low | 43.2 | Very low | 94 Ų | 94 | 96.3 Ų | 96.3 | 50% | 0.503 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.8 | -26.9 | -179.7 | -67.4 | -47.2 | 0 | 0 | 0 | 112.3 | T130 A131 D137 | T130-D133 PolarHBondContact N-OD2 3.34Å; T130-D133 PolarHBondContact O-N 3Å; T130-D133 VanDerWaalsContact O-N 3.1Å; T130-D133 VanDerWaalsContact OG1-CG 3.32Å; T130-D133 PolarHBondContact OG1-OD2 3.41Å; A131-D133 VanDerWaalsContact C-N 3.33Å; D133-D137 PolarHBondContact O-N 2.64Å |
| 134 | E | 38 | Very low | 41.1 | Very low | 153 Ų | 153 | 106 Ų | 106 | 72% | 0.715 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -76.1 | -30.3 | 176.6 | -71.1 | -163.6 | 163.4 | 0 | 0 | 113.1 | A131 E132 L136 | A131-E134 PolarHBondContact O-N 3.47Å; E132-E134 VanDerWaalsContact C-N 3.25Å; E132-E134 PolarHBondContact O-N 2.92Å; E134-L136 VanDerWaalsContact C-N 3.28Å; E134-L136 PolarHBondContact O-N 2.96Å |
| 135 | L | 38.3 | Very low | 38.9 | Very low | 144 Ų | 144 | 107.1 Ų | 107.1 | 75% | 0.754 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -72.3 | -25.6 | 176.4 | -87.2 | 156.6 | 0 | 0 | 0 | 112.1 | E132 | E132-L135 PolarHBondContact O-N 3.3Å |
| 136 | L | 37.2 | Very low | 36.8 | Very low | 148 Ų | 148 | 109.8 Ų | 109.8 | 78% | 0.775 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -97.4 | -19 | -174 | -67.5 | 175.3 | 0 | 0 | 0 | 114.8 | E132 E134 | E132-L136 PolarHBondContact O-N 3.46Å; E134-L136 VanDerWaalsContact C-N 3.28Å; E134-L136 PolarHBondContact O-N 2.96Å |
| 137 | D | 29.6 | Very low | 34.8 | Very low | 97 Ų | 97 | 111.7 Ų | 111.7 | 52% | 0.519 | 62% | 0.616 | S | S | . | * | trans | -110.7 | 61.9 | -173.3 | -157.3 | 7.6 | 0 | 0 | 0 | 114.4 | D133 G139 V140 | D133-D137 PolarHBondContact O-N 2.64Å; D137-G139 VanDerWaalsContact C-N 3.32Å; D137-G139 PolarHBondContact O-N 2.87Å; D137-V140 WeakPolarHBondContact OD1-CG2 3.48Å; D137-V140 PolarHBondContact OD1-N 2.72Å | ||
| 138 | C | 28.2 | Very low | 33.5 | Very low | 133 Ų | 133 | 118.8 Ų | 118.8 | 90% | 0.899 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -79.1 | 78.1 | 156.9 | -80.8 | 0 | 0 | 0 | 0 | 109.6 | ||
| 139 | G | 29.7 | Very low | 32.9 | Very low | 70 Ų | 70 | 120.3 Ų | 120.3 | 72% | 0.722 | 63% | 0.634 | S | S | * | * | S | Bend | trans | 175 | -21.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 119 | D137 | D137-G139 VanDerWaalsContact C-N 3.32Å; D137-G139 PolarHBondContact O-N 2.87Å |
| 140 | V | 30 | Very low | 33.1 | Very low | 105 Ų | 105 | 123.4 Ų | 123.4 | 64% | 0.636 | 64% | 0.635 | S | S | * | * | trans | -96.4 | 118 | -177 | -173.9 | 0 | 0 | 0 | 0 | 111.2 | D137 R142 | D137-V140 WeakPolarHBondContact OD1-CG2 3.48Å; D137-V140 PolarHBondContact OD1-N 2.72Å; V140-R142 VanDerWaalsContact C-N 3.27Å; V140-R142 PolarHBondContact O-N 2.83Å | ||
| 141 | N | 25.5 | Very low | 32.8 | Very low | 163 Ų | 163 | 127.5 Ų | 127.5 | 87% | 0.872 | 65% | 0.653 | S | S | * | * | trans | -54.8 | 85.8 | 169.1 | -90.7 | -8.5 | 0 | 0 | 0 | 110.8 | R143 | N141-R143 PolarHBondContact O-N 3.44Š| ||
| 142 | R | 25.9 | Very low | 32.7 | Very low | 207 Ų | 207 | 128 Ų | 128 | 78% | 0.781 | 65% | 0.654 | S | S | * | * | trans | -69.9 | 125.8 | 175 | -159.6 | 172 | -165.5 | 174.8 | 6.2 | 109.1 | V140 R144 | V140-R142 VanDerWaalsContact C-N 3.27Å; V140-R142 PolarHBondContact O-N 2.83Å; R142-R144 PolarHBondContact O-N 3.48Å | ||
| 143 | R | 26.3 | Very low | 32.9 | Very low | 230 Ų | 230 | 125.9 Ų | 125.9 | 87% | 0.868 | 67% | 0.668 | S | S | * | * | trans | -51.1 | 135.3 | -180 | -71.1 | 173.2 | 175.2 | 158.1 | -2.2 | 111 | N141 S145 | N141-R143 PolarHBondContact O-N 3.44Å; R143-S145 VanDerWaalsContact C-N 3.28Å; R143-S145 PolarHBondContact O-N 2.92Å | ||
| 144 | R | 26.9 | Very low | 33.2 | Very low | 250 Ų | 250 | 125.6 Ų | 125.6 | 94% | 0.943 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | 22.5 | -164.1 | -94.3 | 177.4 | 174.4 | 162 | -2.1 | 119.9 | R142 | R142-R144 PolarHBondContact O-N 3.48Š|
| 145 | S | 29.8 | Very low | 34.2 | Very low | 73 Ų | 73 | 123.5 Ų | 123.5 | 51% | 0.51 | 66% | 0.664 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -107.1 | -5.9 | -173.5 | 51.6 | 0 | 0 | 0 | 0 | 117.4 | R143 | R143-S145 VanDerWaalsContact C-N 3.28Å; R143-S145 PolarHBondContact O-N 2.92Å |
| 146 | S | 36.7 | Very low | 35.3 | Very low | 62 Ų | 62 | 120.6 Ų | 120.6 | 43% | 0.434 | 64% | 0.643 | S | S | . | * | S | Bend | trans | -95.1 | -12.5 | -178.3 | -151.9 | 0 | 0 | 0 | 0 | 115 | ||
| 147 | G | 29.2 | Very low | 36.7 | Very low | 42 Ų | 42 | 117.1 Ų | 117.1 | 43% | 0.433 | 62% | 0.623 | S | S | . | * | S | Bend | trans | -86.3 | -7.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | F150 L151 | G147-F150 PolarHBondContact O-N 3.2Å; G147-L151 PolarHBondContact O-N 2.77Å; G147-L151 VanDerWaalsContact O-N 3.13Å |
| 148 | R | 32.2 | Very low | 39 | Very low | 206 Ų | 206 | 114.5 Ų | 114.5 | 78% | 0.777 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -76.8 | -30.7 | -172.6 | -77.6 | -167.6 | -171.6 | -134.4 | 3.6 | 114.5 | F150 | R148-F150 VanDerWaalsContact C-N 3.35Å |
| 149 | L | 34.9 | Very low | 41.7 | Very low | 57 Ų | 57 | 108.6 Ų | 108.6 | 30% | 0.298 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -73.5 | -28.4 | 170.3 | -74.8 | -177.5 | 0 | 0 | 0 | 111.8 | R156 Q157 | L149-R156 HydrophobicContact CD2-CB 4.12Å; L149-Q157 WeakPolarHBondContact O-CG 3.15Å; L149-Q157 PolarHBondContact O-NE2 3.21Å; L149-Q157 VanDerWaalsContact O-NE2 3.11Å; L149-Q157 PolarHBondContact O-OE1 3.17Å |
| 150 | F | 37.5 | Very low | 44.1 | Very low | 110 Ų | 110 | 106.1 Ų | 106.1 | 48% | 0.482 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -92 | -12.5 | -174.8 | -60.9 | -69.8 | 0 | 0 | 0 | 115.4 | I122 G147 R148 Q157 | I122-F150 HydrophobicContact CG2-CE1 4.31Å; I122-F150 HydrophobicContact CG2-CZ 3.96Å; G147-F150 PolarHBondContact O-N 3.2Å; R148-F150 VanDerWaalsContact C-N 3.35Å; F150-Q157 VanDerWaalsContact C-NE2 3.31Å; F150-Q157 PolarHBondContact O-NE2 3.26Å; F150-Q157 VanDerWaalsContact O-NE2 3.16Å |
| 151 | L | 34.1 | Very low | 46.6 | Very low | 159 Ų | 159 | 101.1 Ų | 101.1 | 83% | 0.832 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -115.4 | 1.8 | -178.4 | -108.5 | 71.9 | 0 | 0 | 0 | 116.1 | G147 | G147-L151 PolarHBondContact O-N 2.77Å; G147-L151 VanDerWaalsContact O-N 3.13Å |
| 152 | S | 34.4 | Very low | 49.5 | Very low | 51 Ų | 51 | 95.6 Ų | 95.6 | 36% | 0.357 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -104.6 | 132.4 | 176.6 | -157.9 | 0 | 0 | 0 | 0 | 109.4 | D154 Q157 | S152-D154 VanDerWaalsContact CB-OD2 3.26Å; S152-D154 WeakPolarHBondContact CB-OD2 3.43Å; S152-D154 PolarHBondContact O-N 2.87Å; S152-D154 PolarHBondContact OG-OD2 2.96Å; S152-Q157 PolarHBondContact O-NE2 3.47Å |
| 153 | G | 44.9 | Very low | 52.2 | Low | 89 Ų | 89 | 85.9 Ų | 85.9 | 92% | 0.918 | 44% | 0.441 | S | S | * | . | trans | -65.7 | 29.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 154 | D | 48.4 | Very low | 54.8 | Low | 88 Ų | 88 | 75.6 Ų | 75.6 | 47% | 0.471 | 40% | 0.403 | S | S | . | . | trans | -78.4 | 138 | 178.5 | -71 | -45.5 | 0 | 0 | 0 | 110.1 | S152 R156 Q157 | S152-D154 VanDerWaalsContact CB-OD2 3.26Å; S152-D154 WeakPolarHBondContact CB-OD2 3.43Å; S152-D154 PolarHBondContact O-N 2.87Å; S152-D154 PolarHBondContact OG-OD2 2.96Å; D154-R156 HydrophobicContact CB-CB 4.4Å; D154-R156 PolarHBondContact O-N 3.26Å; D154-Q157 PolarHBondContact O-N 3.12Å; D154-Q157 VanDerWaalsContact O-N 3.13Å | ||
| 155 | T | 58.1 | Low | 57.3 | Low | 109 Ų | 109 | 64.4 Ų | 64.4 | 67% | 0.669 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -52.2 | -22.3 | 174.5 | 49.1 | 0 | 0 | 0 | 0 | 113.3 | Q157 L158 | T155-Q157 PolarHBondContact O-N 2.95Å; T155-L158 PolarHBondContact O-N 2.94Å; T155-L158 VanDerWaalsContact O-N 3.11Å |
| 156 | R | 62.1 | Low | 59.7 | Low | 84 Ų | 84 | 63.1 Ų | 63.1 | 32% | 0.317 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -56.7 | -25.9 | 176.3 | -66.3 | -177.6 | 165.9 | -162.1 | -7.4 | 114.2 | L149 D154 L158 T159 A163 E166 E167 | L149-R156 HydrophobicContact CD2-CB 4.12Å; D154-R156 HydrophobicContact CB-CB 4.4Å; D154-R156 PolarHBondContact O-N 3.26Å; R156-L158 VanDerWaalsContact C-N 3.29Å; R156-L158 PolarHBondContact O-N 2.87Å; R156-T159 CarbonylContact O-C 2.86Å; R156-T159 PolarHBondContact O-N 3.23Å; R156-A163 HydrophobicContact CB-CB 4.41Å; R156-E166 IonicContact CZ-OE1 2.66Å; R156-E166 IonicContact NH2-OE1 3.97Å; R156-E166 PolarHBondContact NH2-OE1 3.4Å; R156-E166 IonicContact NH2-OE2 3.89Å; R156-E167 IonicContact CZ-OE1 3.75Å; R156-E167 IonicContact NH1-OE1 2.88Å; R156-E167 PolarHBondContact NH1-OE1 3.26Å; R156-E167 VanDerWaalsContact NH1-OE1 3.11Å |
| 157 | Q | 66.7 | Low | 61.5 | Low | 74 Ų | 74 | 63.4 Ų | 63.4 | 35% | 0.346 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -65.1 | -34.1 | 176.6 | -62.9 | -140.8 | 37.4 | 0 | 0 | 113.1 | L149 F150 S152 D154 T155 T159 | L149-Q157 WeakPolarHBondContact O-CG 3.15Å; L149-Q157 PolarHBondContact O-NE2 3.21Å; L149-Q157 VanDerWaalsContact O-NE2 3.11Å; L149-Q157 PolarHBondContact O-OE1 3.17Å; F150-Q157 VanDerWaalsContact C-NE2 3.31Å; F150-Q157 PolarHBondContact O-NE2 3.26Å; F150-Q157 VanDerWaalsContact O-NE2 3.16Å; S152-Q157 PolarHBondContact O-NE2 3.47Å; D154-Q157 PolarHBondContact O-N 3.12Å; D154-Q157 VanDerWaalsContact O-N 3.13Å; T155-Q157 PolarHBondContact O-N 2.95Å; Q157-T159 VanDerWaalsContact C-N 3.32Å |
| 158 | L | 78.2 | Confident | 63.4 | Low | 42 Ų | 42 | 61.6 Ų | 61.6 | 22% | 0.22 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -89.6 | -3.7 | -176.5 | -69.9 | 159.1 | 0 | 0 | 0 | 112.2 | L103 E106 Q107 Q110 T155 R156 | L103-L158 HydrophobicContact CD1-CB 3.48Å; L103-L158 VanDerWaalsContact CD1-CB 3.48Å; L103-L158 HydrophobicContact CD1-CD1 3.62Å; L103-L158 HydrophobicContact CD1-CD2 4.2Å; L103-L158 HydrophobicContact CD1-CG 3.95Å; E106-L158 HydrophobicContact CB-CD2 4.15Å; E106-L158 WeakPolarHBondContact CG-O 3.4Å; Q107-L158 HydrophobicContact CG-CD2 4.28Å; Q110-L158 VanDerWaalsContact NE2-CD2 3.26Å; T155-L158 PolarHBondContact O-N 2.94Å; T155-L158 VanDerWaalsContact O-N 3.11Å; R156-L158 VanDerWaalsContact C-N 3.29Å; R156-L158 PolarHBondContact O-N 2.87Å |
| 159 | T | 83.3 | Confident | 65.1 | Low | 10 Ų | 10 | 57.2 Ų | 57.2 | 6% | 0.061 | 31% | 0.311 | C | S | . | . | trans | -136 | 61.1 | 179.7 | 63.8 | 0 | 0 | 0 | 0 | 111.2 | E99 E102 L103 R156 Q157 R162 A163 | E99-T159 HydrophobicContact CG-CG2 3.84Å; E102-T159 HydrophobicContact CB-CG2 4.48Å; E102-T159 VanDerWaalsContact CD-C 3.5Å; E102-T159 VanDerWaalsContact CD-CA 3.41Å; E102-T159 WeakPolarHBondContact OE2-CA 3.47Å; E102-T159 WeakPolarHBondContact OE2-CB 3.31Å; L103-T159 HydrophobicContact CB-CG2 4.42Å; R156-T159 CarbonylContact O-C 2.86Å; R156-T159 PolarHBondContact O-N 3.23Å; Q157-T159 VanDerWaalsContact C-N 3.32Å; T159-R162 PolarHBondContact O-N 3.47Å; T159-A163 WeakPolarHBondContact O-CB 3.38Å; T159-A163 PolarHBondContact O-N 2.92Å | ||
| 160 | P | 81.1 | Confident | 66.4 | Low | 18 Ų | 18 | 60.4 Ų | 60.4 | 12% | 0.117 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.2 | -39.9 | -172.3 | 25.1 | -35.2 | 0 | 0 | 0 | 114.2 | E102 I122 A163 I164 | E102-P160 WeakPolarHBondContact OE1-CD 3.35Å; E102-P160 WeakPolarHBondContact OE1-CG 3.11Å; E102-P160 VanDerWaalsContact OE1-N 3.14Å; I122-P160 HydrophobicContact CD1-CB 3.9Å; I122-P160 HydrophobicContact CD1-CG 4.07Å; I122-P160 HydrophobicContact CG1-CB 4.1Å; P160-A163 PolarHBondContact O-N 2.87Å; P160-I164 VanDerWaalsContact O-CG1 3.23Å; P160-I164 WeakPolarHBondContact O-CG1 3.19Å; P160-I164 PolarHBondContact O-N 3.39Å |
| 161 | M | 83.5 | Confident | 67 | Low | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.1 | -43.2 | 178.6 | -64 | -56.8 | -63.4 | 0 | 0 | 111.2 | R78 L82 Y85 E102 I122 L126 A163 I164 I165 I221 L225 | R78-M161 HydrophobicContact CB-CE 4.39Å; R78-M161 HydrophobicContact CB-CG 3.96Å; R78-M161 HydrophobicContact CB-SD 4.01Å; R78-M161 HydrophobicContact CG-CG 3.84Å; R78-M161 HydrophobicContact CG-SD 4.18Å; L82-M161 HydrophobicContact CB-CE 3.77Å; L82-M161 HydrophobicContact CD1-CE 4.16Å; L82-M161 HydrophobicContact CD2-CE 4.1Å; L82-M161 HydrophobicContact CG-CE 4.24Å; Y85-M161 HydrophobicContact CE2-CB 4.37Å; E102-M161 WeakPolarHBondContact OE1-CA 3.44Å; E102-M161 WeakPolarHBondContact OE1-CB 3.38Å; E102-M161 WeakPolarHBondContact OE1-CG 3.29Å; E102-M161 PolarHBondContact OE1-N 3.39Å; I122-M161 HydrophobicContact CD1-SD 4.24Å; L126-M161 HydrophobicContact CD1-SD 4.21Å; M161-A163 VanDerWaalsContact C-N 3.33Å; M161-A163 PolarHBondContact O-N 3.3Å; M161-I164 PolarHBondContact O-N 3.1Å; M161-I164 HydrophobicContact SD-CD1 4.43Å; M161-I165 WeakPolarHBondContact O-CG1 3.17Å; M161-I165 PolarHBondContact O-N 3.24Å; M161-I165 VanDerWaalsContact O-N 3.16Å; M161-I221 HydrophobicContact CE-CG2 4.13Å; M161-L225 HydrophobicContact CE-CD1 3.83Å |
| 162 | R | 85 | Confident | 67.6 | Low | 46 Ų | 46 | 56.5 Ų | 56.5 | 17% | 0.174 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -55.9 | -50 | 170.6 | -177 | -172.7 | 168 | 116 | -9.9 | 111 | Y85 I90 E99 E102 T159 I164 I165 E166 | Y85-R162 HydrophobicContact CE1-CB 4.38Å; Y85-R162 HydrophobicContact CE1-CG 4.36Å; Y85-R162 HydrophobicContact CE2-CB 4.05Å; I90-R162 HydrophobicContact CG2-CG 3.71Å; E99-R162 IonicContact OE1-CZ 3.51Å; E99-R162 IonicContact OE1-NE 3.6Å; E99-R162 IonicContact OE1-NH1 3.58Å; E99-R162 IonicContact OE2-CZ 3.35Å; E99-R162 IonicContact OE2-NH1 2.66Å; E99-R162 PolarHBondContact OE2-NH1 3.06Å; E99-R162 IonicContact OE2-NH2 3.95Å; E102-R162 PolarHBondContact OE2-N 2.74Å; T159-R162 PolarHBondContact O-N 3.47Å; R162-I164 VanDerWaalsContact C-N 3.34Å; R162-I164 PolarHBondContact O-N 3.41Å; R162-I165 PolarHBondContact O-N 2.94Å; R162-E166 WeakPolarHBondContact O-CB 3.3Å; R162-E166 PolarHBondContact O-N 2.89Å |
| 163 | A | 82.4 | Confident | 67.7 | Low | 4 Ų | 4 | 60.1 Ų | 60.1 | 3% | 0.033 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.5 | -40.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R156 T159 P160 M161 I165 E166 E167 | R156-A163 HydrophobicContact CB-CB 4.41Å; T159-A163 WeakPolarHBondContact O-CB 3.38Å; T159-A163 PolarHBondContact O-N 2.92Å; P160-A163 PolarHBondContact O-N 2.87Å; M161-A163 VanDerWaalsContact C-N 3.33Å; M161-A163 PolarHBondContact O-N 3.3Å; A163-I165 PolarHBondContact O-N 2.98Å; A163-E166 PolarHBondContact O-N 3.41Å; A163-E167 WeakPolarHBondContact O-CB 3.18Å; A163-E167 WeakPolarHBondContact O-CG 3.09Å; A163-E167 PolarHBondContact O-N 3.3Å |
| 164 | I | 80.5 | Confident | 67.4 | Low | 13 Ų | 13 | 62.3 Ų | 62.3 | 7% | 0.067 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 177.9 | -70.5 | 163.4 | 0 | 0 | 0 | 111.2 | I122 L126 P160 M161 R162 L168 L184 I221 | I122-I164 HydrophobicContact CD1-CD1 4.45Å; L126-I164 HydrophobicContact CD1-CD1 3.55Å; P160-I164 VanDerWaalsContact O-CG1 3.23Å; P160-I164 WeakPolarHBondContact O-CG1 3.19Å; P160-I164 PolarHBondContact O-N 3.39Å; M161-I164 PolarHBondContact O-N 3.1Å; M161-I164 HydrophobicContact SD-CD1 4.43Å; R162-I164 VanDerWaalsContact C-N 3.34Å; R162-I164 PolarHBondContact O-N 3.41Å; I164-L168 HydrophobicContact CG2-CD1 4.19Å; I164-L168 VanDerWaalsContact O-CG 3.3Å; I164-L168 WeakPolarHBondContact O-CG 2.76Å; I164-L168 PolarHBondContact O-N 3Å; I164-L184 HydrophobicContact CG1-CD1 4.17Å; I164-I221 HydrophobicContact CG2-CD1 3.57Å |
| 165 | I | 80.6 | Confident | 66.9 | Low | 16 Ų | 16 | 61.8 Ų | 61.8 | 8% | 0.082 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -72.5 | -39.2 | -179.4 | -60.1 | 166.1 | 0 | 0 | 0 | 110.8 | L82 Y85 I90 M161 R162 A163 E167 L168 E169 | L82-I165 HydrophobicContact CD1-CD1 3.35Å; L82-I165 HydrophobicContact CD1-CG1 3.68Å; Y85-I165 HydrophobicContact CD2-CD1 3.52Å; Y85-I165 HydrophobicContact CG-CD1 3.73Å; I90-I165 HydrophobicContact CD1-CB 4.01Å; I90-I165 HydrophobicContact CD1-CG2 3.74Å; I90-I165 HydrophobicContact CG1-CG2 4.18Å; M161-I165 WeakPolarHBondContact O-CG1 3.17Å; M161-I165 PolarHBondContact O-N 3.24Å; M161-I165 VanDerWaalsContact O-N 3.16Å; R162-I165 PolarHBondContact O-N 2.94Å; A163-I165 PolarHBondContact O-N 2.98Å; I165-E167 VanDerWaalsContact C-N 3.32Å; I165-E167 PolarHBondContact O-N 2.9Å; I165-L168 PolarHBondContact O-N 2.66Å; I165-E169 PolarHBondContact O-N 3.37Å |
| 166 | E | 80.4 | Confident | 65.8 | Low | 46 Ų | 46 | 60.9 Ų | 60.9 | 22% | 0.215 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.2 | -47.4 | 175 | -171 | -177.5 | 165.7 | 0 | 0 | 110 | I90 R156 R162 A163 L168 E169 H170 | I90-E166 HydrophobicContact CD1-CB 3.87Å; R156-E166 IonicContact CZ-OE1 2.66Å; R156-E166 IonicContact NH2-OE1 3.97Å; R156-E166 PolarHBondContact NH2-OE1 3.4Å; R156-E166 IonicContact NH2-OE2 3.89Å; R162-E166 WeakPolarHBondContact O-CB 3.3Å; R162-E166 PolarHBondContact O-N 2.89Å; A163-E166 PolarHBondContact O-N 3.41Å; E166-L168 PolarHBondContact O-N 2.79Å; E166-E169 PolarHBondContact O-N 2.7Å; E166-H170 PolarHBondContact O-N 3.48Å; E166-H170 VanDerWaalsContact O-N 3.12Å; E166-H170 PolarHBondContact O-ND1 3.43Å |
| 167 | E | 73.9 | Confident | 64.4 | Low | 68 Ų | 68 | 60.2 Ų | 60.2 | 32% | 0.318 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.3 | -40.4 | 177.1 | -67.3 | -69.7 | 143.7 | 0 | 0 | 111.7 | R156 A163 I165 E169 H170 V171 A181 | R156-E167 IonicContact CZ-OE1 3.75Å; R156-E167 IonicContact NH1-OE1 2.88Å; R156-E167 PolarHBondContact NH1-OE1 3.26Å; R156-E167 VanDerWaalsContact NH1-OE1 3.11Å; A163-E167 WeakPolarHBondContact O-CB 3.18Å; A163-E167 WeakPolarHBondContact O-CG 3.09Å; A163-E167 PolarHBondContact O-N 3.3Å; I165-E167 VanDerWaalsContact C-N 3.32Å; I165-E167 PolarHBondContact O-N 2.9Å; E167-E169 VanDerWaalsContact C-N 3.34Å; E167-E169 PolarHBondContact O-N 3.35Å; E167-H170 PolarHBondContact O-N 2.92Å; E167-V171 WeakPolarHBondContact O-CG2 3.33Å; E167-V171 PolarHBondContact O-N 2.81Å; E167-A181 HydrophobicContact CB-CB 4.3Å |
| 168 | L | 69.3 | Low | 62.7 | Low | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.021 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.9 | -33.5 | 176.1 | -75 | 175 | 0 | 0 | 0 | 113.4 | I164 I165 E166 A181 I185 N217 V218 I221 | I164-L168 HydrophobicContact CG2-CD1 4.19Å; I164-L168 VanDerWaalsContact O-CG 3.3Å; I164-L168 WeakPolarHBondContact O-CG 2.76Å; I164-L168 PolarHBondContact O-N 3Å; I165-L168 PolarHBondContact O-N 2.66Å; E166-L168 PolarHBondContact O-N 2.79Å; L168-A181 HydrophobicContact CD2-CB 3.9Å; L168-A181 HydrophobicContact CG-CB 4.17Å; L168-I185 HydrophobicContact CD2-CD1 3.84Å; L168-N217 HydrophobicContact CD1-CB 4.18Å; L168-N217 HydrophobicContact CD2-CB 3.75Å; L168-V218 HydrophobicContact CD1-CG2 4.15Å; L168-I221 HydrophobicContact CD1-CD1 3.76Å |
| 169 | E | 68.4 | Low | 60.8 | Low | 113 Ų | 113 | 59 Ų | 59 | 53% | 0.528 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -71.1 | -32.6 | 175.6 | -170.9 | 176.5 | -178.2 | 0 | 0 | 111.8 | I165 E166 E167 | I165-E169 PolarHBondContact O-N 3.37Å; E166-E169 PolarHBondContact O-N 2.7Å; E167-E169 VanDerWaalsContact C-N 3.34Å; E167-E169 PolarHBondContact O-N 3.35Å |
| 170 | H | 61.5 | Low | 58.7 | Low | 125 Ų | 125 | 60.9 Ų | 60.9 | 58% | 0.579 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -91.6 | 0.8 | -176.1 | -66.8 | 77.6 | 0 | 0 | 0 | 114.6 | E166 E167 T172 | E166-H170 PolarHBondContact O-N 3.48Å; E166-H170 VanDerWaalsContact O-N 3.12Å; E166-H170 PolarHBondContact O-ND1 3.43Å; E167-H170 PolarHBondContact O-N 2.92Å; H170-T172 VanDerWaalsContact C-N 3.29Å; H170-T172 PolarHBondContact O-N 2.98Å |
| 171 | V | 51 | Low | 56.7 | Low | 86 Ų | 86 | 60.2 Ų | 60.2 | 52% | 0.521 | 38% | 0.38 | S | S | . | . | trans | -75.8 | 77.9 | 170.7 | -169.4 | 0 | 0 | 0 | 0 | 110.1 | E167 | E167-V171 WeakPolarHBondContact O-CG2 3.33Å; E167-V171 PolarHBondContact O-N 2.81Å | ||
| 172 | T | 46.1 | Very low | 54.5 | Low | 101 Ų | 101 | 61.3 Ų | 61.3 | 62% | 0.62 | 39% | 0.388 | S | S | * | . | trans | -102.6 | 7.6 | -179.7 | 54.8 | 0 | 0 | 0 | 0 | 114.7 | H170 | H170-T172 VanDerWaalsContact C-N 3.29Å; H170-T172 PolarHBondContact O-N 2.98Å | ||
| 173 | H | 35.6 | Very low | 52.5 | Low | 127 Ų | 127 | 62.6 Ų | 62.6 | 59% | 0.588 | 40% | 0.404 | S | S | * | . | trans | -134.1 | 117.5 | -178.9 | -63.1 | -44.3 | 0 | 0 | 0 | 112.8 | G175 S176 | H173-G175 PolarHBondContact O-N 3.33Å; H173-S176 PolarHBondContact O-N 3.01Å | ||
| 174 | P | 39.1 | Very low | 50.4 | Low | 135 Ų | 135 | 63.8 Ų | 63.8 | 88% | 0.877 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | 20.1 | 177.2 | 29.1 | -33.3 | 0 | 0 | 0 | 114.3 | ||
| 175 | G | 38.7 | Very low | 48.5 | Very low | 76 Ų | 76 | 63.5 Ų | 63.5 | 78% | 0.784 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.6 | 2.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | H173 G177 | H173-G175 PolarHBondContact O-N 3.33Å; G175-G177 PolarHBondContact O-N 3.35Å |
| 176 | S | 34.3 | Very low | 46.4 | Very low | 91 Ų | 91 | 65 Ų | 65 | 64% | 0.636 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -85.9 | 114 | 175.2 | -167 | 0 | 0 | 0 | 0 | 108.7 | H173 G178 | H173-S176 PolarHBondContact O-N 3.01Å; S176-G178 PolarHBondContact O-N 2.94Å |
| 177 | G | 31.9 | Very low | 44.1 | Very low | 70 Ų | 70 | 68.1 Ų | 68.1 | 72% | 0.722 | 44% | 0.439 | S | S | * | . | trans | -55.2 | 133.4 | -165.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | G175 G179 | G175-G177 PolarHBondContact O-N 3.35Å; G177-G179 PolarHBondContact O-N 3.47Å | ||
| 178 | G | 33 | Very low | 41.8 | Very low | 59 Ų | 59 | 69.8 Ų | 69.8 | 61% | 0.608 | 46% | 0.458 | S | S | * | . | trans | 48.6 | 47.1 | 147 | 0 | 0 | 0 | 0 | 0 | 116.5 | S176 I180 | S176-G178 PolarHBondContact O-N 2.94Å; G178-I180 PolarHBondContact O-N 3.12Å | ||
| 179 | G | 38.2 | Very low | 39.8 | Very low | 30 Ų | 30 | 75.5 Ų | 75.5 | 31% | 0.309 | 49% | 0.487 | S | S | . | . | trans | -53.7 | 132.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | G177 A181 A182 | G177-G179 PolarHBondContact O-N 3.47Å; G179-A181 PolarHBondContact O-N 2.82Å; G179-A181 VanDerWaalsContact O-N 3.13Å; G179-A182 WeakPolarHBondContact O-CB 3.44Å; G179-A182 PolarHBondContact O-N 3.09Å | ||
| 180 | I | 38.3 | Very low | 37.8 | Very low | 51 Ų | 51 | 76 Ų | 76 | 26% | 0.262 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.4 | -31.7 | -171.1 | -59.1 | 165.9 | 0 | 0 | 0 | 110.2 | G178 A182 S183 L184 | G178-I180 PolarHBondContact O-N 3.12Å; I180-A182 PolarHBondContact O-N 3.36Å; I180-S183 CarbonylContact O-C 3.6Å; I180-S183 WeakPolarHBondContact O-CA 3.49Å; I180-S183 WeakPolarHBondContact O-CB 3.3Å; I180-S183 PolarHBondContact O-N 2.85Å; I180-L184 HydrophobicContact CG2-CD1 4.08Å; I180-L184 HydrophobicContact CG2-CD2 4.29Å; I180-L184 HydrophobicContact CG2-CG 3.91Å; I180-L184 WeakPolarHBondContact O-CB 3.16Å; I180-L184 VanDerWaalsContact O-CG 3.24Å; I180-L184 WeakPolarHBondContact O-CG 3.47Å; I180-L184 PolarHBondContact O-N 2.93Å |
| 181 | A | 38.6 | Very low | 36 | Very low | 4 Ų | 4 | 74.3 Ų | 74.3 | 3% | 0.033 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -51.2 | -39.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113 | E167 L168 G179 L184 I185 | E167-A181 HydrophobicContact CB-CB 4.3Å; L168-A181 HydrophobicContact CD2-CB 3.9Å; L168-A181 HydrophobicContact CG-CB 4.17Å; G179-A181 PolarHBondContact O-N 2.82Å; G179-A181 VanDerWaalsContact O-N 3.13Å; A181-L184 WeakPolarHBondContact O-CB 3.15Å; A181-L184 PolarHBondContact O-N 3.33Å; A181-I185 WeakPolarHBondContact O-CB 3.19Å; A181-I185 WeakPolarHBondContact O-CD1 3.5Å; A181-I185 WeakPolarHBondContact O-CG1 3.48Å; A181-I185 PolarHBondContact O-N 3.45Å |
| 182 | A | 38.1 | Very low | 34.6 | Very low | 22 Ų | 22 | 78.3 Ų | 78.3 | 18% | 0.182 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -70.8 | -30.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | G179 I180 S186 | G179-A182 WeakPolarHBondContact O-CB 3.44Å; G179-A182 PolarHBondContact O-N 3.09Å; I180-A182 PolarHBondContact O-N 3.36Å; A182-S186 WeakPolarHBondContact O-CB 3.13Å; A182-S186 PolarHBondContact O-N 3.47Å; A182-S186 PolarHBondContact O-OG 3.07Å |
| 183 | S | 43.2 | Very low | 33.6 | Very low | 73 Ų | 73 | 80.1 Ų | 80.1 | 51% | 0.51 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -74.2 | -29.9 | 169.2 | -92.7 | 0 | 0 | 0 | 0 | 113.3 | I180 S186 | I180-S183 CarbonylContact O-C 3.6Å; I180-S183 WeakPolarHBondContact O-CA 3.49Å; I180-S183 WeakPolarHBondContact O-CB 3.3Å; I180-S183 PolarHBondContact O-N 2.85Å; S183-S186 WeakPolarHBondContact O-CB 3.11Å |
| 184 | L | 38.2 | Very low | 33 | Very low | 30 Ų | 30 | 79.7 Ų | 79.7 | 16% | 0.157 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -70.9 | -42.4 | 173.7 | -68.2 | 177.6 | 0 | 0 | 0 | 109.7 | F128 I164 I180 A181 S186 R224 | F128-L184 HydrophobicContact CD1-CB 4.14Å; F128-L184 HydrophobicContact CD1-CD2 3.86Å; F128-L184 WeakPolarHBondContact CD1-O 3.3Å; F128-L184 HydrophobicContact CD2-CD2 3.99Å; F128-L184 VanDerWaalsContact CE1-C 3.48Å; F128-L184 VanDerWaalsContact CE1-CA 3.42Å; F128-L184 HydrophobicContact CE1-CB 3.32Å; F128-L184 HydrophobicContact CE1-CD2 3.65Å; F128-L184 HydrophobicContact CE1-CG 3.97Å; F128-L184 WeakPolarHBondContact CE1-O 3.43Å; F128-L184 HydrophobicContact CE2-CD2 3.74Å; F128-L184 HydrophobicContact CE2-CG 4.47Å; F128-L184 HydrophobicContact CG-CD2 4.08Å; F128-L184 HydrophobicContact CZ-CB 3.57Å; F128-L184 HydrophobicContact CZ-CD1 4.13Å; F128-L184 HydrophobicContact CZ-CD2 3.59Å; F128-L184 HydrophobicContact CZ-CG 3.9Å; I164-L184 HydrophobicContact CG1-CD1 4.17Å; I180-L184 HydrophobicContact CG2-CD1 4.08Å; I180-L184 HydrophobicContact CG2-CD2 4.29Å; I180-L184 HydrophobicContact CG2-CG 3.91Å; I180-L184 WeakPolarHBondContact O-CB 3.16Å; I180-L184 VanDerWaalsContact O-CG 3.24Å; I180-L184 WeakPolarHBondContact O-CG 3.47Å; I180-L184 PolarHBondContact O-N 2.93Å; A181-L184 WeakPolarHBondContact O-CB 3.15Å; A181-L184 PolarHBondContact O-N 3.33Å; L184-S186 VanDerWaalsContact C-N 3.33Å; L184-R224 PolarHBondContact O-NH1 2.97Å |
| 185 | I | 40.6 | Very low | 32.2 | Very low | 6 Ų | 6 | 80.8 Ų | 80.8 | 3% | 0.031 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -81.3 | -17 | 179.9 | -60.5 | 162.2 | 0 | 0 | 0 | 111.6 | L168 A181 N187 T209 N217 L220 R224 | L168-I185 HydrophobicContact CD2-CD1 3.84Å; A181-I185 WeakPolarHBondContact O-CB 3.19Å; A181-I185 WeakPolarHBondContact O-CD1 3.5Å; A181-I185 WeakPolarHBondContact O-CG1 3.48Å; A181-I185 PolarHBondContact O-N 3.45Å; I185-N187 PolarHBondContact O-N 2.79Å; I185-T209 HydrophobicContact CG2-CG2 4.46Å; I185-N217 HydrophobicContact CD1-CB 3.67Å; I185-L220 HydrophobicContact CG2-CD1 3.55Å; I185-R224 PolarHBondContact O-NH2 2.84Å; I185-R224 VanDerWaalsContact O-NH2 3.14Å |
| 186 | S | 34.9 | Very low | 31.5 | Very low | 48 Ų | 48 | 81.6 Ų | 81.6 | 34% | 0.336 | 52% | 0.518 | S | S | . | . | trans | -48.8 | 116.2 | 173.7 | -76.6 | 0 | 0 | 0 | 0 | 109.7 | A182 S183 L184 S188 | A182-S186 WeakPolarHBondContact O-CB 3.13Å; A182-S186 PolarHBondContact O-N 3.47Å; A182-S186 PolarHBondContact O-OG 3.07Å; S183-S186 WeakPolarHBondContact O-CB 3.11Å; L184-S186 VanDerWaalsContact C-N 3.33Å; S186-S188 PolarHBondContact O-N 2.95Å | ||
| 187 | N | 33.3 | Very low | 30.9 | Very low | 112 Ų | 112 | 82.9 Ų | 82.9 | 60% | 0.599 | 53% | 0.527 | S | S | * | . | trans | -60.5 | 88.6 | 160.2 | -66.8 | -25.6 | 0 | 0 | 0 | 105.4 | I185 I189 | I185-N187 PolarHBondContact O-N 2.79Å; N187-I189 HydrophobicContact CB-CG1 4.23Å; N187-I189 PolarHBondContact O-N 2.85Å | ||
| 188 | S | 25.5 | Very low | 30.6 | Very low | 103 Ų | 103 | 86.9 Ų | 86.9 | 72% | 0.72 | 53% | 0.532 | S | S | * | . | trans | -66.5 | 79.5 | 158.2 | -174.2 | 0 | 0 | 0 | 0 | 105.5 | S186 D190 | S186-S188 PolarHBondContact O-N 2.95Å; S188-D190 PolarHBondContact O-N 2.81Å | ||
| 189 | I | 27.8 | Very low | 30.1 | Very low | 124 Ų | 124 | 91.8 Ų | 91.8 | 64% | 0.636 | 54% | 0.539 | S | S | * | . | trans | -54.1 | 122 | 156.9 | -65.4 | 168.6 | 0 | 0 | 0 | 104.4 | N187 S191 | N187-I189 HydrophobicContact CB-CG1 4.23Å; N187-I189 PolarHBondContact O-N 2.85Å; I189-S191 WeakPolarHBondContact O-CB 3.37Å; I189-S191 PolarHBondContact O-N 2.86Å; I189-S191 PolarHBondContact O-OG 2.86Å | ||
| 190 | D | 24.8 | Very low | 29.5 | Very low | 123 Ų | 123 | 98.4 Ų | 98.4 | 66% | 0.658 | 56% | 0.562 | S | S | * | * | trans | -47.9 | 86.3 | 168.9 | -67.4 | -45.3 | 0 | 0 | 0 | 110.1 | S188 N192 | S188-D190 PolarHBondContact O-N 2.81Å; D190-N192 PolarHBondContact O-N 3.01Å | ||
| 191 | S | 24.4 | Very low | 28.7 | Very low | 90 Ų | 90 | 105.7 Ų | 105.7 | 63% | 0.629 | 60% | 0.595 | S | S | * | * | trans | -105 | 64.1 | -179.6 | -58.5 | 0 | 0 | 0 | 0 | 106.8 | I189 N193 | I189-S191 WeakPolarHBondContact O-CB 3.37Å; I189-S191 PolarHBondContact O-N 2.86Å; I189-S191 PolarHBondContact O-OG 2.86Å; S191-N193 PolarHBondContact O-N 3.5Å | ||
| 192 | N | 22.6 | Very low | 27.9 | Very low | 169 Ų | 169 | 111.1 Ų | 111.1 | 90% | 0.904 | 63% | 0.633 | S | S | * | * | trans | -72.8 | 59.7 | 155.4 | -81 | -17.9 | 0 | 0 | 0 | 108.7 | D190 | D190-N192 PolarHBondContact O-N 3.01Š| ||
| 193 | N | 24.5 | Very low | 27.2 | Very low | 140 Ų | 140 | 113.1 Ų | 113.1 | 75% | 0.749 | 65% | 0.65 | S | S | * | * | trans | -112.3 | 94.9 | 164.9 | -114.5 | -11.3 | 0 | 0 | 0 | 107.1 | S191 M195 | S191-N193 PolarHBondContact O-N 3.5Å; N193-M195 PolarHBondContact O-N 3.46Å | ||
| 194 | S | 22.1 | Very low | 26.3 | Very low | 118 Ų | 118 | 115.6 Ų | 115.6 | 83% | 0.825 | 66% | 0.662 | S | S | * | * | trans | -55.9 | 83.4 | 155.4 | 150.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 195 | M | 23.5 | Very low | 25.8 | Very low | 158 Ų | 158 | 120.9 Ų | 120.9 | 78% | 0.778 | 70% | 0.695 | S | S | * | * | trans | -85.7 | 120.7 | 168 | -114.2 | -78.7 | 123.9 | 0 | 0 | 107.6 | N193 | N193-M195 PolarHBondContact O-N 3.46Š| ||
| 196 | P | 24 | Very low | 25.2 | Very low | 92 Ų | 92 | 125 Ų | 125 | 60% | 0.597 | 72% | 0.721 | S | S | * | * | trans | -67.1 | 139.9 | -178.1 | 27 | -31.7 | 0 | 0 | 0 | 110.3 | N198 | P196-N198 PolarHBondContact O-N 2.86Š| ||
| 197 | S | 21.4 | Very low | 24.9 | Very low | 119 Ų | 119 | 126.3 Ų | 126.3 | 83% | 0.832 | 72% | 0.724 | S | S | * | * | trans | -36.2 | 107.5 | 170.1 | 52.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 198 | N | 24.4 | Very low | 25.1 | Very low | 153 Ų | 153 | 127.5 Ų | 127.5 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | trans | -143.8 | 144.6 | 148.8 | -142.3 | -0.3 | 0 | 0 | 0 | 111.1 | P196 | P196-N198 PolarHBondContact O-N 2.86Š| ||
| 199 | Q | 24.4 | Very low | 25.9 | Very low | 162 Ų | 162 | 123.6 Ų | 123.6 | 76% | 0.757 | 70% | 0.701 | S | S | * | * | trans | -66.3 | 150.5 | -159.7 | -67.2 | 163.5 | -15.6 | 0 | 0 | 113.5 | ||||
| 200 | Q | 24 | Very low | 26.8 | Very low | 170 Ų | 170 | 121.7 Ų | 121.7 | 79% | 0.794 | 69% | 0.692 | S | S | * | * | trans | 60.4 | 79.1 | 154.1 | -71.2 | 164.3 | -4.1 | 0 | 0 | 116.8 | ||||
| 201 | Q | 22.3 | Very low | 27.9 | Very low | 204 Ų | 204 | 121.9 Ų | 121.9 | 95% | 0.953 | 69% | 0.693 | S | S | * | * | trans | -155.8 | 87 | 147.6 | -109.3 | 164.3 | 74.2 | 0 | 0 | 108.4 | ||||
| 202 | S | 21.9 | Very low | 29.7 | Very low | 117 Ų | 117 | 119.9 Ų | 119.9 | 82% | 0.818 | 68% | 0.675 | S | S | * | * | trans | -90.8 | 136.3 | -179.4 | -60.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 203 | A | 23.3 | Very low | 32.2 | Very low | 65 Ų | 65 | 114.6 Ų | 114.6 | 54% | 0.537 | 65% | 0.651 | S | S | . | * | S | Bend | trans | 109.7 | 18.6 | 150.5 | 0 | 0 | 0 | 0 | 0 | 121.8 | N207 | A203-N207 PolarHBondContact O-ND2 3.44Š|
| 204 | T | 25.4 | Very low | 34.4 | Very low | 125 Ų | 125 | 112 Ų | 112 | 77% | 0.767 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -104.3 | -21.5 | 177.5 | -20.8 | 0 | 0 | 0 | 0 | 116.4 | ||
| 205 | T | 26.6 | Very low | 36.9 | Very low | 140 Ų | 140 | 109.2 Ų | 109.2 | 86% | 0.859 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -19.3 | -174.4 | -37.7 | 0 | 0 | 0 | 0 | 114.2 | ||
| 206 | T | 28 | Very low | 39.4 | Very low | 94 Ų | 94 | 106.6 Ų | 106.6 | 58% | 0.577 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -3 | -179.5 | 45 | 0 | 0 | 0 | 0 | 114.7 | ||
| 207 | N | 27.9 | Very low | 41.9 | Very low | 74 Ų | 74 | 103 Ų | 103 | 40% | 0.396 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -92.1 | -8.7 | -169.5 | -76.2 | -2.7 | 0 | 0 | 0 | 115.3 | A203 N211 | A203-N207 PolarHBondContact O-ND2 3.44Å; N207-N211 PolarHBondContact O-ND2 2.87Å; N207-N211 VanDerWaalsContact O-ND2 3.1Å |
| 208 | I | 37.8 | Very low | 44.7 | Very low | 137 Ų | 137 | 97.8 Ų | 97.8 | 70% | 0.703 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -73.5 | -39.9 | -177.7 | -57.6 | 176.6 | 0 | 0 | 0 | 110.8 | ||
| 209 | T | 43.9 | Very low | 47.1 | Very low | 22 Ų | 22 | 92 Ų | 92 | 14% | 0.135 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -74.1 | -32 | 179.4 | 42.8 | 0 | 0 | 0 | 0 | 113.6 | I185 N211 L212 | I185-T209 HydrophobicContact CG2-CG2 4.46Å; T209-N211 PolarHBondContact O-N 3.2Å; T209-L212 HydrophobicContact CG2-CD1 4.24Å; T209-L212 PolarHBondContact O-N 2.84Å |
| 210 | N | 45.3 | Very low | 49.6 | Very low | 84 Ų | 84 | 87 Ų | 87 | 45% | 0.449 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.2 | -13.7 | -179 | -67 | -6.5 | 0 | 0 | 0 | 113.1 | ||
| 211 | N | 48.4 | Very low | 52.3 | Low | 126 Ų | 126 | 79.3 Ų | 79.3 | 67% | 0.674 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | 0.1 | -179.9 | -71.2 | -32.3 | 0 | 0 | 0 | 113.7 | N207 T209 | N207-N211 PolarHBondContact O-ND2 2.87Å; N207-N211 VanDerWaalsContact O-ND2 3.1Å; T209-N211 PolarHBondContact O-N 3.2Å |
| 212 | L | 62.3 | Low | 55.1 | Low | 49 Ų | 49 | 70.2 Ų | 70.2 | 26% | 0.257 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -70.6 | 135.2 | 175.3 | -73.2 | 154.8 | 0 | 0 | 0 | 109.5 | T209 E216 N217 L220 | T209-L212 HydrophobicContact CG2-CD1 4.24Å; T209-L212 PolarHBondContact O-N 2.84Å; L212-E216 VanDerWaalsContact CA-OE2 3.29Å; L212-E216 WeakPolarHBondContact CA-OE2 3.49Å; L212-E216 HydrophobicContact CB-CB 4.19Å; L212-E216 HydrophobicContact CD2-CB 3.76Å; L212-E216 HydrophobicContact CD2-CG 4.44Å; L212-E216 WeakPolarHBondContact CD2-OE2 3.38Å; L212-N217 WeakPolarHBondContact CB-OD1 3.35Å; L212-N217 WeakPolarHBondContact CD1-OD1 3.22Å; L212-L220 HydrophobicContact CD1-CD1 3.96Å |
| 213 | S | 74.1 | Confident | 57.6 | Low | 58 Ų | 58 | 66.3 Ų | 66.3 | 41% | 0.406 | 39% | 0.388 | S | S | . | . | trans | -58.4 | 152.1 | 169 | -174.1 | 0 | 0 | 0 | 0 | 110.3 | D215 E216 N217 | S213-D215 PolarHBondContact O-N 3.24Å; S213-E216 PolarHBondContact N-OE2 2.75Å; S213-E216 WeakPolarHBondContact O-CA 3.42Å; S213-E216 WeakPolarHBondContact O-CB 3.4Å; S213-E216 PolarHBondContact O-N 3.36Å; S213-N217 PolarHBondContact O-N 2.78Å | ||
| 214 | I | 72.2 | Confident | 60.3 | Low | 85 Ų | 85 | 65.6 Ų | 65.6 | 44% | 0.436 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -52.1 | -41.6 | 173.6 | -60.7 | 170.8 | 0 | 0 | 0 | 110.3 | E216 N217 V218 | I214-E216 VanDerWaalsContact C-N 3.3Å; I214-E216 PolarHBondContact O-N 3.08Å; I214-N217 PolarHBondContact O-N 3.32Å; I214-V218 WeakPolarHBondContact O-CG2 3.3Å; I214-V218 PolarHBondContact O-N 3.04Å |
| 215 | D | 74.5 | Confident | 63 | Low | 59 Ų | 59 | 59.6 Ų | 59.6 | 32% | 0.316 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.6 | -36.9 | 176.7 | -80.1 | -34.9 | 0 | 0 | 0 | 112.7 | K46 R86 S213 G219 | K46-D215 IonicContact NZ-OD2 3.64Å; K46-D215 PolarHBondContact NZ-OD2 3.13Å; R86-D215 IonicContact NH2-OD1 3.43Å; S213-D215 PolarHBondContact O-N 3.24Å; D215-G219 PolarHBondContact O-N 2.97Å |
| 216 | E | 75.9 | Confident | 65.6 | Low | 103 Ų | 103 | 53.1 Ų | 53.1 | 48% | 0.481 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -74.8 | -40.7 | 179.5 | -64.7 | 172.4 | 146.6 | 0 | 0 | 111.1 | L212 S213 I214 G219 L220 | L212-E216 VanDerWaalsContact CA-OE2 3.29Å; L212-E216 WeakPolarHBondContact CA-OE2 3.49Å; L212-E216 HydrophobicContact CB-CB 4.19Å; L212-E216 HydrophobicContact CD2-CB 3.76Å; L212-E216 HydrophobicContact CD2-CG 4.44Å; L212-E216 WeakPolarHBondContact CD2-OE2 3.38Å; S213-E216 PolarHBondContact N-OE2 2.75Å; S213-E216 WeakPolarHBondContact O-CA 3.42Å; S213-E216 WeakPolarHBondContact O-CB 3.4Å; S213-E216 PolarHBondContact O-N 3.36Å; I214-E216 VanDerWaalsContact C-N 3.3Å; I214-E216 PolarHBondContact O-N 3.08Å; E216-G219 CarbonylContact O-C 3.5Å; E216-G219 WeakPolarHBondContact O-CA 3.27Å; E216-G219 PolarHBondContact O-N 3.17Å; E216-L220 WeakPolarHBondContact O-CG 3.15Å; E216-L220 PolarHBondContact O-N 3.43Å |
| 217 | N | 77.1 | Confident | 68 | Low | 17 Ų | 17 | 51.3 Ų | 51.3 | 9% | 0.091 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 174.1 | -77.9 | -27 | 0 | 0 | 0 | 111.7 | L168 I185 L212 S213 I214 G219 L220 I221 | L168-N217 HydrophobicContact CD1-CB 4.18Å; L168-N217 HydrophobicContact CD2-CB 3.75Å; I185-N217 HydrophobicContact CD1-CB 3.67Å; L212-N217 WeakPolarHBondContact CB-OD1 3.35Å; L212-N217 WeakPolarHBondContact CD1-OD1 3.22Å; S213-N217 PolarHBondContact O-N 2.78Å; I214-N217 PolarHBondContact O-N 3.32Å; N217-G219 VanDerWaalsContact C-N 3.34Å; N217-L220 PolarHBondContact O-N 3.43Å; N217-I221 WeakPolarHBondContact O-CG1 3.19Å; N217-I221 PolarHBondContact O-N 2.82Å; N217-I221 VanDerWaalsContact O-N 3.15Å |
| 218 | V | 79 | Confident | 70.5 | Confident | 9 Ų | 9 | 49 Ų | 49 | 6% | 0.055 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.3 | -40.6 | 173.6 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | L82 R86 L168 I214 L220 I221 I222 | L82-V218 HydrophobicContact CD1-CG1 4.34Å; R86-V218 HydrophobicContact CG-CG1 4.42Å; L168-V218 HydrophobicContact CD1-CG2 4.15Å; I214-V218 WeakPolarHBondContact O-CG2 3.3Å; I214-V218 PolarHBondContact O-N 3.04Å; V218-L220 VanDerWaalsContact C-N 3.3Å; V218-L220 PolarHBondContact O-N 3.5Å; V218-I221 PolarHBondContact O-N 3.27Å; V218-I221 VanDerWaalsContact O-N 3.14Å; V218-I222 HydrophobicContact CG1-CD1 3.97Å; V218-I222 HydrophobicContact CG1-CG1 4.39Å; V218-I222 WeakPolarHBondContact O-CG1 3.49Å; V218-I222 PolarHBondContact O-N 3.49Å |
| 219 | G | 74.8 | Confident | 72.6 | Confident | 31 Ų | 31 | 46 Ų | 46 | 32% | 0.32 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -56.4 | -41.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | D215 E216 N217 I222 A223 | D215-G219 PolarHBondContact O-N 2.97Å; E216-G219 CarbonylContact O-C 3.5Å; E216-G219 WeakPolarHBondContact O-CA 3.27Å; E216-G219 PolarHBondContact O-N 3.17Å; N217-G219 VanDerWaalsContact C-N 3.34Å; G219-I222 PolarHBondContact O-N 3.36Å; G219-A223 VanDerWaalsContact O-CB 3.32Å; G219-A223 WeakPolarHBondContact O-CB 3.36Å; G219-A223 PolarHBondContact O-N 2.88Å |
| 220 | L | 76.5 | Confident | 74 | Confident | 58 Ų | 58 | 50.5 Ų | 50.5 | 30% | 0.304 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.4 | -39.3 | 175 | -71.2 | 172.5 | 0 | 0 | 0 | 112.4 | I185 L212 E216 N217 V218 A223 R224 | I185-L220 HydrophobicContact CG2-CD1 3.55Å; L212-L220 HydrophobicContact CD1-CD1 3.96Å; E216-L220 WeakPolarHBondContact O-CG 3.15Å; E216-L220 PolarHBondContact O-N 3.43Å; N217-L220 PolarHBondContact O-N 3.43Å; V218-L220 VanDerWaalsContact C-N 3.3Å; V218-L220 PolarHBondContact O-N 3.5Å; L220-A223 PolarHBondContact O-N 3.45Å; L220-R224 VanDerWaalsContact O-CG 3.3Å; L220-R224 WeakPolarHBondContact O-CG 3.42Å; L220-R224 PolarHBondContact O-N 2.85Å |
| 221 | I | 80.5 | Confident | 75.1 | Confident | 8 Ų | 8 | 51.8 Ų | 51.8 | 4% | 0.041 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.6 | -46.3 | 176.3 | -62.6 | 166.7 | 0 | 0 | 0 | 110.2 | L82 L126 M161 I164 L168 N217 V218 A223 R224 L225 | L82-I221 HydrophobicContact CD2-CB 4.07Å; L82-I221 HydrophobicContact CD2-CG2 3.47Å; L82-I221 VanDerWaalsContact CD2-CG2 3.47Å; L126-I221 HydrophobicContact CD2-CG2 3.84Å; M161-I221 HydrophobicContact CE-CG2 4.13Å; I164-I221 HydrophobicContact CG2-CD1 3.57Å; L168-I221 HydrophobicContact CD1-CD1 3.76Å; N217-I221 WeakPolarHBondContact O-CG1 3.19Å; N217-I221 PolarHBondContact O-N 2.82Å; N217-I221 VanDerWaalsContact O-N 3.15Å; V218-I221 PolarHBondContact O-N 3.27Å; V218-I221 VanDerWaalsContact O-N 3.14Å; I221-A223 VanDerWaalsContact C-N 3.3Å; I221-A223 PolarHBondContact O-N 2.9Å; I221-R224 PolarHBondContact O-N 3.42Å; I221-L225 HydrophobicContact CG2-CD1 4.02Å; I221-L225 HydrophobicContact CG2-CG 4.44Å; I221-L225 WeakPolarHBondContact O-CG 3.46Å; I221-L225 PolarHBondContact O-N 2.96Å |
| 222 | I | 81.4 | Confident | 76.4 | Confident | 13 Ų | 13 | 48.1 Ų | 48.1 | 7% | 0.067 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.8 | -45.9 | 174.5 | -67.8 | 170.5 | 0 | 0 | 0 | 109.9 | L79 L82 V218 G219 R224 L225 S226 | L79-I222 HydrophobicContact CD1-CB 4.39Å; L79-I222 HydrophobicContact CD1-CG1 4.09Å; L79-I222 HydrophobicContact CD1-CG2 4.07Å; L82-I222 HydrophobicContact CD2-CG1 3.62Å; L82-I222 HydrophobicContact CG-CG1 4.41Å; V218-I222 HydrophobicContact CG1-CD1 3.97Å; V218-I222 HydrophobicContact CG1-CG1 4.39Å; V218-I222 WeakPolarHBondContact O-CG1 3.49Å; V218-I222 PolarHBondContact O-N 3.49Å; G219-I222 PolarHBondContact O-N 3.36Å; I222-R224 VanDerWaalsContact C-N 3.27Å; I222-R224 PolarHBondContact O-N 3.2Å; I222-L225 PolarHBondContact O-N 3.45Å; I222-S226 WeakPolarHBondContact O-CB 3.44Å; I222-S226 PolarHBondContact O-N 2.88Å; I222-S226 PolarHBondContact O-OG 3.45Å |
| 223 | A | 74.6 | Confident | 76.8 | Confident | 35 Ų | 35 | 51.4 Ų | 51.4 | 29% | 0.289 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.9 | -37.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G219 L220 I221 S226 L227 R230 | G219-A223 VanDerWaalsContact O-CB 3.32Å; G219-A223 WeakPolarHBondContact O-CB 3.36Å; G219-A223 PolarHBondContact O-N 2.88Å; L220-A223 PolarHBondContact O-N 3.45Å; I221-A223 VanDerWaalsContact C-N 3.3Å; I221-A223 PolarHBondContact O-N 2.9Å; A223-S226 WeakPolarHBondContact CA-OG 3.28Å; A223-S226 PolarHBondContact O-OG 3.13Å; A223-L227 PolarHBondContact O-N 2.78Å; A223-L227 VanDerWaalsContact O-N 3.14Å; A223-R230 PolarHBondContact O-NH1 3.42Å |
| 224 | R | 79.3 | Confident | 76.3 | Confident | 50 Ų | 50 | 54.1 Ų | 54.1 | 19% | 0.189 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -71.3 | -45 | 175.9 | -73.3 | 173.7 | 176.6 | -172.6 | 9.8 | 112.4 | L126 L184 I185 L220 I221 I222 S226 L227 | L126-R224 WeakPolarHBondContact O-CD 3.42Å; L126-R224 PolarHBondContact O-NH1 3.39Å; L184-R224 PolarHBondContact O-NH1 2.97Å; I185-R224 PolarHBondContact O-NH2 2.84Å; I185-R224 VanDerWaalsContact O-NH2 3.14Å; L220-R224 VanDerWaalsContact O-CG 3.3Å; L220-R224 WeakPolarHBondContact O-CG 3.42Å; L220-R224 PolarHBondContact O-N 2.85Å; I221-R224 PolarHBondContact O-N 3.42Å; I222-R224 VanDerWaalsContact C-N 3.27Å; I222-R224 PolarHBondContact O-N 3.2Å; R224-S226 VanDerWaalsContact C-N 3.31Å; R224-S226 PolarHBondContact O-N 2.71Å; R224-L227 WeakPolarHBondContact O-CB 3.48Å; R224-L227 PolarHBondContact O-N 3.32Å |
| 225 | L | 82.5 | Confident | 76.1 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.7 | -32.6 | 177.3 | -70.3 | 173.8 | 0 | 0 | 0 | 112.4 | C75 R78 L79 L82 L126 M161 I221 I222 L227 | C75-L225 HydrophobicContact CB-CD2 4.38Å; C75-L225 WeakPolarHBondContact CB-O 3.3Å; R78-L225 HydrophobicContact CB-CD1 4.17Å; R78-L225 HydrophobicContact CB-CD2 3.99Å; L79-L225 HydrophobicContact CB-CB 4.3Å; L79-L225 HydrophobicContact CB-CD1 4.23Å; L79-L225 HydrophobicContact CD1-CB 4.45Å; L79-L225 HydrophobicContact CD1-CD1 4.48Å; L82-L225 HydrophobicContact CD2-CD1 3.92Å; L126-L225 HydrophobicContact CD2-CD1 4.25Å; L126-L225 HydrophobicContact CD2-CD2 3.56Å; L126-L225 HydrophobicContact CD2-CG 3.69Å; L126-L225 HydrophobicContact CG-CD2 4.45Å; M161-L225 HydrophobicContact CE-CD1 3.83Å; I221-L225 HydrophobicContact CG2-CD1 4.02Å; I221-L225 HydrophobicContact CG2-CG 4.44Å; I221-L225 WeakPolarHBondContact O-CG 3.46Å; I221-L225 PolarHBondContact O-N 2.96Å; I222-L225 PolarHBondContact O-N 3.45Å; L225-L227 VanDerWaalsContact C-N 3.34Å |
| 226 | S | 82.1 | Confident | 76.1 | Confident | 4 Ų | 4 | 56.8 Ų | 56.8 | 3% | 0.028 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 1.2 | 175.3 | 56.3 | 0 | 0 | 0 | 0 | 114 | I222 A223 R224 W228 E229 R230 | I222-S226 WeakPolarHBondContact O-CB 3.44Å; I222-S226 PolarHBondContact O-N 2.88Å; I222-S226 PolarHBondContact O-OG 3.45Å; A223-S226 WeakPolarHBondContact CA-OG 3.28Å; A223-S226 PolarHBondContact O-OG 3.13Å; R224-S226 VanDerWaalsContact C-N 3.31Å; R224-S226 PolarHBondContact O-N 2.71Å; S226-W228 VanDerWaalsContact C-N 3.3Å; S226-W228 PolarHBondContact O-N 3.41Å; S226-E229 PolarHBondContact O-N 3.36Å; S226-R230 PolarHBondContact O-N 3.3Å; S226-R230 PolarHBondContact OG-NH2 2.99Å |
| 227 | L | 78.7 | Confident | 75.6 | Confident | 55 Ų | 55 | 54.9 Ų | 54.9 | 29% | 0.288 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.5 | -39.1 | -175.6 | -154.3 | 179.5 | 0 | 0 | 0 | 111.2 | A223 R224 L225 E229 R230 R231 | A223-L227 PolarHBondContact O-N 2.78Å; A223-L227 VanDerWaalsContact O-N 3.14Å; R224-L227 WeakPolarHBondContact O-CB 3.48Å; R224-L227 PolarHBondContact O-N 3.32Å; L225-L227 VanDerWaalsContact C-N 3.34Å; L227-E229 VanDerWaalsContact C-N 3.29Å; L227-E229 PolarHBondContact O-N 3.09Å; L227-R230 PolarHBondContact O-N 2.96Å; L227-R231 HydrophobicContact CD2-CG 3.69Å; L227-R231 PolarHBondContact O-N 3.33Å |
| 228 | W | 80.9 | Confident | 75 | Confident | 27 Ų | 27 | 56.8 Ų | 56.8 | 10% | 0.102 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.6 | -39.1 | 178.6 | 81.2 | -92.4 | 0 | 0 | 0 | 111.8 | K61 Y67 E72 D76 S226 R231 R232 | K61-W228 VanDerWaalsContact NZ-CH2 3.35Å; Y67-W228 AromaticContact CD1-CH2 3.68Å; Y67-W228 HydrophobicContact CD1-CH2 3.68Å; Y67-W228 HydrophobicContact CD1-CZ2 4.07Å; Y67-W228 HydrophobicContact CD1-CZ3 4.35Å; Y67-W228 AromaticContact CE1-CH2 3.56Å; Y67-W228 HydrophobicContact CE1-CH2 3.56Å; Y67-W228 AromaticContact CE1-CZ2 3.56Å; Y67-W228 HydrophobicContact CE1-CZ2 3.56Å; E72-W228 HydrophobicContact CB-CD2 3.7Å; E72-W228 HydrophobicContact CB-CE3 3.73Å; E72-W228 HydrophobicContact CB-CG 4.23Å; E72-W228 HydrophobicContact CB-CH2 4.17Å; E72-W228 HydrophobicContact CB-CZ2 4.16Å; E72-W228 HydrophobicContact CB-CZ3 3.97Å; E72-W228 HydrophobicContact CG-CB 4.23Å; E72-W228 HydrophobicContact CG-CD2 3.71Å; E72-W228 HydrophobicContact CG-CE3 3.52Å; E72-W228 HydrophobicContact CG-CG 4.03Å; E72-W228 HydrophobicContact CG-CZ3 4.09Å; D76-W228 WeakPolarHBondContact OD1-CZ2 3.29Å; D76-W228 PolarHBondContact OD1-NE1 3.12Å; S226-W228 VanDerWaalsContact C-N 3.3Å; S226-W228 PolarHBondContact O-N 3.41Å; W228-R231 PolarHBondContact O-N 3.02Å; W228-R232 HydrophobicContact CE3-CG 3.67Å; W228-R232 HydrophobicContact CZ3-CG 3.82Å; W228-R232 WeakPolarHBondContact O-CB 3.25Å; W228-R232 WeakPolarHBondContact O-CG 3.27Å; W228-R232 PolarHBondContact O-N 2.65Å |
| 229 | E | 81.7 | Confident | 74.7 | Confident | 73 Ų | 73 | 63.2 Ų | 63.2 | 34% | 0.341 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.5 | -39.7 | 178.8 | -170.6 | 167.6 | -125.8 | 0 | 0 | 111.3 | K61 S226 L227 R232 H233 | K61-E229 IonicContact NZ-OE1 2.64Å; K61-E229 PolarHBondContact NZ-OE1 3.02Å; S226-E229 PolarHBondContact O-N 3.36Å; L227-E229 VanDerWaalsContact C-N 3.29Å; L227-E229 PolarHBondContact O-N 3.09Å; E229-R232 PolarHBondContact O-N 3.16Å; E229-H233 PolarHBondContact O-N 2.52Å |
| 230 | R | 71.9 | Confident | 74.8 | Confident | 116 Ų | 116 | 64.3 Ų | 64.3 | 44% | 0.438 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.8 | -47.3 | 170.6 | -70.3 | -169.6 | -146.2 | 78 | 13.6 | 112.3 | A223 S226 L227 R232 H233 E234 | A223-R230 PolarHBondContact O-NH1 3.42Å; S226-R230 PolarHBondContact O-N 3.3Å; S226-R230 PolarHBondContact OG-NH2 2.99Å; L227-R230 PolarHBondContact O-N 2.96Å; R230-R232 VanDerWaalsContact C-N 3.26Å; R230-R232 PolarHBondContact O-N 3.36Å; R230-H233 PolarHBondContact O-N 3.47Å; R230-E234 WeakPolarHBondContact O-CG 3.13Å; R230-E234 PolarHBondContact O-N 3.49Å |
| 231 | R | 70 | Confident | 74.5 | Confident | 111 Ų | 111 | 64 Ų | 64 | 42% | 0.419 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.3 | -38.5 | 177.3 | -83.1 | -175 | -179.8 | 121.9 | 5.1 | 111.8 | L227 W228 E234 E235 | L227-R231 HydrophobicContact CD2-CG 3.69Å; L227-R231 PolarHBondContact O-N 3.33Å; W228-R231 PolarHBondContact O-N 3.02Å; R231-E234 PolarHBondContact O-N 2.92Å; R231-E235 WeakPolarHBondContact O-CB 3.33Å; R231-E235 VanDerWaalsContact O-CG 3.32Å; R231-E235 WeakPolarHBondContact O-CG 3.45Å; R231-E235 PolarHBondContact O-N 3.45Å |
| 232 | R | 73.6 | Confident | 74 | Confident | 49 Ų | 49 | 68.9 Ų | 68.9 | 19% | 0.185 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.8 | -48.1 | 175 | -80.9 | -71.9 | -177.5 | -138.9 | -18 | 112.4 | E72 W228 E229 R230 E234 E235 E236 | E72-R232 IonicContact OE1-CZ 3.66Å; E72-R232 IonicContact OE1-NE 2.92Å; E72-R232 PolarHBondContact OE1-NE 3.11Å; E72-R232 IonicContact OE1-NH2 3.55Å; E72-R232 PolarHBondContact OE1-NH2 2.84Å; E72-R232 IonicContact OE2-NH2 3.19Å; W228-R232 HydrophobicContact CE3-CG 3.67Å; W228-R232 HydrophobicContact CZ3-CG 3.82Å; W228-R232 WeakPolarHBondContact O-CB 3.25Å; W228-R232 WeakPolarHBondContact O-CG 3.27Å; W228-R232 PolarHBondContact O-N 2.65Å; E229-R232 PolarHBondContact O-N 3.16Å; R230-R232 VanDerWaalsContact C-N 3.26Å; R230-R232 PolarHBondContact O-N 3.36Å; R232-E234 PolarHBondContact O-N 3.5Å; R232-E235 IonicContact CZ-OE2 3.61Å; R232-E235 IonicContact NH1-OE2 2.69Å; R232-E235 PolarHBondContact NH1-OE2 2.97Å; R232-E235 PolarHBondContact O-N 2.75Å; R232-E236 WeakPolarHBondContact O-CG 3.43Å; R232-E236 PolarHBondContact O-N 3.15Å |
| 233 | H | 71.1 | Confident | 73.8 | Confident | 119 Ų | 119 | 74.8 Ų | 74.8 | 55% | 0.551 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -61 | -37.7 | 176.8 | -171.6 | 59 | 0 | 0 | 0 | 111.8 | E229 R230 L237 | E229-H233 PolarHBondContact O-N 2.52Å; R230-H233 PolarHBondContact O-N 3.47Å; H233-L237 WeakPolarHBondContact O-CB 3.35Å; H233-L237 PolarHBondContact O-N 2.8Å |
| 234 | E | 64.5 | Low | 73.8 | Confident | 115 Ų | 115 | 76 Ų | 76 | 54% | 0.537 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.5 | -44.4 | 173 | -72.6 | 169.7 | -178.5 | 0 | 0 | 112.2 | R230 R231 R232 L237 L238 | R230-E234 WeakPolarHBondContact O-CG 3.13Å; R230-E234 PolarHBondContact O-N 3.49Å; R231-E234 PolarHBondContact O-N 2.92Å; R232-E234 PolarHBondContact O-N 3.5Å; E234-L237 PolarHBondContact O-N 3.49Å; E234-L238 WeakPolarHBondContact O-CB 2.91Å; E234-L238 WeakPolarHBondContact O-CG 3.36Å; E234-L238 PolarHBondContact O-N 3.06Å |
| 235 | E | 68.1 | Low | 73.2 | Confident | 88 Ų | 88 | 76 Ų | 76 | 41% | 0.411 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.4 | -48.2 | 174.5 | -75.8 | 171.5 | -172.6 | 0 | 0 | 111.6 | R231 R232 L237 L238 D239 | R231-E235 WeakPolarHBondContact O-CB 3.33Å; R231-E235 VanDerWaalsContact O-CG 3.32Å; R231-E235 WeakPolarHBondContact O-CG 3.45Å; R231-E235 PolarHBondContact O-N 3.45Å; R232-E235 IonicContact CZ-OE2 3.61Å; R232-E235 IonicContact NH1-OE2 2.69Å; R232-E235 PolarHBondContact NH1-OE2 2.97Å; R232-E235 PolarHBondContact O-N 2.75Å; E235-L237 VanDerWaalsContact C-N 3.31Å; E235-L237 PolarHBondContact O-N 3.19Å; E235-L238 WeakPolarHBondContact O-CB 3.48Å; E235-L238 PolarHBondContact O-N 3.26Å; E235-L238 VanDerWaalsContact O-N 3.14Å; E235-D239 PolarHBondContact O-N 2.96Å |
| 236 | E | 73.4 | Confident | 72.7 | Confident | 111 Ų | 111 | 81 Ų | 81 | 52% | 0.519 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.5 | -39.2 | 176.8 | -72.6 | 171.3 | -172.7 | 0 | 0 | 112 | R232 L238 D239 S240 | R232-E236 WeakPolarHBondContact O-CG 3.43Å; R232-E236 PolarHBondContact O-N 3.15Å; E236-L238 VanDerWaalsContact C-N 3.35Å; E236-D239 PolarHBondContact O-N 3.22Å; E236-S240 VanDerWaalsContact O-CB 3.29Å; E236-S240 WeakPolarHBondContact O-CB 3.34Å; E236-S240 PolarHBondContact O-N 2.73Å; E236-S240 PolarHBondContact O-OG 2.83Å |
| 237 | L | 67.2 | Low | 72.3 | Confident | 64 Ų | 64 | 87.5 Ų | 87.5 | 34% | 0.335 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -69.1 | -34.2 | 176.3 | -169 | 146.4 | 0 | 0 | 0 | 111.7 | H233 E234 E235 S240 W241 | H233-L237 WeakPolarHBondContact O-CB 3.35Å; H233-L237 PolarHBondContact O-N 2.8Å; E234-L237 PolarHBondContact O-N 3.49Å; E235-L237 VanDerWaalsContact C-N 3.31Å; E235-L237 PolarHBondContact O-N 3.19Å; L237-S240 WeakPolarHBondContact CA-OG 3.4Å; L237-S240 CarbonylContact O-C 3.42Å; L237-S240 PolarHBondContact O-OG 3Å; L237-W241 HydrophobicContact CD2-CE3 3.91Å; L237-W241 HydrophobicContact CD2-CZ3 4.25Å; L237-W241 WeakPolarHBondContact O-CA 3.03Å; L237-W241 WeakPolarHBondContact O-CB 3.18Å; L237-W241 PolarHBondContact O-N 3.4Å |
| 238 | L | 62.9 | Low | 71.9 | Confident | 57 Ų | 57 | 89.8 Ų | 89.8 | 30% | 0.298 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -71 | -41.1 | 174.6 | -72.9 | 169.5 | 0 | 0 | 0 | 111.7 | E234 E235 E236 S240 W241 H298 | E234-L238 WeakPolarHBondContact O-CB 2.91Å; E234-L238 WeakPolarHBondContact O-CG 3.36Å; E234-L238 PolarHBondContact O-N 3.06Å; E235-L238 WeakPolarHBondContact O-CB 3.48Å; E235-L238 PolarHBondContact O-N 3.26Å; E235-L238 VanDerWaalsContact O-N 3.14Å; E236-L238 VanDerWaalsContact C-N 3.35Å; L238-S240 VanDerWaalsContact C-N 3.34Å; L238-W241 VanDerWaalsContact O-CB 3.24Å; L238-W241 WeakPolarHBondContact O-CB 3.1Å; L238-W241 PolarHBondContact O-N 3.26Å; L238-H298 HydrophobicContact CD1-CB 3.98Å |
| 239 | D | 73.7 | Confident | 71.3 | Confident | 143 Ų | 143 | 92.1 Ų | 92.1 | 77% | 0.765 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -66 | -39.2 | 175.8 | -74.7 | -17.9 | 0 | 0 | 0 | 111.2 | E235 E236 W241 | E235-D239 PolarHBondContact O-N 2.96Å; E236-D239 PolarHBondContact O-N 3.22Å; D239-W241 VanDerWaalsContact C-N 3.34Å |
| 240 | S | 75.6 | Confident | 70.6 | Confident | 54 Ų | 54 | 88.7 Ų | 88.7 | 38% | 0.378 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 4.1 | 175.6 | 63.9 | 0 | 0 | 0 | 0 | 114.2 | E236 L237 L238 N242 E243 W244 | E236-S240 VanDerWaalsContact O-CB 3.29Å; E236-S240 WeakPolarHBondContact O-CB 3.34Å; E236-S240 PolarHBondContact O-N 2.73Å; E236-S240 PolarHBondContact O-OG 2.83Å; L237-S240 WeakPolarHBondContact CA-OG 3.4Å; L237-S240 CarbonylContact O-C 3.42Å; L237-S240 PolarHBondContact O-OG 3Å; L238-S240 VanDerWaalsContact C-N 3.34Å; S240-N242 VanDerWaalsContact C-N 3.29Å; S240-N242 PolarHBondContact O-N 3.26Å; S240-E243 PolarHBondContact O-N 2.74Å; S240-E243 VanDerWaalsContact O-N 3.1Å; S240-W244 WeakPolarHBondContact O-CB 3.36Å; S240-W244 PolarHBondContact O-N 2.88Å |
| 241 | W | 70 | Confident | 70.2 | Confident | 52 Ų | 52 | 86.9 Ų | 86.9 | 20% | 0.197 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -57 | -42.7 | -171.8 | 175.2 | -97.7 | 0 | 0 | 0 | 112.3 | L237 L238 D239 W244 W245 L300 | L237-W241 HydrophobicContact CD2-CE3 3.91Å; L237-W241 HydrophobicContact CD2-CZ3 4.25Å; L237-W241 WeakPolarHBondContact O-CA 3.03Å; L237-W241 WeakPolarHBondContact O-CB 3.18Å; L237-W241 PolarHBondContact O-N 3.4Å; L238-W241 VanDerWaalsContact O-CB 3.24Å; L238-W241 WeakPolarHBondContact O-CB 3.1Å; L238-W241 PolarHBondContact O-N 3.26Å; D239-W241 VanDerWaalsContact C-N 3.34Å; W241-W244 HydrophobicContact CD2-CE3 4.37Å; W241-W244 AromaticContact CE3-CE3 3.87Å; W241-W244 HydrophobicContact CE3-CE3 3.87Å; W241-W244 HydrophobicContact CE3-CZ3 4.01Å; W241-W244 HydrophobicContact CH2-CE3 4.16Å; W241-W244 HydrophobicContact CH2-CH2 4.26Å; W241-W244 AromaticContact CH2-CZ3 3.47Å; W241-W244 HydrophobicContact CH2-CZ3 3.47Å; W241-W244 VanDerWaalsContact CH2-CZ3 3.47Å; W241-W244 HydrophobicContact CZ2-CZ3 4.09Å; W241-W244 AromaticContact CZ3-CE3 3.76Å; W241-W244 HydrophobicContact CZ3-CE3 3.76Å; W241-W244 HydrophobicContact CZ3-CH2 4.17Å; W241-W244 AromaticContact CZ3-CZ3 3.41Å; W241-W244 HydrophobicContact CZ3-CZ3 3.41Å; W241-W244 VanDerWaalsContact CZ3-CZ3 3.41Å; W241-W244 PolarHBondContact O-N 2.92Å; W241-W245 WeakPolarHBondContact O-CB 3.28Å; W241-W245 PolarHBondContact O-N 3.12Å; W241-L300 HydrophobicContact CH2-CD2 4.06Å; W241-L300 HydrophobicContact CZ3-CD2 4.25Å |
| 242 | N | 70.5 | Confident | 70.3 | Confident | 111 Ų | 111 | 87.9 Ų | 87.9 | 59% | 0.594 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -65 | -42.8 | -179.2 | -68.8 | -40.2 | 0 | 0 | 0 | 111.9 | S240 W245 I246 | S240-N242 VanDerWaalsContact C-N 3.29Å; S240-N242 PolarHBondContact O-N 3.26Å; N242-W245 PolarHBondContact O-N 2.88Å; N242-I246 WeakPolarHBondContact O-CB 3.19Å; N242-I246 WeakPolarHBondContact O-CD1 3.29Å; N242-I246 WeakPolarHBondContact O-CG1 3.4Å; N242-I246 PolarHBondContact O-N 2.79Å |
| 243 | E | 76.9 | Confident | 70.1 | Confident | 136 Ų | 136 | 87.7 Ų | 87.7 | 64% | 0.636 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -65.2 | -48.3 | 177.4 | -65.4 | -60.6 | 149.5 | 0 | 0 | 110.5 | S240 W245 I246 E247 | S240-E243 PolarHBondContact O-N 2.74Å; S240-E243 VanDerWaalsContact O-N 3.1Å; E243-W245 VanDerWaalsContact C-N 3.34Å; E243-W245 PolarHBondContact O-N 2.76Å; E243-I246 PolarHBondContact O-N 2.92Å; E243-E247 WeakPolarHBondContact O-CB 3.27Å; E243-E247 PolarHBondContact O-N 3.49Å |
| 244 | W | 74.5 | Confident | 70 | Confident | 62 Ų | 62 | 82.9 Ų | 82.9 | 24% | 0.235 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -60 | -41.6 | 176.2 | 176.4 | 88.4 | 0 | 0 | 0 | 112.3 | S240 W241 E247 K248 S325 A326 | S240-W244 WeakPolarHBondContact O-CB 3.36Å; S240-W244 PolarHBondContact O-N 2.88Å; W241-W244 HydrophobicContact CD2-CE3 4.37Å; W241-W244 AromaticContact CE3-CE3 3.87Å; W241-W244 HydrophobicContact CE3-CE3 3.87Å; W241-W244 HydrophobicContact CE3-CZ3 4.01Å; W241-W244 HydrophobicContact CH2-CE3 4.16Å; W241-W244 HydrophobicContact CH2-CH2 4.26Å; W241-W244 AromaticContact CH2-CZ3 3.47Å; W241-W244 HydrophobicContact CH2-CZ3 3.47Å; W241-W244 VanDerWaalsContact CH2-CZ3 3.47Å; W241-W244 HydrophobicContact CZ2-CZ3 4.09Å; W241-W244 AromaticContact CZ3-CE3 3.76Å; W241-W244 HydrophobicContact CZ3-CE3 3.76Å; W241-W244 HydrophobicContact CZ3-CH2 4.17Å; W241-W244 AromaticContact CZ3-CZ3 3.41Å; W241-W244 HydrophobicContact CZ3-CZ3 3.41Å; W241-W244 VanDerWaalsContact CZ3-CZ3 3.41Å; W241-W244 PolarHBondContact O-N 2.92Å; W244-E247 WeakPolarHBondContact O-CB 3.49Å; W244-E247 PolarHBondContact O-N 2.9Å; W244-K248 HydrophobicContact CD2-CG 4.19Å; W244-K248 HydrophobicContact CH2-CG 4.44Å; W244-K248 HydrophobicContact CZ2-CG 3.93Å; W244-K248 WeakPolarHBondContact O-CG 3.36Å; W244-K248 PolarHBondContact O-N 3.16Å; W244-S325 VanDerWaalsContact CH2-O 3.26Å; W244-S325 WeakPolarHBondContact CH2-O 3.4Å; W244-A326 HydrophobicContact CH2-CB 4.09Å |
| 245 | W | 67.4 | Low | 70.2 | Confident | 50 Ų | 50 | 83.7 Ų | 83.7 | 19% | 0.189 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -65.1 | -39.6 | 178.8 | 174.8 | -114.8 | 0 | 0 | 0 | 112.4 | W241 N242 E243 G250 C324 S325 | W241-W245 WeakPolarHBondContact O-CB 3.28Å; W241-W245 PolarHBondContact O-N 3.12Å; N242-W245 PolarHBondContact O-N 2.88Å; E243-W245 VanDerWaalsContact C-N 3.34Å; E243-W245 PolarHBondContact O-N 2.76Å; W245-G250 VanDerWaalsContact CH2-CA 3.44Å; W245-G250 VanDerWaalsContact CZ2-C 3.45Å; W245-G250 VanDerWaalsContact CZ3-CA 3.46Å; W245-G250 PolarHBondContact O-N 3.48Å; W245-C324 HydrophobicContact CH2-CB 4.01Å; W245-C324 HydrophobicContact CZ3-CB 4.42Å; W245-S325 WeakPolarHBondContact CH2-OG 3.37Å; W245-S325 VanDerWaalsContact CZ3-CA 3.48Å; W245-S325 WeakPolarHBondContact CZ3-OG 3.25Å |
| 246 | I | 72 | Confident | 70.4 | Confident | 105 Ų | 105 | 83.8 Ų | 83.8 | 54% | 0.538 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -68.1 | -43.5 | 174.3 | -67.7 | 165.6 | 0 | 0 | 0 | 110 | N242 E243 K248 N249 | N242-I246 WeakPolarHBondContact O-CB 3.19Å; N242-I246 WeakPolarHBondContact O-CD1 3.29Å; N242-I246 WeakPolarHBondContact O-CG1 3.4Å; N242-I246 PolarHBondContact O-N 2.79Å; E243-I246 PolarHBondContact O-N 2.92Å; I246-K248 VanDerWaalsContact C-N 3.32Å; I246-K248 PolarHBondContact O-N 3.01Å; I246-N249 PolarHBondContact O-N 3.35Å |
| 247 | E | 74.6 | Confident | 70.6 | Confident | 140 Ų | 140 | 78.6 Ų | 78.6 | 65% | 0.654 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -59.5 | -40.6 | 177.7 | -166.5 | -165.2 | 152.8 | 0 | 0 | 111.9 | E243 W244 N249 | E243-E247 WeakPolarHBondContact O-CB 3.27Å; E243-E247 PolarHBondContact O-N 3.49Å; W244-E247 WeakPolarHBondContact O-CB 3.49Å; W244-E247 PolarHBondContact O-N 2.9Å; E247-N249 PolarHBondContact O-N 3.4Å |
| 248 | K | 69.4 | Low | 70.9 | Confident | 102 Ų | 102 | 80.3 Ų | 80.3 | 44% | 0.443 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | 6.6 | 175.7 | -64.2 | -55.8 | 179.6 | -161.4 | 0 | 114.4 | W244 I246 G250 L253 | W244-K248 HydrophobicContact CD2-CG 4.19Å; W244-K248 HydrophobicContact CH2-CG 4.44Å; W244-K248 HydrophobicContact CZ2-CG 3.93Å; W244-K248 WeakPolarHBondContact O-CG 3.36Å; W244-K248 PolarHBondContact O-N 3.16Å; I246-K248 VanDerWaalsContact C-N 3.32Å; I246-K248 PolarHBondContact O-N 3.01Å; K248-G250 PolarHBondContact O-N 3.49Å; K248-L253 WeakPolarHBondContact O-CD1 3.44Å |
| 249 | N | 67.6 | Low | 71.4 | Confident | 77 Ų | 77 | 83.6 Ų | 83.6 | 41% | 0.412 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 28.1 | -176.5 | -68.6 | -76.6 | 0 | 0 | 0 | 113.7 | I246 E247 P251 K252 L253 | I246-N249 PolarHBondContact O-N 3.35Å; E247-N249 PolarHBondContact O-N 3.4Å; N249-P251 VanDerWaalsContact C-CD 3.48Å; N249-P251 VanDerWaalsContact O-N 3.16Å; N249-K252 HydrophobicContact CB-CB 4.46Å; N249-K252 HydrophobicContact CB-CD 4.42Å; N249-K252 PolarHBondContact O-N 2.79Å; N249-K252 PolarHBondContact OD1-NZ 2.95Å; N249-L253 WeakPolarHBondContact O-CG 3.4Å; N249-L253 PolarHBondContact O-N 3.34Å |
| 250 | G | 67.9 | Low | 71.7 | Confident | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -45.5 | -47.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | W245 K248 K252 L253 Q254 | W245-G250 VanDerWaalsContact CH2-CA 3.44Å; W245-G250 VanDerWaalsContact CZ2-C 3.45Å; W245-G250 VanDerWaalsContact CZ3-CA 3.46Å; W245-G250 PolarHBondContact O-N 3.48Å; K248-G250 PolarHBondContact O-N 3.49Å; G250-K252 PolarHBondContact O-N 2.81Å; G250-L253 WeakPolarHBondContact O-CB 3.44Å; G250-L253 PolarHBondContact O-N 3.16Å; G250-Q254 PolarHBondContact O-N 3.05Å |
| 251 | P | 63.8 | Low | 71.6 | Confident | 78 Ų | 78 | 78.6 Ų | 78.6 | 51% | 0.506 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.6 | -39.1 | 178.4 | -23.5 | 33.5 | 0 | 0 | 0 | 114.1 | N249 Q254 E255 | N249-P251 VanDerWaalsContact C-CD 3.48Å; N249-P251 VanDerWaalsContact O-N 3.16Å; P251-Q254 WeakPolarHBondContact O-CB 3.32Å; P251-Q254 PolarHBondContact O-N 3.32Å; P251-E255 PolarHBondContact O-N 2.93Å |
| 252 | K | 70.9 | Confident | 72.1 | Confident | 133 Ų | 133 | 78 Ų | 78 | 58% | 0.578 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -70 | -39.1 | 177.7 | -64.7 | 177.6 | -173.5 | 160.6 | 0 | 110.8 | N249 G250 Q254 E255 I256 | N249-K252 HydrophobicContact CB-CB 4.46Å; N249-K252 HydrophobicContact CB-CD 4.42Å; N249-K252 PolarHBondContact O-N 2.79Å; N249-K252 PolarHBondContact OD1-NZ 2.95Å; G250-K252 PolarHBondContact O-N 2.81Å; K252-Q254 VanDerWaalsContact C-N 3.29Å; K252-Q254 PolarHBondContact O-N 3.13Å; K252-E255 PolarHBondContact O-N 3.46Å; K252-I256 WeakPolarHBondContact O-CG1 3.4Å; K252-I256 PolarHBondContact O-N 3.46Å; K252-I256 VanDerWaalsContact O-N 3.08Å |
| 253 | L | 69.8 | Low | 72.8 | Confident | 44 Ų | 44 | 72.9 Ų | 72.9 | 23% | 0.23 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.1 | -40 | 175.7 | -66.6 | 171.3 | 0 | 0 | 0 | 110.9 | K248 N249 G250 E255 I256 I257 I461 | K248-L253 WeakPolarHBondContact O-CD1 3.44Å; N249-L253 WeakPolarHBondContact O-CG 3.4Å; N249-L253 PolarHBondContact O-N 3.34Å; G250-L253 WeakPolarHBondContact O-CB 3.44Å; G250-L253 PolarHBondContact O-N 3.16Å; L253-E255 VanDerWaalsContact C-N 3.35Å; L253-E255 PolarHBondContact O-N 2.83Å; L253-I256 WeakPolarHBondContact O-CB 3.37Å; L253-I256 PolarHBondContact O-N 3.43Å; L253-I257 WeakPolarHBondContact O-CG1 3.45Å; L253-I257 PolarHBondContact O-N 3.39Å; L253-I461 HydrophobicContact CB-CD1 3.46Å; L253-I461 VanDerWaalsContact CB-CD1 3.46Å; L253-I461 HydrophobicContact CD1-CD1 4.09Å; L253-I461 HydrophobicContact CD2-CD1 3.25Å; L253-I461 HydrophobicContact CD2-CG1 4.21Å; L253-I461 HydrophobicContact CG-CD1 3.72Å |
| 254 | Q | 70.2 | Confident | 72.8 | Confident | 19 Ų | 19 | 67.6 Ų | 67.6 | 9% | 0.089 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.2 | -40.3 | 176.8 | -167.9 | 66.5 | 49.8 | 0 | 0 | 112.3 | G250 P251 K252 I257 Y258 C324 | G250-Q254 PolarHBondContact O-N 3.05Å; P251-Q254 WeakPolarHBondContact O-CB 3.32Å; P251-Q254 PolarHBondContact O-N 3.32Å; K252-Q254 VanDerWaalsContact C-N 3.29Å; K252-Q254 PolarHBondContact O-N 3.13Å; Q254-I257 PolarHBondContact O-N 3.39Å; Q254-Y258 HydrophobicContact CG-CE1 4.06Å; Q254-Y258 HydrophobicContact CG-CE2 3.93Å; Q254-Y258 WeakPolarHBondContact CG-OH 3.31Å; Q254-Y258 VanDerWaalsContact NE2-CZ 3.3Å; Q254-Y258 PolarHBondContact NE2-OH 3.23Å; Q254-Y258 WeakPolarHBondContact O-CD2 3.28Å; Q254-Y258 PolarHBondContact O-N 3.35Å; Q254-Y258 VanDerWaalsContact O-N 3.16Å; Q254-C324 VanDerWaalsContact CA-SG 3.53Å; Q254-C324 PolarHBondContact N-SG 2.78Å; Q254-C324 VanDerWaalsContact N-SG 3.38Å |
| 255 | E | 67.7 | Low | 72.8 | Confident | 131 Ų | 131 | 65.1 Ų | 65.1 | 61% | 0.612 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -66 | -39 | 174.6 | -169.5 | -177.2 | -179.2 | 0 | 0 | 112.2 | P251 K252 L253 I257 Y258 N259 | P251-E255 PolarHBondContact O-N 2.93Å; K252-E255 PolarHBondContact O-N 3.46Å; L253-E255 VanDerWaalsContact C-N 3.35Å; L253-E255 PolarHBondContact O-N 2.83Å; E255-I257 VanDerWaalsContact C-N 3.32Å; E255-Y258 PolarHBondContact O-N 3.14Å; E255-N259 PolarHBondContact O-ND2 3.43Å |
| 256 | I | 72.7 | Confident | 73.6 | Confident | 90 Ų | 90 | 62.9 Ų | 62.9 | 46% | 0.462 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.6 | -46.1 | 173.5 | -66.7 | 165.5 | 0 | 0 | 0 | 109.6 | K252 L253 Y258 N259 I260 | K252-I256 WeakPolarHBondContact O-CG1 3.4Å; K252-I256 PolarHBondContact O-N 3.46Å; K252-I256 VanDerWaalsContact O-N 3.08Å; L253-I256 WeakPolarHBondContact O-CB 3.37Å; L253-I256 PolarHBondContact O-N 3.43Å; I256-Y258 VanDerWaalsContact C-N 3.33Å; I256-Y258 PolarHBondContact O-N 2.82Å; I256-N259 PolarHBondContact O-N 3.45Å; I256-N259 VanDerWaalsContact O-N 3.15Å; I256-I260 HydrophobicContact CG2-CD1 4.35Å; I256-I260 WeakPolarHBondContact O-CG1 3.27Å |
| 257 | I | 78.3 | Confident | 74.1 | Confident | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.5 | -42.8 | 179.8 | -77.9 | -160.9 | 0 | 0 | 0 | 112.6 | L253 Q254 E255 N259 I260 L263 E320 L323 C324 I461 | L253-I257 WeakPolarHBondContact O-CG1 3.45Å; L253-I257 PolarHBondContact O-N 3.39Å; Q254-I257 PolarHBondContact O-N 3.39Å; E255-I257 VanDerWaalsContact C-N 3.32Å; I257-N259 PolarHBondContact O-N 2.91Å; I257-N259 VanDerWaalsContact O-N 3.09Å; I257-I260 PolarHBondContact O-N 2.93Å; I257-L263 HydrophobicContact CG2-CD2 3.29Å; I257-E320 HydrophobicContact CG2-CB 4.23Å; I257-E320 HydrophobicContact CG2-CG 3.82Å; I257-L323 HydrophobicContact CD1-CB 3.97Å; I257-C324 HydrophobicContact CD1-CB 4.28Å; I257-C324 WeakPolarHBondContact CD1-SG 3.17Å; I257-I461 HydrophobicContact CD1-CG2 3.69Å; I257-I461 HydrophobicContact CG1-CD1 4.43Å; I257-I461 HydrophobicContact CG1-CG2 3.41Å; I257-I461 VanDerWaalsContact CG1-CG2 3.41Å |
| 258 | Y | 73.4 | Confident | 74.1 | Confident | 101 Ų | 101 | 51.2 Ų | 51.2 | 40% | 0.396 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.6 | -22.2 | -178.9 | -64.3 | -25.7 | 0 | 0 | 0 | 114.2 | Q254 E255 I256 E320 | Q254-Y258 HydrophobicContact CG-CE1 4.06Å; Q254-Y258 HydrophobicContact CG-CE2 3.93Å; Q254-Y258 WeakPolarHBondContact CG-OH 3.31Å; Q254-Y258 VanDerWaalsContact NE2-CZ 3.3Å; Q254-Y258 PolarHBondContact NE2-OH 3.23Å; Q254-Y258 WeakPolarHBondContact O-CD2 3.28Å; Q254-Y258 PolarHBondContact O-N 3.35Å; Q254-Y258 VanDerWaalsContact O-N 3.16Å; E255-Y258 PolarHBondContact O-N 3.14Å; I256-Y258 VanDerWaalsContact C-N 3.33Å; I256-Y258 PolarHBondContact O-N 2.82Å; Y258-E320 WeakPolarHBondContact CE1-OE2 3.26Å |
| 259 | N | 72.2 | Confident | 74.6 | Confident | 125 Ų | 125 | 47.2 Ų | 47.2 | 67% | 0.668 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -0.4 | 179.3 | -65.9 | -56.2 | 0 | 0 | 0 | 113.3 | E255 I256 I257 P261 | E255-N259 PolarHBondContact O-ND2 3.43Å; I256-N259 PolarHBondContact O-N 3.45Å; I256-N259 VanDerWaalsContact O-N 3.15Å; I257-N259 PolarHBondContact O-N 2.91Å; I257-N259 VanDerWaalsContact O-N 3.09Å; N259-P261 VanDerWaalsContact O-CD 3.27Å; N259-P261 WeakPolarHBondContact O-CD 3.49Å |
| 260 | I | 80.1 | Confident | 75.4 | Confident | 15 Ų | 15 | 43.7 Ų | 43.7 | 8% | 0.077 | 22% | 0.22 | C | C | . | . | trans | -93.3 | 106.1 | -178.7 | -59.1 | 171.9 | 0 | 0 | 0 | 109.9 | I256 I257 E262 L263 I461 Y462 V465 | I256-I260 HydrophobicContact CG2-CD1 4.35Å; I256-I260 WeakPolarHBondContact O-CG1 3.27Å; I257-I260 PolarHBondContact O-N 2.93Å; I260-E262 VanDerWaalsContact C-N 3.32Å; I260-E262 HydrophobicContact CG2-CB 4.2Å; I260-E262 VanDerWaalsContact CG2-OE2 3.31Å; I260-E262 WeakPolarHBondContact CG2-OE2 3.07Å; I260-E262 PolarHBondContact O-N 3.1Å; I260-L263 HydrophobicContact CG2-CB 4.41Å; I260-L263 PolarHBondContact O-N 3.25Å; I260-I461 HydrophobicContact CD1-CG2 4.07Å; I260-Y462 HydrophobicContact CD1-CD2 4.12Å; I260-Y462 HydrophobicContact CG1-CD2 4.14Å; I260-Y462 HydrophobicContact CG2-CD2 3.88Å; I260-Y462 HydrophobicContact CG2-CE2 4.05Å; I260-V465 HydrophobicContact CD1-CG2 4.42Å; I260-V465 HydrophobicContact CG2-CB 4.38Å; I260-V465 HydrophobicContact CG2-CG1 3.88Å | ||
| 261 | P | 74.5 | Confident | 76 | Confident | 77 Ų | 77 | 43.9 Ų | 43.9 | 50% | 0.5 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.6 | -33 | -179.8 | 26.8 | -33.9 | 0 | 0 | 0 | 112.6 | N259 L263 L264 E265 | N259-P261 VanDerWaalsContact O-CD 3.27Å; N259-P261 WeakPolarHBondContact O-CD 3.49Å; P261-L263 PolarHBondContact O-N 3.44Å; P261-L264 WeakPolarHBondContact O-CB 3.38Å; P261-L264 PolarHBondContact O-N 2.92Å; P261-L264 VanDerWaalsContact O-N 3.11Å; P261-E265 PolarHBondContact O-N 2.94Å |
| 262 | E | 80.5 | Confident | 76.6 | Confident | 39 Ų | 39 | 40.9 Ų | 40.9 | 18% | 0.182 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.3 | -29.5 | -178.7 | -62.9 | 88.6 | 158.3 | 0 | 0 | 112.3 | I260 E265 V266 Y462 V465 Y469 | I260-E262 VanDerWaalsContact C-N 3.32Å; I260-E262 HydrophobicContact CG2-CB 4.2Å; I260-E262 VanDerWaalsContact CG2-OE2 3.31Å; I260-E262 WeakPolarHBondContact CG2-OE2 3.07Å; I260-E262 PolarHBondContact O-N 3.1Å; E262-E265 PolarHBondContact O-N 2.87Å; E262-V266 WeakPolarHBondContact O-CG2 3.13Å; E262-V266 PolarHBondContact O-N 3.41Å; E262-Y462 PolarHBondContact OE1-OH 3.43Å; E262-V465 HydrophobicContact CB-CG1 3.99Å; E262-Y469 HydrophobicContact CB-CD2 4.49Å; E262-Y469 HydrophobicContact CB-CG 4.49Å |
| 263 | L | 83.6 | Confident | 77 | Confident | 4 Ų | 4 | 34.6 Ų | 34.6 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.1 | -40.7 | 177.3 | -179.2 | 61.8 | 0 | 0 | 0 | 111.9 | I257 I260 P261 E265 V266 Y267 L319 E320 L323 V465 | I257-L263 HydrophobicContact CG2-CD2 3.29Å; I260-L263 HydrophobicContact CG2-CB 4.41Å; I260-L263 PolarHBondContact O-N 3.25Å; P261-L263 PolarHBondContact O-N 3.44Å; L263-E265 PolarHBondContact O-N 3.39Å; L263-V266 WeakPolarHBondContact O-CB 3.42Å; L263-V266 PolarHBondContact O-N 3.47Å; L263-Y267 PolarHBondContact O-N 3.07Å; L263-L319 HydrophobicContact CD1-CD2 4.04Å; L263-L319 HydrophobicContact CD1-CG 4.37Å; L263-E320 HydrophobicContact CD2-CG 3.73Å; L263-L323 HydrophobicContact CD1-CD1 3.67Å; L263-V465 HydrophobicContact CB-CG1 3.86Å; L263-V465 HydrophobicContact CB-CG2 4.41Å; L263-V465 HydrophobicContact CD1-CG1 4.41Å; L263-V465 HydrophobicContact CD1-CG2 4.29Å |
| 264 | L | 78 | Confident | 77.5 | Confident | 26 Ų | 26 | 32.7 Ų | 32.7 | 14% | 0.136 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.3 | -37.5 | 177.2 | -177.5 | 61.3 | 0 | 0 | 0 | 110.8 | P261 Y267 Q268 L316 L513 Y528 | P261-L264 WeakPolarHBondContact O-CB 3.38Å; P261-L264 PolarHBondContact O-N 2.92Å; P261-L264 VanDerWaalsContact O-N 3.11Å; L264-Y267 PolarHBondContact O-N 3.07Å; L264-Q268 VanDerWaalsContact O-CG 3.25Å; L264-Q268 WeakPolarHBondContact O-CG 3.25Å; L264-Q268 PolarHBondContact O-N 3.25Å; L264-L316 HydrophobicContact CD1-CD2 4.15Å; L264-L513 HydrophobicContact CD1-CD1 4.33Å; L264-L513 HydrophobicContact CD2-CD1 3.89Å; L264-Y528 HydrophobicContact CD1-CE1 4.46Å; L264-Y528 WeakPolarHBondContact CD1-OH 3.41Å; L264-Y528 HydrophobicContact CD2-CD1 4.07Å; L264-Y528 HydrophobicContact CD2-CE1 3.66Å; L264-Y528 HydrophobicContact CD2-CE2 4.34Å |
| 265 | E | 75.2 | Confident | 77.6 | Confident | 10 Ų | 10 | 34.5 Ų | 34.5 | 5% | 0.047 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.9 | -41.4 | 176.6 | -53 | -164.9 | 179.5 | 0 | 0 | 112.3 | P261 E262 L263 Y267 Q268 F269 Y469 S770 F771 N772 | P261-E265 PolarHBondContact O-N 2.94Å; E262-E265 PolarHBondContact O-N 2.87Å; L263-E265 PolarHBondContact O-N 3.39Å; E265-Y267 VanDerWaalsContact C-N 3.32Å; E265-Y267 PolarHBondContact O-N 3.05Å; E265-Q268 PolarHBondContact O-N 3.04Å; E265-F269 WeakPolarHBondContact O-CB 3.49Å; E265-F269 PolarHBondContact O-N 3.16Å; E265-Y469 HydrophobicContact CB-CD2 4.28Å; E265-Y469 HydrophobicContact CB-CE2 3.73Å; E265-Y469 HydrophobicContact CG-CE2 4.5Å; E265-Y469 VanDerWaalsContact OE2-CE2 3.29Å; E265-Y469 WeakPolarHBondContact OE2-CE2 3.23Å; E265-Y469 PolarHBondContact OE2-OH 3.42Å; E265-S770 WeakPolarHBondContact CG-O 3.14Å; E265-F771 HydrophobicContact CB-CD1 4.29Å; E265-F771 WeakPolarHBondContact O-CE1 3.25Å; E265-N772 VanDerWaalsContact OE1-CA 3.3Å; E265-N772 WeakPolarHBondContact OE1-CA 3.35Å; E265-N772 WeakPolarHBondContact OE1-CB 3.4Å; E265-N772 PolarHBondContact OE1-N 3.44Å; E265-N772 PolarHBondContact OE1-ND2 2.98Å; E265-N772 VanDerWaalsContact OE2-C 3.26Å; E265-N772 PolarHBondContact OE2-N 2.98Å |
| 266 | V | 82.7 | Confident | 77.9 | Confident | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.012 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -56.1 | -50.2 | 171.6 | 168.5 | 0 | 0 | 0 | 0 | 110.2 | E262 L263 Q268 F269 L270 L319 I468 Y469 | E262-V266 WeakPolarHBondContact O-CG2 3.13Å; E262-V266 PolarHBondContact O-N 3.41Å; L263-V266 WeakPolarHBondContact O-CB 3.42Å; L263-V266 PolarHBondContact O-N 3.47Å; V266-Q268 PolarHBondContact O-N 3.41Å; V266-F269 PolarHBondContact O-N 2.87Å; V266-L270 HydrophobicContact CG1-CD1 3.81Å; V266-L270 HydrophobicContact CG1-CG 4.44Å; V266-L270 WeakPolarHBondContact O-CG 3.43Å; V266-L270 PolarHBondContact O-N 2.95Å; V266-L319 HydrophobicContact CG1-CD2 4.4Å; V266-I468 HydrophobicContact CG1-CG2 3.55Å; V266-I468 HydrophobicContact CG2-CG2 4.14Å; V266-Y469 HydrophobicContact CG2-CD2 3.87Å; V266-Y469 HydrophobicContact CG2-CG 4.36Å |
| 267 | Y | 82.2 | Confident | 78.1 | Confident | 1 Ų | 1 | 25 Ų | 25 | 0% | 0.004 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.7 | -48 | -179.4 | 174.1 | -107.3 | 0 | 0 | 0 | 111.6 | L263 L264 E265 F269 L270 W271 L314 L316 L319 S516 | L263-Y267 PolarHBondContact O-N 3.07Å; L264-Y267 PolarHBondContact O-N 3.07Å; E265-Y267 VanDerWaalsContact C-N 3.32Å; E265-Y267 PolarHBondContact O-N 3.05Å; Y267-F269 VanDerWaalsContact C-N 3.33Å; Y267-F269 PolarHBondContact O-N 3.41Å; Y267-L270 PolarHBondContact O-N 3.36Å; Y267-W271 HydrophobicContact CE1-CB 4.47Å; Y267-W271 AromaticContact CZ-CD1 3.96Å; Y267-W271 VanDerWaalsContact O-CB 3.25Å; Y267-W271 WeakPolarHBondContact O-CB 3.25Å; Y267-W271 PolarHBondContact O-N 3.3Å; Y267-L314 HydrophobicContact CE2-CD2 4.45Å; Y267-L314 HydrophobicContact CE2-CG 4.02Å; Y267-L314 PolarHBondContact OH-O 2.86Å; Y267-L316 HydrophobicContact CD1-CB 4.01Å; Y267-L316 HydrophobicContact CD1-CD1 4.1Å; Y267-L316 HydrophobicContact CD1-CG 4.47Å; Y267-L316 HydrophobicContact CD2-CB 4Å; Y267-L316 HydrophobicContact CD2-CD1 4.06Å; Y267-L316 HydrophobicContact CE1-CB 3.92Å; Y267-L316 VanDerWaalsContact CE2-CA 3.48Å; Y267-L316 HydrophobicContact CE2-CB 3.92Å; Y267-L316 HydrophobicContact CG-CB 4.05Å; Y267-L316 HydrophobicContact CG-CD1 3.65Å; Y267-L316 HydrophobicContact CG-CG 4.38Å; Y267-L316 PolarHBondContact OH-N 3.42Å; Y267-L319 HydrophobicContact CD2-CD2 4.31Å; Y267-S516 WeakPolarHBondContact CE1-O 3.3Å; Y267-S516 PolarHBondContact OH-O 3.18Å |
| 268 | Q | 76.3 | Confident | 77.9 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.6 | -36.8 | -179.7 | -71.2 | 172.7 | 7.8 | 0 | 0 | 112.9 | L264 E265 V266 W271 L272 S770 F771 | L264-Q268 VanDerWaalsContact O-CG 3.25Å; L264-Q268 WeakPolarHBondContact O-CG 3.25Å; L264-Q268 PolarHBondContact O-N 3.25Å; E265-Q268 PolarHBondContact O-N 3.04Å; V266-Q268 PolarHBondContact O-N 3.41Å; Q268-W271 PolarHBondContact O-N 3.25Å; Q268-L272 WeakPolarHBondContact O-CB 3.4Å; Q268-L272 WeakPolarHBondContact O-CG 3.2Å; Q268-L272 PolarHBondContact O-N 3.21Å; Q268-S770 VanDerWaalsContact CD-OG 3.3Å; Q268-S770 VanDerWaalsContact NE2-CB 3.31Å; Q268-S770 PolarHBondContact NE2-OG 3.45Å; Q268-S770 PolarHBondContact OE1-O 3.05Å; Q268-S770 PolarHBondContact OE1-OG 3.28Å; Q268-F771 HydrophobicContact CB-CE1 3.87Å; Q268-F771 HydrophobicContact CB-CZ 3.63Å |
| 269 | F | 79.6 | Confident | 78.2 | Confident | 18 Ų | 18 | 20.7 Ų | 20.7 | 8% | 0.079 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.6 | -50.8 | 172.5 | 171.3 | -100.5 | 0 | 0 | 0 | 110.5 | E265 V266 Y267 W271 L272 A273 L340 C472 M476 L482 L486 F771 | E265-F269 WeakPolarHBondContact O-CB 3.49Å; E265-F269 PolarHBondContact O-N 3.16Å; V266-F269 PolarHBondContact O-N 2.87Å; Y267-F269 VanDerWaalsContact C-N 3.33Å; Y267-F269 PolarHBondContact O-N 3.41Å; F269-W271 VanDerWaalsContact C-N 3.3Å; F269-W271 PolarHBondContact O-N 2.91Å; F269-L272 PolarHBondContact O-N 3.38Å; F269-A273 HydrophobicContact CE1-CB 4.35Å; F269-A273 HydrophobicContact CE2-CB 4.4Å; F269-A273 HydrophobicContact CZ-CB 4.15Å; F269-A273 WeakPolarHBondContact O-CB 3.48Å; F269-A273 PolarHBondContact O-N 3.08Å; F269-L340 HydrophobicContact CE1-CD2 3.94Å; F269-C472 HydrophobicContact CD1-CB 3.6Å; F269-C472 VanDerWaalsContact CD1-SG 3.51Å; F269-C472 HydrophobicContact CE1-CB 3.97Å; F269-C472 HydrophobicContact CG-CB 4.12Å; F269-M476 HydrophobicContact CD2-CG 4.11Å; F269-M476 HydrophobicContact CD2-SD 4.43Å; F269-M476 HydrophobicContact CE2-CG 3.34Å; F269-M476 HydrophobicContact CE2-SD 3.39Å; F269-M476 WeakPolarHBondContact CE2-SD 3.42Å; F269-M476 HydrophobicContact CZ-CG 3.83Å; F269-M476 HydrophobicContact CZ-SD 3.96Å; F269-L482 HydrophobicContact CZ-CD2 4.26Å; F269-L486 HydrophobicContact CE2-CD2 4.26Å; F269-F771 HydrophobicContact CB-CE1 4.15Å |
| 270 | L | 83.6 | Confident | 78.5 | Confident | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.01 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.3 | -39.7 | 178.7 | -68.5 | 171 | 0 | 0 | 0 | 111.5 | V266 Y267 A273 D274 I279 L314 L319 C336 L340 | V266-L270 HydrophobicContact CG1-CD1 3.81Å; V266-L270 HydrophobicContact CG1-CG 4.44Å; V266-L270 WeakPolarHBondContact O-CG 3.43Å; V266-L270 PolarHBondContact O-N 2.95Å; Y267-L270 PolarHBondContact O-N 3.36Å; L270-A273 CarbonylContact O-C 3.59Å; L270-A273 PolarHBondContact O-N 3Å; L270-D274 WeakPolarHBondContact O-CB 3.36Å; L270-D274 PolarHBondContact O-N 3.46Å; L270-I279 HydrophobicContact CB-CD1 4.28Å; L270-I279 HydrophobicContact CD2-CD1 4.03Å; L270-L314 HydrophobicContact CB-CD2 3.77Å; L270-L319 HydrophobicContact CD1-CD2 4.33Å; L270-C336 HydrophobicContact CD1-CB 4.13Å; L270-C336 HydrophobicContact CD2-CB 4.31Å; L270-L340 HydrophobicContact CD2-CD1 4.24Å; L270-L340 HydrophobicContact CD2-CD2 4.31Å; L270-L340 HydrophobicContact CD2-CG 4.37Å |
| 271 | W | 81 | Confident | 78 | Confident | 5 Ų | 5 | 16.5 Ų | 16.5 | 2% | 0.019 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.8 | -43.5 | 177 | -173.1 | 93.6 | 0 | 0 | 0 | 112.2 | Y267 Q268 F269 D274 H310 R312 A494 S516 | Y267-W271 HydrophobicContact CE1-CB 4.47Å; Y267-W271 AromaticContact CZ-CD1 3.96Å; Y267-W271 VanDerWaalsContact O-CB 3.25Å; Y267-W271 WeakPolarHBondContact O-CB 3.25Å; Y267-W271 PolarHBondContact O-N 3.3Å; Q268-W271 PolarHBondContact O-N 3.25Å; F269-W271 VanDerWaalsContact C-N 3.3Å; F269-W271 PolarHBondContact O-N 2.91Å; W271-D274 WeakPolarHBondContact O-CB 3.35Å; W271-H310 AromaticContact CZ2-NE2 3.87Å; W271-R312 VanDerWaalsContact CD2-NH1 3.3Å; W271-R312 VanDerWaalsContact CE2-NH1 3.34Å; W271-R312 VanDerWaalsContact CE3-NH1 3.3Å; W271-R312 VanDerWaalsContact CH2-NH1 3.29Å; W271-R312 VanDerWaalsContact CZ3-NH1 3.29Å; W271-R312 PolarHBondContact O-NH1 3.07Å; W271-A494 HydrophobicContact CH2-CB 3.41Å; W271-A494 VanDerWaalsContact CH2-CB 3.41Å; W271-A494 HydrophobicContact CZ2-CB 4.35Å; W271-A494 HydrophobicContact CZ3-CB 3.99Å; W271-S516 PolarHBondContact NE1-O 3.46Å |
| 272 | L | 77 | Confident | 77.9 | Confident | 15 Ų | 15 | 13 Ų | 13 | 8% | 0.079 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -71.6 | -32.1 | 175.1 | -72.7 | 172.9 | 0 | 0 | 0 | 112.6 | Q268 F269 P275 L486 A490 F771 | Q268-L272 WeakPolarHBondContact O-CB 3.4Å; Q268-L272 WeakPolarHBondContact O-CG 3.2Å; Q268-L272 PolarHBondContact O-N 3.21Å; F269-L272 PolarHBondContact O-N 3.38Å; L272-P275 WeakPolarHBondContact O-CD 2.98Å; L272-L486 HydrophobicContact CB-CD2 4.49Å; L272-A490 HydrophobicContact CD2-CB 4.33Å; L272-F771 HydrophobicContact CD1-CE2 3.84Å; L272-F771 HydrophobicContact CD1-CZ 3.78Å |
| 273 | A | 79 | Confident | 77.7 | Confident | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -80 | -19 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | F269 L270 F276 L277 | F269-A273 HydrophobicContact CE1-CB 4.35Å; F269-A273 HydrophobicContact CE2-CB 4.4Å; F269-A273 HydrophobicContact CZ-CB 4.15Å; F269-A273 WeakPolarHBondContact O-CB 3.48Å; F269-A273 PolarHBondContact O-N 3.08Å; L270-A273 CarbonylContact O-C 3.59Å; L270-A273 PolarHBondContact O-N 3Å; A273-F276 WeakPolarHBondContact O-CA 3.32Å; A273-F276 WeakPolarHBondContact O-CB 3.4Å; A273-F276 PolarHBondContact O-N 3.18Å; A273-L277 HydrophobicContact CB-CD1 3.67Å; A273-L277 HydrophobicContact CB-CG 4.17Å; A273-L277 PolarHBondContact O-N 2.89Å |
| 274 | D | 79.5 | Confident | 77 | Confident | 5 Ų | 5 | 13.5 Ų | 13.5 | 3% | 0.027 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -50.7 | -48.5 | -176.1 | 178.6 | 29.7 | 0 | 0 | 0 | 113.5 | L270 W271 F276 L277 G278 I279 S280 R312 | L270-D274 WeakPolarHBondContact O-CB 3.36Å; L270-D274 PolarHBondContact O-N 3.46Å; W271-D274 WeakPolarHBondContact O-CB 3.35Å; D274-F276 PolarHBondContact O-N 3.07Å; D274-L277 PolarHBondContact O-N 2.85Å; D274-G278 WeakPolarHBondContact O-CA 3.27Å; D274-G278 PolarHBondContact O-N 2.9Å; D274-I279 HydrophobicContact CB-CB 4.4Å; D274-I279 HydrophobicContact CB-CD1 4.4Å; D274-I279 WeakPolarHBondContact OD1-CA 3.36Å; D274-I279 VanDerWaalsContact OD1-CB 3.3Å; D274-I279 WeakPolarHBondContact OD1-CB 3.48Å; D274-I279 PolarHBondContact OD1-N 2.78Å; D274-S280 VanDerWaalsContact CG-OG 3.3Å; D274-S280 PolarHBondContact OD1-N 2.91Å; D274-S280 PolarHBondContact OD1-OG 2.9Å; D274-S280 WeakPolarHBondContact OD2-CB 3.38Å; D274-S280 PolarHBondContact OD2-OG 3.48Å; D274-R312 WeakPolarHBondContact OD2-CD 3.34Å; D274-R312 WeakPolarHBondContact OD2-CG 3.39Å |
| 275 | P | 71.7 | Confident | 76.5 | Confident | 56 Ų | 56 | 15.7 Ų | 15.7 | 36% | 0.364 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -62.4 | -14.5 | 177.1 | -22.5 | 34.7 | 0 | 0 | 0 | 115.5 | L272 | L272-P275 WeakPolarHBondContact O-CD 2.98Å |
| 276 | F | 74.3 | Confident | 75.9 | Confident | 10 Ų | 10 | 18.7 Ų | 18.7 | 4% | 0.044 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -105.9 | -28.5 | -178.9 | -54.1 | -76.9 | 0 | 0 | 0 | 112.8 | A273 D274 L482 S485 L486 S489 A490 | A273-F276 WeakPolarHBondContact O-CA 3.32Å; A273-F276 WeakPolarHBondContact O-CB 3.4Å; A273-F276 PolarHBondContact O-N 3.18Å; D274-F276 PolarHBondContact O-N 3.07Å; F276-L482 HydrophobicContact CB-CD1 3.51Å; F276-L482 HydrophobicContact CD2-CD1 4.44Å; F276-L482 HydrophobicContact CG-CD1 4.16Å; F276-S485 VanDerWaalsContact CE1-CB 3.48Å; F276-S485 WeakPolarHBondContact CZ-O 3.47Å; F276-L486 HydrophobicContact CD2-CD1 3.51Å; F276-L486 HydrophobicContact CD2-CG 4.16Å; F276-L486 HydrophobicContact CE2-CD1 3.8Å; F276-L486 HydrophobicContact CE2-CG 3.99Å; F276-L486 HydrophobicContact CG-CD1 4.13Å; F276-S489 VanDerWaalsContact CE1-OG 3.23Å; F276-S489 WeakPolarHBondContact CE1-OG 3.4Å; F276-S489 VanDerWaalsContact CZ-OG 3.25Å; F276-S489 WeakPolarHBondContact CZ-OG 3.31Å; F276-A490 HydrophobicContact CE2-CB 4.24Å |
| 277 | L | 78 | Confident | 75 | Confident | 12 Ų | 12 | 20.2 Ų | 20.2 | 6% | 0.063 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -96.5 | -19.3 | 178.8 | -64.3 | 179 | 0 | 0 | 0 | 112.4 | A273 D274 I279 N339 L482 | A273-L277 HydrophobicContact CB-CD1 3.67Å; A273-L277 HydrophobicContact CB-CG 4.17Å; A273-L277 PolarHBondContact O-N 2.89Å; D274-L277 PolarHBondContact O-N 2.85Å; L277-I279 HydrophobicContact CB-CD1 4.27Å; L277-I279 HydrophobicContact CB-CG1 3.94Å; L277-I279 HydrophobicContact CD1-CD1 4.17Å; L277-N339 HydrophobicContact CD1-CB 4.35Å; L277-N339 PolarHBondContact O-OD1 3.49Å; L277-L482 HydrophobicContact CD2-CD1 4.19Å; L277-L482 HydrophobicContact CD2-CD2 4.24Å; L277-L482 HydrophobicContact CG-CD1 4.25Å |
| 278 | G | 72.7 | Confident | 73.7 | Confident | 13 Ų | 13 | 24.6 Ų | 24.6 | 13% | 0.134 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 39.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | D274 D281 C282 | D274-G278 WeakPolarHBondContact O-CA 3.27Å; D274-G278 PolarHBondContact O-N 2.9Å; G278-D281 PolarHBondContact O-N 3.01Å; G278-C282 WeakPolarHBondContact O-CB 3.3Å; G278-C282 PolarHBondContact O-N 3.26Å; G278-C282 PolarHBondContact O-SG 3.45Å |
| 279 | I | 80 | Confident | 72.5 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.1 | -46.6 | -176.8 | -63.6 | 164 | 0 | 0 | 0 | 109.7 | L270 D274 L277 D281 C282 L283 L314 V335 | L270-I279 HydrophobicContact CB-CD1 4.28Å; L270-I279 HydrophobicContact CD2-CD1 4.03Å; D274-I279 HydrophobicContact CB-CB 4.4Å; D274-I279 HydrophobicContact CB-CD1 4.4Å; D274-I279 WeakPolarHBondContact OD1-CA 3.36Å; D274-I279 VanDerWaalsContact OD1-CB 3.3Å; D274-I279 WeakPolarHBondContact OD1-CB 3.48Å; D274-I279 PolarHBondContact OD1-N 2.78Å; L277-I279 HydrophobicContact CB-CD1 4.27Å; L277-I279 HydrophobicContact CB-CG1 3.94Å; L277-I279 HydrophobicContact CD1-CD1 4.17Å; I279-D281 VanDerWaalsContact C-N 3.34Å; I279-D281 PolarHBondContact O-N 3.06Å; I279-C282 WeakPolarHBondContact O-CB 3.48Å; I279-C282 PolarHBondContact O-N 3.27Å; I279-L283 HydrophobicContact CG2-CD1 4.13Å; I279-L283 WeakPolarHBondContact O-CG 3.34Å; I279-L283 PolarHBondContact O-N 3.14Å; I279-L314 HydrophobicContact CG2-CD1 4.26Å; I279-L314 HydrophobicContact CG2-CD2 4.31Å; I279-V335 HydrophobicContact CG2-CG1 3.98Å |
| 280 | S | 78.5 | Confident | 70.9 | Confident | 4 Ų | 4 | 32.5 Ų | 32.5 | 3% | 0.028 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.9 | -41.3 | 176 | -69.4 | 0 | 0 | 0 | 0 | 111.8 | D274 L283 T284 R312 N313 | D274-S280 VanDerWaalsContact CG-OG 3.3Å; D274-S280 PolarHBondContact OD1-N 2.91Å; D274-S280 PolarHBondContact OD1-OG 2.9Å; D274-S280 WeakPolarHBondContact OD2-CB 3.38Å; D274-S280 PolarHBondContact OD2-OG 3.48Å; S280-L283 PolarHBondContact O-N 2.82Å; S280-T284 WeakPolarHBondContact O-CG2 3.18Å; S280-T284 PolarHBondContact O-N 3.35Å; S280-R312 WeakPolarHBondContact OG-CA 3.25Å; S280-N313 PolarHBondContact OG-N 3.42Å |
| 281 | D | 71.1 | Confident | 69 | Low | 48 Ų | 48 | 36.6 Ų | 36.6 | 26% | 0.257 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63.8 | -47.1 | 176.7 | -65.9 | -16.5 | 0 | 0 | 0 | 110.6 | G278 I279 L283 T284 I285 T395 | G278-D281 PolarHBondContact O-N 3.01Å; I279-D281 VanDerWaalsContact C-N 3.34Å; I279-D281 PolarHBondContact O-N 3.06Å; D281-L283 VanDerWaalsContact C-N 3.28Å; D281-L283 PolarHBondContact O-N 2.94Å; D281-T284 PolarHBondContact O-N 3.47Å; D281-T284 PolarHBondContact O-OG1 3.46Å; D281-I285 WeakPolarHBondContact O-CG1 3.46Å; D281-I285 PolarHBondContact O-N 2.71Å; D281-T395 HydrophobicContact CB-CG2 4.11Å |
| 282 | C | 70.6 | Confident | 67.1 | Low | 4 Ų | 4 | 41.1 Ų | 41.1 | 3% | 0.027 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.5 | -42.4 | 174.1 | -70.2 | 0 | 0 | 0 | 0 | 111.9 | G278 I279 I285 Y286 V335 T395 | G278-C282 WeakPolarHBondContact O-CB 3.3Å; G278-C282 PolarHBondContact O-N 3.26Å; G278-C282 PolarHBondContact O-SG 3.45Å; I279-C282 WeakPolarHBondContact O-CB 3.48Å; I279-C282 PolarHBondContact O-N 3.27Å; C282-I285 PolarHBondContact O-N 2.95Å; C282-Y286 WeakPolarHBondContact O-CB 3.47Å; C282-Y286 PolarHBondContact O-N 2.53Å; C282-V335 HydrophobicContact CB-CG1 3.44Å; C282-V335 VanDerWaalsContact CB-CG1 3.44Å; C282-V335 HydrophobicContact CB-CG2 4.28Å; C282-T395 WeakPolarHBondContact SG-CB 3.5Å |
| 283 | L | 76.5 | Confident | 65.3 | Low | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.5 | -42.9 | 177.4 | -76 | 169.4 | 0 | 0 | 0 | 111.9 | I279 S280 D281 S287 L331 V332 V335 | I279-L283 HydrophobicContact CG2-CD1 4.13Å; I279-L283 WeakPolarHBondContact O-CG 3.34Å; I279-L283 PolarHBondContact O-N 3.14Å; S280-L283 PolarHBondContact O-N 2.82Å; D281-L283 VanDerWaalsContact C-N 3.28Å; D281-L283 PolarHBondContact O-N 2.94Å; L283-S287 WeakPolarHBondContact O-CB 3.25Å; L283-S287 PolarHBondContact O-N 3.21Å; L283-L331 HydrophobicContact CD2-CD2 4.22Å; L283-L331 HydrophobicContact CD2-CG 4.04Å; L283-V332 HydrophobicContact CD1-CG2 4.31Å; L283-V332 HydrophobicContact CD2-CB 4.46Å; L283-V332 HydrophobicContact CD2-CG2 3.82Å; L283-V335 HydrophobicContact CD2-CB 4.3Å; L283-V335 HydrophobicContact CD2-CG2 3.87Å; L283-V335 HydrophobicContact CG-CB 4.47Å; L283-V335 HydrophobicContact CG-CG1 4.36Å; L283-V335 HydrophobicContact CG-CG2 4.28Å |
| 284 | T | 69.7 | Low | 63.3 | Low | 48 Ų | 48 | 50.4 Ų | 50.4 | 29% | 0.294 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 175.8 | 59.7 | 0 | 0 | 0 | 0 | 112.1 | S280 D281 Y286 N288 N313 | S280-T284 WeakPolarHBondContact O-CG2 3.18Å; S280-T284 PolarHBondContact O-N 3.35Å; D281-T284 PolarHBondContact O-N 3.47Å; D281-T284 PolarHBondContact O-OG1 3.46Å; T284-Y286 VanDerWaalsContact C-N 3.34Å; T284-Y286 PolarHBondContact O-N 3.44Å; T284-N288 WeakPolarHBondContact O-CB 3.48Å; T284-N288 PolarHBondContact O-N 2.63Å; T284-N313 WeakPolarHBondContact CG2-ND2 3.48Å |
| 285 | I | 66.5 | Low | 61.3 | Low | 72 Ų | 72 | 57.5 Ų | 57.5 | 37% | 0.369 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.9 | -44 | -178.2 | -67.8 | 168.4 | 0 | 0 | 0 | 109.9 | D281 C282 K289 T395 | D281-I285 WeakPolarHBondContact O-CG1 3.46Å; D281-I285 PolarHBondContact O-N 2.71Å; C282-I285 PolarHBondContact O-N 2.95Å; I285-K289 WeakPolarHBondContact O-CB 3.35Å; I285-K289 PolarHBondContact O-N 2.69Å; I285-T395 HydrophobicContact CD1-CG2 3.75Å |
| 286 | Y | 63.6 | Low | 59.5 | Low | 73 Ų | 73 | 62 Ų | 62 | 29% | 0.286 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -75.3 | -39.4 | -178.1 | -160.3 | -78.2 | 0 | 0 | 0 | 112.2 | C282 T284 N288 K289 N290 L331 V398 | C282-Y286 WeakPolarHBondContact O-CB 3.47Å; C282-Y286 PolarHBondContact O-N 2.53Å; T284-Y286 VanDerWaalsContact C-N 3.34Å; T284-Y286 PolarHBondContact O-N 3.44Å; Y286-N288 VanDerWaalsContact C-N 3.31Å; Y286-N288 PolarHBondContact O-N 3.11Å; Y286-K289 PolarHBondContact O-N 3.29Å; Y286-N290 WeakPolarHBondContact O-CB 3.42Å; Y286-N290 PolarHBondContact O-N 3.21Å; Y286-L331 HydrophobicContact CD1-CD1 3.17Å; Y286-L331 HydrophobicContact CD1-CD2 3.49Å; Y286-L331 VanDerWaalsContact CD1-CD2 3.49Å; Y286-L331 HydrophobicContact CD1-CG 3.94Å; Y286-L331 HydrophobicContact CD2-CD1 4.19Å; Y286-L331 HydrophobicContact CE1-CD1 3.44Å; Y286-L331 VanDerWaalsContact CE1-CD1 3.44Å; Y286-L331 HydrophobicContact CE1-CD2 4.26Å; Y286-L331 HydrophobicContact CE1-CG 4.43Å; Y286-L331 HydrophobicContact CE2-CD1 4.41Å; Y286-L331 HydrophobicContact CG-CD1 3.56Å; Y286-L331 HydrophobicContact CG-CD2 4.17Å; Y286-L331 HydrophobicContact CG-CG 4.47Å; Y286-V398 HydrophobicContact CD2-CB 3.97Å; Y286-V398 HydrophobicContact CD2-CG2 3.71Å; Y286-V398 HydrophobicContact CE2-CB 4.03Å; Y286-V398 HydrophobicContact CE2-CG1 4.48Å; Y286-V398 HydrophobicContact CE2-CG2 4.29Å; Y286-V398 HydrophobicContact CG-CG2 4.34Å |
| 287 | S | 63.5 | Low | 57.6 | Low | 35 Ų | 35 | 68.6 Ų | 68.6 | 25% | 0.245 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.3 | -42.8 | 172.1 | 178.8 | 0 | 0 | 0 | 0 | 111.1 | L283 N290 N291 | L283-S287 WeakPolarHBondContact O-CB 3.25Å; L283-S287 PolarHBondContact O-N 3.21Å; S287-N290 PolarHBondContact O-N 3Å; S287-N291 WeakPolarHBondContact O-CB 3.33Å; S287-N291 PolarHBondContact O-N 2.78Å |
| 288 | N | 54.9 | Low | 55.5 | Low | 92 Ų | 92 | 75 Ų | 75 | 49% | 0.492 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -72.6 | -33.8 | 178.2 | -157.3 | 33.9 | 0 | 0 | 0 | 112.5 | T284 Y286 N290 N291 N292 | T284-N288 WeakPolarHBondContact O-CB 3.48Å; T284-N288 PolarHBondContact O-N 2.63Å; Y286-N288 VanDerWaalsContact C-N 3.31Å; Y286-N288 PolarHBondContact O-N 3.11Å; N288-N290 VanDerWaalsContact C-N 3.3Å; N288-N290 PolarHBondContact O-N 2.74Å; N288-N291 PolarHBondContact O-N 3.34Å; N288-N292 WeakPolarHBondContact O-CB 3.42Å; N288-N292 PolarHBondContact O-N 3.39Å |
| 289 | K | 51 | Low | 53.5 | Low | 140 Ų | 140 | 78.4 Ų | 78.4 | 61% | 0.609 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -64 | -37.5 | 172.7 | -171.6 | 176.3 | -178 | -177.9 | 0 | 111.5 | I285 Y286 | I285-K289 WeakPolarHBondContact O-CB 3.35Å; I285-K289 PolarHBondContact O-N 2.69Å; Y286-K289 PolarHBondContact O-N 3.29Å |
| 290 | N | 47.4 | Very low | 51.4 | Low | 45 Ų | 45 | 82.2 Ų | 82.2 | 24% | 0.241 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -72.6 | -37.7 | 173.8 | -86 | 19.5 | 0 | 0 | 0 | 112.3 | Y286 S287 N288 N293 N299 | Y286-N290 WeakPolarHBondContact O-CB 3.42Å; Y286-N290 PolarHBondContact O-N 3.21Å; S287-N290 PolarHBondContact O-N 3Å; N288-N290 VanDerWaalsContact C-N 3.3Å; N288-N290 PolarHBondContact O-N 2.74Å; N290-N293 PolarHBondContact O-N 3.28Å; N290-N299 PolarHBondContact ND2-OD1 2.88Å |
| 291 | N | 42.4 | Very low | 49.5 | Very low | 88 Ų | 88 | 85 Ų | 85 | 47% | 0.471 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -72.8 | -32.3 | 177.2 | -84.4 | -4.8 | 0 | 0 | 0 | 113.9 | S287 N288 N293 | S287-N291 WeakPolarHBondContact O-CB 3.33Å; S287-N291 PolarHBondContact O-N 2.78Å; N288-N291 PolarHBondContact O-N 3.34Å; N291-N293 PolarHBondContact O-N 3Å |
| 292 | N | 40.5 | Very low | 47.9 | Very low | 99 Ų | 99 | 85 Ų | 85 | 53% | 0.529 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -67.8 | -21.1 | 173.7 | -78.8 | -4.5 | 0 | 0 | 0 | 111.7 | N288 N294 | N288-N292 WeakPolarHBondContact O-CB 3.42Å; N288-N292 PolarHBondContact O-N 3.39Å; N292-N294 VanDerWaalsContact C-N 3.27Å; N292-N294 PolarHBondContact O-N 2.9Å |
| 293 | N | 40.4 | Very low | 46.1 | Very low | 115 Ų | 115 | 88.5 Ų | 88.5 | 62% | 0.615 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -81.6 | 78.3 | 168.4 | -76.6 | -14.7 | 0 | 0 | 0 | 110 | N290 N291 | N290-N293 PolarHBondContact O-N 3.28Å; N291-N293 PolarHBondContact O-N 3Å |
| 294 | N | 36.9 | Very low | 44 | Very low | 96 Ų | 96 | 93.8 Ų | 93.8 | 51% | 0.513 | 50% | 0.498 | S | S | . | . | trans | 72.9 | 130 | 165.9 | -62.1 | -21.2 | 0 | 0 | 0 | 118 | N292 N296 | N292-N294 VanDerWaalsContact C-N 3.27Å; N292-N294 PolarHBondContact O-N 2.9Å; N294-N296 PolarHBondContact O-N 3.3Å | ||
| 295 | N | 36.6 | Very low | 42.2 | Very low | 154 Ų | 154 | 97 Ų | 97 | 82% | 0.824 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -19.4 | 100.4 | 140.6 | -64 | -27.7 | 0 | 0 | 0 | 112.5 | ||
| 296 | N | 35.5 | Very low | 40.7 | Very low | 150 Ų | 150 | 98.7 Ų | 98.7 | 80% | 0.802 | 52% | 0.523 | S | S | * | . | trans | 163.7 | 125.3 | 139.3 | -79.1 | -19.3 | 0 | 0 | 0 | 106.7 | N294 H298 | N294-N296 PolarHBondContact O-N 3.3Å; N296-H298 PolarHBondContact O-N 3.47Å; N296-H298 VanDerWaalsContact O-N 3.12Å | ||
| 297 | N | 32.8 | Very low | 39.1 | Very low | 148 Ų | 148 | 103.1 Ų | 103.1 | 79% | 0.791 | 55% | 0.552 | S | S | * | * | trans | -40 | 120.1 | 166.3 | -52.8 | -43.7 | 0 | 0 | 0 | 108.6 | ||||
| 298 | H | 34.1 | Very low | 37.8 | Very low | 147 Ų | 147 | 104.5 Ų | 104.5 | 68% | 0.681 | 56% | 0.559 | S | S | * | * | trans | 161.9 | 68.4 | 154.7 | -78.4 | -43.8 | 0 | 0 | 0 | 109.3 | L238 N296 | L238-H298 HydrophobicContact CD1-CB 3.98Å; N296-H298 PolarHBondContact O-N 3.47Å; N296-H298 VanDerWaalsContact O-N 3.12Å | ||
| 299 | N | 30.7 | Very low | 37.1 | Very low | 85 Ų | 85 | 107.6 Ų | 107.6 | 46% | 0.455 | 58% | 0.575 | S | S | . | * | trans | -116.5 | 118.7 | 152.6 | -84.4 | -66.6 | 0 | 0 | 0 | 107.8 | N290 I301 | N290-N299 PolarHBondContact ND2-OD1 2.88Å; N299-I301 PolarHBondContact O-N 3.36Å | ||
| 300 | L | 36.1 | Very low | 36.7 | Very low | 80 Ų | 80 | 104.8 Ų | 104.8 | 42% | 0.419 | 56% | 0.564 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -40.1 | 120.3 | 179.7 | -86.5 | 89.1 | 0 | 0 | 0 | 112.2 | W241 V302 | W241-L300 HydrophobicContact CH2-CD2 4.06Å; W241-L300 HydrophobicContact CZ3-CD2 4.25Å; L300-V302 VanDerWaalsContact C-N 3.32Å; L300-V302 PolarHBondContact O-N 2.92Å; L300-V302 VanDerWaalsContact O-N 3.08Å |
| 301 | I | 38.8 | Very low | 36.9 | Very low | 62 Ų | 62 | 106.8 Ų | 106.8 | 32% | 0.318 | 58% | 0.582 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 58.6 | 37.6 | 144.5 | -36.3 | 179.1 | 0 | 0 | 0 | 114.5 | N299 I321 | N299-I301 PolarHBondContact O-N 3.36Å; I301-I321 HydrophobicContact CD1-CG2 3.41Å; I301-I321 VanDerWaalsContact CD1-CG2 3.41Å; I301-I321 HydrophobicContact CG2-CB 4.49Å; I301-I321 HydrophobicContact CG2-CD1 3.8Å; I301-I321 HydrophobicContact CG2-CG2 4.21Å |
| 302 | V | 37 | Very low | 38 | Very low | 48 Ų | 48 | 104.1 Ų | 104.1 | 29% | 0.291 | 57% | 0.565 | S | S | . | * | trans | -112.3 | 95.8 | 149.4 | -176.6 | 0 | 0 | 0 | 0 | 104.7 | L300 S304 | L300-V302 VanDerWaalsContact C-N 3.32Å; L300-V302 PolarHBondContact O-N 2.92Å; L300-V302 VanDerWaalsContact O-N 3.08Å; V302-S304 VanDerWaalsContact C-N 3.32Å; V302-S304 PolarHBondContact O-N 3.43Å | ||
| 303 | N | 32.6 | Very low | 39.4 | Very low | 77 Ų | 77 | 103 Ų | 103 | 41% | 0.412 | 56% | 0.559 | S | S | . | * | trans | -50.2 | 102.1 | 168.6 | -82.4 | -20.7 | 0 | 0 | 0 | 107.5 | L305 D520 | N303-L305 HydrophobicContact CB-CB 4.48Å; N303-L305 PolarHBondContact O-N 3.07Å; N303-D520 PolarHBondContact ND2-OD1 3.36Å | ||
| 304 | S | 32.4 | Very low | 41.3 | Very low | 115 Ų | 115 | 97.8 Ų | 97.8 | 80% | 0.804 | 53% | 0.531 | S | S | * | . | trans | -70.2 | 20.8 | 168.8 | -167.3 | 0 | 0 | 0 | 0 | 111.1 | V302 N306 | V302-S304 VanDerWaalsContact C-N 3.32Å; V302-S304 PolarHBondContact O-N 3.43Å; S304-N306 PolarHBondContact O-N 3.12Å; S304-N306 VanDerWaalsContact O-N 3.13Å | ||
| 305 | L | 32.9 | Very low | 43.1 | Very low | 117 Ų | 117 | 93.7 Ų | 93.7 | 61% | 0.613 | 51% | 0.51 | S | S | * | . | trans | -75 | 108.1 | 175.9 | -100.5 | 74.6 | 0 | 0 | 0 | 109 | N303 | N303-L305 HydrophobicContact CB-CB 4.48Å; N303-L305 PolarHBondContact O-N 3.07Å | ||
| 306 | N | 33.9 | Very low | 45.3 | Very low | 107 Ų | 107 | 86.5 Ų | 86.5 | 57% | 0.572 | 47% | 0.471 | S | S | * | . | trans | 69.3 | 94.6 | 150.2 | -57 | -28.9 | 0 | 0 | 0 | 114.5 | S304 T308 | S304-N306 PolarHBondContact O-N 3.12Å; S304-N306 VanDerWaalsContact O-N 3.13Å; N306-T308 HydrophobicContact CB-CG2 3.96Å; N306-T308 PolarHBondContact O-N 2.74Å; N306-T308 PolarHBondContact O-OG1 2.97Å | ||
| 307 | N | 30.9 | Very low | 47.3 | Very low | 166 Ų | 166 | 81.5 Ų | 81.5 | 89% | 0.888 | 44% | 0.443 | S | S | * | . | trans | -58.7 | 44.5 | 157.2 | -168.3 | 15.5 | 0 | 0 | 0 | 112.6 | ||||
| 308 | T | 36.7 | Very low | 49.5 | Very low | 64 Ų | 64 | 75 Ų | 75 | 39% | 0.393 | 41% | 0.408 | S | S | . | . | trans | -105 | 96.1 | -176.6 | 54.8 | 0 | 0 | 0 | 0 | 109.3 | N306 H310 I519 | N306-T308 HydrophobicContact CB-CG2 3.96Å; N306-T308 PolarHBondContact O-N 2.74Å; N306-T308 PolarHBondContact O-OG1 2.97Å; T308-H310 PolarHBondContact O-N 3.31Å; T308-I519 WeakPolarHBondContact O-CD1 3.41Å | ||
| 309 | N | 39.6 | Very low | 51.8 | Low | 156 Ų | 156 | 68.1 Ų | 68.1 | 83% | 0.834 | 38% | 0.376 | S | S | * | . | S | Bend | trans | 73.3 | 8.7 | 150.3 | -51.8 | -31.9 | 0 | 0 | 0 | 120 | ||
| 310 | H | 42 | Very low | 54.3 | Low | 82 Ų | 82 | 64.2 Ų | 64.2 | 38% | 0.38 | 36% | 0.355 | S | S | . | . | trans | -121.3 | 127.9 | 154 | -114.5 | 38.8 | 0 | 0 | 0 | 110.2 | W271 T308 R312 N515 I519 | W271-H310 AromaticContact CZ2-NE2 3.87Å; T308-H310 PolarHBondContact O-N 3.31Å; H310-R312 PolarHBondContact O-N 3.25Å; H310-N515 PolarHBondContact NE2-O 3.27Å; H310-I519 HydrophobicContact CB-CD1 4.04Å | ||
| 311 | S | 52.7 | Low | 56.2 | Low | 87 Ų | 87 | 61.6 Ų | 61.6 | 61% | 0.608 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -72.2 | 15.2 | -177.7 | 65.3 | 0 | 0 | 0 | 0 | 113.3 | ||
| 312 | R | 66.3 | Low | 58 | Low | 32 Ų | 32 | 58.9 Ų | 58.9 | 12% | 0.121 | 33% | 0.328 | C | S | . | . | trans | -132.7 | 133.1 | -169.1 | -57.8 | -170.2 | -168.6 | 167.6 | 12.6 | 109.7 | W271 D274 S280 H310 D491 | W271-R312 VanDerWaalsContact CD2-NH1 3.3Å; W271-R312 VanDerWaalsContact CE2-NH1 3.34Å; W271-R312 VanDerWaalsContact CE3-NH1 3.3Å; W271-R312 VanDerWaalsContact CH2-NH1 3.29Å; W271-R312 VanDerWaalsContact CZ3-NH1 3.29Å; W271-R312 PolarHBondContact O-NH1 3.07Å; D274-R312 WeakPolarHBondContact OD2-CD 3.34Å; D274-R312 WeakPolarHBondContact OD2-CG 3.39Å; S280-R312 WeakPolarHBondContact OG-CA 3.25Å; H310-R312 PolarHBondContact O-N 3.25Å; R312-D491 IonicContact NH2-OD2 2.66Å; R312-D491 PolarHBondContact NH2-OD2 2.92Å; R312-D491 VanDerWaalsContact NH2-OD2 3.16Å | ||
| 313 | N | 69.7 | Low | 60.2 | Low | 76 Ų | 76 | 56.8 Ų | 56.8 | 41% | 0.406 | 32% | 0.316 | S | S | . | . | trans | -103.4 | 10.5 | -176.8 | -70.6 | 6.5 | 0 | 0 | 0 | 112.9 | S280 T284 | S280-N313 PolarHBondContact OG-N 3.42Å; T284-N313 WeakPolarHBondContact CG2-ND2 3.48Å | ||
| 314 | L | 78.5 | Confident | 62.2 | Low | 5 Ų | 5 | 53.5 Ų | 53.5 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | trans | -93.3 | 102.1 | 177.5 | -179 | 65.6 | 0 | 0 | 0 | 110.6 | Y267 L270 I279 V332 | Y267-L314 HydrophobicContact CE2-CD2 4.45Å; Y267-L314 HydrophobicContact CE2-CG 4.02Å; Y267-L314 PolarHBondContact OH-O 2.86Å; L270-L314 HydrophobicContact CB-CD2 3.77Å; I279-L314 HydrophobicContact CG2-CD1 4.26Å; I279-L314 HydrophobicContact CG2-CD2 4.31Å; L314-V332 HydrophobicContact CD1-CG1 3.7Å | ||
| 315 | S | 75.5 | Confident | 63.9 | Low | 10 Ų | 10 | 48.8 Ų | 48.8 | 7% | 0.07 | 27% | 0.266 | C | S | . | . | trans | -95.2 | 152.1 | 173.9 | 88.7 | 0 | 0 | 0 | 0 | 111.8 | F317 D318 | S315-F317 VanDerWaalsContact C-N 3.27Å; S315-F317 PolarHBondContact OG-N 3.39Å; S315-D318 WeakPolarHBondContact CB-OD2 3.29Å; S315-D318 WeakPolarHBondContact OG-CB 3.44Å; S315-D318 PolarHBondContact OG-N 3.44Å; S315-D318 PolarHBondContact OG-OD2 3.37Å | ||
| 316 | L | 82.4 | Confident | 65.7 | Low | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.3 | -36 | 173.5 | 175.2 | 60.7 | 0 | 0 | 0 | 110.5 | L264 Y267 L319 E320 T523 | L264-L316 HydrophobicContact CD1-CD2 4.15Å; Y267-L316 HydrophobicContact CD1-CB 4.01Å; Y267-L316 HydrophobicContact CD1-CD1 4.1Å; Y267-L316 HydrophobicContact CD1-CG 4.47Å; Y267-L316 HydrophobicContact CD2-CB 4Å; Y267-L316 HydrophobicContact CD2-CD1 4.06Å; Y267-L316 HydrophobicContact CE1-CB 3.92Å; Y267-L316 VanDerWaalsContact CE2-CA 3.48Å; Y267-L316 HydrophobicContact CE2-CB 3.92Å; Y267-L316 HydrophobicContact CG-CB 4.05Å; Y267-L316 HydrophobicContact CG-CD1 3.65Å; Y267-L316 HydrophobicContact CG-CG 4.38Å; Y267-L316 PolarHBondContact OH-N 3.42Å; L316-L319 PolarHBondContact O-N 2.95Å; L316-E320 HydrophobicContact CD1-CG 4.25Å; L316-E320 HydrophobicContact CG-CG 4.37Å; L316-E320 VanDerWaalsContact O-CG 3.27Å; L316-E320 WeakPolarHBondContact O-CG 3.45Å; L316-E320 PolarHBondContact O-N 3.42Å; L316-T523 HydrophobicContact CB-CG2 4.46Å |
| 317 | F | 77.8 | Confident | 67.7 | Low | 46 Ų | 46 | 39 Ų | 39 | 20% | 0.202 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.9 | -45.4 | -178.3 | -170.6 | -119.4 | 0 | 0 | 0 | 112.3 | S315 L319 E320 I321 A522 T523 | S315-F317 VanDerWaalsContact C-N 3.27Å; S315-F317 PolarHBondContact OG-N 3.39Å; F317-L319 VanDerWaalsContact C-N 3.28Å; F317-L319 PolarHBondContact O-N 2.76Å; F317-E320 WeakPolarHBondContact O-CB 3.3Å; F317-E320 PolarHBondContact O-N 3.24Å; F317-I321 HydrophobicContact CD1-CD1 3.66Å; F317-I321 HydrophobicContact CD2-CD1 4.27Å; F317-I321 HydrophobicContact CE1-CD1 3.21Å; F317-I321 HydrophobicContact CE1-CG1 4.4Å; F317-I321 HydrophobicContact CE2-CD1 3.88Å; F317-I321 HydrophobicContact CE2-CG1 4.35Å; F317-I321 HydrophobicContact CG-CD1 4.19Å; F317-I321 HydrophobicContact CZ-CD1 3.35Å; F317-I321 HydrophobicContact CZ-CG1 4.28Å; F317-I321 WeakPolarHBondContact O-CG1 3.39Å; F317-I321 PolarHBondContact O-N 3.5Å; F317-A522 HydrophobicContact CD2-CB 4.18Å; F317-A522 HydrophobicContact CE2-CB 4.12Å; F317-A522 HydrophobicContact CZ-CB 4.43Å; F317-T523 HydrophobicContact CB-CG2 3.63Å; F317-T523 HydrophobicContact CD2-CG2 4.23Å; F317-T523 HydrophobicContact CG-CG2 4.33Å |
| 318 | D | 78.8 | Confident | 69.7 | Low | 11 Ų | 11 | 34.4 Ų | 34.4 | 6% | 0.059 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.8 | -33.4 | -178.8 | -56.8 | -37 | 0 | 0 | 0 | 111.5 | S315 G322 V332 | S315-D318 WeakPolarHBondContact CB-OD2 3.29Å; S315-D318 WeakPolarHBondContact OG-CB 3.44Å; S315-D318 PolarHBondContact OG-N 3.44Å; S315-D318 PolarHBondContact OG-OD2 3.37Å; D318-G322 PolarHBondContact O-N 3.24Å; D318-V332 HydrophobicContact CB-CG2 3.86Å |
| 319 | L | 82.9 | Confident | 71.3 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.2 | -41.1 | 174 | -175.8 | 64.2 | 0 | 0 | 0 | 111.6 | L263 V266 Y267 L270 L316 F317 G322 L323 L333 | L263-L319 HydrophobicContact CD1-CD2 4.04Å; L263-L319 HydrophobicContact CD1-CG 4.37Å; V266-L319 HydrophobicContact CG1-CD2 4.4Å; Y267-L319 HydrophobicContact CD2-CD2 4.31Å; L270-L319 HydrophobicContact CD1-CD2 4.33Å; L316-L319 PolarHBondContact O-N 2.95Å; F317-L319 VanDerWaalsContact C-N 3.28Å; F317-L319 PolarHBondContact O-N 2.76Å; L319-G322 PolarHBondContact O-N 3.4Å; L319-L323 WeakPolarHBondContact O-CG 3.41Å; L319-L323 PolarHBondContact O-N 2.93Å; L319-L323 VanDerWaalsContact O-N 3.13Å; L319-L333 HydrophobicContact CD1-CD1 4.32Å |
| 320 | E | 83.7 | Confident | 73.2 | Confident | 4 Ų | 4 | 27.4 Ų | 27.4 | 2% | 0.019 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.8 | -49.5 | 177.9 | -71.4 | 174.2 | 155.1 | 0 | 0 | 111.9 | I257 Y258 L263 L316 F317 G322 L323 C324 R526 | I257-E320 HydrophobicContact CG2-CB 4.23Å; I257-E320 HydrophobicContact CG2-CG 3.82Å; Y258-E320 WeakPolarHBondContact CE1-OE2 3.26Å; L263-E320 HydrophobicContact CD2-CG 3.73Å; L316-E320 HydrophobicContact CD1-CG 4.25Å; L316-E320 HydrophobicContact CG-CG 4.37Å; L316-E320 VanDerWaalsContact O-CG 3.27Å; L316-E320 WeakPolarHBondContact O-CG 3.45Å; L316-E320 PolarHBondContact O-N 3.42Å; F317-E320 WeakPolarHBondContact O-CB 3.3Å; F317-E320 PolarHBondContact O-N 3.24Å; E320-G322 VanDerWaalsContact C-N 3.25Å; E320-G322 PolarHBondContact O-N 3.46Å; E320-L323 PolarHBondContact O-N 2.72Å; E320-C324 WeakPolarHBondContact O-CB 3.03Å; E320-C324 PolarHBondContact O-N 2.69Å; E320-R526 VanDerWaalsContact CD-NH1 3.32Å; E320-R526 IonicContact OE1-CZ 3.72Å; E320-R526 IonicContact OE1-NH1 3.73Å; E320-R526 PolarHBondContact OE1-NH1 3.43Å; E320-R526 IonicContact OE1-NH2 3.69Å; E320-R526 IonicContact OE2-CZ 3.29Å; E320-R526 IonicContact OE2-NH1 2.74Å; E320-R526 PolarHBondContact OE2-NH1 3.48Å; E320-R526 IonicContact OE2-NH2 3.52Å; E320-R526 PolarHBondContact OE2-NH2 3.01Å |
| 321 | I | 75.3 | Confident | 75 | Confident | 25 Ų | 25 | 24.9 Ų | 24.9 | 13% | 0.128 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.5 | -39.1 | 177.1 | -68.9 | 173.7 | 0 | 0 | 0 | 110.8 | I301 F317 L323 C324 S325 | I301-I321 HydrophobicContact CD1-CG2 3.41Å; I301-I321 VanDerWaalsContact CD1-CG2 3.41Å; I301-I321 HydrophobicContact CG2-CB 4.49Å; I301-I321 HydrophobicContact CG2-CD1 3.8Å; I301-I321 HydrophobicContact CG2-CG2 4.21Å; F317-I321 HydrophobicContact CD1-CD1 3.66Å; F317-I321 HydrophobicContact CD2-CD1 4.27Å; F317-I321 HydrophobicContact CE1-CD1 3.21Å; F317-I321 HydrophobicContact CE1-CG1 4.4Å; F317-I321 HydrophobicContact CE2-CD1 3.88Å; F317-I321 HydrophobicContact CE2-CG1 4.35Å; F317-I321 HydrophobicContact CG-CD1 4.19Å; F317-I321 HydrophobicContact CZ-CD1 3.35Å; F317-I321 HydrophobicContact CZ-CG1 4.28Å; F317-I321 WeakPolarHBondContact O-CG1 3.39Å; F317-I321 PolarHBondContact O-N 3.5Å; I321-L323 PolarHBondContact O-N 3.12Å; I321-C324 PolarHBondContact O-N 3.46Å; I321-S325 WeakPolarHBondContact CG2-OG 3.45Å; I321-S325 PolarHBondContact O-N 3.44Å; I321-S325 PolarHBondContact O-OG 3.12Å |
| 322 | G | 77.1 | Confident | 76.5 | Confident | 5 Ų | 5 | 21 Ų | 21 | 5% | 0.052 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.3 | -34.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D318 L319 E320 A326 P327 S330 | D318-G322 PolarHBondContact O-N 3.24Å; L319-G322 PolarHBondContact O-N 3.4Å; E320-G322 VanDerWaalsContact C-N 3.25Å; E320-G322 PolarHBondContact O-N 3.46Å; G322-A326 CarbonylContact O-C 3.52Å; G322-P327 WeakPolarHBondContact O-CA 3.47Å; G322-S330 VanDerWaalsContact CA-CB 3.47Å; G322-S330 VanDerWaalsContact CA-OG 3.28Å; G322-S330 WeakPolarHBondContact CA-OG 3.48Å |
| 323 | L | 82.2 | Confident | 77.4 | Confident | 4 Ų | 4 | 19.5 Ų | 19.5 | 2% | 0.021 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -83.1 | -37.9 | 175.4 | -70.2 | 168.9 | 0 | 0 | 0 | 112.9 | I257 L263 L319 E320 I321 L333 F456 V465 I468 | I257-L323 HydrophobicContact CD1-CB 3.97Å; L263-L323 HydrophobicContact CD1-CD1 3.67Å; L319-L323 WeakPolarHBondContact O-CG 3.41Å; L319-L323 PolarHBondContact O-N 2.93Å; L319-L323 VanDerWaalsContact O-N 3.13Å; E320-L323 PolarHBondContact O-N 2.72Å; I321-L323 PolarHBondContact O-N 3.12Å; L323-L333 HydrophobicContact CD2-CD1 3.99Å; L323-L333 HydrophobicContact CD2-CD2 4.02Å; L323-F456 HydrophobicContact CD2-CE1 4.4Å; L323-F456 HydrophobicContact CD2-CZ 4.42Å; L323-V465 HydrophobicContact CD1-CG2 4.1Å; L323-I468 HydrophobicContact CD1-CD1 4.45Å; L323-I468 HydrophobicContact CD2-CD1 3.68Å |
| 324 | C | 75.3 | Confident | 78.2 | Confident | 7 Ų | 7 | 16.7 Ų | 16.7 | 5% | 0.047 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -71.6 | -39.7 | -176.6 | -93.8 | 0 | 0 | 0 | 0 | 114.6 | W245 Q254 I257 E320 I321 | W245-C324 HydrophobicContact CH2-CB 4.01Å; W245-C324 HydrophobicContact CZ3-CB 4.42Å; Q254-C324 VanDerWaalsContact CA-SG 3.53Å; Q254-C324 PolarHBondContact N-SG 2.78Å; Q254-C324 VanDerWaalsContact N-SG 3.38Å; I257-C324 HydrophobicContact CD1-CB 4.28Å; I257-C324 WeakPolarHBondContact CD1-SG 3.17Å; E320-C324 WeakPolarHBondContact O-CB 3.03Å; E320-C324 PolarHBondContact O-N 2.69Å; I321-C324 PolarHBondContact O-N 3.46Å |
| 325 | S | 68.8 | Low | 78.4 | Confident | 17 Ų | 17 | 16.5 Ų | 16.5 | 12% | 0.119 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -68.8 | -166.6 | -28.9 | 0 | 0 | 0 | 0 | 111.6 | W244 W245 I321 | W244-S325 VanDerWaalsContact CH2-O 3.26Å; W244-S325 WeakPolarHBondContact CH2-O 3.4Å; W245-S325 WeakPolarHBondContact CH2-OG 3.37Å; W245-S325 VanDerWaalsContact CZ3-CA 3.48Å; W245-S325 WeakPolarHBondContact CZ3-OG 3.25Å; I321-S325 WeakPolarHBondContact CG2-OG 3.45Å; I321-S325 PolarHBondContact O-N 3.44Å; I321-S325 PolarHBondContact O-OG 3.12Å |
| 326 | A | 70 | Confident | 79 | Confident | 12 Ų | 12 | 16.1 Ų | 16.1 | 10% | 0.099 | 10% | 0.096 | C | C | . | . | trans | -149.2 | 87.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | W244 G322 Q328 A329 S330 | W244-A326 HydrophobicContact CH2-CB 4.09Å; G322-A326 CarbonylContact O-C 3.52Å; A326-Q328 VanDerWaalsContact CA-OE1 3.3Å; A326-Q328 PolarHBondContact O-N 2.95Å; A326-A329 HydrophobicContact CB-CB 3.81Å; A326-A329 PolarHBondContact O-N 2.95Å; A326-S330 PolarHBondContact O-N 3.45Å | ||
| 327 | P | 75.7 | Confident | 79.3 | Confident | 6 Ų | 6 | 16.1 Ų | 16.1 | 4% | 0.039 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -18.6 | 173.1 | 26.6 | -36.9 | 0 | 0 | 0 | 112.1 | G322 L333 Y401 F456 H457 | G322-P327 WeakPolarHBondContact O-CA 3.47Å; P327-L333 HydrophobicContact CB-CD2 3.44Å; P327-L333 VanDerWaalsContact CB-CD2 3.44Å; P327-Y401 HydrophobicContact CB-CE2 4.39Å; P327-Y401 WeakPolarHBondContact O-CD2 3.46Å; P327-F456 HydrophobicContact CB-CD1 4.19Å; P327-F456 HydrophobicContact CB-CE1 4.09Å; P327-F456 HydrophobicContact CG-CD1 4.42Å; P327-H457 HydrophobicContact CG-CB 3.52Å |
| 328 | Q | 73.3 | Confident | 79.6 | Confident | 69 Ų | 69 | 14 Ų | 14 | 32% | 0.322 | 9% | 0.087 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -34.4 | 173.8 | -42.7 | 87.3 | -19.2 | 0 | 0 | 113.1 | A326 Y401 H457 | A326-Q328 VanDerWaalsContact CA-OE1 3.3Å; A326-Q328 PolarHBondContact O-N 2.95Å; Q328-Y401 VanDerWaalsContact CA-CD2 3.41Å; Q328-Y401 HydrophobicContact CB-CD1 4.09Å; Q328-Y401 HydrophobicContact CB-CD2 4.02Å; Q328-Y401 HydrophobicContact CB-CE1 4.47Å; Q328-Y401 HydrophobicContact CB-CE2 4.35Å; Q328-Y401 HydrophobicContact CB-CG 3.87Å; Q328-Y401 HydrophobicContact CG-CD1 3.84Å; Q328-Y401 HydrophobicContact CG-CD2 4.05Å; Q328-Y401 HydrophobicContact CG-CE1 3.73Å; Q328-Y401 HydrophobicContact CG-CE2 3.89Å; Q328-Y401 HydrophobicContact CG-CG 4.02Å; Q328-H457 PolarHBondContact NE2-CD2 3.36Å; Q328-H457 PolarHBondContact NE2-ND1 3.44Å |
| 329 | A | 69.3 | Low | 79.8 | Confident | 59 Ų | 59 | 13.7 Ų | 13.7 | 49% | 0.488 | 9% | 0.085 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -16.1 | -178 | 0 | 0 | 0 | 0 | 0 | 113.1 | A326 L331 | A326-A329 HydrophobicContact CB-CB 3.81Å; A326-A329 PolarHBondContact O-N 2.95Å; A329-L331 PolarHBondContact O-N 3.28Å |
| 330 | S | 80.2 | Confident | 80 | Confident | 14 Ų | 14 | 13.7 Ų | 13.7 | 10% | 0.098 | 9% | 0.085 | C | C | . | . | trans | -68.3 | 106.9 | -177.2 | -178 | 0 | 0 | 0 | 0 | 112.1 | G322 A326 V332 L333 N334 | G322-S330 VanDerWaalsContact CA-CB 3.47Å; G322-S330 VanDerWaalsContact CA-OG 3.28Å; G322-S330 WeakPolarHBondContact CA-OG 3.48Å; A326-S330 PolarHBondContact O-N 3.45Å; S330-V332 VanDerWaalsContact C-N 3.31Å; S330-V332 PolarHBondContact O-N 3.39Å; S330-L333 PolarHBondContact O-N 3.04Å; S330-L333 WeakPolarHBondContact OG-CB 3.4Å; S330-L333 PolarHBondContact OG-N 2.92Å; S330-L333 VanDerWaalsContact OG-N 3.11Å; S330-N334 WeakPolarHBondContact O-CB 3.11Å; S330-N334 VanDerWaalsContact O-CG 3.23Å; S330-N334 PolarHBondContact O-N 3.27Å; S330-N334 PolarHBondContact O-ND2 3.5Å | ||
| 331 | L | 80.2 | Confident | 80 | Confident | 29 Ų | 29 | 13.6 Ų | 13.6 | 15% | 0.152 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61 | -41.9 | 172.4 | 179.7 | 61.7 | 0 | 0 | 0 | 111.7 | L283 Y286 A329 L333 N334 V335 V398 | L283-L331 HydrophobicContact CD2-CD2 4.22Å; L283-L331 HydrophobicContact CD2-CG 4.04Å; Y286-L331 HydrophobicContact CD1-CD1 3.17Å; Y286-L331 HydrophobicContact CD1-CD2 3.49Å; Y286-L331 VanDerWaalsContact CD1-CD2 3.49Å; Y286-L331 HydrophobicContact CD1-CG 3.94Å; Y286-L331 HydrophobicContact CD2-CD1 4.19Å; Y286-L331 HydrophobicContact CE1-CD1 3.44Å; Y286-L331 VanDerWaalsContact CE1-CD1 3.44Å; Y286-L331 HydrophobicContact CE1-CD2 4.26Å; Y286-L331 HydrophobicContact CE1-CG 4.43Å; Y286-L331 HydrophobicContact CE2-CD1 4.41Å; Y286-L331 HydrophobicContact CG-CD1 3.56Å; Y286-L331 HydrophobicContact CG-CD2 4.17Å; Y286-L331 HydrophobicContact CG-CG 4.47Å; A329-L331 PolarHBondContact O-N 3.28Å; L331-L333 PolarHBondContact O-N 3.49Å; L331-N334 PolarHBondContact O-N 2.91Å; L331-V335 HydrophobicContact CD1-CG2 4.09Å; L331-V335 HydrophobicContact CG-CG2 4.3Å; L331-V335 VanDerWaalsContact O-CG2 3.28Å; L331-V335 WeakPolarHBondContact O-CG2 3.36Å; L331-V335 PolarHBondContact O-N 3.19Å; L331-V398 HydrophobicContact CD1-CG1 4.3Å |
| 332 | V | 83.9 | Confident | 80.3 | Confident | 5 Ų | 5 | 12.4 Ų | 12.4 | 3% | 0.03 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -59 | -48.3 | 178.2 | 177.9 | 0 | 0 | 0 | 0 | 110.7 | L283 L314 D318 S330 N334 V335 C336 | L283-V332 HydrophobicContact CD1-CG2 4.31Å; L283-V332 HydrophobicContact CD2-CB 4.46Å; L283-V332 HydrophobicContact CD2-CG2 3.82Å; L314-V332 HydrophobicContact CD1-CG1 3.7Å; D318-V332 HydrophobicContact CB-CG2 3.86Å; S330-V332 VanDerWaalsContact C-N 3.31Å; S330-V332 PolarHBondContact O-N 3.39Å; V332-N334 PolarHBondContact O-N 3.18Å; V332-V335 PolarHBondContact O-N 2.93Å; V332-C336 WeakPolarHBondContact O-CB 3.42Å; V332-C336 PolarHBondContact O-N 3.04Å; V332-C336 PolarHBondContact O-SG 2.62Å |
| 333 | L | 85.8 | Confident | 80.3 | Confident | 2 Ų | 2 | 14.5 Ų | 14.5 | 1% | 0.01 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.7 | -43.7 | 176.7 | -170.4 | 64.4 | 0 | 0 | 0 | 111.5 | L319 L323 P327 S330 L331 V335 C336 M337 W404 F456 I468 | L319-L333 HydrophobicContact CD1-CD1 4.32Å; L323-L333 HydrophobicContact CD2-CD1 3.99Å; L323-L333 HydrophobicContact CD2-CD2 4.02Å; P327-L333 HydrophobicContact CB-CD2 3.44Å; P327-L333 VanDerWaalsContact CB-CD2 3.44Å; S330-L333 PolarHBondContact O-N 3.04Å; S330-L333 WeakPolarHBondContact OG-CB 3.4Å; S330-L333 PolarHBondContact OG-N 2.92Å; S330-L333 VanDerWaalsContact OG-N 3.11Å; L331-L333 PolarHBondContact O-N 3.49Å; L333-V335 PolarHBondContact O-N 3.42Å; L333-C336 PolarHBondContact O-N 2.87Å; L333-M337 HydrophobicContact CD1-CG 4.06Å; L333-M337 HydrophobicContact CG-CG 4.15Å; L333-M337 VanDerWaalsContact O-CB 3.28Å; L333-M337 WeakPolarHBondContact O-CB 3.35Å; L333-M337 VanDerWaalsContact O-CG 3.24Å; L333-M337 WeakPolarHBondContact O-CG 3.5Å; L333-M337 PolarHBondContact O-N 3.38Å; L333-W404 HydrophobicContact CD2-CZ2 4.34Å; L333-F456 HydrophobicContact CD2-CE1 4.29Å; L333-I468 HydrophobicContact CD1-CD1 3.83Å |
| 334 | N | 84.8 | Confident | 79.7 | Confident | 17 Ų | 17 | 18.5 Ų | 18.5 | 9% | 0.091 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.6 | -44.2 | 178.1 | -71.8 | -17.4 | 0 | 0 | 0 | 111.9 | S330 L331 V332 S338 V398 W404 | S330-N334 WeakPolarHBondContact O-CB 3.11Å; S330-N334 VanDerWaalsContact O-CG 3.23Å; S330-N334 PolarHBondContact O-N 3.27Å; S330-N334 PolarHBondContact O-ND2 3.5Å; L331-N334 PolarHBondContact O-N 2.91Å; V332-N334 PolarHBondContact O-N 3.18Å; N334-S338 WeakPolarHBondContact O-CB 3.36Å; N334-S338 PolarHBondContact O-N 3.38Å; N334-S338 PolarHBondContact O-OG 3.33Å; N334-V398 HydrophobicContact CB-CG1 3.79Å; N334-W404 PolarHBondContact OD1-NE1 3.11Å |
| 335 | V | 84.4 | Confident | 79.6 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.8 | -46.8 | 176.9 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | I279 C282 L283 L331 V332 L333 S338 N339 V398 | I279-V335 HydrophobicContact CG2-CG1 3.98Å; C282-V335 HydrophobicContact CB-CG1 3.44Å; C282-V335 VanDerWaalsContact CB-CG1 3.44Å; C282-V335 HydrophobicContact CB-CG2 4.28Å; L283-V335 HydrophobicContact CD2-CB 4.3Å; L283-V335 HydrophobicContact CD2-CG2 3.87Å; L283-V335 HydrophobicContact CG-CB 4.47Å; L283-V335 HydrophobicContact CG-CG1 4.36Å; L283-V335 HydrophobicContact CG-CG2 4.28Å; L331-V335 HydrophobicContact CD1-CG2 4.09Å; L331-V335 HydrophobicContact CG-CG2 4.3Å; L331-V335 VanDerWaalsContact O-CG2 3.28Å; L331-V335 WeakPolarHBondContact O-CG2 3.36Å; L331-V335 PolarHBondContact O-N 3.19Å; V332-V335 PolarHBondContact O-N 2.93Å; L333-V335 PolarHBondContact O-N 3.42Å; V335-S338 PolarHBondContact O-N 3.01Å; V335-N339 PolarHBondContact O-N 3.41Å; V335-N339 PolarHBondContact O-ND2 3.2Å; V335-V398 HydrophobicContact CG2-CG1 4.22Å; V335-V398 HydrophobicContact CG2-CG2 3.72Å |
| 336 | C | 86.7 | Confident | 80 | Confident | 3 Ų | 3 | 27.1 Ų | 27.1 | 2% | 0.02 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.6 | -48.1 | 178.1 | -68.5 | 0 | 0 | 0 | 0 | 111.3 | L270 V332 L333 S338 N339 L340 | L270-C336 HydrophobicContact CD1-CB 4.13Å; L270-C336 HydrophobicContact CD2-CB 4.31Å; V332-C336 WeakPolarHBondContact O-CB 3.42Å; V332-C336 PolarHBondContact O-N 3.04Å; V332-C336 PolarHBondContact O-SG 2.62Å; L333-C336 PolarHBondContact O-N 2.87Å; C336-S338 PolarHBondContact O-N 3.13Å; C336-N339 PolarHBondContact O-N 2.98Å; C336-L340 VanDerWaalsContact O-CG 3.3Å; C336-L340 WeakPolarHBondContact O-CG 3Å; C336-L340 PolarHBondContact O-N 3.26Å |
| 337 | M | 88.7 | Confident | 80.1 | Confident | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.4 | -35.4 | -179.7 | -69.7 | -58.8 | -77.8 | 0 | 0 | 112.5 | L333 N339 L340 L341 W404 L408 I468 L471 | L333-M337 HydrophobicContact CD1-CG 4.06Å; L333-M337 HydrophobicContact CG-CG 4.15Å; L333-M337 VanDerWaalsContact O-CB 3.28Å; L333-M337 WeakPolarHBondContact O-CB 3.35Å; L333-M337 VanDerWaalsContact O-CG 3.24Å; L333-M337 WeakPolarHBondContact O-CG 3.5Å; L333-M337 PolarHBondContact O-N 3.38Å; M337-N339 VanDerWaalsContact C-N 3.31Å; M337-N339 PolarHBondContact O-N 3.11Å; M337-L340 PolarHBondContact O-N 3.47Å; M337-L340 HydrophobicContact SD-CD1 4.21Å; M337-L341 HydrophobicContact CB-CD1 4.47Å; M337-L341 HydrophobicContact CE-CD1 3.92Å; M337-L341 HydrophobicContact CE-CG 4.42Å; M337-L341 WeakPolarHBondContact O-CB 3.34Å; M337-L341 WeakPolarHBondContact O-CG 3.36Å; M337-L341 PolarHBondContact O-N 2.84Å; M337-W404 HydrophobicContact CB-CD2 4.02Å; M337-W404 HydrophobicContact CB-CE3 4.22Å; M337-W404 HydrophobicContact CB-CG 4.25Å; M337-W404 HydrophobicContact CE-CE3 3.66Å; M337-W404 HydrophobicContact CE-CH2 4.28Å; M337-W404 HydrophobicContact CE-CZ3 3.51Å; M337-W404 HydrophobicContact CG-CD2 4.38Å; M337-W404 HydrophobicContact CG-CE3 4.3Å; M337-W404 HydrophobicContact CG-CH2 4.47Å; M337-W404 HydrophobicContact CG-CZ2 4.48Å; M337-W404 HydrophobicContact CG-CZ3 4.38Å; M337-L408 HydrophobicContact CE-CD1 4.18Å; M337-L408 HydrophobicContact CE-CD2 3.92Å; M337-L408 HydrophobicContact CE-CG 4.48Å; M337-I468 HydrophobicContact SD-CG1 4.16Å; M337-L471 HydrophobicContact CE-CD2 3.7Å; M337-L471 HydrophobicContact SD-CD2 3.87Å |
| 338 | S | 84.7 | Confident | 79.7 | Confident | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.014 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60 | -42.7 | 174.2 | -61.8 | 0 | 0 | 0 | 0 | 111.7 | N334 V335 C336 A342 I399 | N334-S338 WeakPolarHBondContact O-CB 3.36Å; N334-S338 PolarHBondContact O-N 3.38Å; N334-S338 PolarHBondContact O-OG 3.33Å; V335-S338 PolarHBondContact O-N 3.01Å; C336-S338 PolarHBondContact O-N 3.13Å; S338-A342 PolarHBondContact O-N 3.39Å; S338-I399 WeakPolarHBondContact OG-CB 3.46Å; S338-I399 PolarHBondContact OG-N 3.38Å |
| 339 | N | 83.8 | Confident | 79.4 | Confident | 5 Ų | 5 | 34.1 Ų | 34.1 | 3% | 0.027 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -71 | -40.9 | 177.5 | -79 | -69.7 | 0 | 0 | 0 | 112.7 | L277 V335 C336 M337 A342 | L277-N339 HydrophobicContact CD1-CB 4.35Å; L277-N339 PolarHBondContact O-OD1 3.49Å; V335-N339 PolarHBondContact O-N 3.41Å; V335-N339 PolarHBondContact O-ND2 3.2Å; C336-N339 PolarHBondContact O-N 2.98Å; M337-N339 VanDerWaalsContact C-N 3.31Å; M337-N339 PolarHBondContact O-N 3.11Å; N339-A342 WeakPolarHBondContact O-CB 3.34Å |
| 340 | L | 85.5 | Confident | 79.2 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -69.9 | -39.5 | 179.2 | -68.1 | 175.1 | 0 | 0 | 0 | 112.7 | F269 L270 C336 M337 A342 R347 I468 L471 T475 | F269-L340 HydrophobicContact CE1-CD2 3.94Å; L270-L340 HydrophobicContact CD2-CD1 4.24Å; L270-L340 HydrophobicContact CD2-CD2 4.31Å; L270-L340 HydrophobicContact CD2-CG 4.37Å; C336-L340 VanDerWaalsContact O-CG 3.3Å; C336-L340 WeakPolarHBondContact O-CG 3Å; C336-L340 PolarHBondContact O-N 3.26Å; M337-L340 PolarHBondContact O-N 3.47Å; M337-L340 HydrophobicContact SD-CD1 4.21Å; L340-A342 VanDerWaalsContact C-N 3.29Å; L340-A342 PolarHBondContact O-N 3.49Å; L340-R347 PolarHBondContact O-NH2 3.21Å; L340-I468 HydrophobicContact CD1-CG2 4.4Å; L340-L471 HydrophobicContact CB-CD2 3.55Å; L340-L471 HydrophobicContact CB-CG 3.93Å; L340-L471 HydrophobicContact CD1-CD2 3.94Å; L340-L471 HydrophobicContact CD1-CG 4.34Å; L340-L471 HydrophobicContact CG-CD2 4.38Å; L340-T475 HydrophobicContact CD2-CG2 4.26Å |
| 341 | L | 85.2 | Confident | 78.3 | Confident | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | 2.4 | -179.6 | -65.8 | 170.5 | 0 | 0 | 0 | 113.8 | M337 T343 W404 R407 L408 L471 | M337-L341 HydrophobicContact CB-CD1 4.47Å; M337-L341 HydrophobicContact CE-CD1 3.92Å; M337-L341 HydrophobicContact CE-CG 4.42Å; M337-L341 WeakPolarHBondContact O-CB 3.34Å; M337-L341 WeakPolarHBondContact O-CG 3.36Å; M337-L341 PolarHBondContact O-N 2.84Å; L341-T343 PolarHBondContact O-N 2.84Å; L341-W404 HydrophobicContact CD1-CB 3.99Å; L341-W404 HydrophobicContact CD1-CE3 4.02Å; L341-W404 WeakPolarHBondContact CD1-O 3.35Å; L341-R407 HydrophobicContact CD1-CB 4.33Å; L341-L408 HydrophobicContact CD1-CB 4.02Å; L341-L408 HydrophobicContact CD2-CB 4.39Å; L341-L408 HydrophobicContact CD2-CD1 4.11Å; L341-L471 HydrophobicContact CD2-CD1 3.84Å; L341-L471 HydrophobicContact CD2-CD2 3.85Å; L341-L471 HydrophobicContact CG-CD2 3.97Å |
| 342 | A | 80.7 | Confident | 77.1 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -49.5 | 130.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S338 N339 L340 E346 R347 L396 | S338-A342 PolarHBondContact O-N 3.39Å; N339-A342 WeakPolarHBondContact O-CB 3.34Å; L340-A342 VanDerWaalsContact C-N 3.29Å; L340-A342 PolarHBondContact O-N 3.49Å; A342-E346 VanDerWaalsContact CA-OE2 3.28Å; A342-E346 WeakPolarHBondContact CA-OE2 3.45Å; A342-E346 HydrophobicContact CB-CB 4.1Å; A342-R347 HydrophobicContact CB-CG 3.74Å; A342-R347 PolarHBondContact O-NE 3.2Å; A342-R347 VanDerWaalsContact O-NE 3.14Å; A342-R347 PolarHBondContact O-NH1 3.49Å; A342-R347 PolarHBondContact O-NH2 2.89Å; A342-R347 VanDerWaalsContact O-NH2 3.15Å; A342-L396 HydrophobicContact CB-CD1 3.89Å | ||
| 343 | T | 76.2 | Confident | 75.7 | Confident | 48 Ų | 48 | 35 Ų | 35 | 29% | 0.294 | 19% | 0.189 | S | C | . | . | trans | -66.2 | 159.9 | 174.8 | 66.6 | 0 | 0 | 0 | 0 | 110.6 | L341 K345 E346 R347 | L341-T343 PolarHBondContact O-N 2.84Å; T343-K345 PolarHBondContact O-N 2.57Å; T343-K345 VanDerWaalsContact O-N 3.13Å; T343-E346 PolarHBondContact N-OE2 2.95Å; T343-E346 WeakPolarHBondContact O-CB 3.47Å; T343-E346 PolarHBondContact O-N 3.41Å; T343-E346 VanDerWaalsContact O-N 3.12Å; T343-E346 WeakPolarHBondContact OG1-CB 3.48Å; T343-E346 WeakPolarHBondContact OG1-CG 3.27Å; T343-E346 PolarHBondContact OG1-N 2.75Å; T343-E346 PolarHBondContact OG1-OE2 2.87Å; T343-R347 WeakPolarHBondContact O-CG 3.43Å; T343-R347 PolarHBondContact O-N 3.44Å | ||
| 344 | P | 69.9 | Low | 74 | Confident | 89 Ų | 89 | 37.6 Ų | 37.6 | 58% | 0.578 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -54.4 | -32.8 | 175.6 | -27.3 | 35.7 | 0 | 0 | 0 | 113.9 | N348 | P344-N348 WeakPolarHBondContact O-CB 3.48Å; P344-N348 PolarHBondContact O-N 2.9Å; P344-N348 PolarHBondContact O-ND2 3.43Å; P344-N348 PolarHBondContact O-OD1 2.8Å |
| 345 | K | 73.2 | Confident | 72.5 | Confident | 168 Ų | 168 | 41.8 Ų | 41.8 | 73% | 0.73 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -69 | -48.2 | 175.7 | -65.3 | -176 | 178.8 | -177.5 | 0 | 111.7 | T343 R347 N348 Q349 | T343-K345 PolarHBondContact O-N 2.57Å; T343-K345 VanDerWaalsContact O-N 3.13Å; K345-R347 VanDerWaalsContact C-N 3.32Å; K345-R347 PolarHBondContact O-N 3.41Å; K345-N348 WeakPolarHBondContact O-CB 3.31Å; K345-N348 PolarHBondContact O-N 2.89Å; K345-Q349 PolarHBondContact O-N 2.81Å; K345-Q349 VanDerWaalsContact O-N 3.14Å |
| 346 | E | 77 | Confident | 70.6 | Confident | 37 Ų | 37 | 47.1 Ų | 47.1 | 17% | 0.173 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.4 | -42.2 | 174.2 | -77.8 | 166.1 | -174.6 | 0 | 0 | 111 | A342 T343 N348 Q349 I350 L396 R407 | A342-E346 VanDerWaalsContact CA-OE2 3.28Å; A342-E346 WeakPolarHBondContact CA-OE2 3.45Å; A342-E346 HydrophobicContact CB-CB 4.1Å; T343-E346 PolarHBondContact N-OE2 2.95Å; T343-E346 WeakPolarHBondContact O-CB 3.47Å; T343-E346 PolarHBondContact O-N 3.41Å; T343-E346 VanDerWaalsContact O-N 3.12Å; T343-E346 WeakPolarHBondContact OG1-CB 3.48Å; T343-E346 WeakPolarHBondContact OG1-CG 3.27Å; T343-E346 PolarHBondContact OG1-N 2.75Å; T343-E346 PolarHBondContact OG1-OE2 2.87Å; E346-N348 PolarHBondContact O-N 3.41Å; E346-Q349 WeakPolarHBondContact O-CB 3.27Å; E346-Q349 PolarHBondContact O-N 3.28Å; E346-I350 PolarHBondContact O-N 2.76Å; E346-L396 HydrophobicContact CB-CD2 3.53Å; E346-L396 HydrophobicContact CG-CD2 3.75Å; E346-R407 IonicContact OE1-CZ 3.49Å; E346-R407 IonicContact OE1-NH1 2.96Å; E346-R407 PolarHBondContact OE1-NH1 2.86Å; E346-R407 IonicContact OE1-NH2 3.02Å; E346-R407 PolarHBondContact OE1-NH2 2.78Å; E346-R407 IonicContact OE2-NH1 2.78Å; E346-R407 PolarHBondContact OE2-NH1 3.34Å |
| 347 | R | 72.2 | Confident | 68.4 | Low | 18 Ų | 18 | 49.9 Ų | 49.9 | 7% | 0.068 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65 | -37.6 | 174.9 | -68.3 | -174.5 | -168.2 | 128 | -4.9 | 113.1 | L340 A342 T343 K345 Q349 I350 V351 F479 | L340-R347 PolarHBondContact O-NH2 3.21Å; A342-R347 HydrophobicContact CB-CG 3.74Å; A342-R347 PolarHBondContact O-NE 3.2Å; A342-R347 VanDerWaalsContact O-NE 3.14Å; A342-R347 PolarHBondContact O-NH1 3.49Å; A342-R347 PolarHBondContact O-NH2 2.89Å; A342-R347 VanDerWaalsContact O-NH2 3.15Å; T343-R347 WeakPolarHBondContact O-CG 3.43Å; T343-R347 PolarHBondContact O-N 3.44Å; K345-R347 VanDerWaalsContact C-N 3.32Å; K345-R347 PolarHBondContact O-N 3.41Å; R347-Q349 PolarHBondContact O-N 2.9Å; R347-I350 WeakPolarHBondContact O-CB 3.05Å; R347-I350 PolarHBondContact O-N 3.27Å; R347-V351 WeakPolarHBondContact O-CG2 3.41Å; R347-V351 PolarHBondContact O-N 3.31Å; R347-F479 HydrophobicContact CB-CD2 4.42Å; R347-F479 HydrophobicContact CB-CE2 4.05Å; R347-F479 HydrophobicContact CB-CZ 4.22Å |
| 348 | N | 68.2 | Low | 66 | Low | 101 Ų | 101 | 56.5 Ų | 56.5 | 54% | 0.54 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.9 | -30.6 | 175.6 | -72.4 | -18.6 | 0 | 0 | 0 | 111.8 | P344 K345 E346 V351 A352 | P344-N348 WeakPolarHBondContact O-CB 3.48Å; P344-N348 PolarHBondContact O-N 2.9Å; P344-N348 PolarHBondContact O-ND2 3.43Å; P344-N348 PolarHBondContact O-OD1 2.8Å; K345-N348 WeakPolarHBondContact O-CB 3.31Å; K345-N348 PolarHBondContact O-N 2.89Å; E346-N348 PolarHBondContact O-N 3.41Å; N348-V351 PolarHBondContact O-N 2.84Å; N348-A352 WeakPolarHBondContact O-CB 3.39Å; N348-A352 PolarHBondContact O-N 2.66Å |
| 349 | Q | 67 | Low | 63.5 | Low | 115 Ų | 115 | 60.4 Ų | 60.4 | 54% | 0.537 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.4 | -44.4 | 171.6 | -65.9 | 171 | -16.1 | 0 | 0 | 111 | K345 E346 R347 V351 A352 V353 | K345-Q349 PolarHBondContact O-N 2.81Å; K345-Q349 VanDerWaalsContact O-N 3.14Å; E346-Q349 WeakPolarHBondContact O-CB 3.27Å; E346-Q349 PolarHBondContact O-N 3.28Å; R347-Q349 PolarHBondContact O-N 2.9Å; Q349-V351 VanDerWaalsContact C-N 3.3Å; Q349-V351 PolarHBondContact O-N 3.32Å; Q349-A352 PolarHBondContact O-N 3.35Å; Q349-V353 WeakPolarHBondContact O-CB 3.36Å; Q349-V353 WeakPolarHBondContact O-CG2 3.39Å; Q349-V353 PolarHBondContact O-N 2.93Å |
| 350 | I | 63.9 | Low | 61.1 | Low | 16 Ų | 16 | 66.8 Ų | 66.8 | 8% | 0.082 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -56.9 | -44.8 | 173.5 | -51.7 | 171.8 | 0 | 0 | 0 | 110.8 | E346 R347 V353 L354 L396 | E346-I350 PolarHBondContact O-N 2.76Å; R347-I350 WeakPolarHBondContact O-CB 3.05Å; R347-I350 PolarHBondContact O-N 3.27Å; I350-V353 PolarHBondContact O-N 2.98Å; I350-L354 HydrophobicContact CG2-CD1 4.08Å; I350-L354 WeakPolarHBondContact O-CG 3.36Å; I350-L354 PolarHBondContact O-N 2.84Å; I350-L396 HydrophobicContact CD1-CD1 3.41Å; I350-L396 VanDerWaalsContact CD1-CD1 3.41Å; I350-L396 HydrophobicContact CD1-CG 4.35Å; I350-L396 HydrophobicContact CG1-CD1 3.77Å; I350-L396 HydrophobicContact CG1-CG 4.19Å |
| 351 | V | 61.8 | Low | 58.5 | Low | 41 Ų | 41 | 74.4 Ų | 74.4 | 25% | 0.248 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -66.5 | -44.3 | 179.6 | 176.8 | 0 | 0 | 0 | 0 | 111.8 | R347 N348 Q349 V353 L354 N355 F479 N481 | R347-V351 WeakPolarHBondContact O-CG2 3.41Å; R347-V351 PolarHBondContact O-N 3.31Å; N348-V351 PolarHBondContact O-N 2.84Å; Q349-V351 VanDerWaalsContact C-N 3.3Å; Q349-V351 PolarHBondContact O-N 3.32Å; V351-V353 VanDerWaalsContact C-N 3.26Å; V351-V353 PolarHBondContact O-N 3.18Å; V351-L354 PolarHBondContact O-N 3.31Å; V351-N355 WeakPolarHBondContact O-CB 3.34Å; V351-N355 PolarHBondContact O-N 3.15Å; V351-F479 HydrophobicContact CG2-CE2 3.71Å; V351-F479 HydrophobicContact CG2-CZ 3.68Å; V351-N481 HydrophobicContact CG2-CB 4.25Å |
| 352 | A | 56.3 | Low | 55.9 | Low | 51 Ų | 51 | 81.6 Ų | 81.6 | 42% | 0.421 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -60.1 | -40.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.2 | N348 Q349 N355 N356 | N348-A352 WeakPolarHBondContact O-CB 3.39Å; N348-A352 PolarHBondContact O-N 2.66Å; Q349-A352 PolarHBondContact O-N 3.35Å; A352-N355 PolarHBondContact O-N 3.4Å; A352-N356 WeakPolarHBondContact O-CB 3.5Å; A352-N356 PolarHBondContact O-N 2.9Å |
| 353 | V | 53.5 | Low | 53.4 | Low | 18 Ų | 18 | 84.7 Ų | 84.7 | 11% | 0.109 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -63.7 | -48.6 | 174.8 | 168.1 | 0 | 0 | 0 | 0 | 111.8 | Q349 I350 V351 N355 N356 N357 N392 T393 S394 | Q349-V353 WeakPolarHBondContact O-CB 3.36Å; Q349-V353 WeakPolarHBondContact O-CG2 3.39Å; Q349-V353 PolarHBondContact O-N 2.93Å; I350-V353 PolarHBondContact O-N 2.98Å; V351-V353 VanDerWaalsContact C-N 3.26Å; V351-V353 PolarHBondContact O-N 3.18Å; V353-N355 VanDerWaalsContact C-N 3.26Å; V353-N355 PolarHBondContact O-N 2.9Å; V353-N356 PolarHBondContact O-N 2.96Å; V353-N357 PolarHBondContact O-N 2.85Å; V353-N392 WeakPolarHBondContact CG1-O 3.3Å; V353-T393 HydrophobicContact CG1-CG2 4.3Å; V353-S394 WeakPolarHBondContact CG2-OG 3.13Å |
| 354 | L | 51 | Low | 51.1 | Low | 56 Ų | 56 | 89.7 Ų | 89.7 | 29% | 0.293 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.1 | -34.4 | 176.8 | -74.4 | 170.8 | 0 | 0 | 0 | 112.2 | I350 V351 | I350-L354 HydrophobicContact CG2-CD1 4.08Å; I350-L354 WeakPolarHBondContact O-CG 3.36Å; I350-L354 PolarHBondContact O-N 2.84Å; V351-L354 PolarHBondContact O-N 3.31Å |
| 355 | N | 51.9 | Low | 48.9 | Very low | 105 Ų | 105 | 92.8 Ų | 92.8 | 56% | 0.561 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -78.6 | -35.4 | -179.7 | -157.2 | 40.9 | 0 | 0 | 0 | 112.5 | V351 A352 V353 N357 N358 | V351-N355 WeakPolarHBondContact O-CB 3.34Å; V351-N355 PolarHBondContact O-N 3.15Å; A352-N355 PolarHBondContact O-N 3.4Å; V353-N355 VanDerWaalsContact C-N 3.26Å; V353-N355 PolarHBondContact O-N 2.9Å; N355-N357 PolarHBondContact O-N 3.39Å; N355-N358 PolarHBondContact O-N 3.11Å |
| 356 | N | 44.3 | Very low | 46.7 | Very low | 111 Ų | 111 | 90.8 Ų | 90.8 | 59% | 0.594 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.6 | -23.8 | 176.4 | -90.9 | 4.5 | 0 | 0 | 0 | 113 | A352 V353 N358 S359 | A352-N356 WeakPolarHBondContact O-CB 3.5Å; A352-N356 PolarHBondContact O-N 2.9Å; V353-N356 PolarHBondContact O-N 2.96Å; N356-N358 PolarHBondContact O-N 2.72Å; N356-N358 VanDerWaalsContact O-N 3.15Å; N356-S359 PolarHBondContact O-N 3.34Å |
| 357 | N | 41.8 | Very low | 44.1 | Very low | 62 Ų | 62 | 94.5 Ų | 94.5 | 33% | 0.332 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -13.6 | 172.3 | -77 | -20.1 | 0 | 0 | 0 | 113.8 | V353 N355 | V353-N357 PolarHBondContact O-N 2.85Å; N355-N357 PolarHBondContact O-N 3.39Å |
| 358 | N | 38.3 | Very low | 41.7 | Very low | 139 Ų | 139 | 98.7 Ų | 98.7 | 74% | 0.743 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | -13.9 | 175.9 | -101.9 | 4 | 0 | 0 | 0 | 114.8 | N355 N356 | N355-N358 PolarHBondContact O-N 3.11Å; N356-N358 PolarHBondContact O-N 2.72Å; N356-N358 VanDerWaalsContact O-N 3.15Å |
| 359 | S | 32.9 | Very low | 39.4 | Very low | 85 Ų | 85 | 100.8 Ų | 100.8 | 59% | 0.594 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | -2.8 | -175.7 | -84.1 | 0 | 0 | 0 | 0 | 115.3 | N356 N361 | N356-S359 PolarHBondContact O-N 3.34Å; S359-N361 PolarHBondContact O-N 3.4Å |
| 360 | N | 32.9 | Very low | 37.2 | Very low | 139 Ų | 139 | 101.9 Ų | 101.9 | 74% | 0.743 | 59% | 0.591 | S | S | * | * | trans | -81.7 | 48.1 | 174.4 | -87.9 | 6.6 | 0 | 0 | 0 | 113.1 | ||||
| 361 | N | 30.7 | Very low | 35.3 | Very low | 160 Ų | 160 | 108.6 Ų | 108.6 | 86% | 0.856 | 63% | 0.627 | S | S | * | * | trans | -105.6 | 26.2 | 168.7 | -96.5 | -2.6 | 0 | 0 | 0 | 112.3 | S359 | S359-N361 PolarHBondContact O-N 3.4Š| ||
| 362 | N | 30 | Very low | 33.5 | Very low | 154 Ų | 154 | 113.5 Ų | 113.5 | 82% | 0.824 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -104.6 | 104.1 | 174.1 | -135.9 | 14.1 | 0 | 0 | 0 | 111.3 | N364 | N362-N364 PolarHBondContact O-N 3.07Š|
| 363 | G | 28.8 | Very low | 32 | Very low | 65 Ų | 65 | 114.3 Ų | 114.3 | 67% | 0.67 | 66% | 0.663 | S | S | * | * | S | Bend | trans | 76.8 | -24.7 | 140 | 0 | 0 | 0 | 0 | 0 | 121 | N365 | G363-N365 PolarHBondContact O-N 3.01Å; G363-N365 VanDerWaalsContact O-N 3.12Å |
| 364 | N | 27.4 | Very low | 30.6 | Very low | 153 Ų | 153 | 117.4 Ų | 117.4 | 82% | 0.818 | 69% | 0.691 | S | S | * | * | trans | -88.8 | 94.9 | -175.5 | -73.4 | -9.1 | 0 | 0 | 0 | 111.4 | N362 V366 | N362-N364 PolarHBondContact O-N 3.07Å; N364-V366 PolarHBondContact O-N 3.39Å | ||
| 365 | N | 23.5 | Very low | 29.3 | Very low | 155 Ų | 155 | 121.9 Ų | 121.9 | 83% | 0.829 | 72% | 0.715 | S | S | * | * | trans | -49.1 | 75.7 | 165.7 | -80.8 | -33.5 | 0 | 0 | 0 | 112.3 | G363 | G363-N365 PolarHBondContact O-N 3.01Å; G363-N365 VanDerWaalsContact O-N 3.12Å | ||
| 366 | V | 26.4 | Very low | 28.3 | Very low | 125 Ų | 125 | 122.7 Ų | 122.7 | 76% | 0.758 | 73% | 0.729 | S | S | * | * | trans | -98.5 | 86.8 | 153.3 | -177.2 | 0 | 0 | 0 | 0 | 105.2 | N364 C368 | N364-V366 PolarHBondContact O-N 3.39Å; V366-C368 VanDerWaalsContact C-N 3.35Å; V366-C368 PolarHBondContact O-N 3.48Å | ||
| 367 | T | 22.6 | Very low | 27.5 | Very low | 115 Ų | 115 | 120.6 Ų | 120.6 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | trans | -52 | 98 | 168.4 | 41.9 | 0 | 0 | 0 | 0 | 109.1 | N369 | T367-N369 VanDerWaalsContact C-N 3.34Å; T367-N369 PolarHBondContact O-N 2.9Å; T367-N369 VanDerWaalsContact O-N 3.13Å | ||
| 368 | C | 22.1 | Very low | 26.8 | Very low | 107 Ų | 107 | 123.7 Ų | 123.7 | 72% | 0.723 | 75% | 0.754 | S | S | * | * | trans | -76.1 | 92.9 | 163.6 | 42.7 | 0 | 0 | 0 | 0 | 107.1 | V366 L370 | V366-C368 VanDerWaalsContact C-N 3.35Å; V366-C368 PolarHBondContact O-N 3.48Å; C368-L370 VanDerWaalsContact C-N 3.35Å; C368-L370 PolarHBondContact O-N 3.29Å | ||
| 369 | N | 20 | Very low | 26.1 | Very low | 144 Ų | 144 | 124.6 Ų | 124.6 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | trans | -57.5 | 95.5 | 169.1 | -97.7 | 10.2 | 0 | 0 | 0 | 109.5 | T367 | T367-N369 VanDerWaalsContact C-N 3.34Å; T367-N369 PolarHBondContact O-N 2.9Å; T367-N369 VanDerWaalsContact O-N 3.13Å | ||
| 370 | L | 21.6 | Very low | 25.7 | Very low | 139 Ų | 139 | 126 Ų | 126 | 73% | 0.728 | 77% | 0.768 | S | S | * | * | trans | -111.8 | 90.9 | 164.2 | -81.5 | 162.2 | 0 | 0 | 0 | 107.4 | C368 I372 | C368-L370 VanDerWaalsContact C-N 3.35Å; C368-L370 PolarHBondContact O-N 3.29Å; L370-I372 VanDerWaalsContact C-N 3.28Å; L370-I372 PolarHBondContact O-N 3.25Å | ||
| 371 | N | 23 | Very low | 25.4 | Very low | 157 Ų | 157 | 125 Ų | 125 | 84% | 0.84 | 76% | 0.761 | S | S | * | * | trans | -66.1 | 91.7 | 161.4 | -76.1 | -10.2 | 0 | 0 | 0 | 107.6 | G373 | N371-G373 PolarHBondContact O-N 2.89Š| ||
| 372 | I | 24.5 | Very low | 25.2 | Very low | 143 Ų | 143 | 122.4 Ų | 122.4 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | trans | -79.2 | 107.2 | 166.2 | -66.4 | 170.4 | 0 | 0 | 0 | 106.3 | L370 A374 | L370-I372 VanDerWaalsContact C-N 3.28Å; L370-I372 PolarHBondContact O-N 3.25Å; I372-A374 PolarHBondContact O-N 2.87Å | ||
| 373 | G | 23.9 | Very low | 25.2 | Very low | 68 Ų | 68 | 118.7 Ų | 118.7 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | trans | -59.9 | 118.8 | 155.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | N371 D375 | N371-G373 PolarHBondContact O-N 2.89Å; G373-D375 PolarHBondContact O-N 2.98Å | ||
| 374 | A | 24 | Very low | 25.3 | Very low | 84 Ų | 84 | 119.8 Ų | 119.8 | 69% | 0.694 | 74% | 0.736 | S | S | * | * | trans | -54.3 | 122.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | I372 | I372-A374 PolarHBondContact O-N 2.87Š| ||
| 375 | D | 25.5 | Very low | 25.4 | Very low | 150 Ų | 150 | 122.4 Ų | 122.4 | 80% | 0.802 | 73% | 0.734 | S | S | * | * | trans | -179.2 | 130.7 | 137.9 | -84.5 | -21.2 | 0 | 0 | 0 | 108.7 | G373 | G373-D375 PolarHBondContact O-N 2.98Š| ||
| 376 | S | 29.4 | Very low | 26 | Very low | 122 Ų | 122 | 122.2 Ų | 122.2 | 85% | 0.853 | 72% | 0.722 | S | S | * | * | trans | 73.4 | 100 | 172.1 | 67.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 377 | G | 27.2 | Very low | 26.4 | Very low | 66 Ų | 66 | 119.7 Ų | 119.7 | 68% | 0.68 | 71% | 0.709 | S | S | * | * | 68.2 | 103.5 | 123.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 378 | T | 27.4 | Very low | 26.7 | Very low | 127 Ų | 127 | 123.7 Ų | 123.7 | 78% | 0.779 | 71% | 0.712 | S | S | * | * | trans | 60.9 | 95.2 | 138.3 | 54.8 | 0 | 0 | 0 | 0 | 119.6 | C380 | T378-C380 PolarHBondContact O-N 2.57Š| ||
| 379 | D | 23.7 | Very low | 27.3 | Very low | 158 Ų | 158 | 122.5 Ų | 122.5 | 85% | 0.845 | 70% | 0.698 | S | S | * | * | 46 | 66.7 | 124.5 | -57.2 | -18.9 | 0 | 0 | 0 | 119.5 | |||||
| 380 | C | 26.1 | Very low | 28.2 | Very low | 114 Ų | 114 | 120.6 Ų | 120.6 | 77% | 0.77 | 69% | 0.687 | S | S | * | * | trans | -130 | 49.2 | 155.5 | 66.7 | 0 | 0 | 0 | 0 | 111.5 | T378 | T378-C380 PolarHBondContact O-N 2.57Š| ||
| 381 | I | 24.8 | Very low | 29 | Very low | 119 Ų | 119 | 118.9 Ų | 118.9 | 61% | 0.61 | 69% | 0.687 | S | S | * | * | trans | -92.3 | -3.2 | -176 | -62.9 | 176.7 | 0 | 0 | 0 | 113.2 | ||||
| 382 | S | 28.3 | Very low | 29.6 | Very low | 106 Ų | 106 | 115.2 Ų | 115.2 | 74% | 0.741 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -26.9 | -176 | -66.5 | 0 | 0 | 0 | 0 | 115.3 | ||
| 383 | S | 29.4 | Very low | 30.4 | Very low | 76 Ų | 76 | 110 Ų | 110 | 53% | 0.531 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87 | -27.6 | -175.5 | -57.9 | 0 | 0 | 0 | 0 | 114 | ||
| 384 | T | 30.6 | Very low | 31.5 | Very low | 88 Ų | 88 | 110.7 Ų | 110.7 | 54% | 0.54 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.5 | -16.9 | -179.2 | -53.9 | 0 | 0 | 0 | 0 | 113 | R386 | T384-R386 PolarHBondContact O-N 2.71Š|
| 385 | R | 30.6 | Very low | 33.2 | Very low | 207 Ų | 207 | 108.7 Ų | 108.7 | 78% | 0.781 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -16.6 | -176 | -131.6 | -176.8 | -149.2 | -131 | 5.1 | 114.4 | ||
| 386 | R | 34.6 | Very low | 35.1 | Very low | 152 Ų | 152 | 102.1 Ų | 102.1 | 57% | 0.574 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -25 | -177 | -74.3 | -171.7 | -179.7 | -160.8 | 0.6 | 115 | T384 R388 | T384-R386 PolarHBondContact O-N 2.71Å; R386-R388 VanDerWaalsContact C-N 3.3Å; R386-R388 PolarHBondContact O-N 3.15Å |
| 387 | S | 34.8 | Very low | 37 | Very low | 71 Ų | 71 | 101.1 Ų | 101.1 | 50% | 0.497 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.4 | -8.4 | -173.2 | 178.7 | 0 | 0 | 0 | 0 | 114.8 | ||
| 388 | R | 30.1 | Very low | 39.3 | Very low | 200 Ų | 200 | 99.4 Ų | 99.4 | 76% | 0.755 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | -2.2 | -175.5 | -75.4 | -171.2 | -108.7 | 134.9 | -6.4 | 116.7 | R386 L390 | R386-R388 VanDerWaalsContact C-N 3.3Å; R386-R388 PolarHBondContact O-N 3.15Å; R388-L390 VanDerWaalsContact C-N 3.3Å; R388-L390 PolarHBondContact O-N 3.44Å |
| 389 | N | 33 | Very low | 41.8 | Very low | 81 Ų | 81 | 94.3 Ų | 94.3 | 43% | 0.433 | 52% | 0.515 | S | S | . | . | trans | -94.8 | 54.5 | 173 | -88.9 | -17 | 0 | 0 | 0 | 111.3 | S391 N392 | N389-S391 PolarHBondContact O-N 3Å; N389-S391 VanDerWaalsContact O-N 3.15Å; N389-N392 PolarHBondContact O-N 3.23Å | ||
| 390 | L | 39.3 | Very low | 44.5 | Very low | 104 Ų | 104 | 91.8 Ų | 91.8 | 55% | 0.545 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -17.2 | -178.3 | -163.9 | 64.1 | 0 | 0 | 0 | 113.1 | R388 | R388-L390 VanDerWaalsContact C-N 3.3Å; R388-L390 PolarHBondContact O-N 3.44Å |
| 391 | S | 38 | Very low | 47.1 | Very low | 103 Ų | 103 | 87.3 Ų | 87.3 | 72% | 0.72 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -14.7 | -177.1 | 58 | 0 | 0 | 0 | 0 | 114.9 | N389 | N389-S391 PolarHBondContact O-N 3Å; N389-S391 VanDerWaalsContact O-N 3.15Å |
| 392 | N | 36.4 | Very low | 49.8 | Very low | 80 Ų | 80 | 85.6 Ų | 85.6 | 43% | 0.428 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | -7.2 | -168.9 | -65.9 | 11.4 | 0 | 0 | 0 | 114.2 | V353 N389 S394 | V353-N392 WeakPolarHBondContact CG1-O 3.3Å; N389-N392 PolarHBondContact O-N 3.23Å; N392-S394 PolarHBondContact O-N 3.28Å; N392-S394 VanDerWaalsContact O-N 3.13Å |
| 393 | T | 42.4 | Very low | 52.4 | Low | 34 Ų | 34 | 82.6 Ų | 82.6 | 21% | 0.209 | 44% | 0.438 | C | S | . | . | trans | -79.3 | 93.1 | 170.1 | 55.7 | 0 | 0 | 0 | 0 | 108.4 | V353 T395 | V353-T393 HydrophobicContact CG1-CG2 4.3Å; T393-T395 PolarHBondContact O-N 3.38Å | ||
| 394 | S | 46.5 | Very low | 55.2 | Low | 83 Ų | 83 | 79 Ų | 79 | 58% | 0.58 | 41% | 0.412 | S | S | * | . | trans | -62.7 | 94.6 | 167.5 | 9.8 | 0 | 0 | 0 | 0 | 108 | V353 N392 | V353-S394 WeakPolarHBondContact CG2-OG 3.13Å; N392-S394 PolarHBondContact O-N 3.28Å; N392-S394 VanDerWaalsContact O-N 3.13Å | ||
| 395 | T | 59.4 | Low | 57.9 | Low | 42 Ų | 42 | 75.1 Ų | 75.1 | 26% | 0.258 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 140.1 | 172.5 | 49.9 | 0 | 0 | 0 | 0 | 109 | D281 C282 I285 T393 | D281-T395 HydrophobicContact CB-CG2 4.11Å; C282-T395 WeakPolarHBondContact SG-CB 3.5Å; I285-T395 HydrophobicContact CD1-CG2 3.75Å; T393-T395 PolarHBondContact O-N 3.38Å |
| 396 | L | 65 | Low | 60.5 | Low | 12 Ų | 12 | 72.4 Ų | 72.4 | 6% | 0.063 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 136.6 | 172.2 | -81 | 160.9 | 0 | 0 | 0 | 109.7 | A342 E346 I350 V398 | A342-L396 HydrophobicContact CB-CD1 3.89Å; E346-L396 HydrophobicContact CB-CD2 3.53Å; E346-L396 HydrophobicContact CG-CD2 3.75Å; I350-L396 HydrophobicContact CD1-CD1 3.41Å; I350-L396 VanDerWaalsContact CD1-CD1 3.41Å; I350-L396 HydrophobicContact CD1-CG 4.35Å; I350-L396 HydrophobicContact CG1-CD1 3.77Å; I350-L396 HydrophobicContact CG1-CG 4.19Å; L396-V398 PolarHBondContact O-N 2.89Å |
| 397 | P | 68.9 | Low | 63.1 | Low | 100 Ų | 100 | 69 Ų | 69 | 65% | 0.649 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 133.9 | 172.1 | 25.9 | -32.6 | 0 | 0 | 0 | 109.1 | I399 | P397-I399 PolarHBondContact O-N 2.87Š|
| 398 | V | 75.7 | Confident | 65.8 | Low | 31 Ų | 31 | 65.7 Ų | 65.7 | 19% | 0.188 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 128.6 | 174.9 | -175.7 | 0 | 0 | 0 | 0 | 108.3 | Y286 L331 N334 V335 L396 | Y286-V398 HydrophobicContact CD2-CB 3.97Å; Y286-V398 HydrophobicContact CD2-CG2 3.71Å; Y286-V398 HydrophobicContact CE2-CB 4.03Å; Y286-V398 HydrophobicContact CE2-CG1 4.48Å; Y286-V398 HydrophobicContact CE2-CG2 4.29Å; Y286-V398 HydrophobicContact CG-CG2 4.34Å; L331-V398 HydrophobicContact CD1-CG1 4.3Å; N334-V398 HydrophobicContact CB-CG1 3.79Å; V335-V398 HydrophobicContact CG2-CG1 4.22Å; V335-V398 HydrophobicContact CG2-CG2 3.72Å; L396-V398 PolarHBondContact O-N 2.89Å |
| 399 | I | 80.7 | Confident | 68.6 | Low | 19 Ų | 19 | 57.3 Ų | 57.3 | 10% | 0.097 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -89 | 132.8 | -178.4 | -56.4 | 174.2 | 0 | 0 | 0 | 108.7 | S338 P397 V403 W404 R407 | S338-I399 WeakPolarHBondContact OG-CB 3.46Å; S338-I399 PolarHBondContact OG-N 3.38Å; P397-I399 PolarHBondContact O-N 2.87Å; I399-V403 HydrophobicContact CG2-CB 3.42Å; I399-V403 VanDerWaalsContact CG2-CB 3.42Å; I399-V403 HydrophobicContact CG2-CG1 3.41Å; I399-V403 VanDerWaalsContact CG2-CG1 3.41Å; I399-W404 HydrophobicContact CB-CB 4.25Å; I399-W404 HydrophobicContact CG2-CB 3.83Å; I399-R407 VanDerWaalsContact CD1-NH1 3.25Å |
| 400 | D | 79.3 | Confident | 71.2 | Confident | 106 Ų | 106 | 56.8 Ų | 56.8 | 57% | 0.567 | 32% | 0.317 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 153.1 | 174.2 | -63 | -23.2 | 0 | 0 | 0 | 112.1 | D402 V403 W404 | D400-D402 PolarHBondContact O-N 3.35Å; D400-V403 HydrophobicContact CB-CG2 4.33Å; D400-V403 PolarHBondContact O-N 3.35Å; D400-W404 PolarHBondContact O-N 3.26Å |
| 401 | Y | 81.4 | Confident | 73.6 | Confident | 19 Ų | 19 | 54.5 Ų | 54.5 | 8% | 0.075 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -50.5 | -52.5 | -175.5 | 176.5 | -92.4 | 0 | 0 | 0 | 113.3 | P327 Q328 V403 W404 E405 H457 | P327-Y401 HydrophobicContact CB-CE2 4.39Å; P327-Y401 WeakPolarHBondContact O-CD2 3.46Å; Q328-Y401 VanDerWaalsContact CA-CD2 3.41Å; Q328-Y401 HydrophobicContact CB-CD1 4.09Å; Q328-Y401 HydrophobicContact CB-CD2 4.02Å; Q328-Y401 HydrophobicContact CB-CE1 4.47Å; Q328-Y401 HydrophobicContact CB-CE2 4.35Å; Q328-Y401 HydrophobicContact CB-CG 3.87Å; Q328-Y401 HydrophobicContact CG-CD1 3.84Å; Q328-Y401 HydrophobicContact CG-CD2 4.05Å; Q328-Y401 HydrophobicContact CG-CE1 3.73Å; Q328-Y401 HydrophobicContact CG-CE2 3.89Å; Q328-Y401 HydrophobicContact CG-CG 4.02Å; Y401-V403 PolarHBondContact O-N 3.37Å; Y401-W404 VanDerWaalsContact CA-CD1 3.47Å; Y401-W404 AromaticContact CD2-CE2 3.64Å; Y401-W404 HydrophobicContact CD2-CH2 4.31Å; Y401-W404 AromaticContact CD2-CZ2 3.37Å; Y401-W404 HydrophobicContact CD2-CZ2 3.37Å; Y401-W404 AromaticContact CD2-NE1 3.7Å; Y401-W404 AromaticContact CE2-CH2 3.94Å; Y401-W404 HydrophobicContact CE2-CH2 3.94Å; Y401-W404 AromaticContact CE2-CZ2 3.42Å; Y401-W404 HydrophobicContact CE2-CZ2 3.42Å; Y401-W404 VanDerWaalsContact CE2-CZ2 3.42Å; Y401-W404 PolarHBondContact O-N 3.35Å; Y401-E405 HydrophobicContact CE1-CB 4.39Å; Y401-E405 VanDerWaalsContact CE1-OE2 3.31Å; Y401-E405 WeakPolarHBondContact CE1-OE2 3.34Å; Y401-E405 VanDerWaalsContact O-CB 3.25Å; Y401-E405 WeakPolarHBondContact O-CB 3.36Å; Y401-E405 PolarHBondContact O-N 3.21Å; Y401-E405 PolarHBondContact OH-OE1 3.29Å; Y401-H457 AromaticContact CZ-ND1 3.8Å; Y401-H457 PolarHBondContact OH-N 3.28Å; Y401-H457 PolarHBondContact OH-ND1 3.27Å |
| 402 | D | 81 | Confident | 76 | Confident | 84 Ų | 84 | 49.6 Ų | 49.6 | 45% | 0.449 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.8 | -30.3 | -178.7 | -74 | -54.6 | 0 | 0 | 0 | 113.3 | D400 R406 R455 | D400-D402 PolarHBondContact O-N 3.35Å; D402-R406 WeakPolarHBondContact O-CG 3.46Å; D402-R406 PolarHBondContact O-N 2.72Å; D402-R406 PolarHBondContact O-NE 3.47Å; D402-R455 IonicContact OD1-NH1 2.7Å; D402-R455 PolarHBondContact OD1-NH1 3.49Å |
| 403 | V | 83.7 | Confident | 78.5 | Confident | 42 Ų | 42 | 48.1 Ų | 48.1 | 26% | 0.255 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -78.3 | -46.1 | -179.3 | -179.3 | 0 | 0 | 0 | 0 | 109.9 | I399 D400 Y401 R406 R407 | I399-V403 HydrophobicContact CG2-CB 3.42Å; I399-V403 VanDerWaalsContact CG2-CB 3.42Å; I399-V403 HydrophobicContact CG2-CG1 3.41Å; I399-V403 VanDerWaalsContact CG2-CG1 3.41Å; D400-V403 HydrophobicContact CB-CG2 4.33Å; D400-V403 PolarHBondContact O-N 3.35Å; Y401-V403 PolarHBondContact O-N 3.37Å; V403-R406 VanDerWaalsContact CG2-NH2 3.3Å; V403-R406 PolarHBondContact O-N 3.02Å; V403-R407 WeakPolarHBondContact O-CG 3.39Å; V403-R407 PolarHBondContact O-N 2.96Å |
| 404 | W | 88.9 | Confident | 80.7 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -71.2 | -33.6 | 179.1 | 79.5 | -113.8 | 0 | 0 | 0 | 111.6 | L333 N334 M337 L341 I399 D400 Y401 R406 R407 L408 F456 | L333-W404 HydrophobicContact CD2-CZ2 4.34Å; N334-W404 PolarHBondContact OD1-NE1 3.11Å; M337-W404 HydrophobicContact CB-CD2 4.02Å; M337-W404 HydrophobicContact CB-CE3 4.22Å; M337-W404 HydrophobicContact CB-CG 4.25Å; M337-W404 HydrophobicContact CE-CE3 3.66Å; M337-W404 HydrophobicContact CE-CH2 4.28Å; M337-W404 HydrophobicContact CE-CZ3 3.51Å; M337-W404 HydrophobicContact CG-CD2 4.38Å; M337-W404 HydrophobicContact CG-CE3 4.3Å; M337-W404 HydrophobicContact CG-CH2 4.47Å; M337-W404 HydrophobicContact CG-CZ2 4.48Å; M337-W404 HydrophobicContact CG-CZ3 4.38Å; L341-W404 HydrophobicContact CD1-CB 3.99Å; L341-W404 HydrophobicContact CD1-CE3 4.02Å; L341-W404 WeakPolarHBondContact CD1-O 3.35Å; I399-W404 HydrophobicContact CB-CB 4.25Å; I399-W404 HydrophobicContact CG2-CB 3.83Å; D400-W404 PolarHBondContact O-N 3.26Å; Y401-W404 VanDerWaalsContact CA-CD1 3.47Å; Y401-W404 AromaticContact CD2-CE2 3.64Å; Y401-W404 HydrophobicContact CD2-CH2 4.31Å; Y401-W404 AromaticContact CD2-CZ2 3.37Å; Y401-W404 HydrophobicContact CD2-CZ2 3.37Å; Y401-W404 AromaticContact CD2-NE1 3.7Å; Y401-W404 AromaticContact CE2-CH2 3.94Å; Y401-W404 HydrophobicContact CE2-CH2 3.94Å; Y401-W404 AromaticContact CE2-CZ2 3.42Å; Y401-W404 HydrophobicContact CE2-CZ2 3.42Å; Y401-W404 VanDerWaalsContact CE2-CZ2 3.42Å; Y401-W404 PolarHBondContact O-N 3.35Å; W404-R406 PolarHBondContact O-N 3.42Å; W404-R407 CarbonylContact O-C 3.55Å; W404-R407 WeakPolarHBondContact O-CB 3.4Å; W404-R407 PolarHBondContact O-N 2.97Å; W404-R407 VanDerWaalsContact O-N 3.15Å; W404-L408 HydrophobicContact CE3-CB 4.19Å; W404-L408 HydrophobicContact CE3-CD2 4.36Å; W404-L408 HydrophobicContact CZ3-CB 4.3Å; W404-L408 HydrophobicContact CZ3-CD2 3.68Å; W404-L408 WeakPolarHBondContact O-CB 3.36Å; W404-L408 PolarHBondContact O-N 3.23Å; W404-F456 HydrophobicContact CH2-CB 4.33Å; W404-F456 AromaticContact CH2-CD1 3.62Å; W404-F456 HydrophobicContact CH2-CD1 3.62Å; W404-F456 HydrophobicContact CH2-CD2 4.32Å; W404-F456 AromaticContact CH2-CE1 3.93Å; W404-F456 HydrophobicContact CH2-CE1 3.93Å; W404-F456 AromaticContact CH2-CG 3.83Å; W404-F456 HydrophobicContact CH2-CG 3.83Å; W404-F456 HydrophobicContact CH2-CZ 4.4Å; W404-F456 HydrophobicContact CZ2-CD1 4.46Å; W404-F456 HydrophobicContact CZ3-CD1 4.5Å; W404-F456 HydrophobicContact CZ3-CD2 4.47Å; W404-F456 HydrophobicContact CZ3-CG 4.29Å |
| 405 | E | 86.1 | Confident | 82.7 | Confident | 7 Ų | 7 | 45.1 Ų | 45.1 | 3% | 0.033 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.6 | -43.2 | 175.4 | -175.8 | -179.9 | -138.4 | 0 | 0 | 111.3 | Y401 R407 L408 S409 R455 F456 | Y401-E405 HydrophobicContact CE1-CB 4.39Å; Y401-E405 VanDerWaalsContact CE1-OE2 3.31Å; Y401-E405 WeakPolarHBondContact CE1-OE2 3.34Å; Y401-E405 VanDerWaalsContact O-CB 3.25Å; Y401-E405 WeakPolarHBondContact O-CB 3.36Å; Y401-E405 PolarHBondContact O-N 3.21Å; Y401-E405 PolarHBondContact OH-OE1 3.29Å; E405-R407 VanDerWaalsContact C-N 3.35Å; E405-R407 PolarHBondContact O-N 3.26Å; E405-L408 WeakPolarHBondContact O-CB 3.23Å; E405-L408 PolarHBondContact O-N 3.42Å; E405-S409 WeakPolarHBondContact O-CB 3.34Å; E405-S409 PolarHBondContact O-N 3.15Å; E405-R455 WeakPolarHBondContact OE1-CA 3.36Å; E405-R455 VanDerWaalsContact OE1-CB 3.32Å; E405-R455 WeakPolarHBondContact OE1-CB 3.24Å; E405-R455 WeakPolarHBondContact OE1-CD 3.36Å; E405-R455 WeakPolarHBondContact OE2-CD 3.33Å; E405-R455 IonicContact OE2-CZ 3.74Å; E405-R455 IonicContact OE2-NE 3.97Å; E405-R455 IonicContact OE2-NH1 3.55Å; E405-R455 PolarHBondContact OE2-NH1 3.29Å; E405-F456 HydrophobicContact CG-CB 4.31Å; E405-F456 PolarHBondContact OE1-N 2.93Å |
| 406 | R | 85.9 | Confident | 84 | Confident | 150 Ų | 150 | 43.7 Ų | 43.7 | 57% | 0.566 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -61.4 | -42 | 171.8 | -80.4 | -180 | -74.6 | 127.4 | -10.7 | 112.2 | D402 V403 W404 L408 S409 S410 | D402-R406 WeakPolarHBondContact O-CG 3.46Å; D402-R406 PolarHBondContact O-N 2.72Å; D402-R406 PolarHBondContact O-NE 3.47Å; V403-R406 VanDerWaalsContact CG2-NH2 3.3Å; V403-R406 PolarHBondContact O-N 3.02Å; W404-R406 PolarHBondContact O-N 3.42Å; R406-L408 VanDerWaalsContact C-N 3.33Å; R406-S409 PolarHBondContact O-N 3.09Å; R406-S410 WeakPolarHBondContact O-CB 3.14Å; R406-S410 PolarHBondContact O-N 3.37Å |
| 407 | R | 89.9 | Confident | 85.1 | Confident | 82 Ų | 82 | 49.8 Ų | 49.8 | 31% | 0.309 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -64 | -38.5 | 175.5 | -72.3 | 179.2 | 178.4 | -156.2 | 1.2 | 111.5 | L341 E346 I399 V403 W404 E405 R411 | L341-R407 HydrophobicContact CD1-CB 4.33Å; E346-R407 IonicContact OE1-CZ 3.49Å; E346-R407 IonicContact OE1-NH1 2.96Å; E346-R407 PolarHBondContact OE1-NH1 2.86Å; E346-R407 IonicContact OE1-NH2 3.02Å; E346-R407 PolarHBondContact OE1-NH2 2.78Å; E346-R407 IonicContact OE2-NH1 2.78Å; E346-R407 PolarHBondContact OE2-NH1 3.34Å; I399-R407 VanDerWaalsContact CD1-NH1 3.25Å; V403-R407 WeakPolarHBondContact O-CG 3.39Å; V403-R407 PolarHBondContact O-N 2.96Å; W404-R407 CarbonylContact O-C 3.55Å; W404-R407 WeakPolarHBondContact O-CB 3.4Å; W404-R407 PolarHBondContact O-N 2.97Å; W404-R407 VanDerWaalsContact O-N 3.15Å; E405-R407 VanDerWaalsContact C-N 3.35Å; E405-R407 PolarHBondContact O-N 3.26Å; R407-R411 WeakPolarHBondContact O-CB 3.05Å; R407-R411 PolarHBondContact O-N 2.91Å |
| 408 | L | 90.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.1 | -50.3 | 175.6 | -178.9 | 63 | 0 | 0 | 0 | 110.8 | M337 L341 W404 E405 R406 S410 R411 I412 L451 F456 I467 L471 | M337-L408 HydrophobicContact CE-CD1 4.18Å; M337-L408 HydrophobicContact CE-CD2 3.92Å; M337-L408 HydrophobicContact CE-CG 4.48Å; L341-L408 HydrophobicContact CD1-CB 4.02Å; L341-L408 HydrophobicContact CD2-CB 4.39Å; L341-L408 HydrophobicContact CD2-CD1 4.11Å; W404-L408 HydrophobicContact CE3-CB 4.19Å; W404-L408 HydrophobicContact CE3-CD2 4.36Å; W404-L408 HydrophobicContact CZ3-CB 4.3Å; W404-L408 HydrophobicContact CZ3-CD2 3.68Å; W404-L408 WeakPolarHBondContact O-CB 3.36Å; W404-L408 PolarHBondContact O-N 3.23Å; E405-L408 WeakPolarHBondContact O-CB 3.23Å; E405-L408 PolarHBondContact O-N 3.42Å; R406-L408 VanDerWaalsContact C-N 3.33Å; L408-S410 VanDerWaalsContact C-N 3.32Å; L408-S410 PolarHBondContact O-N 3.16Å; L408-R411 CarbonylContact O-C 3.49Å; L408-R411 WeakPolarHBondContact O-CA 2.83Å; L408-R411 WeakPolarHBondContact O-CB 3.47Å; L408-R411 PolarHBondContact O-N 3.37Å; L408-I412 HydrophobicContact CD1-CD1 4Å; L408-I412 HydrophobicContact CD1-CG1 4.09Å; L408-I412 HydrophobicContact CD2-CD1 4.48Å; L408-I412 HydrophobicContact CG-CD1 3.96Å; L408-I412 HydrophobicContact CG-CG1 4.33Å; L408-I412 WeakPolarHBondContact O-CG1 2.94Å; L408-I412 PolarHBondContact O-N 2.93Å; L408-L451 HydrophobicContact CB-CD1 4.41Å; L408-L451 HydrophobicContact CD2-CD1 3.8Å; L408-L451 HydrophobicContact CG-CD1 3.77Å; L408-F456 HydrophobicContact CD2-CD2 3.81Å; L408-F456 HydrophobicContact CD2-CE2 4.16Å; L408-I467 HydrophobicContact CD1-CG2 4.05Å; L408-I467 HydrophobicContact CD2-CG2 3.94Å; L408-I467 HydrophobicContact CG-CG2 4.43Å; L408-L471 HydrophobicContact CD1-CD2 4.35Å |
| 409 | S | 88.8 | Confident | 86.1 | Confident | 25 Ų | 25 | 45.5 Ų | 45.5 | 18% | 0.175 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.4 | -45.2 | 179.1 | -173.6 | 0 | 0 | 0 | 0 | 111.2 | E405 R406 R411 I412 D413 N449 | E405-S409 WeakPolarHBondContact O-CB 3.34Å; E405-S409 PolarHBondContact O-N 3.15Å; R406-S409 PolarHBondContact O-N 3.09Å; S409-R411 VanDerWaalsContact C-N 3.31Å; S409-R411 PolarHBondContact O-N 2.9Å; S409-I412 PolarHBondContact O-N 2.79Å; S409-D413 WeakPolarHBondContact O-CB 3.15Å; S409-D413 PolarHBondContact O-N 2.61Å; S409-N449 PolarHBondContact O-ND2 3.02Å |
| 410 | S | 88.4 | Confident | 86.1 | Confident | 70 Ų | 70 | 50.4 Ų | 50.4 | 49% | 0.49 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.6 | -37.8 | 173.8 | -172.5 | 0 | 0 | 0 | 0 | 113 | R406 L408 S414 | R406-S410 WeakPolarHBondContact O-CB 3.14Å; R406-S410 PolarHBondContact O-N 3.37Å; L408-S410 VanDerWaalsContact C-N 3.32Å; L408-S410 PolarHBondContact O-N 3.16Å; S410-S414 WeakPolarHBondContact O-CB 3.41Å; S410-S414 PolarHBondContact O-N 3.45Å |
| 411 | R | 89.5 | Confident | 86.2 | Confident | 56 Ų | 56 | 52 Ų | 52 | 21% | 0.211 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.3 | -44.8 | 176.9 | -177.2 | 65.9 | 65.6 | 78.1 | 7.6 | 111.6 | R407 L408 S409 S414 W415 | R407-R411 WeakPolarHBondContact O-CB 3.05Å; R407-R411 PolarHBondContact O-N 2.91Å; L408-R411 CarbonylContact O-C 3.49Å; L408-R411 WeakPolarHBondContact O-CA 2.83Å; L408-R411 WeakPolarHBondContact O-CB 3.47Å; L408-R411 PolarHBondContact O-N 3.37Å; S409-R411 VanDerWaalsContact C-N 3.31Å; S409-R411 PolarHBondContact O-N 2.9Å; R411-S414 WeakPolarHBondContact O-CB 3.45Å; R411-S414 PolarHBondContact O-N 3.03Å; R411-W415 HydrophobicContact CG-CZ2 3.87Å; R411-W415 PolarHBondContact O-N 3.01Å |
| 412 | I | 88.6 | Confident | 86.2 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.7 | -41.7 | 177.9 | -62.6 | -177.9 | 0 | 0 | 0 | 110 | L408 S409 S414 W415 Y416 N449 L451 I467 | L408-I412 HydrophobicContact CD1-CD1 4Å; L408-I412 HydrophobicContact CD1-CG1 4.09Å; L408-I412 HydrophobicContact CD2-CD1 4.48Å; L408-I412 HydrophobicContact CG-CD1 3.96Å; L408-I412 HydrophobicContact CG-CG1 4.33Å; L408-I412 WeakPolarHBondContact O-CG1 2.94Å; L408-I412 PolarHBondContact O-N 2.93Å; S409-I412 PolarHBondContact O-N 2.79Å; I412-S414 VanDerWaalsContact C-N 3.25Å; I412-S414 PolarHBondContact O-N 3.42Å; I412-W415 HydrophobicContact CG1-CE3 4.1Å; I412-W415 HydrophobicContact CG1-CZ3 4.14Å; I412-W415 CarbonylContact O-C 3.57Å; I412-W415 WeakPolarHBondContact O-CA 3.3Å; I412-W415 WeakPolarHBondContact O-CB 3.38Å; I412-W415 PolarHBondContact O-N 3.27Å; I412-Y416 HydrophobicContact CG2-CD2 3.54Å; I412-Y416 HydrophobicContact CG2-CE2 3.51Å; I412-Y416 WeakPolarHBondContact O-CD2 3.32Å; I412-Y416 PolarHBondContact O-N 2.96Å; I412-N449 HydrophobicContact CG2-CB 4.13Å; I412-N449 VanDerWaalsContact CG2-CG 3.48Å; I412-N449 WeakPolarHBondContact CG2-OD1 3.45Å; I412-L451 HydrophobicContact CD1-CD1 3.62Å; I412-L451 HydrophobicContact CD1-CG 4.31Å; I412-I467 HydrophobicContact CD1-CD1 4.3Å; I412-I467 HydrophobicContact CD1-CG1 4.29Å; I412-I467 HydrophobicContact CD1-CG2 3.66Å |
| 413 | D | 88.7 | Confident | 86 | Confident | 48 Ų | 48 | 53.7 Ų | 53.7 | 26% | 0.257 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -56.3 | -41.3 | 171.2 | -85 | -13.3 | 0 | 0 | 0 | 112 | S409 W415 Y416 R417 N449 | S409-D413 WeakPolarHBondContact O-CB 3.15Å; S409-D413 PolarHBondContact O-N 2.61Å; D413-W415 VanDerWaalsContact C-N 3.31Å; D413-W415 PolarHBondContact O-N 2.9Å; D413-Y416 PolarHBondContact O-N 3.38Å; D413-R417 VanDerWaalsContact O-CB 3.25Å; D413-R417 WeakPolarHBondContact O-CB 3.11Å; D413-R417 VanDerWaalsContact O-CG 3.31Å; D413-R417 WeakPolarHBondContact O-CG 2.91Å; D413-R417 PolarHBondContact O-N 3.17Å; D413-R417 PolarHBondContact O-NE 3.33Å; D413-N449 WeakPolarHBondContact OD1-CB 3.33Å; D413-N449 PolarHBondContact OD1-ND2 3.49Å |
| 414 | S | 88.3 | Confident | 85.7 | Confident | 47 Ų | 47 | 60 Ų | 60 | 33% | 0.329 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.2 | -38.9 | 174.4 | -174.4 | 0 | 0 | 0 | 0 | 111.6 | S410 R411 I412 L418 | S410-S414 WeakPolarHBondContact O-CB 3.41Å; S410-S414 PolarHBondContact O-N 3.45Å; R411-S414 WeakPolarHBondContact O-CB 3.45Å; R411-S414 PolarHBondContact O-N 3.03Å; I412-S414 VanDerWaalsContact C-N 3.25Å; I412-S414 PolarHBondContact O-N 3.42Å; S414-L418 VanDerWaalsContact O-CB 3.27Å; S414-L418 WeakPolarHBondContact O-CB 3.39Å; S414-L418 WeakPolarHBondContact O-CD1 3.16Å; S414-L418 WeakPolarHBondContact O-CG 3.4Å; S414-L418 PolarHBondContact O-N 3.42Å |
| 415 | W | 87.8 | Confident | 85.1 | Confident | 8 Ų | 8 | 61.1 Ų | 61.1 | 3% | 0.03 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.7 | -47.4 | 174.9 | -66.5 | -14.9 | 0 | 0 | 0 | 112.7 | R411 I412 D413 L418 F419 L434 L436 F440 A470 L471 S474 | R411-W415 HydrophobicContact CG-CZ2 3.87Å; R411-W415 PolarHBondContact O-N 3.01Å; I412-W415 HydrophobicContact CG1-CE3 4.1Å; I412-W415 HydrophobicContact CG1-CZ3 4.14Å; I412-W415 CarbonylContact O-C 3.57Å; I412-W415 WeakPolarHBondContact O-CA 3.3Å; I412-W415 WeakPolarHBondContact O-CB 3.38Å; I412-W415 PolarHBondContact O-N 3.27Å; D413-W415 VanDerWaalsContact C-N 3.31Å; D413-W415 PolarHBondContact O-N 2.9Å; W415-L418 PolarHBondContact O-N 2.81Å; W415-F419 VanDerWaalsContact O-CB 3.22Å; W415-F419 WeakPolarHBondContact O-CB 3.47Å; W415-F419 PolarHBondContact O-N 2.9Å; W415-L434 HydrophobicContact CB-CD1 4.16Å; W415-L434 WeakPolarHBondContact O-CD1 3.47Å; W415-L436 HydrophobicContact CB-CD1 4.04Å; W415-L436 HydrophobicContact CD2-CD1 4.19Å; W415-L436 HydrophobicContact CD2-CD2 3.85Å; W415-L436 HydrophobicContact CE3-CD1 4.19Å; W415-L436 HydrophobicContact CE3-CD2 3.56Å; W415-L436 HydrophobicContact CG-CD1 4.15Å; W415-L436 HydrophobicContact CH2-CD2 4.04Å; W415-L436 HydrophobicContact CZ2-CD2 4.29Å; W415-L436 HydrophobicContact CZ3-CD2 3.66Å; W415-F440 HydrophobicContact CE3-CZ 4.42Å; W415-A470 HydrophobicContact CH2-CB 4.43Å; W415-A470 HydrophobicContact CZ3-CB 4.13Å; W415-L471 HydrophobicContact CH2-CB 4.24Å; W415-L471 HydrophobicContact CH2-CD1 4.01Å; W415-L471 HydrophobicContact CZ2-CD1 4.14Å; W415-S474 VanDerWaalsContact CZ2-CB 3.4Å; W415-S474 WeakPolarHBondContact CZ2-OG 3.41Å |
| 416 | Y | 87.8 | Confident | 84.8 | Confident | 12 Ų | 12 | 64.4 Ų | 64.4 | 5% | 0.047 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.1 | -41 | 177.7 | -83.6 | -91 | 0 | 0 | 0 | 111.9 | I412 D413 F419 W420 F440 F441 C444 G445 N449 | I412-Y416 HydrophobicContact CG2-CD2 3.54Å; I412-Y416 HydrophobicContact CG2-CE2 3.51Å; I412-Y416 WeakPolarHBondContact O-CD2 3.32Å; I412-Y416 PolarHBondContact O-N 2.96Å; D413-Y416 PolarHBondContact O-N 3.38Å; Y416-F419 WeakPolarHBondContact O-CB 3.46Å; Y416-F419 PolarHBondContact O-N 3.17Å; Y416-W420 VanDerWaalsContact O-CD1 3.31Å; Y416-W420 PolarHBondContact O-N 3.26Å; Y416-F440 HydrophobicContact CE2-CE1 4.11Å; Y416-F440 HydrophobicContact CE2-CZ 4.16Å; Y416-F441 HydrophobicContact CE1-CD1 4.49Å; Y416-F441 HydrophobicContact CE1-CE1 4.39Å; Y416-C444 WeakPolarHBondContact OH-CB 3.25Å; Y416-G445 WeakPolarHBondContact CE1-O 3.31Å; Y416-G445 PolarHBondContact OH-O 3.36Å; Y416-N449 HydrophobicContact CD2-CB 3.96Å; Y416-N449 HydrophobicContact CE2-CB 4.26Å; Y416-N449 HydrophobicContact CG-CB 4.45Å |
| 417 | R | 86.6 | Confident | 84.4 | Confident | 139 Ų | 139 | 58.5 Ų | 58.5 | 53% | 0.525 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59 | -49.6 | 172.4 | -79.8 | -176.3 | -92.4 | 167 | -12.2 | 111.5 | D413 F419 W420 E421 | D413-R417 VanDerWaalsContact O-CB 3.25Å; D413-R417 WeakPolarHBondContact O-CB 3.11Å; D413-R417 VanDerWaalsContact O-CG 3.31Å; D413-R417 WeakPolarHBondContact O-CG 2.91Å; D413-R417 PolarHBondContact O-N 3.17Å; D413-R417 PolarHBondContact O-NE 3.33Å; R417-F419 VanDerWaalsContact C-N 3.31Å; R417-F419 PolarHBondContact O-N 3.18Å; R417-W420 PolarHBondContact O-N 3.35Å; R417-E421 VanDerWaalsContact O-CB 3.32Å; R417-E421 WeakPolarHBondContact O-CB 3.48Å; R417-E421 WeakPolarHBondContact O-CG 3.5Å; R417-E421 PolarHBondContact O-N 2.97Å |
| 418 | L | 82.9 | Confident | 83.7 | Confident | 41 Ų | 41 | 60.3 Ų | 60.3 | 22% | 0.215 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.1 | -34.7 | 178.5 | -71.6 | 171.7 | 0 | 0 | 0 | 112.6 | S414 W415 K422 G423 W429 L434 | S414-L418 VanDerWaalsContact O-CB 3.27Å; S414-L418 WeakPolarHBondContact O-CB 3.39Å; S414-L418 WeakPolarHBondContact O-CD1 3.16Å; S414-L418 WeakPolarHBondContact O-CG 3.4Å; S414-L418 PolarHBondContact O-N 3.42Å; W415-L418 PolarHBondContact O-N 2.81Å; L418-K422 HydrophobicContact CD2-CD 3.88Å; L418-K422 HydrophobicContact CD2-CG 4.48Å; L418-K422 WeakPolarHBondContact O-CB 3.5Å; L418-K422 PolarHBondContact O-N 2.99Å; L418-G423 PolarHBondContact O-N 2.93Å; L418-G423 VanDerWaalsContact O-N 3.15Å; L418-W429 HydrophobicContact CB-CH2 4.16Å; L418-W429 HydrophobicContact CB-CZ3 4.39Å; L418-W429 VanDerWaalsContact O-CH2 3.3Å; L418-W429 WeakPolarHBondContact O-CH2 3.36Å; L418-W429 VanDerWaalsContact O-CZ3 3.23Å; L418-W429 WeakPolarHBondContact O-CZ3 3.39Å; L418-L434 HydrophobicContact CB-CD1 4.22Å; L418-L434 HydrophobicContact CB-CD2 4.04Å; L418-L434 HydrophobicContact CD1-CD2 3.65Å |
| 419 | F | 83.9 | Confident | 83.2 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63 | -41.7 | 176.2 | 176.7 | -117.5 | 0 | 0 | 0 | 112.3 | W415 Y416 R417 G423 K424 G425 V427 A430 F441 Y446 | W415-F419 VanDerWaalsContact O-CB 3.22Å; W415-F419 WeakPolarHBondContact O-CB 3.47Å; W415-F419 PolarHBondContact O-N 2.9Å; Y416-F419 WeakPolarHBondContact O-CB 3.46Å; Y416-F419 PolarHBondContact O-N 3.17Å; R417-F419 VanDerWaalsContact C-N 3.31Å; R417-F419 PolarHBondContact O-N 3.18Å; F419-G423 CarbonylContact O-C 3.43Å; F419-G423 WeakPolarHBondContact O-CA 3.44Å; F419-G423 PolarHBondContact O-N 3.49Å; F419-K424 PolarHBondContact O-N 2.71Å; F419-K424 VanDerWaalsContact O-N 3.09Å; F419-G425 VanDerWaalsContact CZ-O 3.23Å; F419-G425 WeakPolarHBondContact CZ-O 3.38Å; F419-G425 PolarHBondContact O-N 3.32Å; F419-G425 VanDerWaalsContact O-N 3.15Å; F419-V427 HydrophobicContact CZ-CG2 4.39Å; F419-A430 HydrophobicContact CD2-CB 3.74Å; F419-A430 HydrophobicContact CE2-CB 4.14Å; F419-F441 AromaticContact CD1-CE1 3.93Å; F419-F441 HydrophobicContact CD1-CE1 3.93Å; F419-F441 HydrophobicContact CD1-CZ 4.36Å; F419-F441 HydrophobicContact CD2-CE1 4.27Å; F419-F441 AromaticContact CD2-CZ 3.89Å; F419-F441 HydrophobicContact CD2-CZ 3.89Å; F419-F441 HydrophobicContact CE1-CD1 4.29Å; F419-F441 HydrophobicContact CE1-CE1 4.01Å; F419-F441 HydrophobicContact CE2-CE1 4.32Å; F419-F441 HydrophobicContact CE2-CE2 4.31Å; F419-F441 HydrophobicContact CE2-CZ 4.03Å; F419-F441 HydrophobicContact CG-CE1 4.04Å; F419-F441 HydrophobicContact CG-CZ 4.02Å; F419-F441 HydrophobicContact CZ-CD1 4.38Å; F419-F441 HydrophobicContact CZ-CE1 4.18Å; F419-F441 HydrophobicContact CZ-CZ 4.33Å; F419-Y446 HydrophobicContact CZ-CD1 4.44Å |
| 420 | W | 80.1 | Confident | 82.7 | Confident | 122 Ų | 122 | 61.4 Ų | 61.4 | 46% | 0.462 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -81.4 | -47.6 | 178.5 | -75 | 116.6 | 0 | 0 | 0 | 113.1 | Y416 R417 K424 Y446 | Y416-W420 VanDerWaalsContact O-CD1 3.31Å; Y416-W420 PolarHBondContact O-N 3.26Å; R417-W420 PolarHBondContact O-N 3.35Å; W420-K424 WeakPolarHBondContact O-CA 3.45Å; W420-K424 PolarHBondContact O-N 2.87Å; W420-Y446 VanDerWaalsContact CZ2-O 3.27Å; W420-Y446 WeakPolarHBondContact CZ2-O 3.37Å; W420-Y446 PolarHBondContact NE1-O 3.35Å |
| 421 | E | 82.6 | Confident | 82 | Confident | 139 Ų | 139 | 58.1 Ų | 58.1 | 65% | 0.65 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -67 | -50.1 | -177.5 | -71.3 | 178.7 | 177.5 | 0 | 0 | 112.4 | R417 | R417-E421 VanDerWaalsContact O-CB 3.32Å; R417-E421 WeakPolarHBondContact O-CB 3.48Å; R417-E421 WeakPolarHBondContact O-CG 3.5Å; R417-E421 PolarHBondContact O-N 2.97Å |
| 422 | K | 81.2 | Confident | 81.1 | Confident | 134 Ų | 134 | 60.2 Ų | 60.2 | 58% | 0.583 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | -32.9 | -173.3 | -62.9 | -174.7 | -175.4 | 173 | 0 | 112.9 | L418 W429 | L418-K422 HydrophobicContact CD2-CD 3.88Å; L418-K422 HydrophobicContact CD2-CG 4.48Å; L418-K422 WeakPolarHBondContact O-CB 3.5Å; L418-K422 PolarHBondContact O-N 2.99Å; K422-W429 HydrophobicContact CB-CH2 3.59Å; K422-W429 HydrophobicContact CB-CZ2 3.27Å; K422-W429 HydrophobicContact CD-CZ2 4.31Å; K422-W429 HydrophobicContact CG-CZ2 4.4Å |
| 423 | G | 75.7 | Confident | 80.3 | Confident | 5 Ų | 5 | 66.8 Ų | 66.8 | 5% | 0.052 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -17 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | L418 F419 G425 V426 W429 | L418-G423 PolarHBondContact O-N 2.93Å; L418-G423 VanDerWaalsContact O-N 3.15Å; F419-G423 CarbonylContact O-C 3.43Å; F419-G423 WeakPolarHBondContact O-CA 3.44Å; F419-G423 PolarHBondContact O-N 3.49Å; G423-G425 PolarHBondContact O-N 2.77Å; G423-G425 VanDerWaalsContact O-N 3.17Å; G423-V426 WeakPolarHBondContact O-CB 3.48Å; G423-V426 WeakPolarHBondContact O-CG2 3.41Å; G423-V426 PolarHBondContact O-N 2.9Å; G423-W429 VanDerWaalsContact CA-CE3 3.43Å |
| 424 | K | 78 | Confident | 79.7 | Confident | 176 Ų | 176 | 65.2 Ų | 65.2 | 77% | 0.765 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 31.9 | -173.8 | -56.8 | -175.2 | 177.8 | -172.7 | 0 | 112.8 | F419 W420 V426 | F419-K424 PolarHBondContact O-N 2.71Å; F419-K424 VanDerWaalsContact O-N 3.09Å; W420-K424 WeakPolarHBondContact O-CA 3.45Å; W420-K424 PolarHBondContact O-N 2.87Å; K424-V426 VanDerWaalsContact C-N 3.34Å; K424-V426 PolarHBondContact O-N 3.21Å |
| 425 | G | 75.4 | Confident | 78.8 | Confident | 23 Ų | 23 | 63 Ų | 63 | 24% | 0.237 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 7.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | F419 G423 V427 | F419-G425 VanDerWaalsContact CZ-O 3.23Å; F419-G425 WeakPolarHBondContact CZ-O 3.38Å; F419-G425 PolarHBondContact O-N 3.32Å; F419-G425 VanDerWaalsContact O-N 3.15Å; G423-G425 PolarHBondContact O-N 2.77Å; G423-G425 VanDerWaalsContact O-N 3.17Å; G425-V427 PolarHBondContact O-N 2.91Å |
| 426 | V | 80.4 | Confident | 78.4 | Confident | 76 Ų | 76 | 62.6 Ų | 62.6 | 46% | 0.461 | 28% | 0.28 | S | S | . | . | trans | -81.4 | 113.2 | 178.3 | -178.9 | 0 | 0 | 0 | 0 | 110.5 | G423 K424 E428 W429 A430 | G423-V426 WeakPolarHBondContact O-CB 3.48Å; G423-V426 WeakPolarHBondContact O-CG2 3.41Å; G423-V426 PolarHBondContact O-N 2.9Å; K424-V426 VanDerWaalsContact C-N 3.34Å; K424-V426 PolarHBondContact O-N 3.21Å; V426-E428 VanDerWaalsContact C-N 3.32Å; V426-E428 HydrophobicContact CG1-CB 4.12Å; V426-E428 PolarHBondContact O-N 3.35Å; V426-W429 HydrophobicContact CB-CB 4.15Å; V426-W429 HydrophobicContact CG1-CB 4.41Å; V426-W429 WeakPolarHBondContact O-CA 3.06Å; V426-W429 VanDerWaalsContact O-CB 3.24Å; V426-W429 WeakPolarHBondContact O-CB 3.49Å; V426-W429 PolarHBondContact O-N 3.03Å; V426-A430 PolarHBondContact O-N 3.37Å | ||
| 427 | V | 77.2 | Confident | 77.8 | Confident | 26 Ų | 26 | 63 Ų | 63 | 16% | 0.158 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.6 | -42.9 | -179 | -176.6 | 0 | 0 | 0 | 0 | 112.4 | F419 G425 W429 A430 T431 K438 F441 Y446 | F419-V427 HydrophobicContact CZ-CG2 4.39Å; G425-V427 PolarHBondContact O-N 2.91Å; V427-W429 PolarHBondContact O-N 2.75Å; V427-W429 VanDerWaalsContact O-N 3.11Å; V427-A430 WeakPolarHBondContact O-CB 3.22Å; V427-A430 PolarHBondContact O-N 3.03Å; V427-T431 PolarHBondContact O-N 2.99Å; V427-T431 PolarHBondContact O-OG1 3.07Å; V427-K438 HydrophobicContact CG1-CB 4.23Å; V427-K438 HydrophobicContact CG1-CG 3.91Å; V427-F441 HydrophobicContact CG1-CD2 3.87Å; V427-F441 HydrophobicContact CG1-CE2 4.35Å; V427-F441 HydrophobicContact CG2-CD2 4.42Å; V427-Y446 HydrophobicContact CG2-CD1 4.42Å; V427-Y446 HydrophobicContact CG2-CE1 3.57Å |
| 428 | E | 75.3 | Confident | 77.1 | Confident | 120 Ų | 120 | 62.7 Ų | 62.7 | 56% | 0.561 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -58.3 | -29.2 | 176.6 | -61.1 | -174.2 | 175.6 | 0 | 0 | 112.7 | V426 R432 | V426-E428 VanDerWaalsContact C-N 3.32Å; V426-E428 HydrophobicContact CG1-CB 4.12Å; V426-E428 PolarHBondContact O-N 3.35Å; E428-R432 WeakPolarHBondContact O-CB 3.39Å; E428-R432 PolarHBondContact O-N 2.69Å; E428-R432 IonicContact OE2-NH2 3.79Å |
| 429 | W | 81.2 | Confident | 76.8 | Confident | 48 Ų | 48 | 62.1 Ų | 62.1 | 18% | 0.182 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.9 | -44.3 | 174.4 | -178.5 | 102.1 | 0 | 0 | 0 | 110.9 | L418 K422 G423 V426 V427 T431 R432 R433 L434 | L418-W429 HydrophobicContact CB-CH2 4.16Å; L418-W429 HydrophobicContact CB-CZ3 4.39Å; L418-W429 VanDerWaalsContact O-CH2 3.3Å; L418-W429 WeakPolarHBondContact O-CH2 3.36Å; L418-W429 VanDerWaalsContact O-CZ3 3.23Å; L418-W429 WeakPolarHBondContact O-CZ3 3.39Å; K422-W429 HydrophobicContact CB-CH2 3.59Å; K422-W429 HydrophobicContact CB-CZ2 3.27Å; K422-W429 HydrophobicContact CD-CZ2 4.31Å; K422-W429 HydrophobicContact CG-CZ2 4.4Å; G423-W429 VanDerWaalsContact CA-CE3 3.43Å; V426-W429 HydrophobicContact CB-CB 4.15Å; V426-W429 HydrophobicContact CG1-CB 4.41Å; V426-W429 WeakPolarHBondContact O-CA 3.06Å; V426-W429 VanDerWaalsContact O-CB 3.24Å; V426-W429 WeakPolarHBondContact O-CB 3.49Å; V426-W429 PolarHBondContact O-N 3.03Å; V427-W429 PolarHBondContact O-N 2.75Å; V427-W429 VanDerWaalsContact O-N 3.11Å; W429-T431 VanDerWaalsContact C-N 3.33Å; W429-R432 CarbonylContact O-C 3.55Å; W429-R432 PolarHBondContact O-N 3.13Å; W429-R432 VanDerWaalsContact O-N 3.16Å; W429-R433 HydrophobicContact CD2-CB 3.93Å; W429-R433 HydrophobicContact CE3-CB 4.21Å; W429-R433 HydrophobicContact CH2-CB 3.88Å; W429-R433 HydrophobicContact CH2-CG 3.95Å; W429-R433 HydrophobicContact CZ2-CB 3.61Å; W429-R433 HydrophobicContact CZ2-CG 3.52Å; W429-R433 HydrophobicContact CZ3-CB 4.18Å; W429-R433 VanDerWaalsContact O-CB 3.32Å; W429-R433 WeakPolarHBondContact O-CB 3.44Å; W429-R433 PolarHBondContact O-N 2.98Å; W429-L434 HydrophobicContact CH2-CG 4.42Å; W429-L434 HydrophobicContact CZ3-CD1 3.94Å; W429-L434 HydrophobicContact CZ3-CG 3.92Å |
| 430 | A | 77.4 | Confident | 76.8 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | F419 V426 V427 R432 R433 L434 G435 L436 F441 | F419-A430 HydrophobicContact CD2-CB 3.74Å; F419-A430 HydrophobicContact CE2-CB 4.14Å; V426-A430 PolarHBondContact O-N 3.37Å; V427-A430 WeakPolarHBondContact O-CB 3.22Å; V427-A430 PolarHBondContact O-N 3.03Å; A430-R432 PolarHBondContact O-N 3.49Å; A430-R433 PolarHBondContact O-N 3.23Å; A430-L434 HydrophobicContact CB-CD1 4.27Å; A430-L434 CarbonylContact O-C 3.52Å; A430-L434 WeakPolarHBondContact O-CA 3.14Å; A430-L434 WeakPolarHBondContact O-CB 3.2Å; A430-L434 PolarHBondContact O-N 3.46Å; A430-G435 PolarHBondContact O-N 3.46Å; A430-L436 HydrophobicContact CB-CD1 4.43Å; A430-F441 HydrophobicContact CB-CE2 3.55Å; A430-F441 HydrophobicContact CB-CZ 3.7Å |
| 431 | T | 73.9 | Confident | 77 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.9 | -27.6 | 175.8 | -54.7 | 0 | 0 | 0 | 0 | 113.1 | V427 W429 L436 P774 Q777 F778 | V427-T431 PolarHBondContact O-N 2.99Å; V427-T431 PolarHBondContact O-OG1 3.07Å; W429-T431 VanDerWaalsContact C-N 3.33Å; T431-L436 VanDerWaalsContact CA-O 3.25Å; T431-L436 WeakPolarHBondContact CA-O 3.3Å; T431-L436 VanDerWaalsContact CB-O 3.31Å; T431-L436 WeakPolarHBondContact CB-O 3.33Å; T431-L436 PolarHBondContact OG1-O 3.3Å; T431-P774 HydrophobicContact CG2-CB 3.4Å; T431-P774 VanDerWaalsContact CG2-CB 3.4Å; T431-Q777 HydrophobicContact CG2-CB 3.52Å; T431-Q777 HydrophobicContact CG2-CG 4.12Å; T431-F778 WeakPolarHBondContact O-CD2 3.28Å |
| 432 | R | 69.3 | Low | 77 | Confident | 100 Ų | 100 | 54.5 Ų | 54.5 | 38% | 0.377 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -91.4 | -33.3 | 177.9 | 172.5 | 176.6 | -46.5 | 113.5 | 7.3 | 114.9 | E428 W429 A430 R477 F778 L781 | E428-R432 WeakPolarHBondContact O-CB 3.39Å; E428-R432 PolarHBondContact O-N 2.69Å; E428-R432 IonicContact OE2-NH2 3.79Å; W429-R432 CarbonylContact O-C 3.55Å; W429-R432 PolarHBondContact O-N 3.13Å; W429-R432 VanDerWaalsContact O-N 3.16Å; A430-R432 PolarHBondContact O-N 3.49Å; R432-R477 PolarHBondContact O-NH2 3.2Å; R432-F778 WeakPolarHBondContact O-CD2 3.34Å; R432-F778 WeakPolarHBondContact O-CE2 3.35Å; R432-L781 HydrophobicContact CB-CD1 3.5Å; R432-L781 VanDerWaalsContact CB-CD1 3.5Å; R432-L781 HydrophobicContact CG-CB 3.9Å; R432-L781 HydrophobicContact CG-CD1 3.26Å; R432-L781 HydrophobicContact CG-CD2 3.96Å; R432-L781 HydrophobicContact CG-CG 3.84Å |
| 433 | R | 73.7 | Confident | 77.1 | Confident | 138 Ų | 138 | 49.7 Ų | 49.7 | 52% | 0.521 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -107.1 | -24.4 | -179.4 | -154.5 | 64.6 | 173.7 | 85.7 | -2 | 118.7 | W429 A430 F778 | W429-R433 HydrophobicContact CD2-CB 3.93Å; W429-R433 HydrophobicContact CE3-CB 4.21Å; W429-R433 HydrophobicContact CH2-CB 3.88Å; W429-R433 HydrophobicContact CH2-CG 3.95Å; W429-R433 HydrophobicContact CZ2-CB 3.61Å; W429-R433 HydrophobicContact CZ2-CG 3.52Å; W429-R433 HydrophobicContact CZ3-CB 4.18Å; W429-R433 VanDerWaalsContact O-CB 3.32Å; W429-R433 WeakPolarHBondContact O-CB 3.44Å; W429-R433 PolarHBondContact O-N 2.98Å; A430-R433 PolarHBondContact O-N 3.23Å; R433-F778 VanDerWaalsContact CA-CE2 3.43Å; R433-F778 VanDerWaalsContact N-CE2 3.27Å; R433-F778 VanDerWaalsContact O-CZ 3.23Å; R433-F778 WeakPolarHBondContact O-CZ 3.44Å |
| 434 | L | 75 | Confident | 77.4 | Confident | 15 Ų | 15 | 50 Ų | 50 | 8% | 0.079 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | -28.4 | 176.2 | -58.7 | 177.2 | 0 | 0 | 0 | 115.8 | W415 L418 W429 A430 L436 S474 F778 | W415-L434 HydrophobicContact CB-CD1 4.16Å; W415-L434 WeakPolarHBondContact O-CD1 3.47Å; L418-L434 HydrophobicContact CB-CD1 4.22Å; L418-L434 HydrophobicContact CB-CD2 4.04Å; L418-L434 HydrophobicContact CD1-CD2 3.65Å; W429-L434 HydrophobicContact CH2-CG 4.42Å; W429-L434 HydrophobicContact CZ3-CD1 3.94Å; W429-L434 HydrophobicContact CZ3-CG 3.92Å; A430-L434 HydrophobicContact CB-CD1 4.27Å; A430-L434 CarbonylContact O-C 3.52Å; A430-L434 WeakPolarHBondContact O-CA 3.14Å; A430-L434 WeakPolarHBondContact O-CB 3.2Å; A430-L434 PolarHBondContact O-N 3.46Å; L434-L436 HydrophobicContact CB-CD1 4.01Å; L434-L436 HydrophobicContact CB-CG 3.94Å; L434-L436 HydrophobicContact CD1-CD1 3.93Å; L434-S474 PolarHBondContact O-OG 2.94Å; L434-F778 VanDerWaalsContact C-CE2 3.47Å; L434-F778 VanDerWaalsContact O-CE1 3.24Å; L434-F778 WeakPolarHBondContact O-CE1 3.36Å; L434-F778 WeakPolarHBondContact O-CZ 3.29Å |
| 435 | G | 70.6 | Confident | 77.6 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | 92.7 | 26.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | A430 E473 F778 | A430-G435 PolarHBondContact O-N 3.46Å; G435-E473 WeakPolarHBondContact O-CB 3.15Å; G435-F778 VanDerWaalsContact CA-CD2 3.45Å; G435-F778 VanDerWaalsContact CA-CE2 3.47Å; G435-F778 VanDerWaalsContact CA-CZ 3.44Å | ||
| 436 | L | 78.9 | Confident | 77.7 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -92.3 | 135.7 | -177.1 | -57.7 | 174.1 | 0 | 0 | 0 | 109.4 | W415 A430 T431 L434 F440 F441 A470 | W415-L436 HydrophobicContact CB-CD1 4.04Å; W415-L436 HydrophobicContact CD2-CD1 4.19Å; W415-L436 HydrophobicContact CD2-CD2 3.85Å; W415-L436 HydrophobicContact CE3-CD1 4.19Å; W415-L436 HydrophobicContact CE3-CD2 3.56Å; W415-L436 HydrophobicContact CG-CD1 4.15Å; W415-L436 HydrophobicContact CH2-CD2 4.04Å; W415-L436 HydrophobicContact CZ2-CD2 4.29Å; W415-L436 HydrophobicContact CZ3-CD2 3.66Å; A430-L436 HydrophobicContact CB-CD1 4.43Å; T431-L436 VanDerWaalsContact CA-O 3.25Å; T431-L436 WeakPolarHBondContact CA-O 3.3Å; T431-L436 VanDerWaalsContact CB-O 3.31Å; T431-L436 WeakPolarHBondContact CB-O 3.33Å; T431-L436 PolarHBondContact OG1-O 3.3Å; L434-L436 HydrophobicContact CB-CD1 4.01Å; L434-L436 HydrophobicContact CB-CG 3.94Å; L434-L436 HydrophobicContact CD1-CD1 3.93Å; L436-F440 HydrophobicContact CB-CD1 4.39Å; L436-F440 HydrophobicContact CD1-CD1 4.3Å; L436-F440 HydrophobicContact CD1-CE1 4.28Å; L436-F441 HydrophobicContact CB-CE2 4.16Å; L436-F441 HydrophobicContact CD1-CE2 4.23Å; L436-F441 HydrophobicContact CD1-CZ 3.81Å; L436-A470 HydrophobicContact CD2-CB 3.84Å | ||
| 437 | S | 75.2 | Confident | 77.3 | Confident | 21 Ų | 21 | 50.6 Ų | 50.6 | 15% | 0.147 | 24% | 0.242 | C | C | . | . | trans | -53.9 | 147.9 | 172.2 | -176.7 | 0 | 0 | 0 | 0 | 112.9 | G439 F440 E473 P774 | S437-G439 PolarHBondContact O-N 3.5Å; S437-G439 PolarHBondContact OG-N 3.29Å; S437-F440 VanDerWaalsContact O-CB 3.25Å; S437-F440 WeakPolarHBondContact O-CB 3.44Å; S437-F440 PolarHBondContact O-N 3.41Å; S437-F440 VanDerWaalsContact O-N 3.13Å; S437-E473 PolarHBondContact N-OE2 2.82Å; S437-P774 VanDerWaalsContact CA-CD 3.45Å; S437-P774 WeakPolarHBondContact OG-CD 3.35Å; S437-P774 VanDerWaalsContact OG-CG 3.23Å; S437-P774 WeakPolarHBondContact OG-CG 3.41Å | ||
| 438 | K | 71 | Confident | 77.4 | Confident | 131 Ų | 131 | 54.9 Ų | 54.9 | 57% | 0.57 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -58.2 | -40.6 | 167.8 | -173 | -172.9 | 174.8 | -168.7 | 0 | 110 | V427 F440 | V427-K438 HydrophobicContact CG1-CB 4.23Å; V427-K438 HydrophobicContact CG1-CG 3.91Å; K438-F440 PolarHBondContact O-N 3.19Å |
| 439 | G | 76.7 | Confident | 77.7 | Confident | 29 Ų | 29 | 49.5 Ų | 49.5 | 30% | 0.299 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67.1 | -17.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | S437 F441 D442 V443 | S437-G439 PolarHBondContact O-N 3.5Å; S437-G439 PolarHBondContact OG-N 3.29Å; G439-F441 PolarHBondContact O-N 3.39Å; G439-D442 PolarHBondContact O-N 2.9Å; G439-V443 WeakPolarHBondContact O-CG2 3.28Å; G439-V443 PolarHBondContact O-N 3.17Å |
| 440 | F | 85 | Confident | 77.6 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.5 | -47.1 | 177.4 | 171.6 | -96.3 | 0 | 0 | 0 | 111.5 | W415 Y416 L436 S437 K438 D442 V443 C444 V466 I467 A470 | W415-F440 HydrophobicContact CE3-CZ 4.42Å; Y416-F440 HydrophobicContact CE2-CE1 4.11Å; Y416-F440 HydrophobicContact CE2-CZ 4.16Å; L436-F440 HydrophobicContact CB-CD1 4.39Å; L436-F440 HydrophobicContact CD1-CD1 4.3Å; L436-F440 HydrophobicContact CD1-CE1 4.28Å; S437-F440 VanDerWaalsContact O-CB 3.25Å; S437-F440 WeakPolarHBondContact O-CB 3.44Å; S437-F440 PolarHBondContact O-N 3.41Å; S437-F440 VanDerWaalsContact O-N 3.13Å; K438-F440 PolarHBondContact O-N 3.19Å; F440-D442 VanDerWaalsContact C-N 3.33Å; F440-V443 PolarHBondContact O-N 3.39Å; F440-C444 HydrophobicContact CE1-CB 4.4Å; F440-C444 HydrophobicContact CE2-CB 4.22Å; F440-C444 HydrophobicContact CZ-CB 4.1Å; F440-C444 WeakPolarHBondContact O-CB 3.25Å; F440-C444 PolarHBondContact O-N 2.84Å; F440-V466 HydrophobicContact CB-CG1 4.45Å; F440-V466 HydrophobicContact CD2-CG1 4.01Å; F440-I467 HydrophobicContact CE2-CG1 4.29Å; F440-A470 HydrophobicContact CD2-CB 3.53Å; F440-A470 HydrophobicContact CE2-CB 3.9Å; F440-A470 HydrophobicContact CG-CB 4.3Å |
| 441 | F | 83.2 | Confident | 77.9 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -75.2 | -24.2 | -178.5 | -64.2 | -77.9 | 0 | 0 | 0 | 112.9 | Y416 F419 V427 A430 L436 G439 V443 G445 Y446 | Y416-F441 HydrophobicContact CE1-CD1 4.49Å; Y416-F441 HydrophobicContact CE1-CE1 4.39Å; F419-F441 AromaticContact CD1-CE1 3.93Å; F419-F441 HydrophobicContact CD1-CE1 3.93Å; F419-F441 HydrophobicContact CD1-CZ 4.36Å; F419-F441 HydrophobicContact CD2-CE1 4.27Å; F419-F441 AromaticContact CD2-CZ 3.89Å; F419-F441 HydrophobicContact CD2-CZ 3.89Å; F419-F441 HydrophobicContact CE1-CD1 4.29Å; F419-F441 HydrophobicContact CE1-CE1 4.01Å; F419-F441 HydrophobicContact CE2-CE1 4.32Å; F419-F441 HydrophobicContact CE2-CE2 4.31Å; F419-F441 HydrophobicContact CE2-CZ 4.03Å; F419-F441 HydrophobicContact CG-CE1 4.04Å; F419-F441 HydrophobicContact CG-CZ 4.02Å; F419-F441 HydrophobicContact CZ-CD1 4.38Å; F419-F441 HydrophobicContact CZ-CE1 4.18Å; F419-F441 HydrophobicContact CZ-CZ 4.33Å; V427-F441 HydrophobicContact CG1-CD2 3.87Å; V427-F441 HydrophobicContact CG1-CE2 4.35Å; V427-F441 HydrophobicContact CG2-CD2 4.42Å; A430-F441 HydrophobicContact CB-CE2 3.55Å; A430-F441 HydrophobicContact CB-CZ 3.7Å; L436-F441 HydrophobicContact CB-CE2 4.16Å; L436-F441 HydrophobicContact CD1-CE2 4.23Å; L436-F441 HydrophobicContact CD1-CZ 3.81Å; G439-F441 PolarHBondContact O-N 3.39Å; F441-V443 VanDerWaalsContact C-N 3.26Å; F441-V443 PolarHBondContact O-N 3.01Å; F441-G445 CarbonylContact O-C 3.59Å; F441-G445 WeakPolarHBondContact O-CA 3.43Å; F441-G445 PolarHBondContact O-N 3.32Å; F441-Y446 HydrophobicContact CB-CD1 3.79Å; F441-Y446 HydrophobicContact CB-CD2 4.48Å; F441-Y446 HydrophobicContact CB-CE1 3.48Å; F441-Y446 VanDerWaalsContact CB-CE1 3.48Å; F441-Y446 HydrophobicContact CB-CE2 4.18Å; F441-Y446 HydrophobicContact CB-CG 4.29Å; F441-Y446 HydrophobicContact CG-CD1 4.37Å; F441-Y446 HydrophobicContact CG-CE1 4.28Å; F441-Y446 WeakPolarHBondContact O-CD2 3.29Å; F441-Y446 VanDerWaalsContact O-CE2 3.31Å; F441-Y446 WeakPolarHBondContact O-CE2 3.47Å |
| 442 | D | 81.9 | Confident | 78 | Confident | 99 Ų | 99 | 52.1 Ų | 52.1 | 53% | 0.529 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.4 | -29.6 | 173.9 | -64.8 | -31.5 | 0 | 0 | 0 | 111.5 | G439 F440 Y446 | G439-D442 PolarHBondContact O-N 2.9Å; F440-D442 VanDerWaalsContact C-N 3.33Å; D442-Y446 PolarHBondContact OD1-OH 3.25Å |
| 443 | V | 83.2 | Confident | 78.4 | Confident | 33 Ų | 33 | 53.9 Ų | 53.9 | 20% | 0.2 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -100.1 | -44.1 | -175.1 | 177.9 | 0 | 0 | 0 | 0 | 113.1 | G439 F440 F441 Y462 Q463 V466 | G439-V443 WeakPolarHBondContact O-CG2 3.28Å; G439-V443 PolarHBondContact O-N 3.17Å; F440-V443 PolarHBondContact O-N 3.39Å; F441-V443 VanDerWaalsContact C-N 3.26Å; F441-V443 PolarHBondContact O-N 3.01Å; V443-Y462 HydrophobicContact CB-CE1 4.19Å; V443-Y462 HydrophobicContact CG1-CD1 3.62Å; V443-Y462 HydrophobicContact CG1-CE1 3.72Å; V443-Y462 HydrophobicContact CG2-CD1 4.14Å; V443-Y462 HydrophobicContact CG2-CE1 3.34Å; V443-Q463 HydrophobicContact CG1-CG 3.82Å; V443-Q463 PolarHBondContact O-NE2 3.29Å; V443-V466 HydrophobicContact CB-CG1 4.35Å; V443-V466 HydrophobicContact CG1-CB 4.4Å; V443-V466 HydrophobicContact CG1-CG1 4.49Å; V443-V466 HydrophobicContact CG1-CG2 4.27Å |
| 444 | C | 82.6 | Confident | 78.9 | Confident | 11 Ų | 11 | 52.7 Ų | 52.7 | 7% | 0.074 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -86.2 | -13.4 | 179.5 | -64.5 | 0 | 0 | 0 | 0 | 112.8 | Y416 F440 P450 | Y416-C444 WeakPolarHBondContact OH-CB 3.25Å; F440-C444 HydrophobicContact CE1-CB 4.4Å; F440-C444 HydrophobicContact CE2-CB 4.22Å; F440-C444 HydrophobicContact CZ-CB 4.1Å; F440-C444 WeakPolarHBondContact O-CB 3.25Å; F440-C444 PolarHBondContact O-N 2.84Å; C444-P450 HydrophobicContact CB-CG 4.17Å |
| 445 | G | 81.7 | Confident | 79.4 | Confident | 26 Ų | 26 | 57.2 Ų | 57.2 | 27% | 0.268 | 29% | 0.291 | S | S | . | . | trans | 85.9 | 160.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | Y416 F441 | Y416-G445 WeakPolarHBondContact CE1-O 3.31Å; Y416-G445 PolarHBondContact OH-O 3.36Å; F441-G445 CarbonylContact O-C 3.59Å; F441-G445 WeakPolarHBondContact O-CA 3.43Å; F441-G445 PolarHBondContact O-N 3.32Å | ||
| 446 | Y | 78.6 | Confident | 80.1 | Confident | 88 Ų | 88 | 57.2 Ų | 57.2 | 35% | 0.345 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -91.7 | -24 | -172.8 | -69.1 | -92.4 | 0 | 0 | 0 | 114.3 | F419 W420 V427 F441 D442 | F419-Y446 HydrophobicContact CZ-CD1 4.44Å; W420-Y446 VanDerWaalsContact CZ2-O 3.27Å; W420-Y446 WeakPolarHBondContact CZ2-O 3.37Å; W420-Y446 PolarHBondContact NE1-O 3.35Å; V427-Y446 HydrophobicContact CG2-CD1 4.42Å; V427-Y446 HydrophobicContact CG2-CE1 3.57Å; F441-Y446 HydrophobicContact CB-CD1 3.79Å; F441-Y446 HydrophobicContact CB-CD2 4.48Å; F441-Y446 HydrophobicContact CB-CE1 3.48Å; F441-Y446 VanDerWaalsContact CB-CE1 3.48Å; F441-Y446 HydrophobicContact CB-CE2 4.18Å; F441-Y446 HydrophobicContact CB-CG 4.29Å; F441-Y446 HydrophobicContact CG-CD1 4.37Å; F441-Y446 HydrophobicContact CG-CE1 4.28Å; F441-Y446 WeakPolarHBondContact O-CD2 3.29Å; F441-Y446 VanDerWaalsContact O-CE2 3.31Å; F441-Y446 WeakPolarHBondContact O-CE2 3.47Å; D442-Y446 PolarHBondContact OD1-OH 3.25Å |
| 447 | K | 72.7 | Confident | 80.2 | Confident | 175 Ų | 175 | 60.6 Ų | 60.6 | 76% | 0.761 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -93.8 | -55 | -164.9 | -63.7 | -176.7 | 179.3 | 179 | 0 | 113.7 | ||
| 448 | L | 77.5 | Confident | 80.5 | Confident | 115 Ų | 115 | 64.4 Ų | 64.4 | 60% | 0.602 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -122.1 | 154.1 | -176 | -80.3 | 96.5 | 0 | 0 | 0 | 111.2 | ||
| 449 | N | 81.9 | Confident | 81.1 | Confident | 7 Ų | 7 | 58.6 Ų | 58.6 | 4% | 0.037 | 30% | 0.297 | C | S | . | . | trans | -65.8 | 128 | 169.3 | 167.1 | 14.1 | 0 | 0 | 0 | 109.3 | S409 I412 D413 Y416 L451 T452 | S409-N449 PolarHBondContact O-ND2 3.02Å; I412-N449 HydrophobicContact CG2-CB 4.13Å; I412-N449 VanDerWaalsContact CG2-CG 3.48Å; I412-N449 WeakPolarHBondContact CG2-OD1 3.45Å; D413-N449 WeakPolarHBondContact OD1-CB 3.33Å; D413-N449 PolarHBondContact OD1-ND2 3.49Å; Y416-N449 HydrophobicContact CD2-CB 3.96Å; Y416-N449 HydrophobicContact CE2-CB 4.26Å; Y416-N449 HydrophobicContact CG-CB 4.45Å; N449-L451 PolarHBondContact O-N 3.11Å; N449-L451 PolarHBondContact OD1-N 3.15Å; N449-T452 HydrophobicContact CB-CG2 3.88Å; N449-T452 PolarHBondContact O-N 3.1Å; N449-T452 PolarHBondContact O-OG1 3.02Å | ||
| 450 | P | 80.4 | Confident | 81.5 | Confident | 21 Ų | 21 | 59.9 Ų | 59.9 | 14% | 0.136 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -24.9 | 179.4 | 24.4 | -35.5 | 0 | 0 | 0 | 114 | C444 T452 L459 I467 | C444-P450 HydrophobicContact CB-CG 4.17Å; P450-T452 VanDerWaalsContact C-N 3.34Å; P450-T452 PolarHBondContact O-N 3.2Å; P450-L459 HydrophobicContact CB-CD1 4.27Å; P450-L459 HydrophobicContact CB-CD2 4.04Å; P450-I467 HydrophobicContact CG-CD1 4.18Å |
| 451 | L | 83.1 | Confident | 81.4 | Confident | 15 Ų | 15 | 60.7 Ų | 60.7 | 8% | 0.079 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 6.9 | -177.9 | -64.2 | 177.9 | 0 | 0 | 0 | 114.7 | L408 I412 N449 K454 F456 L459 | L408-L451 HydrophobicContact CB-CD1 4.41Å; L408-L451 HydrophobicContact CD2-CD1 3.8Å; L408-L451 HydrophobicContact CG-CD1 3.77Å; I412-L451 HydrophobicContact CD1-CD1 3.62Å; I412-L451 HydrophobicContact CD1-CG 4.31Å; N449-L451 PolarHBondContact O-N 3.11Å; N449-L451 PolarHBondContact OD1-N 3.15Å; L451-K454 CarbonylContact C-O 3.51Å; L451-K454 WeakPolarHBondContact CA-O 3.43Å; L451-F456 HydrophobicContact CD2-CB 4.01Å; L451-F456 HydrophobicContact CD2-CD2 4.49Å; L451-L459 HydrophobicContact CD2-CD1 3.57Å; L451-L459 HydrophobicContact CD2-CG 4.31Å; L451-L459 HydrophobicContact CG-CD1 4.36Å |
| 452 | T | 76.6 | Confident | 81.5 | Confident | 69 Ų | 69 | 65 Ų | 65 | 42% | 0.423 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -40.9 | 178.5 | 59.8 | 0 | 0 | 0 | 0 | 112.2 | N449 P450 | N449-T452 HydrophobicContact CB-CG2 3.88Å; N449-T452 PolarHBondContact O-N 3.1Å; N449-T452 PolarHBondContact O-OG1 3.02Å; P450-T452 VanDerWaalsContact C-N 3.34Å; P450-T452 PolarHBondContact O-N 3.2Å |
| 453 | N | 77.2 | Confident | 81.8 | Confident | 137 Ų | 137 | 62.5 Ų | 62.5 | 73% | 0.733 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | -14.9 | -173.6 | -60 | -1 | 0 | 0 | 0 | 112.3 | ||
| 454 | K | 84.8 | Confident | 82.1 | Confident | 112 Ų | 112 | 61.2 Ų | 61.2 | 49% | 0.487 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -131.3 | 142.8 | -175.6 | -65.8 | -172.7 | 177.8 | -170.1 | 0 | 110.2 | L451 E458 L459 | L451-K454 CarbonylContact C-O 3.51Å; L451-K454 WeakPolarHBondContact CA-O 3.43Å; K454-E458 VanDerWaalsContact CA-OE2 3.24Å; K454-E458 WeakPolarHBondContact CA-OE2 3.35Å; K454-E458 HydrophobicContact CB-CB 4.18Å; K454-L459 HydrophobicContact CB-CD2 3.92Å; K454-L459 HydrophobicContact CD-CD2 4.17Å |
| 455 | R | 84.2 | Confident | 82.3 | Confident | 110 Ų | 110 | 60.7 Ų | 60.7 | 42% | 0.415 | 30% | 0.3 | S | S | . | . | trans | -71 | 160 | 169.4 | -65.7 | -68.7 | -160.9 | 143.2 | 9.9 | 110.2 | D402 E405 H457 E458 L459 | D402-R455 IonicContact OD1-NH1 2.7Å; D402-R455 PolarHBondContact OD1-NH1 3.49Å; E405-R455 WeakPolarHBondContact OE1-CA 3.36Å; E405-R455 VanDerWaalsContact OE1-CB 3.32Å; E405-R455 WeakPolarHBondContact OE1-CB 3.24Å; E405-R455 WeakPolarHBondContact OE1-CD 3.36Å; E405-R455 WeakPolarHBondContact OE2-CD 3.33Å; E405-R455 IonicContact OE2-CZ 3.74Å; E405-R455 IonicContact OE2-NE 3.97Å; E405-R455 IonicContact OE2-NH1 3.55Å; E405-R455 PolarHBondContact OE2-NH1 3.29Å; R455-H457 VanDerWaalsContact C-N 3.27Å; R455-H457 VanDerWaalsContact CB-CE1 3.4Å; R455-H457 WeakPolarHBondContact CB-CE1 3.48Å; R455-H457 PolarHBondContact O-N 3.47Å; R455-E458 HydrophobicContact CB-CG 4.06Å; R455-E458 PolarHBondContact N-OE2 3.37Å; R455-E458 WeakPolarHBondContact O-CB 3.41Å; R455-E458 PolarHBondContact O-N 3.37Å; R455-L459 PolarHBondContact O-N 3.18Å | ||
| 456 | F | 85.1 | Confident | 82.5 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -56.6 | -42.2 | -179.8 | 176.9 | -93.9 | 0 | 0 | 0 | 111.9 | L323 P327 L333 W404 E405 L408 L451 E458 L459 Q464 I467 I468 | L323-F456 HydrophobicContact CD2-CE1 4.4Å; L323-F456 HydrophobicContact CD2-CZ 4.42Å; P327-F456 HydrophobicContact CB-CD1 4.19Å; P327-F456 HydrophobicContact CB-CE1 4.09Å; P327-F456 HydrophobicContact CG-CD1 4.42Å; L333-F456 HydrophobicContact CD2-CE1 4.29Å; W404-F456 HydrophobicContact CH2-CB 4.33Å; W404-F456 AromaticContact CH2-CD1 3.62Å; W404-F456 HydrophobicContact CH2-CD1 3.62Å; W404-F456 HydrophobicContact CH2-CD2 4.32Å; W404-F456 AromaticContact CH2-CE1 3.93Å; W404-F456 HydrophobicContact CH2-CE1 3.93Å; W404-F456 AromaticContact CH2-CG 3.83Å; W404-F456 HydrophobicContact CH2-CG 3.83Å; W404-F456 HydrophobicContact CH2-CZ 4.4Å; W404-F456 HydrophobicContact CZ2-CD1 4.46Å; W404-F456 HydrophobicContact CZ3-CD1 4.5Å; W404-F456 HydrophobicContact CZ3-CD2 4.47Å; W404-F456 HydrophobicContact CZ3-CG 4.29Å; E405-F456 HydrophobicContact CG-CB 4.31Å; E405-F456 PolarHBondContact OE1-N 2.93Å; L408-F456 HydrophobicContact CD2-CD2 3.81Å; L408-F456 HydrophobicContact CD2-CE2 4.16Å; L451-F456 HydrophobicContact CD2-CB 4.01Å; L451-F456 HydrophobicContact CD2-CD2 4.49Å; F456-E458 VanDerWaalsContact C-N 3.27Å; F456-E458 PolarHBondContact O-N 3.02Å; F456-L459 WeakPolarHBondContact O-CB 3.08Å; F456-L459 PolarHBondContact O-N 3.01Å; F456-Q464 HydrophobicContact CD1-CG 4.4Å; F456-Q464 HydrophobicContact CD2-CG 4.46Å; F456-Q464 HydrophobicContact CE1-CB 4.16Å; F456-Q464 HydrophobicContact CE1-CG 4.01Å; F456-Q464 HydrophobicContact CE2-CB 3.96Å; F456-Q464 HydrophobicContact CE2-CG 4.07Å; F456-Q464 HydrophobicContact CZ-CB 3.59Å; F456-Q464 HydrophobicContact CZ-CG 3.83Å; F456-Q464 WeakPolarHBondContact O-CG 3.49Å; F456-Q464 PolarHBondContact O-NE2 2.93Å; F456-I467 HydrophobicContact CE2-CG2 4.44Å; F456-I468 HydrophobicContact CZ-CD1 4.03Å; F456-I468 HydrophobicContact CZ-CG1 4.27Å |
| 457 | H | 80.9 | Confident | 83 | Confident | 71 Ų | 71 | 55.6 Ų | 55.6 | 33% | 0.329 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -69.9 | -18.1 | 177.2 | 65.7 | -95.5 | 0 | 0 | 0 | 114.8 | P327 Q328 Y401 R455 | P327-H457 HydrophobicContact CG-CB 3.52Å; Q328-H457 PolarHBondContact NE2-CD2 3.36Å; Q328-H457 PolarHBondContact NE2-ND1 3.44Å; Y401-H457 AromaticContact CZ-ND1 3.8Å; Y401-H457 PolarHBondContact OH-N 3.28Å; Y401-H457 PolarHBondContact OH-ND1 3.27Å; R455-H457 VanDerWaalsContact C-N 3.27Å; R455-H457 VanDerWaalsContact CB-CE1 3.4Å; R455-H457 WeakPolarHBondContact CB-CE1 3.48Å; R455-H457 PolarHBondContact O-N 3.47Å |
| 458 | E | 82.3 | Confident | 83.8 | Confident | 101 Ų | 101 | 47.5 Ų | 47.5 | 47% | 0.472 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -87.4 | -9.8 | 176.7 | -64 | 171 | 173.6 | 0 | 0 | 112.6 | K454 R455 F456 | K454-E458 VanDerWaalsContact CA-OE2 3.24Å; K454-E458 WeakPolarHBondContact CA-OE2 3.35Å; K454-E458 HydrophobicContact CB-CB 4.18Å; R455-E458 HydrophobicContact CB-CG 4.06Å; R455-E458 PolarHBondContact N-OE2 3.37Å; R455-E458 WeakPolarHBondContact O-CB 3.41Å; R455-E458 PolarHBondContact O-N 3.37Å; F456-E458 VanDerWaalsContact C-N 3.27Å; F456-E458 PolarHBondContact O-N 3.02Å |
| 459 | L | 84 | Confident | 84.2 | Confident | 9 Ų | 9 | 42.7 Ų | 42.7 | 5% | 0.047 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -74.9 | 155.3 | 174 | -61.8 | -178.9 | 0 | 0 | 0 | 111 | P450 L451 K454 R455 F456 Q463 Q464 I467 | P450-L459 HydrophobicContact CB-CD1 4.27Å; P450-L459 HydrophobicContact CB-CD2 4.04Å; L451-L459 HydrophobicContact CD2-CD1 3.57Å; L451-L459 HydrophobicContact CD2-CG 4.31Å; L451-L459 HydrophobicContact CG-CD1 4.36Å; K454-L459 HydrophobicContact CB-CD2 3.92Å; K454-L459 HydrophobicContact CD-CD2 4.17Å; R455-L459 PolarHBondContact O-N 3.18Å; F456-L459 WeakPolarHBondContact O-CB 3.08Å; F456-L459 PolarHBondContact O-N 3.01Å; L459-Q463 HydrophobicContact CB-CB 4.3Å; L459-Q464 HydrophobicContact CB-CG 4.08Å; L459-Q464 PolarHBondContact O-NE2 3.49Å; L459-Q464 VanDerWaalsContact O-NE2 3.15Å; L459-I467 HydrophobicContact CD1-CD1 3.59Å |
| 460 | A | 85 | Confident | 84.3 | Confident | 56 Ų | 56 | 42.4 Ų | 42.4 | 46% | 0.463 | 21% | 0.21 | S | C | . | . | trans | -61.3 | 143.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y462 Q463 Q464 | A460-Y462 PolarHBondContact O-N 2.96Å; A460-Y462 VanDerWaalsContact O-N 3.16Å; A460-Q463 HydrophobicContact CB-CG 4.17Å; A460-Q463 WeakPolarHBondContact O-CA 3.23Å; A460-Q463 VanDerWaalsContact O-CB 3.29Å; A460-Q463 WeakPolarHBondContact O-CB 3.32Å; A460-Q463 PolarHBondContact O-N 3.42Å; A460-Q464 PolarHBondContact O-N 3.38Å | ||
| 461 | I | 83.3 | Confident | 84.7 | Confident | 18 Ų | 18 | 41.4 Ų | 41.4 | 9% | 0.092 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -54.3 | -40.6 | -178.4 | -69.2 | 176.4 | 0 | 0 | 0 | 112.2 | L253 I257 I260 Q463 Q464 V465 | L253-I461 HydrophobicContact CB-CD1 3.46Å; L253-I461 VanDerWaalsContact CB-CD1 3.46Å; L253-I461 HydrophobicContact CD1-CD1 4.09Å; L253-I461 HydrophobicContact CD2-CD1 3.25Å; L253-I461 HydrophobicContact CD2-CG1 4.21Å; L253-I461 HydrophobicContact CG-CD1 3.72Å; I257-I461 HydrophobicContact CD1-CG2 3.69Å; I257-I461 HydrophobicContact CG1-CD1 4.43Å; I257-I461 HydrophobicContact CG1-CG2 3.41Å; I257-I461 VanDerWaalsContact CG1-CG2 3.41Å; I260-I461 HydrophobicContact CD1-CG2 4.07Å; I461-Q463 VanDerWaalsContact C-N 3.3Å; I461-Q463 PolarHBondContact O-N 2.84Å; I461-Q464 WeakPolarHBondContact O-CB 3.33Å; I461-Q464 PolarHBondContact O-N 3.38Å; I461-V465 HydrophobicContact CG2-CG2 4.42Å; I461-V465 WeakPolarHBondContact O-CG2 3.47Å; I461-V465 PolarHBondContact O-N 3.22Å |
| 462 | Y | 84.4 | Confident | 84.7 | Confident | 91 Ų | 91 | 41 Ų | 41 | 36% | 0.357 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.3 | -39.1 | 175.8 | -174.7 | -122.2 | 0 | 0 | 0 | 112.2 | I260 E262 V443 A460 V465 V466 | I260-Y462 HydrophobicContact CD1-CD2 4.12Å; I260-Y462 HydrophobicContact CG1-CD2 4.14Å; I260-Y462 HydrophobicContact CG2-CD2 3.88Å; I260-Y462 HydrophobicContact CG2-CE2 4.05Å; E262-Y462 PolarHBondContact OE1-OH 3.43Å; V443-Y462 HydrophobicContact CB-CE1 4.19Å; V443-Y462 HydrophobicContact CG1-CD1 3.62Å; V443-Y462 HydrophobicContact CG1-CE1 3.72Å; V443-Y462 HydrophobicContact CG2-CD1 4.14Å; V443-Y462 HydrophobicContact CG2-CE1 3.34Å; A460-Y462 PolarHBondContact O-N 2.96Å; A460-Y462 VanDerWaalsContact O-N 3.16Å; Y462-V465 PolarHBondContact O-N 2.65Å; Y462-V466 HydrophobicContact CD2-CG2 4.19Å; Y462-V466 HydrophobicContact CE1-CG2 4.19Å; Y462-V466 HydrophobicContact CE2-CG2 3.8Å; Y462-V466 WeakPolarHBondContact O-CB 3.42Å; Y462-V466 VanDerWaalsContact O-CG2 3.22Å; Y462-V466 WeakPolarHBondContact O-CG2 3.46Å; Y462-V466 PolarHBondContact O-N 3.24Å |
| 463 | Q | 88.1 | Confident | 85 | Confident | 48 Ų | 48 | 37.8 Ų | 37.8 | 22% | 0.224 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.3 | -42.2 | 173.9 | -63.9 | 179.4 | -45.6 | 0 | 0 | 111.4 | V443 L459 A460 I461 V466 I467 | V443-Q463 HydrophobicContact CG1-CG 3.82Å; V443-Q463 PolarHBondContact O-NE2 3.29Å; L459-Q463 HydrophobicContact CB-CB 4.3Å; A460-Q463 HydrophobicContact CB-CG 4.17Å; A460-Q463 WeakPolarHBondContact O-CA 3.23Å; A460-Q463 VanDerWaalsContact O-CB 3.29Å; A460-Q463 WeakPolarHBondContact O-CB 3.32Å; A460-Q463 PolarHBondContact O-N 3.42Å; I461-Q463 VanDerWaalsContact C-N 3.3Å; I461-Q463 PolarHBondContact O-N 2.84Å; Q463-V466 PolarHBondContact O-N 3.46Å; Q463-I467 WeakPolarHBondContact O-CB 3.49Å; Q463-I467 WeakPolarHBondContact O-CD1 3.38Å; Q463-I467 WeakPolarHBondContact O-CG1 3.42Å; Q463-I467 PolarHBondContact O-N 3.47Å |
| 464 | Q | 89.6 | Confident | 85.2 | Confident | 6 Ų | 6 | 31.4 Ų | 31.4 | 3% | 0.028 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.9 | -49.6 | 175.8 | -66.2 | 174.5 | 0.7 | 0 | 0 | 111.5 | F456 L459 A460 I461 I467 I468 | F456-Q464 HydrophobicContact CD1-CG 4.4Å; F456-Q464 HydrophobicContact CD2-CG 4.46Å; F456-Q464 HydrophobicContact CE1-CB 4.16Å; F456-Q464 HydrophobicContact CE1-CG 4.01Å; F456-Q464 HydrophobicContact CE2-CB 3.96Å; F456-Q464 HydrophobicContact CE2-CG 4.07Å; F456-Q464 HydrophobicContact CZ-CB 3.59Å; F456-Q464 HydrophobicContact CZ-CG 3.83Å; F456-Q464 WeakPolarHBondContact O-CG 3.49Å; F456-Q464 PolarHBondContact O-NE2 2.93Å; L459-Q464 HydrophobicContact CB-CG 4.08Å; L459-Q464 PolarHBondContact O-NE2 3.49Å; L459-Q464 VanDerWaalsContact O-NE2 3.15Å; A460-Q464 PolarHBondContact O-N 3.38Å; I461-Q464 WeakPolarHBondContact O-CB 3.33Å; I461-Q464 PolarHBondContact O-N 3.38Å; Q464-I467 PolarHBondContact O-N 3.31Å; Q464-I468 WeakPolarHBondContact O-CG1 3.31Å; Q464-I468 PolarHBondContact O-N 2.95Å |
| 465 | V | 87.4 | Confident | 85.1 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.5 | -45.5 | 178.7 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | I260 E262 L263 L323 I461 Y462 I467 I468 Y469 | I260-V465 HydrophobicContact CD1-CG2 4.42Å; I260-V465 HydrophobicContact CG2-CB 4.38Å; I260-V465 HydrophobicContact CG2-CG1 3.88Å; E262-V465 HydrophobicContact CB-CG1 3.99Å; L263-V465 HydrophobicContact CB-CG1 3.86Å; L263-V465 HydrophobicContact CB-CG2 4.41Å; L263-V465 HydrophobicContact CD1-CG1 4.41Å; L263-V465 HydrophobicContact CD1-CG2 4.29Å; L323-V465 HydrophobicContact CD1-CG2 4.1Å; I461-V465 HydrophobicContact CG2-CG2 4.42Å; I461-V465 WeakPolarHBondContact O-CG2 3.47Å; I461-V465 PolarHBondContact O-N 3.22Å; Y462-V465 PolarHBondContact O-N 2.65Å; V465-I467 VanDerWaalsContact C-N 3.29Å; V465-I467 PolarHBondContact O-N 3.08Å; V465-I468 PolarHBondContact O-N 3.08Å; V465-Y469 WeakPolarHBondContact O-CB 3.5Å; V465-Y469 PolarHBondContact O-N 2.97Å |
| 466 | V | 86.4 | Confident | 84.5 | Confident | 6 Ų | 6 | 21.8 Ų | 21.8 | 4% | 0.036 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.9 | -34.6 | 179.1 | 169.1 | 0 | 0 | 0 | 0 | 111.8 | F440 V443 Y462 Q463 A470 | F440-V466 HydrophobicContact CB-CG1 4.45Å; F440-V466 HydrophobicContact CD2-CG1 4.01Å; V443-V466 HydrophobicContact CB-CG1 4.35Å; V443-V466 HydrophobicContact CG1-CB 4.4Å; V443-V466 HydrophobicContact CG1-CG1 4.49Å; V443-V466 HydrophobicContact CG1-CG2 4.27Å; Y462-V466 HydrophobicContact CD2-CG2 4.19Å; Y462-V466 HydrophobicContact CE1-CG2 4.19Å; Y462-V466 HydrophobicContact CE2-CG2 3.8Å; Y462-V466 WeakPolarHBondContact O-CB 3.42Å; Y462-V466 VanDerWaalsContact O-CG2 3.22Å; Y462-V466 WeakPolarHBondContact O-CG2 3.46Å; Y462-V466 PolarHBondContact O-N 3.24Å; Q463-V466 PolarHBondContact O-N 3.46Å; V466-A470 VanDerWaalsContact O-CB 3.29Å; V466-A470 WeakPolarHBondContact O-CB 3.46Å; V466-A470 PolarHBondContact O-N 3.3Å |
| 467 | I | 89 | Confident | 84 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.9 | -45.7 | 173.7 | -72 | 165.5 | 0 | 0 | 0 | 111 | L408 I412 F440 P450 F456 L459 Q463 Q464 V465 Y469 A470 L471 | L408-I467 HydrophobicContact CD1-CG2 4.05Å; L408-I467 HydrophobicContact CD2-CG2 3.94Å; L408-I467 HydrophobicContact CG-CG2 4.43Å; I412-I467 HydrophobicContact CD1-CD1 4.3Å; I412-I467 HydrophobicContact CD1-CG1 4.29Å; I412-I467 HydrophobicContact CD1-CG2 3.66Å; F440-I467 HydrophobicContact CE2-CG1 4.29Å; P450-I467 HydrophobicContact CG-CD1 4.18Å; F456-I467 HydrophobicContact CE2-CG2 4.44Å; L459-I467 HydrophobicContact CD1-CD1 3.59Å; Q463-I467 WeakPolarHBondContact O-CB 3.49Å; Q463-I467 WeakPolarHBondContact O-CD1 3.38Å; Q463-I467 WeakPolarHBondContact O-CG1 3.42Å; Q463-I467 PolarHBondContact O-N 3.47Å; Q464-I467 PolarHBondContact O-N 3.31Å; V465-I467 VanDerWaalsContact C-N 3.29Å; V465-I467 PolarHBondContact O-N 3.08Å; I467-Y469 VanDerWaalsContact C-N 3.33Å; I467-A470 PolarHBondContact O-N 3.39Å; I467-L471 WeakPolarHBondContact O-CB 3.33Å; I467-L471 PolarHBondContact O-N 3.19Å |
| 468 | I | 88.9 | Confident | 83.7 | Confident | 5 Ų | 5 | 22.8 Ų | 22.8 | 3% | 0.026 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64 | -42.9 | 176.8 | -63.6 | 169.8 | 0 | 0 | 0 | 110.1 | V266 L323 L333 M337 L340 F456 Q464 V465 A470 L471 C472 | V266-I468 HydrophobicContact CG1-CG2 3.55Å; V266-I468 HydrophobicContact CG2-CG2 4.14Å; L323-I468 HydrophobicContact CD1-CD1 4.45Å; L323-I468 HydrophobicContact CD2-CD1 3.68Å; L333-I468 HydrophobicContact CD1-CD1 3.83Å; M337-I468 HydrophobicContact SD-CG1 4.16Å; L340-I468 HydrophobicContact CD1-CG2 4.4Å; F456-I468 HydrophobicContact CZ-CD1 4.03Å; F456-I468 HydrophobicContact CZ-CG1 4.27Å; Q464-I468 WeakPolarHBondContact O-CG1 3.31Å; Q464-I468 PolarHBondContact O-N 2.95Å; V465-I468 PolarHBondContact O-N 3.08Å; I468-A470 PolarHBondContact O-N 3.29Å; I468-L471 CarbonylContact O-C 3.59Å; I468-L471 WeakPolarHBondContact O-CA 2.95Å; I468-L471 WeakPolarHBondContact O-CB 3.4Å; I468-L471 PolarHBondContact O-N 2.88Å; I468-C472 PolarHBondContact O-N 3.47Å; I468-C472 PolarHBondContact O-SG 2.84Å; I468-C472 VanDerWaalsContact O-SG 3.35Å |
| 469 | Y | 84.9 | Confident | 83.5 | Confident | 15 Ų | 15 | 18.8 Ų | 18.8 | 6% | 0.059 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -55.8 | -52.1 | 174.5 | -174.8 | -103.3 | 0 | 0 | 0 | 111.5 | E262 E265 V266 V465 I467 L471 C472 E473 N772 G773 | E262-Y469 HydrophobicContact CB-CD2 4.49Å; E262-Y469 HydrophobicContact CB-CG 4.49Å; E265-Y469 HydrophobicContact CB-CD2 4.28Å; E265-Y469 HydrophobicContact CB-CE2 3.73Å; E265-Y469 HydrophobicContact CG-CE2 4.5Å; E265-Y469 VanDerWaalsContact OE2-CE2 3.29Å; E265-Y469 WeakPolarHBondContact OE2-CE2 3.23Å; E265-Y469 PolarHBondContact OE2-OH 3.42Å; V266-Y469 HydrophobicContact CG2-CD2 3.87Å; V266-Y469 HydrophobicContact CG2-CG 4.36Å; V465-Y469 WeakPolarHBondContact O-CB 3.5Å; V465-Y469 PolarHBondContact O-N 2.97Å; I467-Y469 VanDerWaalsContact C-N 3.33Å; Y469-L471 PolarHBondContact O-N 3.35Å; Y469-C472 WeakPolarHBondContact O-CB 3.49Å; Y469-C472 PolarHBondContact O-N 2.97Å; Y469-C472 VanDerWaalsContact O-N 3.1Å; Y469-E473 HydrophobicContact CD1-CG 4.1Å; Y469-E473 HydrophobicContact CE1-CG 3.81Å; Y469-E473 WeakPolarHBondContact CE1-OE1 3.2Å; Y469-E473 WeakPolarHBondContact O-CG 3.28Å; Y469-E473 PolarHBondContact O-N 3.45Å; Y469-N772 PolarHBondContact OH-O 3.48Å; Y469-G773 WeakPolarHBondContact OH-CA 3.11Å; Y469-G773 PolarHBondContact OH-N 3.4Å |
| 470 | A | 85.6 | Confident | 83.1 | Confident | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.008 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.4 | -32.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | W415 L436 F440 V466 I467 I468 S474 | W415-A470 HydrophobicContact CH2-CB 4.43Å; W415-A470 HydrophobicContact CZ3-CB 4.13Å; L436-A470 HydrophobicContact CD2-CB 3.84Å; F440-A470 HydrophobicContact CD2-CB 3.53Å; F440-A470 HydrophobicContact CE2-CB 3.9Å; F440-A470 HydrophobicContact CG-CB 4.3Å; V466-A470 VanDerWaalsContact O-CB 3.29Å; V466-A470 WeakPolarHBondContact O-CB 3.46Å; V466-A470 PolarHBondContact O-N 3.3Å; I467-A470 PolarHBondContact O-N 3.39Å; I468-A470 PolarHBondContact O-N 3.29Å; A470-S474 VanDerWaalsContact O-CB 3.28Å; A470-S474 WeakPolarHBondContact O-CB 3.42Å; A470-S474 PolarHBondContact O-N 2.92Å |
| 471 | L | 87.1 | Confident | 82.7 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -71.1 | -41.6 | 174.7 | -172.7 | 66.8 | 0 | 0 | 0 | 112.6 | M337 L340 L341 L408 W415 I467 I468 Y469 E473 S474 T475 | M337-L471 HydrophobicContact CE-CD2 3.7Å; M337-L471 HydrophobicContact SD-CD2 3.87Å; L340-L471 HydrophobicContact CB-CD2 3.55Å; L340-L471 HydrophobicContact CB-CG 3.93Å; L340-L471 HydrophobicContact CD1-CD2 3.94Å; L340-L471 HydrophobicContact CD1-CG 4.34Å; L340-L471 HydrophobicContact CG-CD2 4.38Å; L341-L471 HydrophobicContact CD2-CD1 3.84Å; L341-L471 HydrophobicContact CD2-CD2 3.85Å; L341-L471 HydrophobicContact CG-CD2 3.97Å; L408-L471 HydrophobicContact CD1-CD2 4.35Å; W415-L471 HydrophobicContact CH2-CB 4.24Å; W415-L471 HydrophobicContact CH2-CD1 4.01Å; W415-L471 HydrophobicContact CZ2-CD1 4.14Å; I467-L471 WeakPolarHBondContact O-CB 3.33Å; I467-L471 PolarHBondContact O-N 3.19Å; I468-L471 CarbonylContact O-C 3.59Å; I468-L471 WeakPolarHBondContact O-CA 2.95Å; I468-L471 WeakPolarHBondContact O-CB 3.4Å; I468-L471 PolarHBondContact O-N 2.88Å; Y469-L471 PolarHBondContact O-N 3.35Å; L471-E473 VanDerWaalsContact C-N 3.32Å; L471-S474 PolarHBondContact O-N 3.46Å; L471-T475 VanDerWaalsContact O-CB 3.29Å; L471-T475 WeakPolarHBondContact O-CB 3.29Å; L471-T475 PolarHBondContact O-N 3.24Å; L471-T475 PolarHBondContact O-OG1 3.48Å |
| 472 | C | 84.6 | Confident | 82.4 | Confident | 5 Ų | 5 | 21.9 Ų | 21.9 | 3% | 0.034 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58.4 | -46.7 | 171 | -65.5 | 0 | 0 | 0 | 0 | 110.5 | F269 I468 Y469 S474 T475 M476 | F269-C472 HydrophobicContact CD1-CB 3.6Å; F269-C472 VanDerWaalsContact CD1-SG 3.51Å; F269-C472 HydrophobicContact CE1-CB 3.97Å; F269-C472 HydrophobicContact CG-CB 4.12Å; I468-C472 PolarHBondContact O-N 3.47Å; I468-C472 PolarHBondContact O-SG 2.84Å; I468-C472 VanDerWaalsContact O-SG 3.35Å; Y469-C472 WeakPolarHBondContact O-CB 3.49Å; Y469-C472 PolarHBondContact O-N 2.97Å; Y469-C472 VanDerWaalsContact O-N 3.1Å; C472-S474 PolarHBondContact O-N 3.48Å; C472-T475 PolarHBondContact O-N 3.49Å; C472-M476 PolarHBondContact O-N 3.47Å |
| 473 | E | 81.9 | Confident | 82 | Confident | 3 Ų | 3 | 18.7 Ų | 18.7 | 1% | 0.014 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.7 | -45.4 | 178.2 | -67.1 | -154.4 | 127.6 | 0 | 0 | 112.7 | G435 S437 Y469 L471 M476 P774 T775 | G435-E473 WeakPolarHBondContact O-CB 3.15Å; S437-E473 PolarHBondContact N-OE2 2.82Å; Y469-E473 HydrophobicContact CD1-CG 4.1Å; Y469-E473 HydrophobicContact CE1-CG 3.81Å; Y469-E473 WeakPolarHBondContact CE1-OE1 3.2Å; Y469-E473 WeakPolarHBondContact O-CG 3.28Å; Y469-E473 PolarHBondContact O-N 3.45Å; L471-E473 VanDerWaalsContact C-N 3.32Å; E473-M476 PolarHBondContact O-N 3.37Å; E473-P774 WeakPolarHBondContact OE1-CD 3.47Å; E473-P774 VanDerWaalsContact OE1-N 3.08Å; E473-T775 HydrophobicContact CB-CG2 3.47Å; E473-T775 VanDerWaalsContact CB-CG2 3.47Å; E473-T775 HydrophobicContact CG-CG2 3.42Å; E473-T775 VanDerWaalsContact CG-CG2 3.42Å; E473-T775 WeakPolarHBondContact OE1-CB 3.4Å; E473-T775 PolarHBondContact OE1-N 3.34Å; E473-T775 PolarHBondContact OE1-OG1 2.98Å |
| 474 | S | 82.5 | Confident | 81.1 | Confident | 3 Ų | 3 | 19.9 Ų | 19.9 | 2% | 0.021 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -67.7 | -36.1 | 177 | -165.4 | 0 | 0 | 0 | 0 | 112.1 | W415 L434 A470 L471 C472 R477 T478 | W415-S474 VanDerWaalsContact CZ2-CB 3.4Å; W415-S474 WeakPolarHBondContact CZ2-OG 3.41Å; L434-S474 PolarHBondContact O-OG 2.94Å; A470-S474 VanDerWaalsContact O-CB 3.28Å; A470-S474 WeakPolarHBondContact O-CB 3.42Å; A470-S474 PolarHBondContact O-N 2.92Å; L471-S474 PolarHBondContact O-N 3.46Å; C472-S474 PolarHBondContact O-N 3.48Å; S474-R477 PolarHBondContact O-N 2.84Å; S474-T478 WeakPolarHBondContact O-CB 3.47Å; S474-T478 WeakPolarHBondContact O-CG2 3.2Å; S474-T478 PolarHBondContact O-N 2.98Å; S474-T478 PolarHBondContact O-OG1 3.33Å |
| 475 | T | 81.4 | Confident | 80.3 | Confident | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.012 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.6 | -43.6 | 177.6 | -60.4 | 0 | 0 | 0 | 0 | 110.9 | L340 L471 C472 R477 T478 F479 L482 | L340-T475 HydrophobicContact CD2-CG2 4.26Å; L471-T475 VanDerWaalsContact O-CB 3.29Å; L471-T475 WeakPolarHBondContact O-CB 3.29Å; L471-T475 PolarHBondContact O-N 3.24Å; L471-T475 PolarHBondContact O-OG1 3.48Å; C472-T475 PolarHBondContact O-N 3.49Å; T475-R477 PolarHBondContact O-N 2.81Å; T475-R477 VanDerWaalsContact O-N 3.17Å; T475-T478 WeakPolarHBondContact CA-OG1 3.41Å; T475-T478 PolarHBondContact O-N 2.96Å; T475-T478 PolarHBondContact O-OG1 3.32Å; T475-F479 WeakPolarHBondContact O-CB 3.37Å; T475-F479 PolarHBondContact O-N 3.06Å; T475-L482 HydrophobicContact CG2-CD2 4.25Å |
| 476 | M | 72.3 | Confident | 79.5 | Confident | 18 Ų | 18 | 22.7 Ų | 22.7 | 9% | 0.089 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.3 | -24.9 | 177.7 | -84.2 | -56.1 | -54.5 | 0 | 0 | 114.9 | F269 C472 E473 R483 L486 | F269-M476 HydrophobicContact CD2-CG 4.11Å; F269-M476 HydrophobicContact CD2-SD 4.43Å; F269-M476 HydrophobicContact CE2-CG 3.34Å; F269-M476 HydrophobicContact CE2-SD 3.39Å; F269-M476 WeakPolarHBondContact CE2-SD 3.42Å; F269-M476 HydrophobicContact CZ-CG 3.83Å; F269-M476 HydrophobicContact CZ-SD 3.96Å; C472-M476 PolarHBondContact O-N 3.47Å; E473-M476 PolarHBondContact O-N 3.37Å; M476-R483 HydrophobicContact CE-CB 3.47Å; M476-R483 VanDerWaalsContact CE-CB 3.47Å; M476-R483 HydrophobicContact CE-CG 3.49Å; M476-R483 VanDerWaalsContact CE-CG 3.49Å; M476-L486 HydrophobicContact SD-CD2 4.32Å |
| 477 | R | 73.6 | Confident | 78.5 | Confident | 15 Ų | 15 | 26 Ų | 26 | 6% | 0.057 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -85.5 | -48.6 | 169.5 | 176.6 | 74.6 | 93.4 | -164.9 | 17 | 113.4 | R432 S474 T475 F479 F778 | R432-R477 PolarHBondContact O-NH2 3.2Å; S474-R477 PolarHBondContact O-N 2.84Å; T475-R477 PolarHBondContact O-N 2.81Å; T475-R477 VanDerWaalsContact O-N 3.17Å; R477-F479 PolarHBondContact O-N 3.38Å; R477-F778 HydrophobicContact CB-CD1 3.29Å; R477-F778 HydrophobicContact CB-CE1 2.96Å; R477-F778 HydrophobicContact CB-CZ 3.99Å; R477-F778 HydrophobicContact CG-CD1 3.62Å; R477-F778 HydrophobicContact CG-CE1 3Å; R477-F778 HydrophobicContact CG-CZ 3.52Å; R477-F778 VanDerWaalsContact CZ-CD1 3.49Å; R477-F778 VanDerWaalsContact NE-CG 3.26Å; R477-F778 PolarHBondContact NH1-O 3.47Å; R477-F778 VanDerWaalsContact NH2-CA 3.33Å; R477-F778 PolarHBondContact NH2-O 3.04Å |
| 478 | T | 76.3 | Confident | 77.6 | Confident | 77 Ų | 77 | 34.1 Ų | 34.1 | 47% | 0.472 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -69.8 | -26.9 | -169.2 | 51.6 | 0 | 0 | 0 | 0 | 110.8 | S474 T475 | S474-T478 WeakPolarHBondContact O-CB 3.47Å; S474-T478 WeakPolarHBondContact O-CG2 3.2Å; S474-T478 PolarHBondContact O-N 2.98Å; S474-T478 PolarHBondContact O-OG1 3.33Å; T475-T478 WeakPolarHBondContact CA-OG1 3.41Å; T475-T478 PolarHBondContact O-N 2.96Å; T475-T478 PolarHBondContact O-OG1 3.32Å |
| 479 | F | 77.9 | Confident | 76.6 | Confident | 17 Ų | 17 | 36.8 Ų | 36.8 | 8% | 0.075 | 19% | 0.192 | C | C | . | . | trans | -112.4 | 81.4 | -179.7 | -165.9 | -151.9 | 0 | 0 | 0 | 112.7 | R347 V351 T475 R477 N481 L482 R483 | R347-F479 HydrophobicContact CB-CD2 4.42Å; R347-F479 HydrophobicContact CB-CE2 4.05Å; R347-F479 HydrophobicContact CB-CZ 4.22Å; V351-F479 HydrophobicContact CG2-CE2 3.71Å; V351-F479 HydrophobicContact CG2-CZ 3.68Å; T475-F479 WeakPolarHBondContact O-CB 3.37Å; T475-F479 PolarHBondContact O-N 3.06Å; R477-F479 PolarHBondContact O-N 3.38Å; F479-N481 VanDerWaalsContact C-N 3.29Å; F479-N481 HydrophobicContact CD2-CB 4.32Å; F479-N481 HydrophobicContact CE2-CB 3.86Å; F479-N481 HydrophobicContact CZ-CB 4.3Å; F479-N481 PolarHBondContact O-N 2.89Å; F479-L482 HydrophobicContact CB-CB 4.37Å; F479-L482 HydrophobicContact CD1-CB 3.21Å; F479-L482 HydrophobicContact CD1-CD2 3.85Å; F479-L482 HydrophobicContact CD1-CG 4.11Å; F479-L482 HydrophobicContact CE1-CB 3.54Å; F479-L482 HydrophobicContact CE1-CD2 4.45Å; F479-L482 HydrophobicContact CE1-CG 4.45Å; F479-L482 HydrophobicContact CG-CB 3.87Å; F479-L482 HydrophobicContact CZ-CB 4.43Å; F479-L482 PolarHBondContact O-N 3.39Å; F479-R483 PolarHBondContact O-N 3.27Å | ||
| 480 | E | 75.5 | Confident | 75.8 | Confident | 70 Ų | 70 | 36.8 Ų | 36.8 | 33% | 0.327 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.2 | -31.8 | -176.5 | -168.5 | 65.4 | -156.9 | 0 | 0 | 113.3 | L482 R483 L484 | E480-L482 PolarHBondContact O-N 3.13Å; E480-R483 WeakPolarHBondContact O-CB 3.4Å; E480-R483 PolarHBondContact O-N 3.27Å; E480-R483 IonicContact OE1-NH1 3.45Å; E480-R483 IonicContact OE2-NH1 3.92Å; E480-L484 HydrophobicContact CG-CD1 4.17Å; E480-L484 HydrophobicContact CG-CG 4.33Å; E480-L484 WeakPolarHBondContact O-CG 3.36Å; E480-L484 PolarHBondContact O-N 3.44Å |
| 481 | N | 75.7 | Confident | 74.8 | Confident | 74 Ų | 74 | 39.9 Ų | 39.9 | 40% | 0.396 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64.1 | -42.8 | 178.7 | -68.2 | -24.8 | 0 | 0 | 0 | 112.3 | V351 F479 R483 L484 S485 | V351-N481 HydrophobicContact CG2-CB 4.25Å; F479-N481 VanDerWaalsContact C-N 3.29Å; F479-N481 HydrophobicContact CD2-CB 4.32Å; F479-N481 HydrophobicContact CE2-CB 3.86Å; F479-N481 HydrophobicContact CZ-CB 4.3Å; F479-N481 PolarHBondContact O-N 2.89Å; N481-R483 VanDerWaalsContact C-N 3.33Å; N481-L484 PolarHBondContact O-N 3.3Å; N481-S485 WeakPolarHBondContact O-CB 3.28Å; N481-S485 PolarHBondContact O-N 3.4Å; N481-S485 PolarHBondContact O-OG 2.88Å |
| 482 | L | 77.8 | Confident | 73.8 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.016 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.3 | -48.3 | 173.8 | 176.7 | 67.2 | 0 | 0 | 0 | 109.6 | F269 F276 L277 T475 F479 E480 L484 S485 L486 | F269-L482 HydrophobicContact CZ-CD2 4.26Å; F276-L482 HydrophobicContact CB-CD1 3.51Å; F276-L482 HydrophobicContact CD2-CD1 4.44Å; F276-L482 HydrophobicContact CG-CD1 4.16Å; L277-L482 HydrophobicContact CD2-CD1 4.19Å; L277-L482 HydrophobicContact CD2-CD2 4.24Å; L277-L482 HydrophobicContact CG-CD1 4.25Å; T475-L482 HydrophobicContact CG2-CD2 4.25Å; F479-L482 HydrophobicContact CB-CB 4.37Å; F479-L482 HydrophobicContact CD1-CB 3.21Å; F479-L482 HydrophobicContact CD1-CD2 3.85Å; F479-L482 HydrophobicContact CD1-CG 4.11Å; F479-L482 HydrophobicContact CE1-CB 3.54Å; F479-L482 HydrophobicContact CE1-CD2 4.45Å; F479-L482 HydrophobicContact CE1-CG 4.45Å; F479-L482 HydrophobicContact CG-CB 3.87Å; F479-L482 HydrophobicContact CZ-CB 4.43Å; F479-L482 PolarHBondContact O-N 3.39Å; E480-L482 PolarHBondContact O-N 3.13Å; L482-L484 PolarHBondContact O-N 2.59Å; L482-S485 WeakPolarHBondContact O-CB 3.24Å; L482-S485 PolarHBondContact O-N 3.19Å; L482-L486 HydrophobicContact CD1-CD1 3.32Å; L482-L486 HydrophobicContact CG-CD1 3.63Å; L482-L486 WeakPolarHBondContact O-CD1 3.42Å; L482-L486 PolarHBondContact O-N 3.27Å |
| 483 | R | 75.3 | Confident | 72.6 | Confident | 24 Ų | 24 | 51.5 Ų | 51.5 | 9% | 0.091 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -55.5 | -49.5 | 177.9 | 178.6 | 179 | 175.9 | -162.7 | 3.1 | 113.4 | M476 F479 E480 N481 S485 L486 D487 | M476-R483 HydrophobicContact CE-CB 3.47Å; M476-R483 VanDerWaalsContact CE-CB 3.47Å; M476-R483 HydrophobicContact CE-CG 3.49Å; M476-R483 VanDerWaalsContact CE-CG 3.49Å; F479-R483 PolarHBondContact O-N 3.27Å; E480-R483 WeakPolarHBondContact O-CB 3.4Å; E480-R483 PolarHBondContact O-N 3.27Å; E480-R483 IonicContact OE1-NH1 3.45Å; E480-R483 IonicContact OE2-NH1 3.92Å; N481-R483 VanDerWaalsContact C-N 3.33Å; R483-S485 PolarHBondContact O-N 2.89Å; R483-L486 PolarHBondContact O-N 3.18Å; R483-D487 PolarHBondContact O-N 2.99Å; R483-D487 VanDerWaalsContact O-N 3.07Å |
| 484 | L | 70.6 | Confident | 71.8 | Confident | 74 Ų | 74 | 52.2 Ų | 52.2 | 39% | 0.387 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.8 | -31.2 | 178.3 | -69.3 | 172.2 | 0 | 0 | 0 | 112.2 | E480 N481 L482 K488 | E480-L484 HydrophobicContact CG-CD1 4.17Å; E480-L484 HydrophobicContact CG-CG 4.33Å; E480-L484 WeakPolarHBondContact O-CG 3.36Å; E480-L484 PolarHBondContact O-N 3.44Å; N481-L484 PolarHBondContact O-N 3.3Å; L482-L484 PolarHBondContact O-N 2.59Å; L484-K488 WeakPolarHBondContact O-CB 3.45Å; L484-K488 VanDerWaalsContact O-CG 3.25Å; L484-K488 WeakPolarHBondContact O-CG 3.46Å; L484-K488 PolarHBondContact O-N 3.45Å |
| 485 | S | 71.2 | Confident | 70.9 | Confident | 39 Ų | 39 | 52.1 Ų | 52.1 | 27% | 0.273 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -74.8 | -41.6 | 178.3 | -56.3 | 0 | 0 | 0 | 0 | 111.6 | F276 N481 L482 R483 K488 S489 | F276-S485 VanDerWaalsContact CE1-CB 3.48Å; F276-S485 WeakPolarHBondContact CZ-O 3.47Å; N481-S485 WeakPolarHBondContact O-CB 3.28Å; N481-S485 PolarHBondContact O-N 3.4Å; N481-S485 PolarHBondContact O-OG 2.88Å; L482-S485 WeakPolarHBondContact O-CB 3.24Å; L482-S485 PolarHBondContact O-N 3.19Å; R483-S485 PolarHBondContact O-N 2.89Å; S485-K488 PolarHBondContact O-N 3.48Å; S485-S489 PolarHBondContact O-N 3.1Å; S485-S489 PolarHBondContact O-OG 2.85Å |
| 486 | L | 70.7 | Confident | 70 | Confident | 25 Ų | 25 | 53.5 Ų | 53.5 | 13% | 0.131 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59 | -47.2 | 172.8 | -91.1 | 76.6 | 0 | 0 | 0 | 110.8 | F269 L272 F276 M476 L482 R483 K488 S489 A490 | F269-L486 HydrophobicContact CE2-CD2 4.26Å; L272-L486 HydrophobicContact CB-CD2 4.49Å; F276-L486 HydrophobicContact CD2-CD1 3.51Å; F276-L486 HydrophobicContact CD2-CG 4.16Å; F276-L486 HydrophobicContact CE2-CD1 3.8Å; F276-L486 HydrophobicContact CE2-CG 3.99Å; F276-L486 HydrophobicContact CG-CD1 4.13Å; M476-L486 HydrophobicContact SD-CD2 4.32Å; L482-L486 HydrophobicContact CD1-CD1 3.32Å; L482-L486 HydrophobicContact CG-CD1 3.63Å; L482-L486 WeakPolarHBondContact O-CD1 3.42Å; L482-L486 PolarHBondContact O-N 3.27Å; R483-L486 PolarHBondContact O-N 3.18Å; L486-K488 VanDerWaalsContact C-N 3.27Å; L486-K488 PolarHBondContact O-N 3.43Å; L486-S489 PolarHBondContact O-N 3.47Å; L486-A490 HydrophobicContact CB-CB 4.31Å; L486-A490 HydrophobicContact CG-CB 4.33Å; L486-A490 WeakPolarHBondContact O-CB 3.2Å; L486-A490 PolarHBondContact O-N 3.21Å |
| 487 | D | 65.4 | Low | 69.6 | Low | 77 Ų | 77 | 53.5 Ų | 53.5 | 41% | 0.412 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.2 | -34 | 179.9 | -172.4 | 53.3 | 0 | 0 | 0 | 113.2 | R483 | R483-D487 PolarHBondContact O-N 2.99Å; R483-D487 VanDerWaalsContact O-N 3.07Å |
| 488 | K | 70.6 | Confident | 69.3 | Low | 170 Ų | 170 | 56 Ų | 56 | 74% | 0.739 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -85.9 | -32 | -178 | -73.1 | 175.1 | -176.5 | 179.1 | 0 | 114.4 | L484 S485 L486 | L484-K488 WeakPolarHBondContact O-CB 3.45Å; L484-K488 VanDerWaalsContact O-CG 3.25Å; L484-K488 WeakPolarHBondContact O-CG 3.46Å; L484-K488 PolarHBondContact O-N 3.45Å; S485-K488 PolarHBondContact O-N 3.48Å; L486-K488 VanDerWaalsContact C-N 3.27Å; L486-K488 PolarHBondContact O-N 3.43Å |
| 489 | S | 67.5 | Low | 68.8 | Low | 60 Ų | 60 | 58.1 Ų | 58.1 | 42% | 0.42 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -145.6 | 4.3 | -160.8 | 55.4 | 0 | 0 | 0 | 0 | 116 | F276 S485 L486 | F276-S489 VanDerWaalsContact CE1-OG 3.23Å; F276-S489 WeakPolarHBondContact CE1-OG 3.4Å; F276-S489 VanDerWaalsContact CZ-OG 3.25Å; F276-S489 WeakPolarHBondContact CZ-OG 3.31Å; S485-S489 PolarHBondContact O-N 3.1Å; S485-S489 PolarHBondContact O-OG 2.85Å; L486-S489 PolarHBondContact O-N 3.47Å |
| 490 | A | 68.4 | Low | 68.1 | Low | 15 Ų | 15 | 61.8 Ų | 61.8 | 12% | 0.124 | 31% | 0.312 | C | S | . | . | trans | -72.3 | 139.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L272 F276 L486 W492 | L272-A490 HydrophobicContact CD2-CB 4.33Å; F276-A490 HydrophobicContact CE2-CB 4.24Å; L486-A490 HydrophobicContact CB-CB 4.31Å; L486-A490 HydrophobicContact CG-CB 4.33Å; L486-A490 WeakPolarHBondContact O-CB 3.2Å; L486-A490 PolarHBondContact O-N 3.21Å; A490-W492 PolarHBondContact O-N 3.47Å | ||
| 491 | D | 64.3 | Low | 67.8 | Low | 66 Ų | 66 | 59.5 Ų | 59.5 | 35% | 0.353 | 31% | 0.307 | S | S | . | . | trans | -75 | 72 | 174.8 | -64.9 | -36.6 | 0 | 0 | 0 | 110.1 | R312 E493 A494 | R312-D491 IonicContact NH2-OD2 2.66Å; R312-D491 PolarHBondContact NH2-OD2 2.92Å; R312-D491 VanDerWaalsContact NH2-OD2 3.16Å; D491-E493 PolarHBondContact O-N 3.04Å; D491-A494 PolarHBondContact O-N 2.9Å | ||
| 492 | W | 66.6 | Low | 67.7 | Low | 117 Ų | 117 | 58.4 Ų | 58.4 | 44% | 0.443 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -60.3 | -43.1 | -173.1 | 66.7 | -123.6 | 0 | 0 | 0 | 108.9 | A490 A494 S495 P767 Y768 | A490-W492 PolarHBondContact O-N 3.47Å; W492-A494 PolarHBondContact O-N 3.36Å; W492-S495 WeakPolarHBondContact O-CB 3.47Å; W492-S495 PolarHBondContact O-N 2.74Å; W492-S495 PolarHBondContact O-OG 2.81Å; W492-P767 HydrophobicContact CE3-CB 3.59Å; W492-P767 HydrophobicContact CE3-CG 4.33Å; W492-P767 HydrophobicContact CH2-CB 4.31Å; W492-P767 HydrophobicContact CH2-CG 4.28Å; W492-P767 HydrophobicContact CZ3-CB 3.25Å; W492-P767 HydrophobicContact CZ3-CG 3.5Å; W492-P767 VanDerWaalsContact CZ3-CG 3.5Å; W492-Y768 VanDerWaalsContact C-CZ 3.47Å; W492-Y768 WeakPolarHBondContact CA-OH 3.32Å; W492-Y768 HydrophobicContact CB-CD1 4.44Å; W492-Y768 HydrophobicContact CB-CE1 3.19Å; W492-Y768 HydrophobicContact CB-CE2 3.92Å; W492-Y768 WeakPolarHBondContact CB-OH 3.48Å; W492-Y768 HydrophobicContact CD2-CE1 4.35Å; W492-Y768 AromaticContact CD2-CE2 3.28Å; W492-Y768 HydrophobicContact CD2-CE2 3.28Å; W492-Y768 AromaticContact CD2-CZ 3.17Å; W492-Y768 AromaticContact CE3-CE2 3.24Å; W492-Y768 HydrophobicContact CE3-CE2 3.24Å; W492-Y768 AromaticContact CE3-CZ 3.23Å; W492-Y768 AromaticContact CG-CE1 3.97Å; W492-Y768 HydrophobicContact CG-CE1 3.97Å; W492-Y768 AromaticContact CG-CE2 3.7Å; W492-Y768 HydrophobicContact CG-CE2 3.7Å; W492-Y768 AromaticContact CG-CZ 3.19Å; W492-Y768 HydrophobicContact CH2-CE2 4.27Å; W492-Y768 HydrophobicContact CZ2-CE2 4.43Å; W492-Y768 AromaticContact CZ3-CE2 3.72Å; W492-Y768 HydrophobicContact CZ3-CE2 3.72Å; W492-Y768 WeakPolarHBondContact O-CE1 3.36Å; W492-Y768 PolarHBondContact O-OH 3.18Å |
| 493 | E | 59.2 | Low | 67.2 | Low | 133 Ų | 133 | 60.8 Ų | 60.8 | 62% | 0.621 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -55.7 | -27.7 | -172.2 | -68.2 | -178.5 | 176 | 0 | 0 | 113.2 | D491 N496 Y768 | D491-E493 PolarHBondContact O-N 3.04Å; E493-N496 VanDerWaalsContact O-CB 3.27Å; E493-N496 WeakPolarHBondContact O-CB 3.31Å; E493-N496 PolarHBondContact O-ND2 3.36Å; E493-Y768 WeakPolarHBondContact CA-OH 3.47Å; E493-Y768 PolarHBondContact N-OH 3.01Å |
| 494 | A | 64.7 | Low | 66.5 | Low | 18 Ų | 18 | 68.3 Ų | 68.3 | 15% | 0.149 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -80.7 | -18 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | W271 D491 W492 N496 N515 S516 | W271-A494 HydrophobicContact CH2-CB 3.41Å; W271-A494 VanDerWaalsContact CH2-CB 3.41Å; W271-A494 HydrophobicContact CZ2-CB 4.35Å; W271-A494 HydrophobicContact CZ3-CB 3.99Å; D491-A494 PolarHBondContact O-N 2.9Å; W492-A494 PolarHBondContact O-N 3.36Å; A494-N496 PolarHBondContact O-N 2.7Å; A494-N515 HydrophobicContact CB-CB 4Å; A494-N515 VanDerWaalsContact O-CB 3.25Å; A494-N515 WeakPolarHBondContact O-CB 3.23Å; A494-S516 PolarHBondContact O-N 3.18Å |
| 495 | S | 64.4 | Low | 66.2 | Low | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -78 | 4.8 | 174.6 | 67 | 0 | 0 | 0 | 0 | 113.4 | W492 L513 | W492-S495 WeakPolarHBondContact O-CB 3.47Å; W492-S495 PolarHBondContact O-N 2.74Å; W492-S495 PolarHBondContact O-OG 2.81Å; S495-L513 VanDerWaalsContact O-CD2 3.25Å; S495-L513 WeakPolarHBondContact O-CD2 3.32Å |
| 496 | N | 61.5 | Low | 65.8 | Low | 31 Ų | 31 | 74.3 Ų | 74.3 | 17% | 0.166 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 136.3 | -173.8 | -95.2 | -45.9 | 0 | 0 | 0 | 116.9 | E493 A494 L513 S766 P767 Y768 | E493-N496 VanDerWaalsContact O-CB 3.27Å; E493-N496 WeakPolarHBondContact O-CB 3.31Å; E493-N496 PolarHBondContact O-ND2 3.36Å; A494-N496 PolarHBondContact O-N 2.7Å; N496-L513 VanDerWaalsContact C-CD2 3.49Å; N496-S766 PolarHBondContact OD1-O 3.28Å; N496-S766 VanDerWaalsContact OD1-O 3.13Å; N496-P767 WeakPolarHBondContact ND2-CA 3.49Å; N496-P767 WeakPolarHBondContact ND2-CB 3.18Å; N496-P767 PolarHBondContact ND2-O 3.48Å; N496-P767 WeakPolarHBondContact OD1-CA 3.3Å; N496-P767 PolarHBondContact OD1-O 3.26Å; N496-Y768 PolarHBondContact OD1-N 3.4Å |
| 497 | P | 64.2 | Low | 65.5 | Low | 19 Ų | 19 | 79.6 Ų | 79.6 | 12% | 0.123 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 131.9 | 166.5 | 19.6 | -7.9 | 0 | 0 | 0 | 111.1 | I511 L513 A769 | P497-I511 HydrophobicContact CB-CB 3.96Å; P497-I511 HydrophobicContact CB-CD1 3.65Å; P497-I511 HydrophobicContact CB-CG1 4.35Å; P497-I511 HydrophobicContact CB-CG2 4.33Å; P497-I511 HydrophobicContact CG-CD1 4.32Å; P497-L513 HydrophobicContact CB-CD2 3.97Å; P497-L513 HydrophobicContact CB-CG 4.26Å; P497-L513 HydrophobicContact CG-CD2 4.4Å; P497-A769 HydrophobicContact CG-CB 3.1Å |
| 498 | V | 67.3 | Low | 65.8 | Low | 67 Ų | 67 | 79.6 Ų | 79.6 | 41% | 0.406 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 120.6 | 166.1 | 178.5 | 0 | 0 | 0 | 0 | 107.9 | I511 H512 P514 | V498-I511 CarbonylContact O-C 3.48Å; V498-I511 VanDerWaalsContact O-CA 3.29Å; V498-I511 WeakPolarHBondContact O-CA 3.23Å; V498-H512 WeakPolarHBondContact CA-O 3.4Å; V498-H512 WeakPolarHBondContact CB-O 3.49Å; V498-H512 PolarHBondContact N-O 3.32Å; V498-H512 PolarHBondContact O-N 2.92Å; V498-P514 HydrophobicContact CB-CG 4.45Å; V498-P514 HydrophobicContact CG2-CG 3.65Å |
| 499 | Y | 65.3 | Low | 65.7 | Low | 121 Ų | 121 | 72.1 Ų | 72.1 | 48% | 0.475 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 123.6 | 176.2 | 174.7 | -89.7 | 0 | 0 | 0 | 110.2 | G501 T502 T509 | Y499-G501 VanDerWaalsContact CE1-CA 3.49Å; Y499-G501 VanDerWaalsContact CZ-C 3.41Å; Y499-T502 HydrophobicContact CE2-CG2 3.77Å; Y499-T502 WeakPolarHBondContact OH-CB 3.21Å; Y499-T502 WeakPolarHBondContact OH-CG2 3.21Å; Y499-T502 PolarHBondContact OH-N 3.28Å; Y499-T502 VanDerWaalsContact OH-N 3.07Å; Y499-T502 PolarHBondContact OH-OG1 3.41Å; Y499-T509 HydrophobicContact CD2-CG2 3.45Å; Y499-T509 VanDerWaalsContact CD2-CG2 3.45Å; Y499-T509 HydrophobicContact CE2-CG2 3.32Å |
| 500 | L | 64.7 | Low | 65.9 | Low | 95 Ų | 95 | 73.1 Ų | 73.1 | 50% | 0.497 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | -28.1 | 178.6 | -64.1 | -179.2 | 0 | 0 | 0 | 112.6 | Y510 H512 I527 | L500-Y510 PolarHBondContact N-O 2.84Å; L500-H512 HydrophobicContact CD1-CB 3.76Å; L500-H512 HydrophobicContact CD2-CB 4.36Å; L500-H512 HydrophobicContact CG-CB 4.06Å; L500-I527 HydrophobicContact CD1-CB 4.46Å; L500-I527 HydrophobicContact CD1-CD1 3.82Å; L500-I527 HydrophobicContact CD1-CG1 3.78Å; L500-I527 HydrophobicContact CD1-CG2 3.93Å |
| 501 | G | 69.6 | Low | 66.1 | Low | 21 Ų | 21 | 73.5 Ų | 73.5 | 22% | 0.216 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.4 | 170 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y499 Y510 | Y499-G501 VanDerWaalsContact CE1-CA 3.49Å; Y499-G501 VanDerWaalsContact CZ-C 3.41Å; G501-Y510 PolarHBondContact N-O 2.86Å; G501-Y510 PolarHBondContact O-N 2.92Å |
| 502 | T | 73.5 | Confident | 66.3 | Low | 52 Ų | 52 | 71.6 Ų | 71.6 | 32% | 0.319 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 140.9 | 169 | 37.8 | 0 | 0 | 0 | 0 | 109.3 | Y499 Y508 T509 | Y499-T502 HydrophobicContact CE2-CG2 3.77Å; Y499-T502 WeakPolarHBondContact OH-CB 3.21Å; Y499-T502 WeakPolarHBondContact OH-CG2 3.21Å; Y499-T502 PolarHBondContact OH-N 3.28Å; Y499-T502 VanDerWaalsContact OH-N 3.07Å; Y499-T502 PolarHBondContact OH-OG1 3.41Å; T502-Y508 CarbonylContact C-O 3.38Å; T502-Y508 VanDerWaalsContact CA-O 3.31Å; T502-Y508 WeakPolarHBondContact CA-O 3.37Å; T502-T509 HydrophobicContact CG2-CG2 4.1Å; T502-T509 WeakPolarHBondContact CG2-OG1 3.4Å |
| 503 | D | 65.9 | Low | 66.4 | Low | 52 Ų | 52 | 66.1 Ų | 66.1 | 28% | 0.278 | 32% | 0.321 | S | S | . | . | trans | -87.4 | 115.3 | 165.3 | 175.1 | 9.6 | 0 | 0 | 0 | 108.7 | F505 S506 K507 Y508 Y510 | D503-F505 PolarHBondContact O-N 3.47Å; D503-F505 PolarHBondContact OD1-N 2.89Å; D503-S506 VanDerWaalsContact CB-OG 3.27Å; D503-S506 WeakPolarHBondContact CB-OG 3.34Å; D503-S506 WeakPolarHBondContact OD2-CB 3.28Å; D503-S506 PolarHBondContact OD2-N 2.77Å; D503-S506 PolarHBondContact OD2-OG 3.25Å; D503-K507 WeakPolarHBondContact O-CA 3.38Å; D503-K507 PolarHBondContact O-N 2.9Å; D503-Y508 PolarHBondContact N-O 3.32Å; D503-Y510 HydrophobicContact CB-CE2 4.05Å | ||
| 504 | F | 61.9 | Low | 66.5 | Low | 182 Ų | 182 | 62.3 Ų | 62.3 | 80% | 0.798 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -32.4 | 179.1 | -68.4 | -80 | 0 | 0 | 0 | 113 | ||
| 505 | F | 62.9 | Low | 66.5 | Low | 198 Ų | 198 | 65.7 Ų | 65.7 | 87% | 0.868 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -43.6 | -175.1 | -64.1 | -76.8 | 0 | 0 | 0 | 111.9 | D503 | D503-F505 PolarHBondContact O-N 3.47Å; D503-F505 PolarHBondContact OD1-N 2.89Å |
| 506 | S | 63.7 | Low | 66.6 | Low | 42 Ų | 42 | 65.8 Ų | 65.8 | 29% | 0.294 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -9.9 | -176.2 | 66.4 | 0 | 0 | 0 | 0 | 114.2 | D503 Y508 | D503-S506 VanDerWaalsContact CB-OG 3.27Å; D503-S506 WeakPolarHBondContact CB-OG 3.34Å; D503-S506 WeakPolarHBondContact OD2-CB 3.28Å; D503-S506 PolarHBondContact OD2-N 2.77Å; D503-S506 PolarHBondContact OD2-OG 3.25Å; S506-Y508 PolarHBondContact O-N 3.35Å; S506-Y508 WeakPolarHBondContact OG-CD2 3.44Å; S506-Y508 PolarHBondContact OG-N 3.19Å |
| 507 | K | 64.2 | Low | 66.6 | Low | 136 Ų | 136 | 64.3 Ų | 64.3 | 59% | 0.591 | 32% | 0.317 | S | S | * | . | trans | 57.6 | 21.7 | -173.3 | -55.6 | 176.7 | -179.1 | 166.1 | 0 | 113.1 | D503 Y532 | D503-K507 WeakPolarHBondContact O-CA 3.38Å; D503-K507 PolarHBondContact O-N 2.9Å; K507-Y532 PolarHBondContact O-N 2.96Å | ||
| 508 | Y | 70.9 | Confident | 66.2 | Low | 76 Ų | 76 | 64.3 Ų | 64.3 | 30% | 0.298 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 145 | 170.9 | -67.6 | -58 | 0 | 0 | 0 | 110.8 | T502 D503 S506 R529 I530 | T502-Y508 CarbonylContact C-O 3.38Å; T502-Y508 VanDerWaalsContact CA-O 3.31Å; T502-Y508 WeakPolarHBondContact CA-O 3.37Å; D503-Y508 PolarHBondContact N-O 3.32Å; S506-Y508 PolarHBondContact O-N 3.35Å; S506-Y508 WeakPolarHBondContact OG-CD2 3.44Å; S506-Y508 PolarHBondContact OG-N 3.19Å; Y508-R529 HydrophobicContact CD1-CG 3.9Å; Y508-R529 HydrophobicContact CD2-CG 4.29Å; Y508-R529 HydrophobicContact CG-CG 3.69Å; Y508-I530 CarbonylContact C-O 3.51Å; Y508-I530 WeakPolarHBondContact CA-O 3.24Å |
| 509 | T | 69.4 | Low | 65.6 | Low | 13 Ų | 13 | 65.7 Ų | 65.7 | 8% | 0.08 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 133.4 | 172.8 | -58.8 | 0 | 0 | 0 | 0 | 108.7 | Y499 T502 I511 I530 | Y499-T509 HydrophobicContact CD2-CG2 3.45Å; Y499-T509 VanDerWaalsContact CD2-CG2 3.45Å; Y499-T509 HydrophobicContact CE2-CG2 3.32Å; T502-T509 HydrophobicContact CG2-CG2 4.1Å; T502-T509 WeakPolarHBondContact CG2-OG1 3.4Å; T509-I511 HydrophobicContact CG2-CG2 4.11Å; T509-I530 PolarHBondContact N-O 3.11Å; T509-I530 PolarHBondContact O-N 2.94Å |
| 510 | Y | 72.3 | Confident | 65.3 | Low | 82 Ų | 82 | 61.1 Ų | 61.1 | 32% | 0.322 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 127 | 178.2 | -64.6 | -87.8 | 0 | 0 | 0 | 109.5 | L500 G501 D503 I527 Y528 R529 | L500-Y510 PolarHBondContact N-O 2.84Å; G501-Y510 PolarHBondContact N-O 2.86Å; G501-Y510 PolarHBondContact O-N 2.92Å; D503-Y510 HydrophobicContact CB-CE2 4.05Å; Y510-I527 HydrophobicContact CD1-CG2 3.92Å; Y510-I527 HydrophobicContact CG-CG2 4.47Å; Y510-Y528 WeakPolarHBondContact CA-O 3.46Å; Y510-R529 HydrophobicContact CD1-CB 4.19Å; Y510-R529 HydrophobicContact CD1-CG 4.29Å; Y510-R529 HydrophobicContact CE1-CB 3.97Å; Y510-R529 HydrophobicContact CE1-CG 3.79Å |
| 511 | I | 71.1 | Confident | 64.9 | Low | 22 Ų | 22 | 61 Ų | 61 | 11% | 0.113 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 154.8 | 178.8 | 64.4 | 159 | 0 | 0 | 0 | 110.6 | P497 V498 T509 Y528 I530 | P497-I511 HydrophobicContact CB-CB 3.96Å; P497-I511 HydrophobicContact CB-CD1 3.65Å; P497-I511 HydrophobicContact CB-CG1 4.35Å; P497-I511 HydrophobicContact CB-CG2 4.33Å; P497-I511 HydrophobicContact CG-CD1 4.32Å; V498-I511 CarbonylContact O-C 3.48Å; V498-I511 VanDerWaalsContact O-CA 3.29Å; V498-I511 WeakPolarHBondContact O-CA 3.23Å; T509-I511 HydrophobicContact CG2-CG2 4.11Å; I511-Y528 PolarHBondContact N-O 3.17Å; I511-Y528 PolarHBondContact O-N 3.26Å; I511-I530 HydrophobicContact CD1-CD1 3.3Å; I511-I530 HydrophobicContact CD1-CG1 4.26Å; I511-I530 HydrophobicContact CG1-CD1 3.8Å; I511-I530 HydrophobicContact CG1-CG1 4.35Å; I511-I530 HydrophobicContact CG2-CD1 4.49Å |
| 512 | H | 68.9 | Low | 64.4 | Low | 27 Ų | 27 | 62.9 Ų | 62.9 | 13% | 0.125 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 148.1 | 174 | 176.9 | 56 | 0 | 0 | 0 | 109.8 | V498 L500 P514 S524 R526 | V498-H512 WeakPolarHBondContact CA-O 3.4Å; V498-H512 WeakPolarHBondContact CB-O 3.49Å; V498-H512 PolarHBondContact N-O 3.32Å; V498-H512 PolarHBondContact O-N 2.92Å; L500-H512 HydrophobicContact CD1-CB 3.76Å; L500-H512 HydrophobicContact CD2-CB 4.36Å; L500-H512 HydrophobicContact CG-CB 4.06Å; H512-P514 VanDerWaalsContact C-CD 3.45Å; H512-P514 WeakPolarHBondContact NE2-CA 3.43Å; H512-P514 WeakPolarHBondContact NE2-CB 3.48Å; H512-P514 VanDerWaalsContact O-CD 3.28Å; H512-P514 WeakPolarHBondContact O-CD 3.48Å; H512-S524 PolarHBondContact CE1-O 3.14Å; H512-S524 PolarHBondContact NE2-O 3.4Å; H512-R526 PolarHBondContact ND1-O 3.34Å |
| 513 | L | 68.5 | Low | 63.6 | Low | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | trans | -120.7 | 68.8 | -174.5 | -71.3 | 145.2 | 0 | 0 | 0 | 110.1 | L264 S495 N496 P497 N515 I517 Y528 | L264-L513 HydrophobicContact CD1-CD1 4.33Å; L264-L513 HydrophobicContact CD2-CD1 3.89Å; S495-L513 VanDerWaalsContact O-CD2 3.25Å; S495-L513 WeakPolarHBondContact O-CD2 3.32Å; N496-L513 VanDerWaalsContact C-CD2 3.49Å; P497-L513 HydrophobicContact CB-CD2 3.97Å; P497-L513 HydrophobicContact CB-CG 4.26Å; P497-L513 HydrophobicContact CG-CD2 4.4Å; L513-N515 VanDerWaalsContact C-N 3.28Å; L513-N515 PolarHBondContact O-N 3.4Å; L513-I517 HydrophobicContact CB-CD1 3.59Å; L513-I517 HydrophobicContact CB-CG1 3.88Å; L513-I517 HydrophobicContact CD1-CD1 4.16Å; L513-I517 VanDerWaalsContact O-CB 3.31Å; L513-I517 WeakPolarHBondContact O-CB 3.09Å; L513-I517 WeakPolarHBondContact O-CG1 3.46Å; L513-I517 PolarHBondContact O-N 2.83Å; L513-I517 VanDerWaalsContact O-N 3.14Å; L513-Y528 HydrophobicContact CD1-CD2 4.1Å; L513-Y528 HydrophobicContact CD1-CE2 3.89Å | ||
| 514 | P | 61.6 | Low | 63.4 | Low | 54 Ų | 54 | 59.5 Ų | 59.5 | 35% | 0.351 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -27.7 | -169.3 | 23.9 | -31.3 | 0 | 0 | 0 | 114 | V498 H512 | V498-P514 HydrophobicContact CB-CG 4.45Å; V498-P514 HydrophobicContact CG2-CG 3.65Å; H512-P514 VanDerWaalsContact C-CD 3.45Å; H512-P514 WeakPolarHBondContact NE2-CA 3.43Å; H512-P514 WeakPolarHBondContact NE2-CB 3.48Å; H512-P514 VanDerWaalsContact O-CD 3.28Å; H512-P514 WeakPolarHBondContact O-CD 3.48Å |
| 515 | N | 65 | Low | 63.4 | Low | 89 Ų | 89 | 57.5 Ų | 57.5 | 48% | 0.476 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -23.9 | -171.5 | -68.1 | 25 | 0 | 0 | 0 | 113.3 | H310 A494 L513 | H310-N515 PolarHBondContact NE2-O 3.27Å; A494-N515 HydrophobicContact CB-CB 4Å; A494-N515 VanDerWaalsContact O-CB 3.25Å; A494-N515 WeakPolarHBondContact O-CB 3.23Å; L513-N515 VanDerWaalsContact C-N 3.28Å; L513-N515 PolarHBondContact O-N 3.4Å |
| 516 | S | 65.8 | Low | 63.9 | Low | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -34.7 | 179.8 | 54.9 | 0 | 0 | 0 | 0 | 112.3 | Y267 W271 A494 G518 | Y267-S516 WeakPolarHBondContact CE1-O 3.3Å; Y267-S516 PolarHBondContact OH-O 3.18Å; W271-S516 PolarHBondContact NE1-O 3.46Å; A494-S516 PolarHBondContact O-N 3.18Å; S516-G518 PolarHBondContact O-N 3.45Å |
| 517 | I | 61.9 | Low | 64.3 | Low | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -79.8 | 108.7 | 175.7 | -58.2 | 176.4 | 0 | 0 | 0 | 106.5 | L513 T523 Y528 | L513-I517 HydrophobicContact CB-CD1 3.59Å; L513-I517 HydrophobicContact CB-CG1 3.88Å; L513-I517 HydrophobicContact CD1-CD1 4.16Å; L513-I517 VanDerWaalsContact O-CB 3.31Å; L513-I517 WeakPolarHBondContact O-CB 3.09Å; L513-I517 WeakPolarHBondContact O-CG1 3.46Å; L513-I517 PolarHBondContact O-N 2.83Å; L513-I517 VanDerWaalsContact O-N 3.14Å; I517-T523 VanDerWaalsContact CG2-O 3.26Å; I517-T523 WeakPolarHBondContact CG2-O 3.26Å; I517-T523 WeakPolarHBondContact CG2-OG1 3.44Å; I517-Y528 HydrophobicContact CD1-CE2 3.58Å; I517-Y528 WeakPolarHBondContact CD1-OH 3.38Å |
| 518 | G | 55.7 | Low | 64.6 | Low | 19 Ų | 19 | 47.8 Ų | 47.8 | 20% | 0.196 | 26% | 0.259 | C | S | . | . | trans | -53.5 | 179.3 | -169.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | S516 D520 | S516-G518 PolarHBondContact O-N 3.45Å; G518-D520 PolarHBondContact O-N 3.15Å | ||
| 519 | I | 54.9 | Low | 64.6 | Low | 96 Ų | 96 | 51.3 Ų | 51.3 | 49% | 0.492 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -64.8 | -11.4 | -172.5 | -56.9 | 138.5 | 0 | 0 | 0 | 113.1 | T308 H310 | T308-I519 WeakPolarHBondContact O-CD1 3.41Å; H310-I519 HydrophobicContact CB-CD1 4.04Å |
| 520 | D | 58.6 | Low | 64.5 | Low | 24 Ų | 24 | 54.5 Ų | 54.5 | 13% | 0.128 | 29% | 0.288 | C | S | . | . | trans | -57.8 | 123.7 | -177.8 | -102 | -20.3 | 0 | 0 | 0 | 110.7 | N303 G518 A522 T523 S524 | N303-D520 PolarHBondContact ND2-OD1 3.36Å; G518-D520 PolarHBondContact O-N 3.15Å; D520-A522 PolarHBondContact O-N 2.68Å; D520-T523 PolarHBondContact O-N 3.16Å; D520-S524 WeakPolarHBondContact O-CB 3.46Å; D520-S524 PolarHBondContact O-N 3.43Å; D520-S524 PolarHBondContact O-OG 3.47Å | ||
| 521 | P | 56.6 | Low | 63.9 | Low | 94 Ų | 94 | 54 Ų | 54 | 61% | 0.61 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -58.6 | -26.4 | -176 | 21.6 | -31.8 | 0 | 0 | 0 | 112.4 | T523 S524 | P521-T523 VanDerWaalsContact C-N 3.35Å; P521-T523 PolarHBondContact O-N 3.14Å; P521-S524 VanDerWaalsContact CA-OG 3.28Å; P521-S524 WeakPolarHBondContact CA-OG 3.41Å |
| 522 | A | 58.2 | Low | 62.5 | Low | 59 Ų | 59 | 60.4 Ų | 60.4 | 49% | 0.488 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.4 | -29.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | F317 D520 | F317-A522 HydrophobicContact CD2-CB 4.18Å; F317-A522 HydrophobicContact CE2-CB 4.12Å; F317-A522 HydrophobicContact CZ-CB 4.43Å; D520-A522 PolarHBondContact O-N 2.68Å |
| 523 | T | 58.2 | Low | 61.1 | Low | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -112.8 | -31.2 | -177.3 | 58.3 | 0 | 0 | 0 | 0 | 112.9 | L316 F317 I517 D520 P521 L525 R526 | L316-T523 HydrophobicContact CB-CG2 4.46Å; F317-T523 HydrophobicContact CB-CG2 3.63Å; F317-T523 HydrophobicContact CD2-CG2 4.23Å; F317-T523 HydrophobicContact CG-CG2 4.33Å; I517-T523 VanDerWaalsContact CG2-O 3.26Å; I517-T523 WeakPolarHBondContact CG2-O 3.26Å; I517-T523 WeakPolarHBondContact CG2-OG1 3.44Å; D520-T523 PolarHBondContact O-N 3.16Å; P521-T523 VanDerWaalsContact C-N 3.35Å; P521-T523 PolarHBondContact O-N 3.14Å; T523-L525 PolarHBondContact O-N 3.17Å; T523-R526 WeakPolarHBondContact O-CB 3.35Å; T523-R526 PolarHBondContact O-N 3Å |
| 524 | S | 60.4 | Low | 59.3 | Low | 33 Ų | 33 | 70 Ų | 70 | 23% | 0.231 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.7 | -15.4 | 176.6 | 57.5 | 0 | 0 | 0 | 0 | 114.7 | H512 D520 P521 | H512-S524 PolarHBondContact CE1-O 3.14Å; H512-S524 PolarHBondContact NE2-O 3.4Å; D520-S524 WeakPolarHBondContact O-CB 3.46Å; D520-S524 PolarHBondContact O-N 3.43Å; D520-S524 PolarHBondContact O-OG 3.47Å; P521-S524 VanDerWaalsContact CA-OG 3.28Å; P521-S524 WeakPolarHBondContact CA-OG 3.41Å |
| 525 | L | 63.7 | Low | 57.7 | Low | 140 Ų | 140 | 74.5 Ų | 74.5 | 73% | 0.733 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | 7 | 174 | -65.1 | 172.6 | 0 | 0 | 0 | 113.3 | T523 I527 | T523-L525 PolarHBondContact O-N 3.17Å; L525-I527 PolarHBondContact O-N 3.18Å |
| 526 | R | 71.5 | Confident | 55.7 | Low | 35 Ų | 35 | 76.9 Ų | 76.9 | 13% | 0.132 | 39% | 0.394 | C | S | . | . | trans | -77.6 | 123.6 | -173.7 | -167.2 | 177.5 | -68.7 | 169.2 | -1.9 | 111.9 | E320 H512 T523 Y528 | E320-R526 VanDerWaalsContact CD-NH1 3.32Å; E320-R526 IonicContact OE1-CZ 3.72Å; E320-R526 IonicContact OE1-NH1 3.73Å; E320-R526 PolarHBondContact OE1-NH1 3.43Å; E320-R526 IonicContact OE1-NH2 3.69Å; E320-R526 IonicContact OE2-CZ 3.29Å; E320-R526 IonicContact OE2-NH1 2.74Å; E320-R526 PolarHBondContact OE2-NH1 3.48Å; E320-R526 IonicContact OE2-NH2 3.52Å; E320-R526 PolarHBondContact OE2-NH2 3.01Å; H512-R526 PolarHBondContact ND1-O 3.34Å; T523-R526 WeakPolarHBondContact O-CB 3.35Å; T523-R526 PolarHBondContact O-N 3Å; R526-Y528 HydrophobicContact CG-CE2 4.31Å | ||
| 527 | I | 73.5 | Confident | 53.8 | Low | 96 Ų | 96 | 82 Ų | 82 | 49% | 0.492 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 129.9 | 179.2 | -59.3 | 172.8 | 0 | 0 | 0 | 109.2 | L500 Y510 L525 | L500-I527 HydrophobicContact CD1-CB 4.46Å; L500-I527 HydrophobicContact CD1-CD1 3.82Å; L500-I527 HydrophobicContact CD1-CG1 3.78Å; L500-I527 HydrophobicContact CD1-CG2 3.93Å; Y510-I527 HydrophobicContact CD1-CG2 3.92Å; Y510-I527 HydrophobicContact CG-CG2 4.47Å; L525-I527 PolarHBondContact O-N 3.18Å |
| 528 | Y | 70.4 | Confident | 52.3 | Low | 41 Ų | 41 | 87.7 Ų | 87.7 | 16% | 0.161 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 138.3 | 176.6 | -57.5 | -95.6 | 0 | 0 | 0 | 110.6 | L264 Y510 I511 L513 I517 R526 | L264-Y528 HydrophobicContact CD1-CE1 4.46Å; L264-Y528 WeakPolarHBondContact CD1-OH 3.41Å; L264-Y528 HydrophobicContact CD2-CD1 4.07Å; L264-Y528 HydrophobicContact CD2-CE1 3.66Å; L264-Y528 HydrophobicContact CD2-CE2 4.34Å; Y510-Y528 WeakPolarHBondContact CA-O 3.46Å; I511-Y528 PolarHBondContact N-O 3.17Å; I511-Y528 PolarHBondContact O-N 3.26Å; L513-Y528 HydrophobicContact CD1-CD2 4.1Å; L513-Y528 HydrophobicContact CD1-CE2 3.89Å; I517-Y528 HydrophobicContact CD1-CE2 3.58Å; I517-Y528 WeakPolarHBondContact CD1-OH 3.38Å; R526-Y528 HydrophobicContact CG-CE2 4.31Å |
| 529 | R | 71 | Confident | 51 | Low | 151 Ų | 151 | 94 Ų | 94 | 57% | 0.57 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 117.2 | 176.6 | -173.8 | -174.4 | 68.3 | 171.2 | -3.7 | 109.4 | Y508 Y510 | Y508-R529 HydrophobicContact CD1-CG 3.9Å; Y508-R529 HydrophobicContact CD2-CG 4.29Å; Y508-R529 HydrophobicContact CG-CG 3.69Å; Y510-R529 HydrophobicContact CD1-CB 4.19Å; Y510-R529 HydrophobicContact CD1-CG 4.29Å; Y510-R529 HydrophobicContact CE1-CB 3.97Å; Y510-R529 HydrophobicContact CE1-CG 3.79Å |
| 530 | I | 66.7 | Low | 49.7 | Very low | 80 Ų | 80 | 95.4 Ų | 95.4 | 41% | 0.41 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 134.3 | 179.7 | -58.7 | 177.4 | 0 | 0 | 0 | 109 | Y508 T509 I511 Y532 | Y508-I530 CarbonylContact C-O 3.51Å; Y508-I530 WeakPolarHBondContact CA-O 3.24Å; T509-I530 PolarHBondContact N-O 3.11Å; T509-I530 PolarHBondContact O-N 2.94Å; I511-I530 HydrophobicContact CD1-CD1 3.3Å; I511-I530 HydrophobicContact CD1-CG1 4.26Å; I511-I530 HydrophobicContact CG1-CD1 3.8Å; I511-I530 HydrophobicContact CG1-CG1 4.35Å; I511-I530 HydrophobicContact CG2-CD1 4.49Å; I530-Y532 PolarHBondContact O-N 3.37Å |
| 531 | S | 59.9 | Low | 48.2 | Very low | 71 Ų | 71 | 100.3 Ų | 100.3 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 123.8 | 167.1 | 55.7 | 0 | 0 | 0 | 0 | 109.6 | V533 | S531-V533 PolarHBondContact O-N 3.41Å |
| 532 | Y | 42.6 | Very low | 47.1 | Very low | 157 Ų | 157 | 104.6 Ų | 104.6 | 62% | 0.616 | 53% | 0.529 | S | S | * | . | trans | -60.1 | 115.7 | 176.3 | -155.3 | -86.1 | 0 | 0 | 0 | 109.6 | K507 I530 K534 | K507-Y532 PolarHBondContact O-N 2.96Å; I530-Y532 PolarHBondContact O-N 3.37Å; Y532-K534 HydrophobicContact CD1-CG 4.43Å; Y532-K534 PolarHBondContact O-N 2.92Å | ||
| 533 | V | 38.6 | Very low | 45.8 | Very low | 95 Ų | 95 | 110.1 Ų | 110.1 | 58% | 0.576 | 55% | 0.545 | S | S | * | . | trans | -77.8 | 94.8 | 171.3 | -175.9 | 0 | 0 | 0 | 0 | 106.9 | S531 H535 | S531-V533 PolarHBondContact O-N 3.41Å; V533-H535 PolarHBondContact O-N 3.38Å | ||
| 534 | K | 31.4 | Very low | 44.4 | Very low | 133 Ų | 133 | 119.4 Ų | 119.4 | 58% | 0.578 | 59% | 0.585 | S | S | * | * | trans | -59.3 | 103.3 | 166.9 | -80.9 | -170.6 | 174.3 | -166.1 | 0 | 108.6 | Y532 Q536 | Y532-K534 HydrophobicContact CD1-CG 4.43Å; Y532-K534 PolarHBondContact O-N 2.92Å; K534-Q536 PolarHBondContact O-N 3.2Å | ||
| 535 | H | 27 | Very low | 42.7 | Very low | 150 Ų | 150 | 123.5 Ų | 123.5 | 69% | 0.694 | 61% | 0.614 | S | S | * | * | trans | -74.4 | 78.3 | 151.8 | -92.4 | -64.4 | 0 | 0 | 0 | 107.5 | V533 | V533-H535 PolarHBondContact O-N 3.38Š| ||
| 536 | Q | 22.9 | Very low | 41 | Very low | 139 Ų | 139 | 124.3 Ų | 124.3 | 65% | 0.65 | 62% | 0.618 | S | S | * | * | trans | -67.6 | 135.5 | 150.7 | -130.3 | 152.2 | 2.3 | 0 | 0 | 105.6 | K534 V538 | K534-Q536 PolarHBondContact O-N 3.2Å; Q536-V538 PolarHBondContact O-N 3Å; Q536-V538 VanDerWaalsContact O-N 3.12Å | ||
| 537 | P | 26.6 | Very low | 38.8 | Very low | 109 Ų | 109 | 129.7 Ų | 129.7 | 71% | 0.708 | 65% | 0.649 | S | S | * | * | trans | -52 | 128 | 169.2 | 22.8 | -30.6 | 0 | 0 | 0 | 106.2 | E539 | P537-E539 PolarHBondContact O-N 3.37Š| ||
| 538 | V | 30.7 | Very low | 36.6 | Very low | 119 Ų | 119 | 131.9 Ų | 131.9 | 72% | 0.721 | 66% | 0.66 | S | S | * | * | trans | -58.9 | 99.3 | 174.4 | 175.4 | 0 | 0 | 0 | 0 | 105.4 | Q536 L540 | Q536-V538 PolarHBondContact O-N 3Å; Q536-V538 VanDerWaalsContact O-N 3.12Å; V538-L540 HydrophobicContact CG1-CD2 3.97Å; V538-L540 HydrophobicContact CG1-CG 4.16Å; V538-L540 PolarHBondContact O-N 3.09Å | ||
| 539 | E | 27.9 | Very low | 34.4 | Very low | 152 Ų | 152 | 135.3 Ų | 135.3 | 71% | 0.71 | 69% | 0.686 | S | S | * | * | trans | -62.7 | 98.5 | 162 | -75.6 | -168.6 | 175 | 0 | 0 | 104.6 | P537 N541 | P537-E539 PolarHBondContact O-N 3.37Å; E539-N541 PolarHBondContact O-N 3.38Å | ||
| 540 | L | 27.8 | Very low | 32.4 | Very low | 126 Ų | 126 | 135.9 Ų | 135.9 | 66% | 0.66 | 70% | 0.699 | S | S | * | * | trans | -65.7 | 78.9 | 168.9 | -71.9 | 167.8 | 0 | 0 | 0 | 106.6 | V538 F542 | V538-L540 HydrophobicContact CG1-CD2 3.97Å; V538-L540 HydrophobicContact CG1-CG 4.16Å; V538-L540 PolarHBondContact O-N 3.09Å; L540-F542 HydrophobicContact CB-CD2 4.22Å; L540-F542 HydrophobicContact CB-CE2 4.04Å; L540-F542 WeakPolarHBondContact O-CD2 3.49Å; L540-F542 PolarHBondContact O-N 3.28Å | ||
| 541 | N | 27.5 | Very low | 30.5 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 68% | 0.679 | 71% | 0.71 | S | S | * | * | trans | -70.6 | 91.6 | 166.2 | -74.7 | -33.5 | 0 | 0 | 0 | 106.5 | E539 E543 | E539-N541 PolarHBondContact O-N 3.38Å; N541-E543 PolarHBondContact O-N 3.09Å | ||
| 542 | F | 33.1 | Very low | 29 | Very low | 183 Ų | 183 | 144.8 Ų | 144.8 | 80% | 0.803 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | 53.2 | 171.5 | -80.4 | -84.3 | 0 | 0 | 0 | 111.6 | L540 | L540-F542 HydrophobicContact CB-CD2 4.22Å; L540-F542 HydrophobicContact CB-CE2 4.04Å; L540-F542 WeakPolarHBondContact O-CD2 3.49Å; L540-F542 PolarHBondContact O-N 3.28Å |
| 543 | E | 30.7 | Very low | 28.5 | Very low | 176 Ų | 176 | 145 Ų | 145 | 82% | 0.822 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.9 | 9.5 | -176.1 | -82 | -154.3 | 160 | 0 | 0 | 117 | N541 | N541-E543 PolarHBondContact O-N 3.09Š|
| 544 | K | 29.2 | Very low | 28 | Very low | 195 Ų | 195 | 147.9 Ų | 147.9 | 85% | 0.848 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -121.8 | 11.9 | -179.8 | -99.3 | -178.8 | 179.1 | 178.8 | 0 | 119.3 | ||
| 545 | S | 24.9 | Very low | 28.2 | Very low | 118 Ų | 118 | 147.4 Ų | 147.4 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -120.3 | 10.5 | 178 | -45.1 | 0 | 0 | 0 | 0 | 115.7 | ||
| 546 | L | 27.3 | Very low | 28.7 | Very low | 158 Ų | 158 | 145.8 Ų | 145.8 | 83% | 0.827 | 75% | 0.749 | S | S | * | * | trans | -128.9 | 46.2 | 174.4 | -78.3 | 165.7 | 0 | 0 | 0 | 111.8 | I548 | L546-I548 VanDerWaalsContact C-N 3.25Š| ||
| 547 | N | 24.9 | Very low | 29.7 | Very low | 147 Ų | 147 | 144.4 Ų | 144.4 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | trans | -96.4 | 55.4 | 157.3 | -80.1 | -19.5 | 0 | 0 | 0 | 109.2 | T549 | N547-T549 PolarHBondContact O-N 3.2Š| ||
| 548 | I | 27.2 | Very low | 30.2 | Very low | 142 Ų | 142 | 141.9 Ų | 141.9 | 73% | 0.728 | 74% | 0.735 | S | S | * | * | trans | -86.6 | 102 | 153.6 | -69.2 | 176.7 | 0 | 0 | 0 | 104.9 | L546 I550 | L546-I548 VanDerWaalsContact C-N 3.25Å; I548-I550 PolarHBondContact O-N 2.9Å | ||
| 549 | T | 24.4 | Very low | 30.4 | Very low | 114 Ų | 114 | 142.7 Ų | 142.7 | 70% | 0.699 | 73% | 0.729 | S | S | * | * | trans | -33 | 92.2 | 169 | -52.4 | 0 | 0 | 0 | 0 | 112.7 | N547 N551 | N547-T549 PolarHBondContact O-N 3.2Å; T549-N551 VanDerWaalsContact C-N 3.28Å; T549-N551 HydrophobicContact CG2-CB 4.09Å; T549-N551 PolarHBondContact O-N 3Å | ||
| 550 | I | 28.7 | Very low | 31 | Very low | 163 Ų | 163 | 139.4 Ų | 139.4 | 84% | 0.836 | 72% | 0.719 | S | S | * | * | trans | -86.4 | 82.7 | 161.9 | -58.9 | 175.7 | 0 | 0 | 0 | 106 | I548 | I548-I550 PolarHBondContact O-N 2.9Š| ||
| 551 | N | 26.8 | Very low | 31.7 | Very low | 121 Ų | 121 | 139.9 Ų | 139.9 | 65% | 0.647 | 72% | 0.718 | S | S | * | * | trans | -86.1 | 128.9 | 165.8 | -127.6 | -32 | 0 | 0 | 0 | 107.5 | T549 | T549-N551 VanDerWaalsContact C-N 3.28Å; T549-N551 HydrophobicContact CG2-CB 4.09Å; T549-N551 PolarHBondContact O-N 3Å | ||
| 552 | R | 29.9 | Very low | 32.4 | Very low | 216 Ų | 216 | 137.8 Ų | 137.8 | 82% | 0.815 | 71% | 0.71 | S | S | * | * | S | Bend | trans | 94.4 | 102.3 | 161.6 | -54.6 | 170.6 | -176.4 | 167.3 | 0.8 | 116.8 | ||
| 553 | N | 30.7 | Very low | 32.6 | Very low | 163 Ų | 163 | 134.3 Ų | 134.3 | 87% | 0.872 | 70% | 0.699 | S | S | * | * | 25.8 | 97.8 | 128.9 | -90.8 | -15.2 | 0 | 0 | 0 | 115.6 | |||||
| 554 | L | 29.4 | Very low | 32.9 | Very low | 154 Ų | 154 | 130.5 Ų | 130.5 | 81% | 0.806 | 68% | 0.684 | S | S | * | * | trans | -135.9 | 129.8 | 152.6 | -145.7 | 70.7 | 0 | 0 | 0 | 108.5 | ||||
| 555 | D | 35.3 | Very low | 33.7 | Very low | 123 Ų | 123 | 125.7 Ų | 125.7 | 66% | 0.658 | 67% | 0.668 | S | S | * | * | trans | -57.2 | 146 | -156.4 | -62 | -53.1 | 0 | 0 | 0 | 115.1 | T557 S558 | D555-T557 PolarHBondContact O-N 3.02Å; D555-S558 PolarHBondContact O-N 3.27Å; D555-S558 PolarHBondContact O-OG 2.99Å | ||
| 556 | D | 36 | Very low | 34.1 | Very low | 116 Ų | 116 | 127.2 Ų | 127.2 | 62% | 0.62 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | 1.6 | -173.2 | -79.6 | -42.4 | 0 | 0 | 0 | 115.3 | K559 | D556-K559 IonicContact OD1-NZ 3.1Å; D556-K559 PolarHBondContact OD1-NZ 2.97Å |
| 557 | T | 44.7 | Very low | 34.7 | Very low | 111 Ų | 111 | 123.2 Ų | 123.2 | 68% | 0.681 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -78.3 | -22.2 | 176.3 | 42.6 | 0 | 0 | 0 | 0 | 113.7 | D555 T560 | D555-T557 PolarHBondContact O-N 3.02Å; T557-T560 PolarHBondContact O-OG1 3.42Å; T557-T560 VanDerWaalsContact O-OG1 3.12Å |
| 558 | S | 36.6 | Very low | 35.6 | Very low | 56 Ų | 56 | 123.6 Ų | 123.6 | 39% | 0.392 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -85.8 | -21.5 | 179.8 | 59.5 | 0 | 0 | 0 | 0 | 114.1 | D555 T560 E561 V562 | D555-S558 PolarHBondContact O-N 3.27Å; D555-S558 PolarHBondContact O-OG 2.99Å; S558-T560 VanDerWaalsContact C-N 3.31Å; S558-T560 PolarHBondContact O-N 3.03Å; S558-E561 PolarHBondContact O-N 2.89Å; S558-V562 WeakPolarHBondContact O-CG2 3.24Å; S558-V562 PolarHBondContact O-N 3.28Å |
| 559 | K | 35.9 | Very low | 36 | Very low | 136 Ų | 136 | 124.9 Ų | 124.9 | 59% | 0.591 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -65.8 | -34.9 | 177 | -76.8 | 178.2 | -171.5 | 150.4 | 0 | 112.3 | D556 L563 | D556-K559 IonicContact OD1-NZ 3.1Å; D556-K559 PolarHBondContact OD1-NZ 2.97Å; K559-L563 VanDerWaalsContact O-CB 3.28Å; K559-L563 WeakPolarHBondContact O-CB 3.49Å; K559-L563 PolarHBondContact O-N 3.12Å |
| 560 | T | 40.8 | Very low | 36.4 | Very low | 83 Ų | 83 | 126.9 Ų | 126.9 | 51% | 0.509 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -75.1 | -31.5 | 178.3 | 43.2 | 0 | 0 | 0 | 0 | 112.5 | T557 S558 N564 | T557-T560 PolarHBondContact O-OG1 3.42Å; T557-T560 VanDerWaalsContact O-OG1 3.12Å; S558-T560 VanDerWaalsContact C-N 3.31Å; S558-T560 PolarHBondContact O-N 3.03Å; T560-N564 WeakPolarHBondContact O-CB 3.41Å; T560-N564 VanDerWaalsContact O-CG 3.22Å; T560-N564 PolarHBondContact O-N 2.99Å; T560-N564 PolarHBondContact O-ND2 3.3Å |
| 561 | E | 40.9 | Very low | 36.7 | Very low | 135 Ų | 135 | 124.8 Ų | 124.8 | 63% | 0.631 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -72.6 | -43.1 | 174.2 | -83 | -175.8 | 160 | 0 | 0 | 111.7 | S558 L563 N564 D565 | S558-E561 PolarHBondContact O-N 2.89Å; E561-L563 VanDerWaalsContact C-N 3.33Å; E561-L563 PolarHBondContact O-N 3.31Å; E561-N564 CarbonylContact O-C 3.5Å; E561-N564 PolarHBondContact O-N 3.34Å; E561-D565 WeakPolarHBondContact O-CB 3.22Å; E561-D565 PolarHBondContact O-N 3.13Å |
| 562 | V | 42.6 | Very low | 37 | Very low | 84 Ų | 84 | 123 Ų | 123 | 51% | 0.509 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -65.7 | -38.6 | 176.7 | 179.5 | 0 | 0 | 0 | 0 | 111.1 | S558 D565 F566 | S558-V562 WeakPolarHBondContact O-CG2 3.24Å; S558-V562 PolarHBondContact O-N 3.28Å; V562-D565 PolarHBondContact O-N 3.16Å; V562-F566 HydrophobicContact CG1-CD2 4.03Å; V562-F566 HydrophobicContact CG1-CE2 4.23Å; V562-F566 WeakPolarHBondContact O-CD2 3.39Å; V562-F566 PolarHBondContact O-N 3.34Å |
| 563 | L | 37.4 | Very low | 37 | Very low | 110 Ų | 110 | 117.7 Ų | 117.7 | 58% | 0.576 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -67.7 | -38.5 | 175.4 | -170.4 | 64.9 | 0 | 0 | 0 | 111.9 | K559 E561 F566 I567 | K559-L563 VanDerWaalsContact O-CB 3.28Å; K559-L563 WeakPolarHBondContact O-CB 3.49Å; K559-L563 PolarHBondContact O-N 3.12Å; E561-L563 VanDerWaalsContact C-N 3.33Å; E561-L563 PolarHBondContact O-N 3.31Å; L563-F566 PolarHBondContact O-N 3.04Å; L563-I567 HydrophobicContact CG-CD1 4.28Å; L563-I567 VanDerWaalsContact O-CG1 3.32Å; L563-I567 WeakPolarHBondContact O-CG1 3.38Å; L563-I567 PolarHBondContact O-N 2.96Å |
| 564 | N | 38.4 | Very low | 36.9 | Very low | 95 Ų | 95 | 114 Ų | 114 | 51% | 0.508 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -73 | -29.3 | 176 | -78.8 | -24 | 0 | 0 | 0 | 113 | T560 E561 I567 K568 | T560-N564 WeakPolarHBondContact O-CB 3.41Å; T560-N564 VanDerWaalsContact O-CG 3.22Å; T560-N564 PolarHBondContact O-N 2.99Å; T560-N564 PolarHBondContact O-ND2 3.3Å; E561-N564 CarbonylContact O-C 3.5Å; E561-N564 PolarHBondContact O-N 3.34Å; N564-I567 PolarHBondContact O-N 3.39Å; N564-K568 VanDerWaalsContact O-CB 3.31Å; N564-K568 WeakPolarHBondContact O-CB 3.49Å; N564-K568 PolarHBondContact O-N 2.84Å |
| 565 | D | 44.3 | Very low | 37 | Very low | 94 Ų | 94 | 112.2 Ų | 112.2 | 50% | 0.503 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -70.9 | -35.7 | 171.3 | -79.1 | -13 | 0 | 0 | 0 | 110.9 | E561 V562 K568 F569 | E561-D565 WeakPolarHBondContact O-CB 3.22Å; E561-D565 PolarHBondContact O-N 3.13Å; V562-D565 PolarHBondContact O-N 3.16Å; D565-K568 PolarHBondContact O-N 3.32Å; D565-F569 WeakPolarHBondContact O-CB 3.4Å; D565-F569 PolarHBondContact O-N 3.32Å |
| 566 | F | 34.8 | Very low | 36.6 | Very low | 151 Ų | 151 | 113.3 Ų | 113.3 | 66% | 0.662 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.6 | -39.7 | 170.3 | -97.2 | -84.9 | 0 | 0 | 0 | 112.3 | V562 L563 F569 E570 | V562-F566 HydrophobicContact CG1-CD2 4.03Å; V562-F566 HydrophobicContact CG1-CE2 4.23Å; V562-F566 WeakPolarHBondContact O-CD2 3.39Å; V562-F566 PolarHBondContact O-N 3.34Å; L563-F566 PolarHBondContact O-N 3.04Å; F566-F569 PolarHBondContact O-N 3.05Å; F566-E570 PolarHBondContact O-N 3.11Å |
| 567 | I | 39.7 | Very low | 36.1 | Very low | 74 Ų | 74 | 116.7 Ų | 116.7 | 38% | 0.379 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -73.5 | -33.8 | 176.2 | -65.3 | 167 | 0 | 0 | 0 | 111.5 | L563 N564 F569 E570 N571 | L563-I567 HydrophobicContact CG-CD1 4.28Å; L563-I567 VanDerWaalsContact O-CG1 3.32Å; L563-I567 WeakPolarHBondContact O-CG1 3.38Å; L563-I567 PolarHBondContact O-N 2.96Å; N564-I567 PolarHBondContact O-N 3.39Å; I567-F569 VanDerWaalsContact C-N 3.32Å; I567-E570 PolarHBondContact O-N 3.41Å; I567-N571 PolarHBondContact O-N 3.17Å |
| 568 | K | 42.2 | Very low | 35.2 | Very low | 154 Ų | 154 | 116.1 Ų | 116.1 | 67% | 0.67 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -65.5 | -35.9 | 171.9 | -104 | -179.7 | 174.9 | 175.4 | 0 | 111.8 | N564 D565 E570 N571 A572 | N564-K568 VanDerWaalsContact O-CB 3.31Å; N564-K568 WeakPolarHBondContact O-CB 3.49Å; N564-K568 PolarHBondContact O-N 2.84Å; D565-K568 PolarHBondContact O-N 3.32Å; K568-E570 VanDerWaalsContact C-N 3.26Å; K568-E570 PolarHBondContact O-N 2.94Å; K568-N571 PolarHBondContact O-N 3.38Å; K568-A572 VanDerWaalsContact O-CB 3.3Å; K568-A572 WeakPolarHBondContact O-CB 3.2Å; K568-A572 PolarHBondContact O-N 3.02Å |
| 569 | F | 35.7 | Very low | 34.8 | Very low | 169 Ų | 169 | 119.4 Ų | 119.4 | 74% | 0.741 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -66.1 | -29.9 | 173.7 | -107.1 | -81.7 | 0 | 0 | 0 | 112.7 | D565 F566 I567 | D565-F569 WeakPolarHBondContact O-CB 3.4Å; D565-F569 PolarHBondContact O-N 3.32Å; F566-F569 PolarHBondContact O-N 3.05Å; I567-F569 VanDerWaalsContact C-N 3.32Å |
| 570 | E | 34.5 | Very low | 34.3 | Very low | 156 Ų | 156 | 120.6 Ų | 120.6 | 73% | 0.729 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -77.9 | -34.7 | 176 | -140.4 | 178.3 | -170.6 | 0 | 0 | 112.5 | F566 I567 K568 | F566-E570 PolarHBondContact O-N 3.11Å; I567-E570 PolarHBondContact O-N 3.41Å; K568-E570 VanDerWaalsContact C-N 3.26Å; K568-E570 PolarHBondContact O-N 2.94Å |
| 571 | N | 34.3 | Very low | 33.6 | Very low | 120 Ų | 120 | 121.6 Ų | 121.6 | 64% | 0.642 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -92 | -12.4 | -175.8 | -73 | -27.3 | 0 | 0 | 0 | 115.5 | I567 K568 V573 | I567-N571 PolarHBondContact O-N 3.17Å; K568-N571 PolarHBondContact O-N 3.38Å; N571-V573 VanDerWaalsContact C-N 3.3Å; N571-V573 PolarHBondContact O-N 2.96Å |
| 572 | A | 33.7 | Very low | 33.2 | Very low | 83 Ų | 83 | 124.9 Ų | 124.9 | 69% | 0.686 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -1.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | K568 | K568-A572 VanDerWaalsContact O-CB 3.3Å; K568-A572 WeakPolarHBondContact O-CB 3.2Å; K568-A572 PolarHBondContact O-N 3.02Å |
| 573 | V | 30.3 | Very low | 32.3 | Very low | 104 Ų | 104 | 130 Ų | 130 | 63% | 0.63 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | 3.6 | -176.5 | -175.9 | 0 | 0 | 0 | 0 | 113 | N571 | N571-V573 VanDerWaalsContact C-N 3.3Å; N571-V573 PolarHBondContact O-N 2.96Å |
| 574 | A | 28.2 | Very low | 31.8 | Very low | 85 Ų | 85 | 136.1 Ų | 136.1 | 70% | 0.702 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -99.3 | 26.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 575 | V | 30.3 | Very low | 31.2 | Very low | 118 Ų | 118 | 141.4 Ų | 141.4 | 72% | 0.715 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -147.6 | 134.1 | 167 | -173.7 | 0 | 0 | 0 | 0 | 108.7 | ||
| 576 | D | 27.3 | Very low | 30.4 | Very low | 146 Ų | 146 | 141.8 Ų | 141.8 | 78% | 0.781 | 73% | 0.733 | S | S | * | * | trans | 72.9 | 71.6 | 171.8 | -60 | -19.2 | 0 | 0 | 0 | 119 | ||||
| 577 | Q | 26.1 | Very low | 30 | Very low | 186 Ų | 186 | 140 Ų | 140 | 87% | 0.869 | 74% | 0.738 | S | S | * | * | trans | -126.6 | 72.3 | 149.4 | -70.1 | -174 | 25.5 | 0 | 0 | 110.4 | ||||
| 578 | S | 24.7 | Very low | 29.7 | Very low | 99 Ų | 99 | 141.7 Ų | 141.7 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | trans | -109.1 | 131.5 | 150 | 86.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 579 | T | 28.4 | Very low | 29.2 | Very low | 126 Ų | 126 | 141.8 Ų | 141.8 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | S | Bend | trans | 87 | 119.2 | 175.3 | 80.1 | 0 | 0 | 0 | 0 | 117.8 | ||
| 580 | N | 25 | Very low | 29.5 | Very low | 161 Ų | 161 | 137.9 Ų | 137.9 | 86% | 0.861 | 75% | 0.746 | S | S | * | * | trans | 72.7 | 78.5 | 155.3 | -68.7 | -33.3 | 0 | 0 | 0 | 120.1 | ||||
| 581 | A | 27.6 | Very low | 29.6 | Very low | 104 Ų | 104 | 138.3 Ų | 138.3 | 86% | 0.86 | 75% | 0.746 | S | S | * | * | trans | -142.2 | 105.5 | 145.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R583 | A581-R583 PolarHBondContact O-N 2.85Å; A581-R583 VanDerWaalsContact O-N 3.1Å | ||
| 582 | K | 30.8 | Very low | 29.6 | Very low | 203 Ų | 203 | 138.1 Ų | 138.1 | 88% | 0.883 | 74% | 0.741 | S | S | * | * | trans | -55.4 | 107.2 | 167 | -70.8 | 165.1 | 175.8 | 170.8 | 0 | 110.3 | R584 | K582-R584 PolarHBondContact O-N 3.18Å; K582-R584 VanDerWaalsContact O-N 3.15Å | ||
| 583 | R | 24.4 | Very low | 29.8 | Very low | 191 Ų | 191 | 140.3 Ų | 140.3 | 72% | 0.721 | 74% | 0.737 | S | S | * | * | trans | 26.1 | 78.1 | 137.4 | -165.6 | -179.8 | 171 | -169.7 | -3.4 | 115.9 | A581 R585 | A581-R583 PolarHBondContact O-N 2.85Å; A581-R583 VanDerWaalsContact O-N 3.1Å; R583-R585 HydrophobicContact CG-CG 4.33Å | ||
| 584 | R | 26.3 | Very low | 30.5 | Very low | 240 Ų | 240 | 140.6 Ų | 140.6 | 91% | 0.906 | 73% | 0.734 | S | S | * | * | trans | -106.6 | 99.9 | 151.5 | -70.9 | -173.1 | 78.6 | 133.9 | -0.8 | 108 | K582 S586 | K582-R584 PolarHBondContact O-N 3.18Å; K582-R584 VanDerWaalsContact O-N 3.15Å; R584-S586 PolarHBondContact O-N 3.38Å; R584-S586 VanDerWaalsContact O-N 3.11Å | ||
| 585 | R | 27.3 | Very low | 30.9 | Very low | 205 Ų | 205 | 142.1 Ų | 142.1 | 77% | 0.774 | 73% | 0.726 | S | S | * | * | trans | -76.1 | 90.5 | 175.5 | -68.2 | 179.4 | 179.8 | 176 | -3.1 | 108.7 | R583 C587 | R583-R585 HydrophobicContact CG-CG 4.33Å; R585-C587 PolarHBondContact O-N 2.93Å | ||
| 586 | S | 27.7 | Very low | 31.3 | Very low | 103 Ų | 103 | 143 Ų | 143 | 72% | 0.72 | 72% | 0.721 | S | S | * | * | trans | -80.5 | 111.6 | 166.9 | 44.1 | 0 | 0 | 0 | 0 | 109.7 | R584 T588 | R584-S586 PolarHBondContact O-N 3.38Å; R584-S586 VanDerWaalsContact O-N 3.11Å; S586-T588 PolarHBondContact O-N 3.31Å | ||
| 587 | C | 25.7 | Very low | 31.9 | Very low | 112 Ų | 112 | 143.8 Ų | 143.8 | 76% | 0.757 | 71% | 0.714 | S | S | * | * | trans | 10.6 | 95.1 | 148.9 | 169.7 | 0 | 0 | 0 | 0 | 117.3 | R585 | R585-C587 PolarHBondContact O-N 2.93Š| ||
| 588 | T | 32.2 | Very low | 32.8 | Very low | 111 Ų | 111 | 139.9 Ų | 139.9 | 68% | 0.681 | 70% | 0.696 | S | S | * | * | trans | -100.8 | 25 | 165.4 | 48.1 | 0 | 0 | 0 | 0 | 112.5 | S586 S590 | S586-T588 PolarHBondContact O-N 3.31Å; T588-S590 PolarHBondContact O-N 2.85Å | ||
| 589 | K | 32 | Very low | 33.6 | Very low | 155 Ų | 155 | 139.9 Ų | 139.9 | 67% | 0.674 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -73.9 | -20.4 | -171 | -90 | -177.5 | 174.3 | 179.3 | 0 | 115.4 | Q593 | K589-Q593 PolarHBondContact O-N 2.81Å |
| 590 | S | 41.9 | Very low | 34.4 | Very low | 87 Ų | 87 | 138 Ų | 138 | 61% | 0.608 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -70 | -37.1 | -179.3 | 59.7 | 0 | 0 | 0 | 0 | 113 | T588 Q593 I594 | T588-S590 PolarHBondContact O-N 2.85Å; S590-Q593 PolarHBondContact O-N 3.45Å; S590-I594 PolarHBondContact O-N 3.3Å |
| 591 | K | 37 | Very low | 35.7 | Very low | 166 Ų | 166 | 135.4 Ų | 135.4 | 72% | 0.722 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -65.3 | -38.8 | 177 | -88 | -176.6 | 174.5 | 179.4 | 0 | 112.8 | Q593 I594 Q595 | K591-Q593 VanDerWaalsContact C-N 3.3Å; K591-Q593 PolarHBondContact O-N 3.23Å; K591-I594 PolarHBondContact O-N 2.94Å; K591-Q595 WeakPolarHBondContact O-CB 3.42Å; K591-Q595 PolarHBondContact O-N 2.91Å |
| 592 | Q | 35.6 | Very low | 36.5 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 54% | 0.542 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -65.3 | -34.9 | 178.6 | -70.8 | -176.4 | -14.7 | 0 | 0 | 112.1 | Q595 F596 | Q592-Q595 PolarHBondContact O-N 3.33Å; Q592-F596 WeakPolarHBondContact O-CB 3.26Å; Q592-F596 WeakPolarHBondContact O-CD2 3.44Å; Q592-F596 PolarHBondContact O-N 3.47Å |
| 593 | Q | 37.1 | Very low | 37.2 | Very low | 128 Ų | 128 | 129.6 Ų | 129.6 | 60% | 0.598 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -69.1 | -41.1 | 179.5 | -169.9 | 155 | -14.2 | 0 | 0 | 112.3 | K589 S590 K591 F596 Y597 | K589-Q593 PolarHBondContact O-N 2.81Å; S590-Q593 PolarHBondContact O-N 3.45Å; K591-Q593 VanDerWaalsContact C-N 3.3Å; K591-Q593 PolarHBondContact O-N 3.23Å; Q593-F596 PolarHBondContact O-N 3.04Å; Q593-Y597 HydrophobicContact CG-CD2 4.31Å; Q593-Y597 HydrophobicContact CG-CE2 4.42Å; Q593-Y597 WeakPolarHBondContact O-CD2 3.42Å; Q593-Y597 PolarHBondContact O-N 2.67Å; Q593-Y597 VanDerWaalsContact O-N 3.1Å |
| 594 | I | 43.9 | Very low | 38.1 | Very low | 111 Ų | 111 | 122.2 Ų | 122.2 | 57% | 0.569 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64 | -44.7 | 174.8 | -60.9 | 168.7 | 0 | 0 | 0 | 110 | S590 K591 F596 Y597 E598 | S590-I594 PolarHBondContact O-N 3.3Å; K591-I594 PolarHBondContact O-N 2.94Å; I594-F596 VanDerWaalsContact C-N 3.35Å; I594-F596 PolarHBondContact O-N 3.48Å; I594-Y597 PolarHBondContact O-N 2.91Å; I594-E598 PolarHBondContact O-N 3.35Å |
| 595 | Q | 38.4 | Very low | 39.1 | Very low | 116 Ų | 116 | 114.7 Ų | 114.7 | 54% | 0.542 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.5 | -35.5 | 179.6 | -165 | 157.6 | 13.9 | 0 | 0 | 112.8 | K591 Q592 E598 E599 | K591-Q595 WeakPolarHBondContact O-CB 3.42Å; K591-Q595 PolarHBondContact O-N 2.91Å; Q592-Q595 PolarHBondContact O-N 3.33Å; Q595-E598 PolarHBondContact O-N 2.62Å; Q595-E599 WeakPolarHBondContact O-CB 3.25Å; Q595-E599 PolarHBondContact O-N 2.89Å |
| 596 | F | 37.8 | Very low | 40 | Very low | 138 Ų | 138 | 108.9 Ų | 108.9 | 61% | 0.605 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.7 | -40.4 | 173.9 | -105.3 | -77.8 | 0 | 0 | 0 | 112.7 | Q592 Q593 I594 E599 L600 | Q592-F596 WeakPolarHBondContact O-CB 3.26Å; Q592-F596 WeakPolarHBondContact O-CD2 3.44Å; Q592-F596 PolarHBondContact O-N 3.47Å; Q593-F596 PolarHBondContact O-N 3.04Å; I594-F596 VanDerWaalsContact C-N 3.35Å; I594-F596 PolarHBondContact O-N 3.48Å; F596-E599 PolarHBondContact O-N 2.84Å; F596-L600 WeakPolarHBondContact O-CB 3.37Å; F596-L600 PolarHBondContact O-N 3.36Å |
| 597 | Y | 39.4 | Very low | 40.9 | Very low | 161 Ų | 161 | 104.7 Ų | 104.7 | 63% | 0.631 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.3 | -40.3 | 175.1 | -94.4 | -81.1 | 0 | 0 | 0 | 111.2 | Q593 I594 L600 N601 | Q593-Y597 HydrophobicContact CG-CD2 4.31Å; Q593-Y597 HydrophobicContact CG-CE2 4.42Å; Q593-Y597 WeakPolarHBondContact O-CD2 3.42Å; Q593-Y597 PolarHBondContact O-N 2.67Å; Q593-Y597 VanDerWaalsContact O-N 3.1Å; I594-Y597 PolarHBondContact O-N 2.91Å; Y597-L600 PolarHBondContact O-N 3.3Å; Y597-N601 VanDerWaalsContact O-CB 3.3Å; Y597-N601 WeakPolarHBondContact O-CB 3.47Å; Y597-N601 PolarHBondContact O-N 3.19Å |
| 598 | E | 45.8 | Very low | 41.8 | Very low | 105 Ų | 105 | 105.5 Ų | 105.5 | 49% | 0.491 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 172.3 | -85 | -169.7 | 170 | 0 | 0 | 112.5 | I594 Q595 N601 K602 | I594-E598 PolarHBondContact O-N 3.35Å; Q595-E598 PolarHBondContact O-N 2.62Å; E598-N601 PolarHBondContact O-N 3.33Å; E598-K602 WeakPolarHBondContact O-CB 3.43Å; E598-K602 VanDerWaalsContact O-CG 3.26Å; E598-K602 WeakPolarHBondContact O-CG 3.46Å; E598-K602 PolarHBondContact O-N 3.36Å |
| 599 | E | 41.7 | Very low | 42.5 | Very low | 99 Ų | 99 | 107.6 Ų | 107.6 | 46% | 0.463 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 176.8 | -86.7 | -172.3 | 171.3 | 0 | 0 | 111.9 | Q595 F596 N601 K602 H603 | Q595-E599 WeakPolarHBondContact O-CB 3.25Å; Q595-E599 PolarHBondContact O-N 2.89Å; F596-E599 PolarHBondContact O-N 2.84Å; E599-N601 VanDerWaalsContact C-N 3.3Å; E599-N601 PolarHBondContact O-N 3.48Å; E599-K602 PolarHBondContact O-N 2.77Å; E599-H603 WeakPolarHBondContact O-CB 3.41Å; E599-H603 PolarHBondContact O-N 3.25Å |
| 600 | L | 44.9 | Very low | 43.1 | Very low | 86 Ų | 86 | 104.6 Ų | 104.6 | 45% | 0.45 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67 | -35.9 | 178.1 | -163 | 144.2 | 0 | 0 | 0 | 111.1 | F596 Y597 H603 N604 | F596-L600 WeakPolarHBondContact O-CB 3.37Å; F596-L600 PolarHBondContact O-N 3.36Å; Y597-L600 PolarHBondContact O-N 3.3Å; L600-H603 PolarHBondContact O-N 2.84Å; L600-N604 VanDerWaalsContact O-CG 3.3Å; L600-N604 PolarHBondContact O-N 3.12Å; L600-N604 PolarHBondContact O-ND2 3.19Å |
| 601 | N | 51.5 | Low | 42.9 | Very low | 107 Ų | 107 | 103.7 Ų | 103.7 | 57% | 0.572 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69.8 | -47.6 | 175.4 | -149.2 | 43.6 | 0 | 0 | 0 | 111.3 | Y597 E598 E599 H603 N604 T605 | Y597-N601 VanDerWaalsContact O-CB 3.3Å; Y597-N601 WeakPolarHBondContact O-CB 3.47Å; Y597-N601 PolarHBondContact O-N 3.19Å; E598-N601 PolarHBondContact O-N 3.33Å; E599-N601 VanDerWaalsContact C-N 3.3Å; E599-N601 PolarHBondContact O-N 3.48Å; N601-H603 PolarHBondContact O-N 2.98Å; N601-N604 PolarHBondContact O-N 3.13Å; N601-T605 PolarHBondContact O-N 3.15Å; N601-T605 PolarHBondContact O-OG1 2.69Å |
| 602 | K | 45.5 | Very low | 43 | Very low | 130 Ų | 130 | 98.6 Ų | 98.6 | 57% | 0.565 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -55.4 | -38.5 | 172 | -76.2 | 172.5 | -179.3 | 170.1 | 0 | 111.7 | E598 E599 T605 L606 | E598-K602 WeakPolarHBondContact O-CB 3.43Å; E598-K602 VanDerWaalsContact O-CG 3.26Å; E598-K602 WeakPolarHBondContact O-CG 3.46Å; E598-K602 PolarHBondContact O-N 3.36Å; E599-K602 PolarHBondContact O-N 2.77Å; K602-T605 PolarHBondContact O-N 3.31Å; K602-L606 WeakPolarHBondContact O-CB 3.39Å; K602-L606 PolarHBondContact O-N 2.99Å |
| 603 | H | 45.3 | Very low | 43.3 | Very low | 55 Ų | 55 | 97.3 Ų | 97.3 | 26% | 0.255 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.6 | -44.6 | 177.7 | -178.9 | 61.7 | 0 | 0 | 0 | 112.6 | E599 L600 N601 T605 L606 I607 | E599-H603 WeakPolarHBondContact O-CB 3.41Å; E599-H603 PolarHBondContact O-N 3.25Å; L600-H603 PolarHBondContact O-N 2.84Å; N601-H603 PolarHBondContact O-N 2.98Å; H603-T605 VanDerWaalsContact C-N 3.3Å; H603-T605 PolarHBondContact O-N 3.3Å; H603-L606 PolarHBondContact O-N 3.22Å; H603-I607 WeakPolarHBondContact NE2-CD1 3.15Å; H603-I607 WeakPolarHBondContact O-CG1 3.5Å; H603-I607 PolarHBondContact O-N 3.13Å |
| 604 | N | 43 | Very low | 43.4 | Very low | 35 Ų | 35 | 91.7 Ų | 91.7 | 19% | 0.187 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -63.6 | -38 | 174.1 | -69.8 | -17.6 | 0 | 0 | 0 | 111.3 | L600 N601 I607 M608 I614 | L600-N604 VanDerWaalsContact O-CG 3.3Å; L600-N604 PolarHBondContact O-N 3.12Å; L600-N604 PolarHBondContact O-ND2 3.19Å; N601-N604 PolarHBondContact O-N 3.13Å; N604-I607 PolarHBondContact O-N 3.06Å; N604-M608 VanDerWaalsContact O-CG 3.29Å; N604-M608 WeakPolarHBondContact O-CG 3.39Å; N604-M608 PolarHBondContact O-N 3.37Å; N604-M608 VanDerWaalsContact O-N 3.1Å; N604-I614 HydrophobicContact CB-CD1 4.14Å |
| 605 | T | 48 | Very low | 42.8 | Very low | 82 Ų | 82 | 88.4 Ų | 88.4 | 50% | 0.503 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 173.2 | -48.9 | 0 | 0 | 0 | 0 | 111.5 | N601 K602 H603 M608 E609 | N601-T605 PolarHBondContact O-N 3.15Å; N601-T605 PolarHBondContact O-OG1 2.69Å; K602-T605 PolarHBondContact O-N 3.31Å; H603-T605 VanDerWaalsContact C-N 3.3Å; H603-T605 PolarHBondContact O-N 3.3Å; T605-M608 PolarHBondContact O-N 3.45Å; T605-E609 WeakPolarHBondContact O-CB 3.27Å; T605-E609 PolarHBondContact O-N 3.3Å |
| 606 | L | 46 | Very low | 42.6 | Very low | 83 Ų | 83 | 82.9 Ų | 82.9 | 44% | 0.435 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.6 | -36.2 | 177.6 | -100.5 | 161.7 | 0 | 0 | 0 | 113.6 | K602 H603 N610 | K602-L606 WeakPolarHBondContact O-CB 3.39Å; K602-L606 PolarHBondContact O-N 2.99Å; H603-L606 PolarHBondContact O-N 3.22Å; L606-N610 WeakPolarHBondContact O-CB 3.36Å; L606-N610 PolarHBondContact O-N 3.05Å; L606-N610 VanDerWaalsContact O-N 3.11Å; L606-N610 PolarHBondContact O-ND2 3.48Å |
| 607 | I | 46.2 | Very low | 42.7 | Very low | 15 Ų | 15 | 78.9 Ų | 78.9 | 8% | 0.077 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -66.3 | -42.4 | 175.4 | -70.2 | 167.6 | 0 | 0 | 0 | 110 | H603 N604 N610 G611 L612 I614 Y634 | H603-I607 WeakPolarHBondContact NE2-CD1 3.15Å; H603-I607 WeakPolarHBondContact O-CG1 3.5Å; H603-I607 PolarHBondContact O-N 3.13Å; N604-I607 PolarHBondContact O-N 3.06Å; I607-N610 PolarHBondContact O-N 3.48Å; I607-G611 PolarHBondContact O-N 3.35Å; I607-L612 HydrophobicContact CG2-CB 3.99Å; I607-L612 WeakPolarHBondContact CG2-O 3.49Å; I607-L612 PolarHBondContact O-N 3.41Å; I607-L612 VanDerWaalsContact O-N 3.08Å; I607-I614 HydrophobicContact CB-CG1 4.26Å; I607-I614 HydrophobicContact CG2-CD1 4.37Å; I607-I614 HydrophobicContact CG2-CG1 3.56Å; I607-Y634 HydrophobicContact CG1-CE2 4.42Å |
| 608 | M | 45.4 | Very low | 42.3 | Very low | 130 Ų | 130 | 74.9 Ų | 74.9 | 64% | 0.64 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -66.9 | -39.9 | 175.5 | -66.7 | -121.8 | -60.1 | 0 | 0 | 112.7 | N604 T605 N610 G611 I614 | N604-M608 VanDerWaalsContact O-CG 3.29Å; N604-M608 WeakPolarHBondContact O-CG 3.39Å; N604-M608 PolarHBondContact O-N 3.37Å; N604-M608 VanDerWaalsContact O-N 3.1Å; T605-M608 PolarHBondContact O-N 3.45Å; M608-N610 VanDerWaalsContact C-N 3.29Å; M608-N610 PolarHBondContact O-N 2.97Å; M608-G611 PolarHBondContact O-N 3.06Å; M608-G611 VanDerWaalsContact O-N 3.12Å; M608-I614 HydrophobicContact CG-CD1 4.42Å |
| 609 | E | 45.4 | Very low | 41.8 | Very low | 154 Ų | 154 | 75.8 Ų | 75.8 | 72% | 0.72 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -65.8 | -33.3 | 179.2 | -166.3 | -179.4 | -166.6 | 0 | 0 | 111.9 | T605 G611 | T605-E609 WeakPolarHBondContact O-CB 3.27Å; T605-E609 PolarHBondContact O-N 3.3Å; E609-G611 VanDerWaalsContact C-N 3.27Å; E609-G611 PolarHBondContact O-N 2.98Å |
| 610 | N | 44.5 | Very low | 41.5 | Very low | 93 Ų | 93 | 75.9 Ų | 75.9 | 50% | 0.497 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 9.4 | 175.3 | -67 | -53.3 | 0 | 0 | 0 | 113.7 | L606 I607 M608 L612 | L606-N610 WeakPolarHBondContact O-CB 3.36Å; L606-N610 PolarHBondContact O-N 3.05Å; L606-N610 VanDerWaalsContact O-N 3.11Å; L606-N610 PolarHBondContact O-ND2 3.48Å; I607-N610 PolarHBondContact O-N 3.48Å; M608-N610 VanDerWaalsContact C-N 3.29Å; M608-N610 PolarHBondContact O-N 2.97Å; N610-L612 VanDerWaalsContact C-N 3.27Å; N610-L612 HydrophobicContact CB-CD1 4.44Å; N610-L612 PolarHBondContact O-N 3.25Å |
| 611 | G | 39.4 | Very low | 41 | Very low | 68 Ų | 68 | 73.3 Ų | 73.3 | 70% | 0.701 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.3 | 16.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | I607 M608 E609 | I607-G611 PolarHBondContact O-N 3.35Å; M608-G611 PolarHBondContact O-N 3.06Å; M608-G611 VanDerWaalsContact O-N 3.12Å; E609-G611 VanDerWaalsContact C-N 3.27Å; E609-G611 PolarHBondContact O-N 2.98Å |
| 612 | L | 37.8 | Very low | 40.4 | Very low | 59 Ų | 59 | 68.8 Ų | 68.8 | 31% | 0.309 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -94.6 | 133.7 | 179.2 | -79.7 | 150.4 | 0 | 0 | 0 | 110.4 | I607 N610 W637 | I607-L612 HydrophobicContact CG2-CB 3.99Å; I607-L612 WeakPolarHBondContact CG2-O 3.49Å; I607-L612 PolarHBondContact O-N 3.41Å; I607-L612 VanDerWaalsContact O-N 3.08Å; N610-L612 VanDerWaalsContact C-N 3.27Å; N610-L612 HydrophobicContact CB-CD1 4.44Å; N610-L612 PolarHBondContact O-N 3.25Å; L612-W637 HydrophobicContact CD2-CE3 3.63Å; L612-W637 HydrophobicContact CD2-CZ3 3.68Å |
| 613 | S | 42.1 | Very low | 40 | Very low | 89 Ų | 89 | 65.8 Ų | 65.8 | 62% | 0.622 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -80.5 | 133.7 | 179.2 | -49.9 | 0 | 0 | 0 | 0 | 111.9 | ||
| 614 | I | 39.8 | Very low | 39.7 | Very low | 10 Ų | 10 | 66.2 Ų | 66.2 | 5% | 0.051 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -79.5 | 124.7 | 177.9 | -57.2 | 171.1 | 0 | 0 | 0 | 109 | N604 I607 M608 Q619 L621 | N604-I614 HydrophobicContact CB-CD1 4.14Å; I607-I614 HydrophobicContact CB-CG1 4.26Å; I607-I614 HydrophobicContact CG2-CD1 4.37Å; I607-I614 HydrophobicContact CG2-CG1 3.56Å; M608-I614 HydrophobicContact CG-CD1 4.42Å; I614-Q619 WeakPolarHBondContact CB-O 3.35Å; I614-L621 HydrophobicContact CG2-CB 4.12Å; I614-L621 HydrophobicContact CG2-CD1 4.05Å; I614-L621 HydrophobicContact CG2-CG 3.64Å |
| 615 | P | 31.7 | Very low | 39.2 | Very low | 41 Ų | 41 | 66.3 Ų | 66.3 | 27% | 0.266 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -57.5 | 147.7 | 177.4 | -21.3 | 28.8 | 0 | 0 | 0 | 111.9 | R620 L621 P622 Y768 | P615-R620 CarbonylContact O-C 3.55Å; P615-L621 HydrophobicContact CB-CD2 4.2Å; P615-L621 HydrophobicContact CG-CD2 3.83Å; P615-L621 WeakPolarHBondContact O-CA 3.41Å; P615-L621 PolarHBondContact O-N 3.13Å; P615-P622 WeakPolarHBondContact O-CD 3.48Å; P615-Y768 HydrophobicContact CB-CD2 4.39Å |
| 616 | G | 34.4 | Very low | 38.4 | Very low | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.01 | 35% | 0.346 | C | S | . | . | S | Bend | trans | 109.1 | 160.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115 | V618 Q619 R620 | G616-V618 PolarHBondContact O-N 3.49Å; G616-Q619 PolarHBondContact O-N 3.1Å; G616-Q619 VanDerWaalsContact O-N 3.08Å; G616-R620 WeakPolarHBondContact CA-O 3.31Å |
| 617 | S | 38 | Very low | 37.7 | Very low | 53 Ų | 53 | 62.6 Ų | 62.6 | 37% | 0.371 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -22.6 | -162.7 | -15.4 | 0 | 0 | 0 | 0 | 118.2 | Y768 A769 | S617-Y768 PolarHBondContact N-O 3.08Å; S617-A769 VanDerWaalsContact CA-CB 3.47Å; S617-A769 WeakPolarHBondContact CB-O 3.25Å; S617-A769 WeakPolarHBondContact OG-CA 3.46Å; S617-A769 PolarHBondContact OG-O 3.39Å |
| 618 | V | 31.6 | Very low | 37.1 | Very low | 78 Ų | 78 | 64 Ų | 64 | 47% | 0.473 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.3 | 31 | -169.5 | -159.1 | 0 | 0 | 0 | 0 | 109.3 | G616 R620 | G616-V618 PolarHBondContact O-N 3.49Å; V618-R620 HydrophobicContact CB-CB 4.42Å; V618-R620 PolarHBondContact O-N 3.29Å; V618-R620 VanDerWaalsContact O-N 3.16Å |
| 619 | Q | 36.7 | Very low | 36.6 | Very low | 124 Ų | 124 | 60 Ų | 60 | 58% | 0.579 | 34% | 0.338 | S | S | * | . | S | Bend | trans | 50.3 | 42.1 | -169.7 | -63.8 | 172.4 | -6 | 0 | 0 | 110.4 | I614 G616 | I614-Q619 WeakPolarHBondContact CB-O 3.35Å; G616-Q619 PolarHBondContact O-N 3.1Å; G616-Q619 VanDerWaalsContact O-N 3.08Å |
| 620 | R | 34.2 | Very low | 36.2 | Very low | 101 Ų | 101 | 53.5 Ų | 53.5 | 38% | 0.381 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -139.5 | 123.1 | -176 | -176.9 | -170.9 | -178.9 | -172.6 | 10.6 | 107.9 | P615 G616 V618 P622 N623 R776 | P615-R620 CarbonylContact O-C 3.55Å; G616-R620 WeakPolarHBondContact CA-O 3.31Å; V618-R620 HydrophobicContact CB-CB 4.42Å; V618-R620 PolarHBondContact O-N 3.29Å; V618-R620 VanDerWaalsContact O-N 3.16Å; R620-P622 VanDerWaalsContact O-N 3.15Å; R620-N623 PolarHBondContact NE-OD1 3.34Å; R620-N623 PolarHBondContact NH2-ND2 2.96Å; R620-N623 PolarHBondContact NH2-OD1 3.49Å; R620-R776 VanDerWaalsContact CZ-NH1 3.26Å |
| 621 | L | 35.3 | Very low | 35.6 | Very low | 32 Ų | 32 | 56 Ų | 56 | 17% | 0.168 | 31% | 0.313 | C | S | . | . | trans | -46.1 | 123.4 | 173.2 | -85.2 | 152.4 | 0 | 0 | 0 | 108.1 | I614 P615 N623 I625 A630 R776 | I614-L621 HydrophobicContact CG2-CB 4.12Å; I614-L621 HydrophobicContact CG2-CD1 4.05Å; I614-L621 HydrophobicContact CG2-CG 3.64Å; P615-L621 HydrophobicContact CB-CD2 4.2Å; P615-L621 HydrophobicContact CG-CD2 3.83Å; P615-L621 WeakPolarHBondContact O-CA 3.41Å; P615-L621 PolarHBondContact O-N 3.13Å; L621-N623 PolarHBondContact O-N 2.85Å; L621-N623 VanDerWaalsContact O-N 3.13Å; L621-I625 HydrophobicContact CD2-CD1 4.46Å; L621-I625 HydrophobicContact CD2-CG2 4.22Å; L621-A630 HydrophobicContact CD1-CB 4.02Å; L621-R776 PolarHBondContact O-NH2 3.25Å | ||
| 622 | P | 38.7 | Very low | 35.4 | Very low | 11 Ų | 11 | 56.4 Ų | 56.4 | 7% | 0.071 | 30% | 0.299 | C | S | . | . | trans | -52.2 | 125.4 | 172.8 | -21.4 | 29.5 | 0 | 0 | 0 | 107.3 | P615 R620 W624 I625 | P615-P622 WeakPolarHBondContact O-CD 3.48Å; R620-P622 VanDerWaalsContact O-N 3.15Å; P622-W624 HydrophobicContact CB-CD2 4.18Å; P622-W624 HydrophobicContact CB-CG 4.18Å; P622-W624 HydrophobicContact CB-CZ2 4.3Å; P622-W624 PolarHBondContact O-N 3.2Å; P622-I625 HydrophobicContact CG-CD1 4.26Å; P622-I625 WeakPolarHBondContact O-CB 3.14Å; P622-I625 PolarHBondContact O-N 2.91Å | ||
| 623 | N | 36.2 | Very low | 35.4 | Very low | 68 Ų | 68 | 56.4 Ų | 56.4 | 36% | 0.364 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -0.7 | -175.4 | -73.4 | 6.9 | 0 | 0 | 0 | 111.1 | R620 L621 R776 | R620-N623 PolarHBondContact NE-OD1 3.34Å; R620-N623 PolarHBondContact NH2-ND2 2.96Å; R620-N623 PolarHBondContact NH2-OD1 3.49Å; L621-N623 PolarHBondContact O-N 2.85Å; L621-N623 VanDerWaalsContact O-N 3.13Å; N623-R776 HydrophobicContact CB-CB 3.71Å; N623-R776 HydrophobicContact CB-CG 3.51Å; N623-R776 VanDerWaalsContact CB-NE 3.26Å; N623-R776 VanDerWaalsContact CB-NH1 3.34Å; N623-R776 PolarHBondContact ND2-NH1 3.01Å; N623-R776 PolarHBondContact OD1-NH1 3.42Å; N623-R776 VanDerWaalsContact OD1-NH1 3.11Å; N623-R776 PolarHBondContact OD1-NH2 3.35Å |
| 624 | W | 38.5 | Very low | 35.2 | Very low | 64 Ų | 64 | 55.3 Ų | 55.3 | 24% | 0.242 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -20 | 170.4 | 62.8 | -110.9 | 0 | 0 | 0 | 111.3 | P622 H626 F771 R776 L779 | P622-W624 HydrophobicContact CB-CD2 4.18Å; P622-W624 HydrophobicContact CB-CG 4.18Å; P622-W624 HydrophobicContact CB-CZ2 4.3Å; P622-W624 PolarHBondContact O-N 3.2Å; W624-H626 PolarHBondContact O-N 2.88Å; W624-F771 HydrophobicContact CZ2-CD2 4.3Å; W624-R776 HydrophobicContact CB-CG 4.26Å; W624-L779 HydrophobicContact CB-CB 4.25Å; W624-L779 HydrophobicContact CB-CD1 3.92Å; W624-L779 HydrophobicContact CB-CG 4.25Å; W624-L779 HydrophobicContact CE3-CD1 4.19Å; W624-L779 WeakPolarHBondContact O-CB 3.22Å |
| 625 | I | 33.8 | Very low | 35.2 | Very low | 37 Ų | 37 | 62.4 Ų | 62.4 | 19% | 0.19 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -67.4 | 123.7 | 163.2 | -72.6 | -179.9 | 0 | 0 | 0 | 107.8 | L621 P622 L629 | L621-I625 HydrophobicContact CD2-CD1 4.46Å; L621-I625 HydrophobicContact CD2-CG2 4.22Å; P622-I625 HydrophobicContact CG-CD1 4.26Å; P622-I625 WeakPolarHBondContact O-CB 3.14Å; P622-I625 PolarHBondContact O-N 2.91Å; I625-L629 HydrophobicContact CG2-CB 4.15Å |
| 626 | H | 30.7 | Very low | 35.4 | Very low | 22 Ų | 22 | 69.3 Ų | 69.3 | 10% | 0.102 | 33% | 0.331 | C | S | . | . | trans | -68.3 | 140.9 | -177.5 | -176.9 | -109.8 | 0 | 0 | 0 | 111.4 | W624 S628 L629 A630 L783 | W624-H626 PolarHBondContact O-N 2.88Å; H626-S628 VanDerWaalsContact C-N 3.27Å; H626-S628 WeakPolarHBondContact CE1-CB 3.47Å; H626-S628 PolarHBondContact CE1-N 3.45Å; H626-S628 PolarHBondContact CE1-OG 2.92Å; H626-S628 VanDerWaalsContact ND1-CB 3.29Å; H626-S628 WeakPolarHBondContact ND1-CB 3.32Å; H626-S628 PolarHBondContact ND1-N 3.4Å; H626-S628 PolarHBondContact ND1-OG 2.8Å; H626-S628 PolarHBondContact O-N 3.28Å; H626-L629 HydrophobicContact CB-CB 4.33Å; H626-L629 CarbonylContact O-C 3.54Å; H626-L629 VanDerWaalsContact O-CA 3.27Å; H626-L629 WeakPolarHBondContact O-CA 3.4Å; H626-L629 WeakPolarHBondContact O-CB 3.46Å; H626-L629 PolarHBondContact O-N 3.03Å; H626-A630 PolarHBondContact O-N 3.48Å; H626-L783 HydrophobicContact CB-CD1 3.58Å; H626-L783 WeakPolarHBondContact CD2-CB 3.27Å; H626-L783 WeakPolarHBondContact CD2-CD1 3.29Å; H626-L783 WeakPolarHBondContact CE1-CB 3.46Å; H626-L783 WeakPolarHBondContact NE2-CB 3.37Å | ||
| 627 | P | 32.5 | Very low | 35.6 | Very low | 64 Ų | 64 | 76 Ų | 76 | 42% | 0.416 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.3 | -25 | 178.2 | -26.6 | 35.3 | 0 | 0 | 0 | 115.3 | L629 A630 R631 | P627-L629 VanDerWaalsContact C-N 3.26Å; P627-A630 WeakPolarHBondContact O-CB 3.48Å; P627-A630 PolarHBondContact O-N 2.87Å; P627-R631 PolarHBondContact O-N 3.19Å |
| 628 | S | 32.7 | Very low | 35.6 | Very low | 46 Ų | 46 | 79.1 Ų | 79.1 | 32% | 0.322 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -71.5 | -25.2 | 169.2 | 80.3 | 0 | 0 | 0 | 0 | 112.1 | H626 R631 D632 | H626-S628 VanDerWaalsContact C-N 3.27Å; H626-S628 WeakPolarHBondContact CE1-CB 3.47Å; H626-S628 PolarHBondContact CE1-N 3.45Å; H626-S628 PolarHBondContact CE1-OG 2.92Å; H626-S628 VanDerWaalsContact ND1-CB 3.29Å; H626-S628 WeakPolarHBondContact ND1-CB 3.32Å; H626-S628 PolarHBondContact ND1-N 3.4Å; H626-S628 PolarHBondContact ND1-OG 2.8Å; H626-S628 PolarHBondContact O-N 3.28Å; S628-R631 CarbonylContact O-C 3.21Å; S628-R631 WeakPolarHBondContact O-CB 3.41Å; S628-R631 PolarHBondContact O-N 3.01Å; S628-D632 WeakPolarHBondContact O-CB 3.4Å; S628-D632 PolarHBondContact O-N 3.32Å |
| 629 | L | 35.2 | Very low | 35.9 | Very low | 46 Ų | 46 | 83.9 Ų | 83.9 | 24% | 0.241 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -76.6 | -35.9 | 169.9 | -114.8 | 140 | 0 | 0 | 0 | 110.5 | I625 H626 P627 R631 D632 V633 | I625-L629 HydrophobicContact CG2-CB 4.15Å; H626-L629 HydrophobicContact CB-CB 4.33Å; H626-L629 CarbonylContact O-C 3.54Å; H626-L629 VanDerWaalsContact O-CA 3.27Å; H626-L629 WeakPolarHBondContact O-CA 3.4Å; H626-L629 WeakPolarHBondContact O-CB 3.46Å; H626-L629 PolarHBondContact O-N 3.03Å; P627-L629 VanDerWaalsContact C-N 3.26Å; L629-R631 PolarHBondContact O-N 3.39Å; L629-D632 PolarHBondContact O-N 3.3Å; L629-D632 VanDerWaalsContact O-N 3.14Å; L629-V633 HydrophobicContact CD2-CG2 4.13Å; L629-V633 WeakPolarHBondContact O-CA 2.88Å; L629-V633 WeakPolarHBondContact O-CB 3.33Å; L629-V633 WeakPolarHBondContact O-CG2 3.42Å; L629-V633 PolarHBondContact O-N 3.45Å |
| 630 | A | 36.1 | Very low | 35.8 | Very low | 17 Ų | 17 | 81.7 Ų | 81.7 | 14% | 0.14 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.1 | -40 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L621 H626 P627 Y634 | L621-A630 HydrophobicContact CD1-CB 4.02Å; H626-A630 PolarHBondContact O-N 3.48Å; P627-A630 WeakPolarHBondContact O-CB 3.48Å; P627-A630 PolarHBondContact O-N 2.87Å; A630-Y634 WeakPolarHBondContact O-CB 3.29Å; A630-Y634 PolarHBondContact O-N 3.32Å |
| 631 | R | 33.2 | Very low | 35.9 | Very low | 145 Ų | 145 | 79.5 Ų | 79.5 | 55% | 0.547 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -71.1 | -33.1 | 172.7 | -77.3 | -177.8 | 177.8 | 132.2 | -0.1 | 114.8 | P627 S628 L629 Y634 R635 | P627-R631 PolarHBondContact O-N 3.19Å; S628-R631 CarbonylContact O-C 3.21Å; S628-R631 WeakPolarHBondContact O-CB 3.41Å; S628-R631 PolarHBondContact O-N 3.01Å; L629-R631 PolarHBondContact O-N 3.39Å; R631-Y634 CarbonylContact O-C 3.54Å; R631-R635 WeakPolarHBondContact O-CB 3.32Å; R631-R635 PolarHBondContact O-N 3.43Å |
| 632 | D | 35 | Very low | 35.9 | Very low | 76 Ų | 76 | 83.5 Ų | 83.5 | 41% | 0.406 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -82.8 | -36.2 | 179.7 | -82.9 | -12.4 | 0 | 0 | 0 | 112.1 | S628 L629 Y634 R635 R636 | S628-D632 WeakPolarHBondContact O-CB 3.4Å; S628-D632 PolarHBondContact O-N 3.32Å; L629-D632 PolarHBondContact O-N 3.3Å; L629-D632 VanDerWaalsContact O-N 3.14Å; D632-Y634 VanDerWaalsContact C-N 3.31Å; D632-R635 PolarHBondContact O-N 3.25Å; D632-R635 IonicContact OD1-NE 3.03Å; D632-R635 PolarHBondContact OD1-NE 2.72Å; D632-R635 IonicContact OD1-NH2 2.7Å; D632-R636 WeakPolarHBondContact O-CB 3.22Å; D632-R636 PolarHBondContact O-N 3.15Å |
| 633 | V | 37.8 | Very low | 35.8 | Very low | 59 Ų | 59 | 89.6 Ų | 89.6 | 36% | 0.358 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -56.1 | -51.3 | 161.8 | 173.8 | 0 | 0 | 0 | 0 | 107.4 | L629 R635 R636 W637 | L629-V633 HydrophobicContact CD2-CG2 4.13Å; L629-V633 WeakPolarHBondContact O-CA 2.88Å; L629-V633 WeakPolarHBondContact O-CB 3.33Å; L629-V633 WeakPolarHBondContact O-CG2 3.42Å; L629-V633 PolarHBondContact O-N 3.45Å; V633-R635 PolarHBondContact O-N 3.1Å; V633-R636 PolarHBondContact O-N 2.87Å; V633-W637 HydrophobicContact CG1-CG 4.48Å; V633-W637 WeakPolarHBondContact O-CB 3.38Å; V633-W637 PolarHBondContact O-N 3.49Å |
| 634 | Y | 37.2 | Very low | 36 | Very low | 66 Ų | 66 | 91 Ų | 91 | 26% | 0.259 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 175.8 | -161.5 | -90.5 | 0 | 0 | 0 | 112.8 | I607 A630 R631 D632 R636 W637 Y638 | I607-Y634 HydrophobicContact CG1-CE2 4.42Å; A630-Y634 WeakPolarHBondContact O-CB 3.29Å; A630-Y634 PolarHBondContact O-N 3.32Å; R631-Y634 CarbonylContact O-C 3.54Å; D632-Y634 VanDerWaalsContact C-N 3.31Å; Y634-R636 VanDerWaalsContact C-N 3.29Å; Y634-R636 PolarHBondContact O-N 3.33Å; Y634-W637 CarbonylContact O-C 3.54Å; Y634-W637 PolarHBondContact O-N 3.1Å; Y634-Y638 HydrophobicContact CD1-CD2 4.06Å; Y634-Y638 HydrophobicContact CD1-CG 4.36Å; Y634-Y638 AromaticContact CE1-CD2 3.15Å; Y634-Y638 HydrophobicContact CE1-CD2 3.15Å; Y634-Y638 AromaticContact CE1-CE2 3.78Å; Y634-Y638 HydrophobicContact CE1-CE2 3.78Å; Y634-Y638 AromaticContact CE1-CG 3.82Å; Y634-Y638 HydrophobicContact CE1-CG 3.82Å; Y634-Y638 AromaticContact CZ-CD2 3.47Å; Y634-Y638 VanDerWaalsContact CZ-CD2 3.47Å; Y634-Y638 AromaticContact CZ-CE2 3.92Å; Y634-Y638 WeakPolarHBondContact O-CA 3.4Å; Y634-Y638 WeakPolarHBondContact O-CB 3.24Å; Y634-Y638 PolarHBondContact O-N 2.97Å; Y634-Y638 WeakPolarHBondContact OH-CD2 3.49Å; Y634-Y638 WeakPolarHBondContact OH-CE2 3.44Å |
| 635 | R | 38.7 | Very low | 35.9 | Very low | 160 Ų | 160 | 94.4 Ų | 94.4 | 60% | 0.604 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -63 | -37.7 | 176.3 | -97.6 | -166.2 | -95.6 | -112.8 | 2.1 | 111.9 | R631 D632 V633 R639 | R631-R635 WeakPolarHBondContact O-CB 3.32Å; R631-R635 PolarHBondContact O-N 3.43Å; D632-R635 PolarHBondContact O-N 3.25Å; D632-R635 IonicContact OD1-NE 3.03Å; D632-R635 PolarHBondContact OD1-NE 2.72Å; D632-R635 IonicContact OD1-NH2 2.7Å; V633-R635 PolarHBondContact O-N 3.1Å; R635-R639 VanDerWaalsContact O-CB 3.3Å; R635-R639 WeakPolarHBondContact O-CB 3.45Å; R635-R639 WeakPolarHBondContact O-CG 3.49Å; R635-R639 PolarHBondContact O-N 3.05Å |
| 636 | R | 37.9 | Very low | 35.7 | Very low | 185 Ų | 185 | 96.6 Ų | 96.6 | 70% | 0.698 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -68 | -42.7 | 177.5 | -167 | 169.9 | -66.2 | -177 | 1.1 | 110 | D632 V633 Y634 V640 | D632-R636 WeakPolarHBondContact O-CB 3.22Å; D632-R636 PolarHBondContact O-N 3.15Å; V633-R636 PolarHBondContact O-N 2.87Å; Y634-R636 VanDerWaalsContact C-N 3.29Å; Y634-R636 PolarHBondContact O-N 3.33Å; R636-V640 WeakPolarHBondContact O-CG2 3.38Å; R636-V640 PolarHBondContact O-N 3.01Å |
| 637 | W | 36.7 | Very low | 35.6 | Very low | 142 Ų | 142 | 100 Ų | 100 | 54% | 0.538 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -76.1 | -37.5 | 179.4 | -77.5 | 63.3 | 0 | 0 | 0 | 113.3 | L612 V633 Y634 R639 V640 T641 | L612-W637 HydrophobicContact CD2-CE3 3.63Å; L612-W637 HydrophobicContact CD2-CZ3 3.68Å; V633-W637 HydrophobicContact CG1-CG 4.48Å; V633-W637 WeakPolarHBondContact O-CB 3.38Å; V633-W637 PolarHBondContact O-N 3.49Å; Y634-W637 CarbonylContact O-C 3.54Å; Y634-W637 PolarHBondContact O-N 3.1Å; W637-R639 VanDerWaalsContact C-N 3.28Å; W637-R639 PolarHBondContact O-N 2.86Å; W637-V640 CarbonylContact O-C 3.59Å; W637-V640 WeakPolarHBondContact O-CA 3.32Å; W637-V640 VanDerWaalsContact O-CB 3.31Å; W637-V640 WeakPolarHBondContact O-CB 3.37Å; W637-V640 PolarHBondContact O-N 3.24Å; W637-T641 PolarHBondContact O-N 2.93Å |
| 638 | Y | 38.1 | Very low | 35.3 | Very low | 118 Ų | 118 | 102.5 Ų | 102.5 | 46% | 0.463 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.3 | -30.6 | 173.5 | -150.9 | -90.9 | 0 | 0 | 0 | 111.1 | Y634 V640 T641 E642 | Y634-Y638 HydrophobicContact CD1-CD2 4.06Å; Y634-Y638 HydrophobicContact CD1-CG 4.36Å; Y634-Y638 AromaticContact CE1-CD2 3.15Å; Y634-Y638 HydrophobicContact CE1-CD2 3.15Å; Y634-Y638 AromaticContact CE1-CE2 3.78Å; Y634-Y638 HydrophobicContact CE1-CE2 3.78Å; Y634-Y638 AromaticContact CE1-CG 3.82Å; Y634-Y638 HydrophobicContact CE1-CG 3.82Å; Y634-Y638 AromaticContact CZ-CD2 3.47Å; Y634-Y638 VanDerWaalsContact CZ-CD2 3.47Å; Y634-Y638 AromaticContact CZ-CE2 3.92Å; Y634-Y638 WeakPolarHBondContact O-CA 3.4Å; Y634-Y638 WeakPolarHBondContact O-CB 3.24Å; Y634-Y638 PolarHBondContact O-N 2.97Å; Y634-Y638 WeakPolarHBondContact OH-CD2 3.49Å; Y634-Y638 WeakPolarHBondContact OH-CE2 3.44Å; Y638-V640 VanDerWaalsContact C-N 3.34Å; Y638-T641 VanDerWaalsContact CA-OG1 3.31Å; Y638-T641 WeakPolarHBondContact CA-OG1 3.34Å; Y638-T641 PolarHBondContact O-N 3.27Å; Y638-T641 PolarHBondContact O-OG1 3.39Å; Y638-E642 HydrophobicContact CD1-CG 4.49Å; Y638-E642 WeakPolarHBondContact O-CB 3.38Å; Y638-E642 PolarHBondContact O-N 3.28Å |
| 639 | R | 38.4 | Very low | 34.9 | Very low | 179 Ų | 179 | 106.4 Ų | 106.4 | 68% | 0.675 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.8 | -34 | 167.6 | -85.5 | -150.2 | -93 | 152.7 | -13.6 | 112.7 | R635 W637 Q643 | R635-R639 VanDerWaalsContact O-CB 3.3Å; R635-R639 WeakPolarHBondContact O-CB 3.45Å; R635-R639 WeakPolarHBondContact O-CG 3.49Å; R635-R639 PolarHBondContact O-N 3.05Å; W637-R639 VanDerWaalsContact C-N 3.28Å; W637-R639 PolarHBondContact O-N 2.86Å; R639-Q643 WeakPolarHBondContact O-CB 3.46Å; R639-Q643 WeakPolarHBondContact O-CG 3.4Å; R639-Q643 PolarHBondContact O-N 3.22Å |
| 640 | V | 34.7 | Very low | 34.3 | Very low | 78 Ų | 78 | 108.8 Ų | 108.8 | 47% | 0.473 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.9 | -43.8 | 171.9 | 174 | 0 | 0 | 0 | 0 | 110.1 | R636 W637 Y638 Q643 V644 | R636-V640 WeakPolarHBondContact O-CG2 3.38Å; R636-V640 PolarHBondContact O-N 3.01Å; W637-V640 CarbonylContact O-C 3.59Å; W637-V640 WeakPolarHBondContact O-CA 3.32Å; W637-V640 VanDerWaalsContact O-CB 3.31Å; W637-V640 WeakPolarHBondContact O-CB 3.37Å; W637-V640 PolarHBondContact O-N 3.24Å; Y638-V640 VanDerWaalsContact C-N 3.34Å; V640-Q643 WeakPolarHBondContact O-CB 3.39Å; V640-Q643 PolarHBondContact O-N 2.84Å; V640-V644 WeakPolarHBondContact O-CG2 3.45Å; V640-V644 PolarHBondContact O-N 3.4Å |
| 641 | T | 36.4 | Very low | 33.7 | Very low | 54 Ų | 54 | 115.4 Ų | 115.4 | 33% | 0.331 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -70.2 | -35.7 | 177.6 | 60.1 | 0 | 0 | 0 | 0 | 113.1 | W637 Y638 Q643 V644 N645 | W637-T641 PolarHBondContact O-N 2.93Å; Y638-T641 VanDerWaalsContact CA-OG1 3.31Å; Y638-T641 WeakPolarHBondContact CA-OG1 3.34Å; Y638-T641 PolarHBondContact O-N 3.27Å; Y638-T641 PolarHBondContact O-OG1 3.39Å; T641-Q643 VanDerWaalsContact C-N 3.32Å; T641-V644 PolarHBondContact O-N 2.77Å; T641-N645 WeakPolarHBondContact O-CB 3.31Å; T641-N645 PolarHBondContact O-N 2.87Å |
| 642 | E | 35.3 | Very low | 33.2 | Very low | 116 Ų | 116 | 114.8 Ų | 114.8 | 54% | 0.542 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.7 | -38.6 | 169.6 | -97.4 | -172 | 165.8 | 0 | 0 | 111.5 | Y638 V644 N645 S646 | Y638-E642 HydrophobicContact CD1-CG 4.49Å; Y638-E642 WeakPolarHBondContact O-CB 3.38Å; Y638-E642 PolarHBondContact O-N 3.28Å; E642-V644 VanDerWaalsContact C-N 3.31Å; E642-V644 PolarHBondContact O-N 3.19Å; E642-N645 PolarHBondContact O-N 2.76Å; E642-S646 WeakPolarHBondContact O-CA 3.41Å; E642-S646 WeakPolarHBondContact O-CB 3.37Å; E642-S646 PolarHBondContact O-N 2.73Å; E642-S646 PolarHBondContact O-OG 3.36Å |
| 643 | Q | 37.7 | Very low | 32.5 | Very low | 139 Ų | 139 | 118 Ų | 118 | 65% | 0.65 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.3 | -36.7 | 174.9 | -86.4 | 177.8 | -32.3 | 0 | 0 | 112.4 | R639 V640 T641 | R639-Q643 WeakPolarHBondContact O-CB 3.46Å; R639-Q643 WeakPolarHBondContact O-CG 3.4Å; R639-Q643 PolarHBondContact O-N 3.22Å; V640-Q643 WeakPolarHBondContact O-CB 3.39Å; V640-Q643 PolarHBondContact O-N 2.84Å; T641-Q643 VanDerWaalsContact C-N 3.32Å |
| 644 | V | 39.3 | Very low | 31.7 | Very low | 97 Ų | 97 | 120.2 Ų | 120.2 | 59% | 0.588 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -68.3 | -42.9 | 174.4 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | V640 T641 E642 T647 | V640-V644 WeakPolarHBondContact O-CG2 3.45Å; V640-V644 PolarHBondContact O-N 3.4Å; T641-V644 PolarHBondContact O-N 2.77Å; E642-V644 VanDerWaalsContact C-N 3.31Å; E642-V644 PolarHBondContact O-N 3.19Å; V644-T647 PolarHBondContact O-OG1 3.29Å |
| 645 | N | 36.4 | Very low | 30.8 | Very low | 136 Ų | 136 | 121.9 Ų | 121.9 | 73% | 0.727 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -82.3 | -18.8 | -176.6 | -68.8 | -16.7 | 0 | 0 | 0 | 114.9 | T641 E642 | T641-N645 WeakPolarHBondContact O-CB 3.31Å; T641-N645 PolarHBondContact O-N 2.87Å; E642-N645 PolarHBondContact O-N 2.76Å |
| 646 | S | 30.7 | Very low | 29.8 | Very low | 84 Ų | 84 | 120.4 Ų | 120.4 | 59% | 0.587 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | 1.1 | 179 | 59.4 | 0 | 0 | 0 | 0 | 113.5 | E642 P648 | E642-S646 WeakPolarHBondContact O-CA 3.41Å; E642-S646 WeakPolarHBondContact O-CB 3.37Å; E642-S646 PolarHBondContact O-N 2.73Å; E642-S646 PolarHBondContact O-OG 3.36Å; S646-P648 VanDerWaalsContact O-CD 3.26Å; S646-P648 WeakPolarHBondContact O-CD 3.36Å |
| 647 | T | 27 | Very low | 29.1 | Very low | 93 Ų | 93 | 118.3 Ų | 118.3 | 57% | 0.571 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -71.9 | 111 | 163.7 | 51.3 | 0 | 0 | 0 | 0 | 108.8 | V644 S649 | V644-T647 PolarHBondContact O-OG1 3.29Å; T647-S649 PolarHBondContact O-N 2.75Å; T647-S649 VanDerWaalsContact O-N 3.08Å |
| 648 | P | 26.3 | Very low | 28.3 | Very low | 117 Ų | 117 | 119.1 Ų | 119.1 | 76% | 0.76 | 67% | 0.671 | S | S | * | * | trans | -75.1 | 108.2 | -163.6 | 28.5 | -31.5 | 0 | 0 | 0 | 110.1 | S646 S650 | S646-P648 VanDerWaalsContact O-CD 3.26Å; S646-P648 WeakPolarHBondContact O-CD 3.36Å; P648-S650 PolarHBondContact O-N 3.38Å | ||
| 649 | S | 25.1 | Very low | 27.6 | Very low | 127 Ų | 127 | 117.8 Ų | 117.8 | 89% | 0.888 | 68% | 0.679 | S | S | * | * | trans | -76.8 | 73.3 | 172.2 | -58.6 | 0 | 0 | 0 | 0 | 109.9 | T647 | T647-S649 PolarHBondContact O-N 2.75Å; T647-S649 VanDerWaalsContact O-N 3.08Å | ||
| 650 | S | 21.9 | Very low | 26.6 | Very low | 97 Ų | 97 | 116.2 Ų | 116.2 | 68% | 0.678 | 68% | 0.684 | S | S | * | * | trans | -87.7 | 114.5 | 160.8 | 79.9 | 0 | 0 | 0 | 0 | 107.5 | P648 | P648-S650 PolarHBondContact O-N 3.38Š| ||
| 651 | I | 23 | Very low | 26.2 | Very low | 156 Ų | 156 | 120.7 Ų | 120.7 | 80% | 0.8 | 71% | 0.705 | S | S | * | * | trans | 174.2 | 106.3 | 139.6 | -87.6 | 155.6 | 0 | 0 | 0 | 107.2 | ||||
| 652 | V | 23.8 | Very low | 25.4 | Very low | 132 Ų | 132 | 127 Ų | 127 | 80% | 0.8 | 73% | 0.731 | S | S | * | * | trans | 91.1 | 92.9 | 142.1 | -175.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 653 | N | 20.7 | Very low | 24.9 | Very low | 143 Ų | 143 | 130.4 Ų | 130.4 | 77% | 0.765 | 75% | 0.747 | S | S | * | * | trans | -36.2 | 146.2 | 141 | -59.1 | -36.9 | 0 | 0 | 0 | 115.2 | ||||
| 654 | S | 20 | Very low | 24.2 | Very low | 105 Ų | 105 | 128.6 Ų | 128.6 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | 159.3 | 137.7 | 112 | -68 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 655 | S | 18.9 | Very low | 23.3 | Very low | 102 Ų | 102 | 132 Ų | 132 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | trans | 62.6 | 109.5 | 152.5 | 48.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 656 | T | 18.2 | Very low | 22.7 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | 66.4 | 134.9 | 69.2 | 60.8 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 657 | I | 21.8 | Very low | 22.3 | Very low | 141 Ų | 141 | 134.6 Ų | 134.6 | 72% | 0.723 | 77% | 0.77 | S | S | * | * | trans | 119.8 | 118 | 143.8 | -62.2 | -172.9 | 0 | 0 | 0 | 117.5 | ||||
| 658 | L | 21.2 | Very low | 22.2 | Very low | 159 Ų | 159 | 133.8 Ų | 133.8 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | 53.3 | 152.8 | 142.8 | -62.6 | 166.6 | 0 | 0 | 0 | 119.8 | ||||
| 659 | S | 21.9 | Very low | 22.1 | Very low | 91 Ų | 91 | 138.9 Ų | 138.9 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | cis | -177.9 | 153.5 | 4.6 | 34.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 660 | N | 19.5 | Very low | 22.1 | Very low | 146 Ų | 146 | 136.6 Ų | 136.6 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | trans | 38.5 | 131.1 | 142.6 | -65.4 | -0.8 | 0 | 0 | 0 | 122.7 | ||||
| 661 | D | 24.6 | Very low | 22.2 | Very low | 171 Ų | 171 | 141.8 Ų | 141.8 | 91% | 0.914 | 80% | 0.797 | S | S | * | * | -161.6 | 142.6 | 113.3 | -89.2 | -28.2 | 0 | 0 | 0 | 111.7 | |||||
| 662 | Q | 21.1 | Very low | 22.3 | Very low | 188 Ų | 188 | 144.3 Ų | 144.3 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | trans | -98.4 | 157.8 | 178.8 | -63.9 | -178.7 | -56.7 | 0 | 0 | 110.3 | ||||
| 663 | E | 23.5 | Very low | 22.2 | Very low | 186 Ų | 186 | 148.7 Ų | 148.7 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | trans | -165.1 | 123.1 | 141.7 | -118.9 | 174.3 | -179 | 0 | 0 | 113.4 | ||||
| 664 | S | 24.1 | Very low | 22.2 | Very low | 102 Ų | 102 | 153.2 Ų | 153.2 | 71% | 0.713 | 81% | 0.811 | S | S | * | * | trans | 49.1 | 153.1 | 134.5 | 52 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 665 | E | 20.5 | Very low | 22.5 | Very low | 169 Ų | 169 | 155.8 Ų | 155.8 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | cis | 168.5 | 165.3 | -24.8 | -111.5 | -81.8 | 179.1 | 0 | 0 | 105.2 | ||||
| 666 | E | 23.1 | Very low | 22.7 | Very low | 163 Ų | 163 | 155.2 Ų | 155.2 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | trans | 73.1 | 95.9 | 160.9 | -80.7 | -170.4 | 128 | 0 | 0 | 124.4 | ||||
| 667 | S | 22 | Very low | 22.9 | Very low | 111 Ų | 111 | 158.2 Ų | 158.2 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | 54 | 144.7 | 98.2 | 98.3 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 668 | G | 25.8 | Very low | 23 | Very low | 76 Ų | 76 | 163.1 Ų | 163.1 | 78% | 0.784 | 83% | 0.826 | S | S | * | * | trans | 130.5 | 80.5 | 144.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 669 | K | 23.8 | Very low | 23 | Very low | 223 Ų | 223 | 163.5 Ų | 163.5 | 97% | 0.97 | 83% | 0.829 | S | S | * | * | trans | -76 | 125 | 168.9 | -72.2 | 172.7 | 175.4 | 168.9 | 0 | 111.7 | ||||
| 670 | G | 25.2 | Very low | 23.2 | Very low | 79 Ų | 79 | 164 Ų | 164 | 81% | 0.814 | 83% | 0.833 | S | S | * | * | trans | -127.1 | 127.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 671 | K | 24.7 | Very low | 23.2 | Very low | 207 Ų | 207 | 168.3 Ų | 168.3 | 90% | 0.9 | 84% | 0.838 | S | S | * | * | trans | -73.8 | 140.5 | -169.5 | -81.8 | 168.2 | 171.9 | 169.1 | 0 | 115 | ||||
| 672 | K | 24 | Very low | 23.1 | Very low | 209 Ų | 209 | 166.3 Ų | 166.3 | 91% | 0.909 | 83% | 0.832 | S | S | * | * | trans | -14.2 | 116.1 | 151.7 | -61.5 | 174.8 | 177.5 | 178 | 0 | 115.9 | ||||
| 673 | R | 22.3 | Very low | 23.2 | Very low | 224 Ų | 224 | 163.4 Ų | 163.4 | 85% | 0.845 | 83% | 0.827 | S | S | * | * | trans | -116.3 | 116.6 | 156.4 | -94.4 | 175.8 | 57.4 | 114.4 | -2 | 109.2 | ||||
| 674 | R | 20.8 | Very low | 23.3 | Very low | 238 Ų | 238 | 162.9 Ų | 162.9 | 90% | 0.898 | 83% | 0.83 | S | S | * | * | trans | -70.3 | 132.8 | 164.4 | -74.3 | 168.7 | 100.2 | 163.7 | 3.1 | 107.9 | ||||
| 675 | L | 25.8 | Very low | 23.3 | Very low | 159 Ų | 159 | 163.7 Ų | 163.7 | 83% | 0.832 | 83% | 0.83 | S | S | * | * | trans | -132.7 | 99.4 | 162 | -148.6 | 81 | 0 | 0 | 0 | 106.5 | ||||
| 676 | S | 22.8 | Very low | 23.5 | Very low | 90 Ų | 90 | 162.9 Ų | 162.9 | 63% | 0.629 | 83% | 0.831 | S | S | * | * | trans | -105.9 | 157.5 | 168.5 | 47.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 677 | E | 22.9 | Very low | 23.5 | Very low | 191 Ų | 191 | 161.8 Ų | 161.8 | 89% | 0.893 | 83% | 0.831 | S | S | * | * | trans | 87 | 100.9 | 169.5 | -62 | 174.5 | 147.7 | 0 | 0 | 117.5 | ||||
| 678 | R | 23.3 | Very low | 23.8 | Very low | 244 Ų | 244 | 162.8 Ų | 162.8 | 92% | 0.921 | 83% | 0.828 | S | S | * | * | trans | -144 | 100.9 | 136.5 | -160.9 | 172.2 | -124.1 | 165.5 | 0.2 | 109.3 | ||||
| 679 | N | 22.2 | Very low | 23.8 | Very low | 166 Ų | 166 | 165.9 Ų | 165.9 | 89% | 0.888 | 83% | 0.826 | S | S | * | * | trans | -114 | 122.3 | 166.9 | -98.3 | -18.4 | 0 | 0 | 0 | 107.3 | ||||
| 680 | S | 24.9 | Very low | 23.9 | Very low | 103 Ų | 103 | 163.2 Ų | 163.2 | 72% | 0.72 | 82% | 0.822 | S | S | * | * | trans | -166 | 103.8 | 164.7 | -23.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 681 | R | 20.1 | Very low | 23.8 | Very low | 236 Ų | 236 | 165.8 Ų | 165.8 | 89% | 0.891 | 82% | 0.817 | S | S | * | * | 71.1 | 144.9 | 85.5 | -89.3 | -172.3 | 176.8 | 174.9 | 0 | 115 | |||||
| 682 | T | 22.2 | Very low | 23.9 | Very low | 128 Ų | 128 | 162.1 Ų | 162.1 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | trans | 86.6 | 99.8 | 168.1 | 66.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 683 | V | 22.5 | Very low | 23.9 | Very low | 128 Ų | 128 | 157.5 Ų | 157.5 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | 72.2 | 96.9 | 76.6 | 178.3 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 684 | D | 26.7 | Very low | 23.9 | Very low | 175 Ų | 175 | 153.4 Ų | 153.4 | 94% | 0.936 | 80% | 0.802 | S | S | * | * | trans | -142.8 | 146.1 | 156.5 | -98 | -33.4 | 0 | 0 | 0 | 109.8 | ||||
| 685 | V | 24.4 | Very low | 24.1 | Very low | 118 Ų | 118 | 145.5 Ų | 145.5 | 72% | 0.715 | 79% | 0.787 | S | S | * | * | trans | -111 | 135.2 | -150.7 | 157.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 686 | N | 23.2 | Very low | 24.1 | Very low | 153 Ų | 153 | 144.8 Ų | 144.8 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | 45.6 | 111.1 | 140.7 | -159 | 24.5 | 0 | 0 | 0 | 119 | ||||
| 687 | N | 25 | Very low | 24.1 | Very low | 139 Ų | 139 | 149.7 Ų | 149.7 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | trans | -159 | 143.5 | 140.2 | -152.8 | 6.3 | 0 | 0 | 0 | 113.3 | ||||
| 688 | N | 28.3 | Very low | 24.2 | Very low | 133 Ų | 133 | 147.5 Ų | 147.5 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | 75.6 | 87 | 162.9 | -69.8 | -17.6 | 0 | 0 | 0 | 120 | ||||
| 689 | N | 24 | Very low | 24.2 | Very low | 140 Ų | 140 | 141.6 Ų | 141.6 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | trans | -52.8 | 138.4 | 137.4 | -81.3 | -27.6 | 0 | 0 | 0 | 111.4 | ||||
| 690 | N | 26.7 | Very low | 24.4 | Very low | 168 Ų | 168 | 140.4 Ų | 140.4 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | -155.9 | 126 | 128.1 | -95.8 | -22.5 | 0 | 0 | 0 | 110.7 | |||||
| 691 | N | 23.6 | Very low | 24.7 | Very low | 132 Ų | 132 | 140.6 Ų | 140.6 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | -70.2 | 155.8 | 178.7 | -68.5 | -42.3 | 0 | 0 | 0 | 112.1 | ||||
| 692 | T | 25.6 | Very low | 24.9 | Very low | 130 Ų | 130 | 137 Ų | 137 | 80% | 0.798 | 78% | 0.782 | S | S | * | * | 171.7 | 100.6 | 118 | 37.8 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 693 | T | 23.6 | Very low | 25.1 | Very low | 112 Ų | 112 | 137.8 Ų | 137.8 | 69% | 0.687 | 78% | 0.781 | S | S | * | * | 76.4 | 138.5 | 77.7 | 57.1 | 0 | 0 | 0 | 0 | 116 | |||||
| 694 | V | 24 | Very low | 25.2 | Very low | 139 Ų | 139 | 143.3 Ų | 143.3 | 84% | 0.842 | 79% | 0.788 | S | S | * | * | trans | 91 | 131.2 | 153.7 | -166.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 695 | A | 24.6 | Very low | 25.1 | Very low | 71 Ų | 71 | 144.9 Ų | 144.9 | 59% | 0.587 | 79% | 0.786 | S | S | * | * | cis | -172.9 | 148.1 | -18.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 696 | N | 25.2 | Very low | 25.2 | Very low | 145 Ų | 145 | 151.1 Ų | 151.1 | 78% | 0.775 | 80% | 0.797 | S | S | * | * | trans | 45.5 | 118.7 | 135.6 | -60.5 | -19 | 0 | 0 | 0 | 120.9 | ||||
| 697 | K | 23.7 | Very low | 25.2 | Very low | 192 Ų | 192 | 153 Ų | 153 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | 52.1 | 116.6 | 83.4 | -94.4 | -177.1 | 175.2 | 177.8 | 0 | 113.2 | |||||
| 698 | T | 24.8 | Very low | 25.4 | Very low | 146 Ų | 146 | 154.4 Ų | 154.4 | 90% | 0.896 | 80% | 0.799 | S | S | * | * | 179.8 | 148.8 | 120.5 | 27.4 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 699 | T | 23.1 | Very low | 25.2 | Very low | 120 Ų | 120 | 154.1 Ų | 154.1 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | trans | -67.9 | 150.3 | 179.6 | 43.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 700 | T | 26.5 | Very low | 25.5 | Very low | 140 Ų | 140 | 155.1 Ų | 155.1 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | 177.8 | 155.2 | 116.6 | 28 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 701 | P | 31.4 | Very low | 25.4 | Very low | 107 Ų | 107 | 153.7 Ų | 153.7 | 70% | 0.695 | 80% | 0.796 | S | S | * | * | trans | -108.6 | 152.6 | -175.1 | 38.9 | -28.1 | 0 | 0 | 0 | 113.2 | ||||
| 702 | N | 23.9 | Very low | 25.7 | Very low | 162 Ų | 162 | 154.5 Ų | 154.5 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | trans | 179.6 | 144.2 | 133.2 | -108.2 | -31 | 0 | 0 | 0 | 114.5 | ||||
| 703 | N | 25.7 | Very low | 25.7 | Very low | 143 Ų | 143 | 152.3 Ų | 152.3 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | trans | -46.8 | 150.5 | 166.4 | -91.8 | -48.5 | 0 | 0 | 0 | 114.8 | ||||
| 704 | R | 24.5 | Very low | 25.9 | Very low | 245 Ų | 245 | 153.5 Ų | 153.5 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | -172.8 | 116.3 | 125.9 | -101.4 | 160.1 | -173.9 | -176.2 | 2.4 | 112.5 | |||||
| 705 | K | 24.6 | Very low | 25.8 | Very low | 208 Ų | 208 | 150.9 Ų | 150.9 | 90% | 0.904 | 78% | 0.78 | S | S | * | * | trans | -60.4 | 142.1 | 159.8 | -82.9 | 172.6 | 168.8 | 173.6 | 0 | 110.6 | ||||
| 706 | R | 26.8 | Very low | 25.7 | Very low | 249 Ų | 249 | 153.7 Ų | 153.7 | 94% | 0.94 | 79% | 0.79 | S | S | * | * | trans | -131.1 | 132.8 | 155.1 | -81.4 | -172.3 | 174.5 | 179.1 | -1.6 | 109.5 | ||||
| 707 | K | 23.6 | Very low | 25.7 | Very low | 192 Ų | 192 | 152.7 Ų | 152.7 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | -70.9 | 154.5 | 169.5 | -72.3 | 172.9 | 164.3 | -177.5 | 0 | 110.8 | ||||
| 708 | H | 28.8 | Very low | 25.6 | Very low | 168 Ų | 168 | 150.1 Ų | 150.1 | 78% | 0.778 | 79% | 0.79 | S | S | * | * | 179.9 | 121.2 | 121.6 | -104.8 | -71.3 | 0 | 0 | 0 | 110.8 | |||||
| 709 | D | 23.7 | Very low | 25.5 | Very low | 128 Ų | 128 | 147.9 Ų | 147.9 | 68% | 0.684 | 78% | 0.776 | S | S | * | * | trans | 28.8 | 125.7 | 133.2 | -44.7 | -21.3 | 0 | 0 | 0 | 119.8 | ||||
| 710 | N | 31.9 | Very low | 25.4 | Very low | 161 Ų | 161 | 147.2 Ų | 147.2 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | -164 | 144.5 | 109.1 | -134.8 | -2.8 | 0 | 0 | 0 | 112.6 | |||||
| 711 | D | 23.9 | Very low | 25.3 | Very low | 137 Ų | 137 | 146.8 Ų | 146.8 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | trans | -77 | 160 | -177 | -65.9 | -58.2 | 0 | 0 | 0 | 114.9 | ||||
| 712 | N | 30.4 | Very low | 24.7 | Very low | 149 Ų | 149 | 146.3 Ų | 146.3 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | trans | 148.6 | 102 | 141.7 | -85.7 | -8.9 | 0 | 0 | 0 | 107.7 | ||||
| 713 | S | 24.7 | Very low | 24.7 | Very low | 85 Ų | 85 | 145.7 Ų | 145.7 | 59% | 0.594 | 76% | 0.76 | S | S | * | * | 65 | 141.1 | 72.6 | 85.7 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 714 | D | 27.2 | Very low | 24.4 | Very low | 137 Ų | 137 | 143.2 Ų | 143.2 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | trans | 91.7 | 94.2 | 162.9 | -61.4 | -51.5 | 0 | 0 | 0 | 117.4 | ||||
| 715 | S | 23.7 | Very low | 24.2 | Very low | 83 Ų | 83 | 136.2 Ų | 136.2 | 58% | 0.58 | 73% | 0.734 | S | S | * | * | 92.5 | 108.7 | 66.6 | 67.8 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 716 | T | 22.3 | Very low | 24.1 | Very low | 131 Ų | 131 | 132 Ų | 132 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | trans | 26.5 | 105.2 | 134.4 | 47.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 717 | T | 23.5 | Very low | 23.8 | Very low | 124 Ų | 124 | 123.7 Ų | 123.7 | 76% | 0.761 | 70% | 0.703 | S | S | * | * | trans | -154.1 | 97.7 | 133.5 | -27.4 | 0 | 0 | 0 | 0 | 111.2 | T719 | T717-T719 PolarHBondContact O-N 3Š| ||
| 718 | T | 23.2 | Very low | 23.9 | Very low | 138 Ų | 138 | 119.9 Ų | 119.9 | 85% | 0.847 | 70% | 0.696 | S | S | * | * | trans | -39.9 | 105.2 | 147.4 | -52.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 719 | T | 22.4 | Very low | 23.6 | Very low | 99 Ų | 99 | 116.3 Ų | 116.3 | 61% | 0.607 | 69% | 0.686 | S | S | * | * | trans | -139.8 | 88.3 | 163.8 | -37.8 | 0 | 0 | 0 | 0 | 109.2 | T717 T721 | T717-T719 PolarHBondContact O-N 3Å; T719-T721 PolarHBondContact O-N 3Å; T719-T721 VanDerWaalsContact O-N 3.16Å | ||
| 720 | T | 20.7 | Very low | 23.7 | Very low | 105 Ų | 105 | 115.4 Ų | 115.4 | 64% | 0.644 | 69% | 0.686 | S | S | * | * | 40.6 | 72.1 | 121.6 | -33.9 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 721 | T | 23.5 | Very low | 23.3 | Very low | 132 Ų | 132 | 114.2 Ų | 114.2 | 81% | 0.81 | 69% | 0.685 | S | S | * | * | trans | -116.6 | 65.3 | 149.4 | -39.8 | 0 | 0 | 0 | 0 | 108 | T719 I723 | T719-T721 PolarHBondContact O-N 3Å; T719-T721 VanDerWaalsContact O-N 3.16Å; T721-I723 PolarHBondContact O-N 2.75Å; T721-I723 VanDerWaalsContact O-N 3.12Å | ||
| 722 | T | 19.5 | Very low | 23.2 | Very low | 96 Ų | 96 | 113.1 Ų | 113.1 | 59% | 0.589 | 68% | 0.679 | S | S | * | * | trans | -49.4 | 100.9 | 151.7 | 30.6 | 0 | 0 | 0 | 0 | 109.8 | T724 | T722-T724 WeakPolarHBondContact CA-OG1 3.49Å; T722-T724 WeakPolarHBondContact CB-OG1 3.38Å; T722-T724 WeakPolarHBondContact CG2-OG1 3.47Å | ||
| 723 | I | 24 | Very low | 22.9 | Very low | 150 Ų | 150 | 110.7 Ų | 110.7 | 77% | 0.769 | 67% | 0.673 | S | S | * | * | trans | -138.9 | 71.1 | 139.2 | -51.1 | 174.8 | 0 | 0 | 0 | 104 | T721 | T721-I723 PolarHBondContact O-N 2.75Å; T721-I723 VanDerWaalsContact O-N 3.12Å | ||
| 724 | T | 19.7 | Very low | 22.7 | Very low | 90 Ų | 90 | 112.2 Ų | 112.2 | 55% | 0.552 | 68% | 0.675 | S | S | * | * | 35.9 | 100.6 | 70.5 | -28.9 | 0 | 0 | 0 | 0 | 111.5 | T722 | T722-T724 WeakPolarHBondContact CA-OG1 3.49Å; T722-T724 WeakPolarHBondContact CB-OG1 3.38Å; T722-T724 WeakPolarHBondContact CG2-OG1 3.47Å | |||
| 725 | T | 20.1 | Very low | 22.5 | Very low | 98 Ų | 98 | 112.2 Ų | 112.2 | 60% | 0.601 | 67% | 0.67 | S | S | * | * | trans | 62.7 | 109.4 | 155.8 | 54 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 726 | T | 22.2 | Very low | 22.8 | Very low | 121 Ų | 121 | 113.6 Ų | 113.6 | 74% | 0.742 | 68% | 0.675 | S | S | * | * | -165.6 | 101.8 | 113.2 | 23.8 | 0 | 0 | 0 | 0 | 106 | |||||
| 727 | T | 21.7 | Very low | 23.2 | Very low | 73 Ų | 73 | 113.4 Ų | 113.4 | 45% | 0.448 | 66% | 0.663 | S | S | . | * | 35.3 | 107 | 98.2 | 58.5 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 728 | T | 23.7 | Very low | 23.5 | Very low | 112 Ų | 112 | 114.6 Ų | 114.6 | 69% | 0.687 | 66% | 0.66 | S | S | * | * | trans | 167.9 | 99.9 | 131.7 | 41.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 729 | T | 24.6 | Very low | 24.2 | Very low | 93 Ų | 93 | 113.4 Ų | 113.4 | 57% | 0.571 | 65% | 0.648 | S | S | * | * | 64.7 | 82.1 | 110.4 | 58.2 | 0 | 0 | 0 | 0 | 113.7 | K1413 | T729-K1413 VanDerWaalsContact CG2-NZ 3.32Š| |||
| 730 | T | 24.5 | Very low | 24.6 | Very low | 110 Ų | 110 | 113 Ų | 113 | 68% | 0.675 | 65% | 0.645 | S | S | * | * | trans | -144.8 | 121.2 | 146.9 | 46 | 0 | 0 | 0 | 0 | 103.6 | ||||
| 731 | T | 22.9 | Very low | 25.5 | Very low | 136 Ų | 136 | 113.2 Ų | 113.2 | 83% | 0.834 | 65% | 0.649 | S | S | * | * | cis | 31.1 | 46.5 | 36.1 | 62.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 732 | N | 22.6 | Very low | 26.1 | Very low | 114 Ų | 114 | 114 Ų | 114 | 61% | 0.61 | 64% | 0.641 | S | S | * | * | trans | -151.5 | 66.8 | 140.8 | -105.8 | -5.7 | 0 | 0 | 0 | 103.5 | N734 | N732-N734 HydrophobicContact CB-CB 4.33Š| ||
| 733 | S | 23.7 | Very low | 26.6 | Very low | 97 Ų | 97 | 111.5 Ų | 111.5 | 68% | 0.678 | 63% | 0.634 | S | S | * | * | -78.3 | 105.6 | 127.8 | 71.9 | 0 | 0 | 0 | 0 | 103.5 | |||||
| 734 | N | 21.9 | Very low | 27.3 | Very low | 118 Ų | 118 | 110.2 Ų | 110.2 | 63% | 0.631 | 63% | 0.629 | S | S | * | * | cis | 21.1 | 49.9 | 26.1 | -82.5 | -2 | 0 | 0 | 0 | 110.3 | N732 V736 | N732-N734 HydrophobicContact CB-CB 4.33Å; N734-V736 HydrophobicContact CB-CG2 4.28Å; N734-V736 PolarHBondContact O-N 3.24Å | ||
| 735 | H | 22 | Very low | 27.9 | Very low | 137 Ų | 137 | 112.6 Ų | 112.6 | 63% | 0.634 | 63% | 0.632 | S | S | * | * | trans | -61.4 | 72.1 | 138.3 | -142.6 | -68.3 | 0 | 0 | 0 | 103.6 | K737 | H735-K737 PolarHBondContact O-N 3.49Š| ||
| 736 | V | 31 | Very low | 28.9 | Very low | 112 Ų | 112 | 115.8 Ų | 115.8 | 68% | 0.679 | 64% | 0.64 | S | S | * | * | trans | -58.3 | 92.8 | 141.7 | 173.1 | 0 | 0 | 0 | 0 | 101.2 | N734 E738 | N734-V736 HydrophobicContact CB-CG2 4.28Å; N734-V736 PolarHBondContact O-N 3.24Å; V736-E738 PolarHBondContact O-N 3.15Å | ||
| 737 | K | 29.6 | Very low | 29.7 | Very low | 127 Ų | 127 | 117 Ų | 117 | 55% | 0.552 | 64% | 0.642 | S | S | * | * | trans | 7.1 | 87.5 | 156.7 | -63.3 | -173.7 | 170.5 | -150.3 | 0 | 111.5 | H735 N739 D744 | H735-K737 PolarHBondContact O-N 3.49Å; K737-N739 PolarHBondContact O-N 2.82Å; K737-N739 PolarHBondContact O-ND2 3.47Å; K737-D744 IonicContact NZ-OD1 3.9Å; K737-D744 PolarHBondContact NZ-OD1 2.92Å | ||
| 738 | E | 30.6 | Very low | 30.6 | Very low | 149 Ų | 149 | 116.3 Ų | 116.3 | 70% | 0.696 | 64% | 0.635 | S | S | * | * | trans | -57.2 | 106.7 | 146.9 | -90.5 | -172.5 | 169.7 | 0 | 0 | 103.4 | V736 V740 | V736-E738 PolarHBondContact O-N 3.15Å; E738-V740 HydrophobicContact CB-CG2 4.5Å; E738-V740 PolarHBondContact O-N 3.38Å | ||
| 739 | N | 37.6 | Very low | 31.4 | Very low | 113 Ų | 113 | 115.9 Ų | 115.9 | 60% | 0.604 | 63% | 0.629 | S | S | * | * | trans | -67.2 | 66.9 | 173.5 | -60 | -64.7 | 0 | 0 | 0 | 106.4 | K737 P741 | K737-N739 PolarHBondContact O-N 2.82Å; K737-N739 PolarHBondContact O-ND2 3.47Å; N739-P741 WeakPolarHBondContact O-CD 3.31Å | ||
| 740 | V | 30.8 | Very low | 32 | Very low | 90 Ų | 90 | 117.5 Ų | 117.5 | 55% | 0.545 | 63% | 0.634 | S | S | . | * | trans | -60.7 | 121.8 | 152.7 | -171 | 0 | 0 | 0 | 0 | 102.9 | E738 F742 G743 | E738-V740 HydrophobicContact CB-CG2 4.5Å; E738-V740 PolarHBondContact O-N 3.38Å; V740-F742 PolarHBondContact O-N 3.02Å; V740-G743 PolarHBondContact O-N 2.84Å | ||
| 741 | P | 38.6 | Very low | 33 | Very low | 110 Ų | 110 | 119.3 Ų | 119.3 | 71% | 0.714 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | 12.1 | -167.2 | -25.2 | 34.2 | 0 | 0 | 0 | 116.7 | N739 | N739-P741 WeakPolarHBondContact O-CD 3.31Š|
| 742 | F | 36.4 | Very low | 34.3 | Very low | 147 Ų | 147 | 116.8 Ų | 116.8 | 65% | 0.645 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.2 | 10.9 | 179.2 | -56.2 | -72.6 | 0 | 0 | 0 | 113.6 | V740 D744 F745 | V740-F742 PolarHBondContact O-N 3.02Å; F742-D744 PolarHBondContact O-N 3.19Å; F742-F745 HydrophobicContact CB-CD2 4.3Å; F742-F745 HydrophobicContact CD1-CD2 4.37Å; F742-F745 HydrophobicContact CD1-CE2 4.18Å; F742-F745 PolarHBondContact O-N 3.06Å |
| 743 | G | 30.9 | Very low | 35.1 | Very low | 44 Ų | 44 | 114.5 Ų | 114.5 | 45% | 0.454 | 60% | 0.602 | S | S | . | * | G | 310 helix | trans | -62.1 | -24.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | V740 F745 Q746 | V740-G743 PolarHBondContact O-N 2.84Å; G743-F745 PolarHBondContact O-N 3.29Å; G743-Q746 PolarHBondContact O-N 3.39Å |
| 744 | D | 38.6 | Very low | 36 | Very low | 123 Ų | 123 | 112.8 Ų | 112.8 | 66% | 0.658 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -74.8 | 0.3 | 178.3 | -69 | -30.4 | 0 | 0 | 0 | 113.5 | K737 F742 | K737-D744 IonicContact NZ-OD1 3.9Å; K737-D744 PolarHBondContact NZ-OD1 2.92Å; F742-D744 PolarHBondContact O-N 3.19Å |
| 745 | F | 32.5 | Very low | 37.4 | Very low | 140 Ų | 140 | 112.2 Ų | 112.2 | 61% | 0.614 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -87.9 | -15.4 | 172.9 | -76.8 | -81.6 | 0 | 0 | 0 | 114.3 | F742 G743 I748 | F742-F745 HydrophobicContact CB-CD2 4.3Å; F742-F745 HydrophobicContact CD1-CD2 4.37Å; F742-F745 HydrophobicContact CD1-CE2 4.18Å; F742-F745 PolarHBondContact O-N 3.06Å; G743-F745 PolarHBondContact O-N 3.29Å; F745-I748 HydrophobicContact CD1-CD1 3.62Å; F745-I748 HydrophobicContact CE1-CD1 4.26Å |
| 746 | Q | 41 | Very low | 38.4 | Very low | 166 Ų | 166 | 111.2 Ų | 111.2 | 78% | 0.776 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -22.9 | -176.7 | -166.1 | 58.3 | 52.6 | 0 | 0 | 113.1 | G743 | G743-Q746 PolarHBondContact O-N 3.39Š|
| 747 | D | 39.3 | Very low | 38.8 | Very low | 147 Ų | 147 | 108.3 Ų | 108.3 | 79% | 0.786 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 19.5 | -179.5 | -69.5 | -24.3 | 0 | 0 | 0 | 113 | D749 | D747-D749 PolarHBondContact O-N 3.02Š|
| 748 | I | 39 | Very low | 39.5 | Very low | 57 Ų | 57 | 110.1 Ų | 110.1 | 29% | 0.292 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -68.5 | 110.4 | 167 | -57.8 | 176.4 | 0 | 0 | 0 | 106.4 | F745 N750 I752 I753 | F745-I748 HydrophobicContact CD1-CD1 3.62Å; F745-I748 HydrophobicContact CE1-CD1 4.26Å; I748-N750 PolarHBondContact O-N 2.99Å; I748-I752 HydrophobicContact CG2-CB 3.88Å; I748-I752 HydrophobicContact CG2-CG2 3.81Å; I748-I753 HydrophobicContact CB-CD1 4.08Å; I748-I753 HydrophobicContact CB-CG1 3.98Å; I748-I753 HydrophobicContact CG2-CD1 4.19Å; I748-I753 HydrophobicContact CG2-CG1 3.51Å |
| 749 | D | 41.7 | Very low | 40 | Very low | 104 Ų | 104 | 110 Ų | 110 | 56% | 0.556 | 56% | 0.563 | S | S | * | * | trans | -43.8 | 125.5 | 179.8 | -135.7 | -21.7 | 0 | 0 | 0 | 109.1 | D747 Q751 I752 I753 | D747-D749 PolarHBondContact O-N 3.02Å; D749-Q751 CarbonylContact O-C 3.49Å; D749-Q751 PolarHBondContact O-N 3.5Å; D749-I752 HydrophobicContact CB-CB 4.46Å; D749-I752 HydrophobicContact CB-CD1 3.93Å; D749-I752 HydrophobicContact CB-CG1 4Å; D749-I752 WeakPolarHBondContact O-CA 3.29Å; D749-I752 WeakPolarHBondContact O-CB 3.38Å; D749-I752 PolarHBondContact O-N 3.3Å; D749-I753 PolarHBondContact O-N 2.85Å; D749-I753 VanDerWaalsContact O-N 3.1Å | ||
| 750 | N | 37.1 | Very low | 39.9 | Very low | 126 Ų | 126 | 108.5 Ų | 108.5 | 67% | 0.674 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -55.7 | -22.4 | -176.9 | -78.4 | -42 | 0 | 0 | 0 | 111.4 | I748 S754 | I748-N750 PolarHBondContact O-N 2.99Å; N750-S754 WeakPolarHBondContact O-CB 3.37Å; N750-S754 PolarHBondContact O-N 3.46Å; N750-S754 PolarHBondContact O-OG 2.87Å |
| 751 | Q | 44.6 | Very low | 39.9 | Very low | 149 Ų | 149 | 111.5 Ų | 111.5 | 70% | 0.696 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -68.9 | -36.8 | 170 | -85 | 174.3 | 1.1 | 0 | 0 | 114.2 | D749 S754 E755 | D749-Q751 CarbonylContact O-C 3.49Å; D749-Q751 PolarHBondContact O-N 3.5Å; Q751-S754 PolarHBondContact O-N 2.96Å; Q751-E755 VanDerWaalsContact O-CB 3.3Å; Q751-E755 WeakPolarHBondContact O-CB 3.37Å; Q751-E755 PolarHBondContact O-N 3Å |
| 752 | I | 51.3 | Low | 39.5 | Very low | 83 Ų | 83 | 111.3 Ų | 111.3 | 43% | 0.426 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -69.8 | -41.9 | 173.7 | -62.5 | 171.7 | 0 | 0 | 0 | 109.9 | I748 D749 S754 E755 F756 | I748-I752 HydrophobicContact CG2-CB 3.88Å; I748-I752 HydrophobicContact CG2-CG2 3.81Å; D749-I752 HydrophobicContact CB-CB 4.46Å; D749-I752 HydrophobicContact CB-CD1 3.93Å; D749-I752 HydrophobicContact CB-CG1 4Å; D749-I752 WeakPolarHBondContact O-CA 3.29Å; D749-I752 WeakPolarHBondContact O-CB 3.38Å; D749-I752 PolarHBondContact O-N 3.3Å; I752-S754 VanDerWaalsContact C-N 3.33Å; I752-E755 CarbonylContact O-C 3.52Å; I752-E755 WeakPolarHBondContact O-CB 3.4Å; I752-E755 PolarHBondContact O-N 3.21Å; I752-F756 HydrophobicContact CG2-CD2 3.74Å; I752-F756 HydrophobicContact CG2-CE2 4.06Å; I752-F756 WeakPolarHBondContact O-CB 3.27Å; I752-F756 WeakPolarHBondContact O-CD2 2.91Å; I752-F756 PolarHBondContact O-N 3.41Å |
| 753 | I | 39 | Very low | 39 | Very low | 65 Ų | 65 | 109 Ų | 109 | 33% | 0.333 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64 | -42.2 | 173.6 | -56.6 | -179.6 | 0 | 0 | 0 | 109.9 | I748 D749 E755 F756 I757 | I748-I753 HydrophobicContact CB-CD1 4.08Å; I748-I753 HydrophobicContact CB-CG1 3.98Å; I748-I753 HydrophobicContact CG2-CD1 4.19Å; I748-I753 HydrophobicContact CG2-CG1 3.51Å; D749-I753 PolarHBondContact O-N 2.85Å; D749-I753 VanDerWaalsContact O-N 3.1Å; I753-E755 VanDerWaalsContact C-N 3.31Å; I753-E755 PolarHBondContact O-N 3.32Å; I753-F756 PolarHBondContact O-N 3.3Å; I753-I757 HydrophobicContact CG2-CD1 3.63Å; I753-I757 HydrophobicContact CG2-CG1 4.16Å; I753-I757 WeakPolarHBondContact O-CB 3.49Å; I753-I757 VanDerWaalsContact O-CG1 3.24Å; I753-I757 WeakPolarHBondContact O-CG1 3.39Å; I753-I757 PolarHBondContact O-N 3.17Å |
| 754 | S | 43.3 | Very low | 38.9 | Very low | 62 Ų | 62 | 111.1 Ų | 111.1 | 43% | 0.434 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63 | -37.8 | 174.3 | -59.9 | 0 | 0 | 0 | 0 | 111.9 | N750 Q751 I752 K758 | N750-S754 WeakPolarHBondContact O-CB 3.37Å; N750-S754 PolarHBondContact O-N 3.46Å; N750-S754 PolarHBondContact O-OG 2.87Å; Q751-S754 PolarHBondContact O-N 2.96Å; I752-S754 VanDerWaalsContact C-N 3.33Å; S754-K758 WeakPolarHBondContact O-CB 3.45Å; S754-K758 WeakPolarHBondContact O-CG 3.41Å; S754-K758 PolarHBondContact O-N 2.92Å |
| 755 | E | 50.1 | Low | 38.1 | Very low | 105 Ų | 105 | 110.6 Ų | 110.6 | 49% | 0.491 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.6 | -38.7 | 173.6 | -92.4 | -127.1 | 169 | 0 | 0 | 112 | Q751 I752 I753 K758 K759 | Q751-E755 VanDerWaalsContact O-CB 3.3Å; Q751-E755 WeakPolarHBondContact O-CB 3.37Å; Q751-E755 PolarHBondContact O-N 3Å; I752-E755 CarbonylContact O-C 3.52Å; I752-E755 WeakPolarHBondContact O-CB 3.4Å; I752-E755 PolarHBondContact O-N 3.21Å; I753-E755 VanDerWaalsContact C-N 3.31Å; I753-E755 PolarHBondContact O-N 3.32Å; E755-K758 CarbonylContact O-C 3.56Å; E755-K758 PolarHBondContact O-N 3.05Å; E755-K759 VanDerWaalsContact O-CB 3.23Å; E755-K759 WeakPolarHBondContact O-CB 3.46Å; E755-K759 WeakPolarHBondContact O-CG 3.07Å; E755-K759 PolarHBondContact O-N 2.84Å; E755-K759 IonicContact OE2-NZ 2.73Å; E755-K759 PolarHBondContact OE2-NZ 3.38Å |
| 756 | F | 42.7 | Very low | 37.8 | Very low | 116 Ų | 116 | 105.6 Ų | 105.6 | 51% | 0.509 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -73.3 | -38.6 | 178.1 | -100.7 | -82.5 | 0 | 0 | 0 | 111.8 | I752 I753 K758 K759 D760 | I752-F756 HydrophobicContact CG2-CD2 3.74Å; I752-F756 HydrophobicContact CG2-CE2 4.06Å; I752-F756 WeakPolarHBondContact O-CB 3.27Å; I752-F756 WeakPolarHBondContact O-CD2 2.91Å; I752-F756 PolarHBondContact O-N 3.41Å; I753-F756 PolarHBondContact O-N 3.3Å; F756-K758 VanDerWaalsContact C-N 3.3Å; F756-K759 PolarHBondContact O-N 3.4Å; F756-D760 WeakPolarHBondContact O-CA 3.39Å; F756-D760 PolarHBondContact O-N 3.03Å |
| 757 | I | 40.4 | Very low | 37.2 | Very low | 51 Ų | 51 | 99.3 Ų | 99.3 | 26% | 0.262 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.3 | -34 | 171 | -67.7 | 171.6 | 0 | 0 | 0 | 110.3 | I753 H761 L763 N764 | I753-I757 HydrophobicContact CG2-CD1 3.63Å; I753-I757 HydrophobicContact CG2-CG1 4.16Å; I753-I757 WeakPolarHBondContact O-CB 3.49Å; I753-I757 VanDerWaalsContact O-CG1 3.24Å; I753-I757 WeakPolarHBondContact O-CG1 3.39Å; I753-I757 PolarHBondContact O-N 3.17Å; I757-H761 PolarHBondContact O-ND1 3.15Å; I757-L763 HydrophobicContact CG1-CB 4.35Å; I757-N764 VanDerWaalsContact CG2-OD1 3.24Å; I757-N764 WeakPolarHBondContact CG2-OD1 3.18Å |
| 758 | K | 43.6 | Very low | 36.6 | Very low | 165 Ų | 165 | 93.4 Ų | 93.4 | 72% | 0.717 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -69.5 | -33.7 | 170.9 | -85.2 | 178 | 174.7 | 179.7 | 0 | 112.8 | S754 E755 F756 | S754-K758 WeakPolarHBondContact O-CB 3.45Å; S754-K758 WeakPolarHBondContact O-CG 3.41Å; S754-K758 PolarHBondContact O-N 2.92Å; E755-K758 CarbonylContact O-C 3.56Å; E755-K758 PolarHBondContact O-N 3.05Å; F756-K758 VanDerWaalsContact C-N 3.3Å |
| 759 | K | 40.6 | Very low | 36 | Very low | 148 Ų | 148 | 92 Ų | 92 | 64% | 0.643 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -84.4 | -31.9 | 179.9 | -84.1 | 171.1 | 173.9 | 152.7 | 0 | 112.8 | E755 F756 | E755-K759 VanDerWaalsContact O-CB 3.23Å; E755-K759 WeakPolarHBondContact O-CB 3.46Å; E755-K759 WeakPolarHBondContact O-CG 3.07Å; E755-K759 PolarHBondContact O-N 2.84Å; E755-K759 IonicContact OE2-NZ 2.73Å; E755-K759 PolarHBondContact OE2-NZ 3.38Å; F756-K759 PolarHBondContact O-N 3.4Å |
| 760 | D | 35.6 | Very low | 35.5 | Very low | 81 Ų | 81 | 87.7 Ų | 87.7 | 43% | 0.433 | 46% | 0.459 | S | S | . | . | trans | -130.9 | 94.1 | -178.7 | -90.6 | -41.4 | 0 | 0 | 0 | 111.1 | F756 C762 L763 | F756-D760 WeakPolarHBondContact O-CA 3.39Å; F756-D760 PolarHBondContact O-N 3.03Å; D760-C762 PolarHBondContact O-N 2.84Å; D760-L763 HydrophobicContact CB-CD1 4.29Å; D760-L763 PolarHBondContact O-N 3.31Å | ||
| 761 | H | 31.3 | Very low | 35.1 | Very low | 153 Ų | 153 | 83.1 Ų | 83.1 | 71% | 0.708 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -62.7 | -7.7 | 177.3 | -66.4 | -29.1 | 0 | 0 | 0 | 114.5 | I757 L763 | I757-H761 PolarHBondContact O-ND1 3.15Å; H761-L763 PolarHBondContact O-N 3.09Å |
| 762 | C | 30.8 | Very low | 34.4 | Very low | 105 Ų | 105 | 81.3 Ų | 81.3 | 71% | 0.709 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -63.7 | -20.5 | 174.6 | -41.1 | 0 | 0 | 0 | 0 | 113 | D760 | D760-C762 PolarHBondContact O-N 2.84Š|
| 763 | L | 26.4 | Very low | 33.4 | Very low | 99 Ų | 99 | 78 Ų | 78 | 52% | 0.518 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -95.8 | 9.6 | -167.5 | -65.8 | 173.4 | 0 | 0 | 0 | 115 | I757 D760 H761 P765 | I757-L763 HydrophobicContact CG1-CB 4.35Å; D760-L763 HydrophobicContact CB-CD1 4.29Å; D760-L763 PolarHBondContact O-N 3.31Å; H761-L763 PolarHBondContact O-N 3.09Å; L763-P765 VanDerWaalsContact O-CD 3.25Å; L763-P765 WeakPolarHBondContact O-CD 3.35Å |
| 764 | N | 27.4 | Very low | 33 | Very low | 89 Ų | 89 | 75.7 Ų | 75.7 | 48% | 0.476 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -92.6 | 106.6 | 171.1 | -79.4 | -22.2 | 0 | 0 | 0 | 110.7 | I757 | I757-N764 VanDerWaalsContact CG2-OD1 3.24Å; I757-N764 WeakPolarHBondContact CG2-OD1 3.18Å |
| 765 | P | 23.6 | Very low | 32.6 | Very low | 112 Ų | 112 | 73.6 Ų | 73.6 | 73% | 0.727 | 39% | 0.388 | S | S | * | . | trans | -73.4 | 132.7 | -175.4 | 28.4 | -33 | 0 | 0 | 0 | 111.8 | L763 | L763-P765 VanDerWaalsContact O-CD 3.25Å; L763-P765 WeakPolarHBondContact O-CD 3.35Å | ||
| 766 | S | 25.3 | Very low | 31.6 | Very low | 34 Ų | 34 | 70.9 Ų | 70.9 | 24% | 0.238 | 37% | 0.373 | C | S | . | . | trans | -107.5 | 152.9 | -168.1 | 77.2 | 0 | 0 | 0 | 0 | 115.5 | N496 Y768 | N496-S766 PolarHBondContact OD1-O 3.28Å; N496-S766 VanDerWaalsContact OD1-O 3.13Å; S766-Y768 PolarHBondContact O-N 3.09Å | ||
| 767 | P | 27.3 | Very low | 30.8 | Very low | 35 Ų | 35 | 69.8 Ų | 69.8 | 23% | 0.227 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -87.3 | 8.6 | -146.5 | -23.6 | 42.1 | 0 | 0 | 0 | 121.9 | W492 N496 | W492-P767 HydrophobicContact CE3-CB 3.59Å; W492-P767 HydrophobicContact CE3-CG 4.33Å; W492-P767 HydrophobicContact CH2-CB 4.31Å; W492-P767 HydrophobicContact CH2-CG 4.28Å; W492-P767 HydrophobicContact CZ3-CB 3.25Å; W492-P767 HydrophobicContact CZ3-CG 3.5Å; W492-P767 VanDerWaalsContact CZ3-CG 3.5Å; N496-P767 WeakPolarHBondContact ND2-CA 3.49Å; N496-P767 WeakPolarHBondContact ND2-CB 3.18Å; N496-P767 PolarHBondContact ND2-O 3.48Å; N496-P767 WeakPolarHBondContact OD1-CA 3.3Å; N496-P767 PolarHBondContact OD1-O 3.26Å |
| 768 | Y | 27.3 | Very low | 30.3 | Very low | 23 Ų | 23 | 67.4 Ų | 67.4 | 9% | 0.09 | 36% | 0.358 | C | S | . | . | trans | -143.5 | 43.6 | -168.6 | -78.5 | -62 | 0 | 0 | 0 | 118.2 | W492 E493 N496 P615 S617 S766 S770 | W492-Y768 VanDerWaalsContact C-CZ 3.47Å; W492-Y768 WeakPolarHBondContact CA-OH 3.32Å; W492-Y768 HydrophobicContact CB-CD1 4.44Å; W492-Y768 HydrophobicContact CB-CE1 3.19Å; W492-Y768 HydrophobicContact CB-CE2 3.92Å; W492-Y768 WeakPolarHBondContact CB-OH 3.48Å; W492-Y768 HydrophobicContact CD2-CE1 4.35Å; W492-Y768 AromaticContact CD2-CE2 3.28Å; W492-Y768 HydrophobicContact CD2-CE2 3.28Å; W492-Y768 AromaticContact CD2-CZ 3.17Å; W492-Y768 AromaticContact CE3-CE2 3.24Å; W492-Y768 HydrophobicContact CE3-CE2 3.24Å; W492-Y768 AromaticContact CE3-CZ 3.23Å; W492-Y768 AromaticContact CG-CE1 3.97Å; W492-Y768 HydrophobicContact CG-CE1 3.97Å; W492-Y768 AromaticContact CG-CE2 3.7Å; W492-Y768 HydrophobicContact CG-CE2 3.7Å; W492-Y768 AromaticContact CG-CZ 3.19Å; W492-Y768 HydrophobicContact CH2-CE2 4.27Å; W492-Y768 HydrophobicContact CZ2-CE2 4.43Å; W492-Y768 AromaticContact CZ3-CE2 3.72Å; W492-Y768 HydrophobicContact CZ3-CE2 3.72Å; W492-Y768 WeakPolarHBondContact O-CE1 3.36Å; W492-Y768 PolarHBondContact O-OH 3.18Å; E493-Y768 WeakPolarHBondContact CA-OH 3.47Å; E493-Y768 PolarHBondContact N-OH 3.01Å; N496-Y768 PolarHBondContact OD1-N 3.4Å; P615-Y768 HydrophobicContact CB-CD2 4.39Å; S617-Y768 PolarHBondContact N-O 3.08Å; S766-Y768 PolarHBondContact O-N 3.09Å; Y768-S770 VanDerWaalsContact C-N 3.26Å; Y768-S770 PolarHBondContact O-N 3.36Å | ||
| 769 | A | 26.3 | Very low | 29.5 | Very low | 28 Ų | 28 | 59.8 Ų | 59.8 | 23% | 0.231 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 17.8 | -162.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | P497 S617 | P497-A769 HydrophobicContact CG-CB 3.1Å; S617-A769 VanDerWaalsContact CA-CB 3.47Å; S617-A769 WeakPolarHBondContact CB-O 3.25Å; S617-A769 WeakPolarHBondContact OG-CA 3.46Å; S617-A769 PolarHBondContact OG-O 3.39Å |
| 770 | S | 32.7 | Very low | 28.9 | Very low | 13 Ų | 13 | 55 Ų | 55 | 9% | 0.091 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -141 | 24.7 | -154.4 | 58.2 | 0 | 0 | 0 | 0 | 119.3 | E265 Q268 Y768 | E265-S770 WeakPolarHBondContact CG-O 3.14Å; Q268-S770 VanDerWaalsContact CD-OG 3.3Å; Q268-S770 VanDerWaalsContact NE2-CB 3.31Å; Q268-S770 PolarHBondContact NE2-OG 3.45Å; Q268-S770 PolarHBondContact OE1-O 3.05Å; Q268-S770 PolarHBondContact OE1-OG 3.28Å; Y768-S770 VanDerWaalsContact C-N 3.26Å; Y768-S770 PolarHBondContact O-N 3.36Å |
| 771 | F | 27.8 | Very low | 28.4 | Very low | 29 Ų | 29 | 53.5 Ų | 53.5 | 13% | 0.127 | 30% | 0.302 | C | S | . | . | trans | -125.9 | 97.3 | 171.7 | -65.4 | -72.2 | 0 | 0 | 0 | 112.9 | E265 Q268 F269 L272 W624 | E265-F771 HydrophobicContact CB-CD1 4.29Å; E265-F771 WeakPolarHBondContact O-CE1 3.25Å; Q268-F771 HydrophobicContact CB-CE1 3.87Å; Q268-F771 HydrophobicContact CB-CZ 3.63Å; F269-F771 HydrophobicContact CB-CE1 4.15Å; L272-F771 HydrophobicContact CD1-CE2 3.84Å; L272-F771 HydrophobicContact CD1-CZ 3.78Å; W624-F771 HydrophobicContact CZ2-CD2 4.3Å | ||
| 772 | N | 28.8 | Very low | 28.2 | Very low | 112 Ų | 112 | 50 Ų | 50 | 60% | 0.599 | 29% | 0.285 | S | S | * | . | trans | -98.3 | 89.1 | 172.4 | -51.8 | -70 | 0 | 0 | 0 | 111.9 | E265 Y469 | E265-N772 VanDerWaalsContact OE1-CA 3.3Å; E265-N772 WeakPolarHBondContact OE1-CA 3.35Å; E265-N772 WeakPolarHBondContact OE1-CB 3.4Å; E265-N772 PolarHBondContact OE1-N 3.44Å; E265-N772 PolarHBondContact OE1-ND2 2.98Å; E265-N772 VanDerWaalsContact OE2-C 3.26Å; E265-N772 PolarHBondContact OE2-N 2.98Å; Y469-N772 PolarHBondContact OH-O 3.48Å | ||
| 773 | G | 31.6 | Very low | 28 | Very low | 13 Ų | 13 | 47.6 Ų | 47.6 | 13% | 0.134 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -179.1 | 176.9 | 160.4 | 0 | 0 | 0 | 0 | 0 | 117 | Y469 T775 R776 | Y469-G773 WeakPolarHBondContact OH-CA 3.11Å; Y469-G773 PolarHBondContact OH-N 3.4Å; G773-T775 PolarHBondContact O-N 3.03Å; G773-T775 PolarHBondContact O-OG1 3.49Å; G773-R776 VanDerWaalsContact O-CB 3.25Å; G773-R776 WeakPolarHBondContact O-CB 3.42Å; G773-R776 WeakPolarHBondContact O-CG 3.35Å; G773-R776 PolarHBondContact O-N 2.99Å |
| 774 | P | 30.3 | Very low | 28 | Very low | 17 Ų | 17 | 46.7 Ų | 46.7 | 11% | 0.11 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | 6.4 | -163.7 | -19.6 | 40.9 | 0 | 0 | 0 | 115.1 | T431 S437 E473 R776 Q777 F778 | T431-P774 HydrophobicContact CG2-CB 3.4Å; T431-P774 VanDerWaalsContact CG2-CB 3.4Å; S437-P774 VanDerWaalsContact CA-CD 3.45Å; S437-P774 WeakPolarHBondContact OG-CD 3.35Å; S437-P774 VanDerWaalsContact OG-CG 3.23Å; S437-P774 WeakPolarHBondContact OG-CG 3.41Å; E473-P774 WeakPolarHBondContact OE1-CD 3.47Å; E473-P774 VanDerWaalsContact OE1-N 3.08Å; P774-R776 PolarHBondContact O-N 3.45Å; P774-R776 VanDerWaalsContact O-N 3.11Å; P774-Q777 PolarHBondContact O-N 3.38Å; P774-F778 PolarHBondContact O-N 3.25Å |
| 775 | T | 35 | Very low | 27.7 | Very low | 18 Ų | 18 | 52.4 Ų | 52.4 | 11% | 0.11 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -40.5 | -35.4 | 144 | 21.6 | 0 | 0 | 0 | 0 | 111.1 | E473 G773 F778 L779 | E473-T775 HydrophobicContact CB-CG2 3.47Å; E473-T775 VanDerWaalsContact CB-CG2 3.47Å; E473-T775 HydrophobicContact CG-CG2 3.42Å; E473-T775 VanDerWaalsContact CG-CG2 3.42Å; E473-T775 WeakPolarHBondContact OE1-CB 3.4Å; E473-T775 PolarHBondContact OE1-N 3.34Å; E473-T775 PolarHBondContact OE1-OG1 2.98Å; G773-T775 PolarHBondContact O-N 3.03Å; G773-T775 PolarHBondContact O-OG1 3.49Å; T775-F778 PolarHBondContact O-N 2.64Å; T775-L779 WeakPolarHBondContact O-CG 3.38Å; T775-L779 PolarHBondContact O-N 3.3Å |
| 776 | R | 29.3 | Very low | 27.7 | Very low | 47 Ų | 47 | 52.8 Ų | 52.8 | 18% | 0.177 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -49.7 | -58 | 165.7 | -83.5 | -176.1 | 136.4 | -126 | -14.7 | 114.4 | R620 L621 N623 W624 G773 P774 F778 | R620-R776 VanDerWaalsContact CZ-NH1 3.26Å; L621-R776 PolarHBondContact O-NH2 3.25Å; N623-R776 HydrophobicContact CB-CB 3.71Å; N623-R776 HydrophobicContact CB-CG 3.51Å; N623-R776 VanDerWaalsContact CB-NE 3.26Å; N623-R776 VanDerWaalsContact CB-NH1 3.34Å; N623-R776 PolarHBondContact ND2-NH1 3.01Å; N623-R776 PolarHBondContact OD1-NH1 3.42Å; N623-R776 VanDerWaalsContact OD1-NH1 3.11Å; N623-R776 PolarHBondContact OD1-NH2 3.35Å; W624-R776 HydrophobicContact CB-CG 4.26Å; G773-R776 VanDerWaalsContact O-CB 3.25Å; G773-R776 WeakPolarHBondContact O-CB 3.42Å; G773-R776 WeakPolarHBondContact O-CG 3.35Å; G773-R776 PolarHBondContact O-N 2.99Å; P774-R776 PolarHBondContact O-N 3.45Å; P774-R776 VanDerWaalsContact O-N 3.11Å; R776-F778 PolarHBondContact O-N 3.4Å |
| 777 | Q | 26.3 | Very low | 27.6 | Very low | 93 Ų | 93 | 55 Ų | 55 | 44% | 0.435 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -69.9 | -28 | -177.2 | -72.1 | -170.8 | 11.4 | 0 | 0 | 111.3 | T431 P774 S780 L781 | T431-Q777 HydrophobicContact CG2-CB 3.52Å; T431-Q777 HydrophobicContact CG2-CG 4.12Å; P774-Q777 PolarHBondContact O-N 3.38Å; Q777-S780 PolarHBondContact O-OG 2.91Å; Q777-L781 WeakPolarHBondContact O-CD1 3.48Å |
| 778 | F | 29.7 | Very low | 27.4 | Very low | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.009 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -70.1 | -60.6 | 178.2 | -144.1 | -146.3 | 0 | 0 | 0 | 110.1 | T431 R432 R433 L434 G435 R477 P774 T775 R776 S780 L781 | T431-F778 WeakPolarHBondContact O-CD2 3.28Å; R432-F778 WeakPolarHBondContact O-CD2 3.34Å; R432-F778 WeakPolarHBondContact O-CE2 3.35Å; R433-F778 VanDerWaalsContact CA-CE2 3.43Å; R433-F778 VanDerWaalsContact N-CE2 3.27Å; R433-F778 VanDerWaalsContact O-CZ 3.23Å; R433-F778 WeakPolarHBondContact O-CZ 3.44Å; L434-F778 VanDerWaalsContact C-CE2 3.47Å; L434-F778 VanDerWaalsContact O-CE1 3.24Å; L434-F778 WeakPolarHBondContact O-CE1 3.36Å; L434-F778 WeakPolarHBondContact O-CZ 3.29Å; G435-F778 VanDerWaalsContact CA-CD2 3.45Å; G435-F778 VanDerWaalsContact CA-CE2 3.47Å; G435-F778 VanDerWaalsContact CA-CZ 3.44Å; R477-F778 HydrophobicContact CB-CD1 3.29Å; R477-F778 HydrophobicContact CB-CE1 2.96Å; R477-F778 HydrophobicContact CB-CZ 3.99Å; R477-F778 HydrophobicContact CG-CD1 3.62Å; R477-F778 HydrophobicContact CG-CE1 3Å; R477-F778 HydrophobicContact CG-CZ 3.52Å; R477-F778 VanDerWaalsContact CZ-CD1 3.49Å; R477-F778 VanDerWaalsContact NE-CG 3.26Å; R477-F778 PolarHBondContact NH1-O 3.47Å; R477-F778 VanDerWaalsContact NH2-CA 3.33Å; R477-F778 PolarHBondContact NH2-O 3.04Å; P774-F778 PolarHBondContact O-N 3.25Å; T775-F778 PolarHBondContact O-N 2.64Å; R776-F778 PolarHBondContact O-N 3.4Å; F778-S780 PolarHBondContact O-N 2.93Å; F778-L781 PolarHBondContact O-N 3.01Å |
| 779 | L | 26.7 | Very low | 27.3 | Very low | 4 Ų | 4 | 62.6 Ų | 62.6 | 2% | 0.021 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.8 | -19.4 | -173.2 | -62.3 | -162.3 | 0 | 0 | 0 | 114.1 | W624 T775 | W624-L779 HydrophobicContact CB-CB 4.25Å; W624-L779 HydrophobicContact CB-CD1 3.92Å; W624-L779 HydrophobicContact CB-CG 4.25Å; W624-L779 HydrophobicContact CE3-CD1 4.19Å; W624-L779 WeakPolarHBondContact O-CB 3.22Å; T775-L779 WeakPolarHBondContact O-CG 3.38Å; T775-L779 PolarHBondContact O-N 3.3Å |
| 780 | S | 27.3 | Very low | 27.1 | Very low | 48 Ų | 48 | 64.8 Ų | 64.8 | 34% | 0.336 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -76.2 | -17.7 | 172.6 | 75.7 | 0 | 0 | 0 | 0 | 116.6 | Q777 F778 | Q777-S780 PolarHBondContact O-OG 2.91Å; F778-S780 PolarHBondContact O-N 2.93Å |
| 781 | L | 25.6 | Very low | 26.6 | Very low | 49 Ų | 49 | 72 Ų | 72 | 26% | 0.257 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -101.6 | -15.9 | -170.3 | -76.9 | 148.8 | 0 | 0 | 0 | 115.6 | R432 Q777 F778 S784 | R432-L781 HydrophobicContact CB-CD1 3.5Å; R432-L781 VanDerWaalsContact CB-CD1 3.5Å; R432-L781 HydrophobicContact CG-CB 3.9Å; R432-L781 HydrophobicContact CG-CD1 3.26Å; R432-L781 HydrophobicContact CG-CD2 3.96Å; R432-L781 HydrophobicContact CG-CG 3.84Å; Q777-L781 WeakPolarHBondContact O-CD1 3.48Å; F778-L781 PolarHBondContact O-N 3.01Å; L781-S784 PolarHBondContact O-OG 2.9Å |
| 782 | Q | 27.2 | Very low | 26.3 | Very low | 79 Ų | 79 | 81.7 Ų | 81.7 | 37% | 0.369 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -84.1 | -29.2 | 179.9 | -156.8 | 110.7 | -40.4 | 0 | 0 | 112.2 | S784 R785 | Q782-S784 PolarHBondContact O-N 2.67Å; Q782-R785 PolarHBondContact O-N 3.18Å |
| 783 | L | 25.9 | Very low | 26.1 | Very low | 56 Ų | 56 | 86.6 Ų | 86.6 | 29% | 0.293 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -4.5 | -179.6 | -80.7 | 140.5 | 0 | 0 | 0 | 113.6 | H626 R785 | H626-L783 HydrophobicContact CB-CD1 3.58Å; H626-L783 WeakPolarHBondContact CD2-CB 3.27Å; H626-L783 WeakPolarHBondContact CD2-CD1 3.29Å; H626-L783 WeakPolarHBondContact CE1-CB 3.46Å; H626-L783 WeakPolarHBondContact NE2-CB 3.37Å; L783-R785 VanDerWaalsContact C-N 3.33Å |
| 784 | S | 26.3 | Very low | 25.7 | Very low | 80 Ų | 80 | 91.9 Ų | 91.9 | 56% | 0.559 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | 1.6 | 167.1 | 75.6 | 0 | 0 | 0 | 0 | 113.6 | L781 Q782 | L781-S784 PolarHBondContact O-OG 2.9Å; Q782-S784 PolarHBondContact O-N 2.67Å |
| 785 | R | 22.3 | Very low | 25.3 | Very low | 208 Ų | 208 | 96.5 Ų | 96.5 | 79% | 0.785 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -106.4 | -13.6 | 178.3 | -76.6 | -170.2 | 176.4 | -133.1 | -0.8 | 115.1 | Q782 L783 | Q782-R785 PolarHBondContact O-N 3.18Å; L783-R785 VanDerWaalsContact C-N 3.33Å |
| 786 | T | 23.1 | Very low | 24.8 | Very low | 120 Ų | 120 | 104.4 Ų | 104.4 | 74% | 0.736 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -95.5 | 3.1 | 176.8 | 49.2 | 0 | 0 | 0 | 0 | 114.1 | ||
| 787 | A | 22.7 | Very low | 24.6 | Very low | 81 Ų | 81 | 113.4 Ų | 113.4 | 67% | 0.669 | 62% | 0.615 | S | S | * | * | trans | -121.3 | 54.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 788 | V | 23.9 | Very low | 24.5 | Very low | 143 Ų | 143 | 114.2 Ų | 114.2 | 87% | 0.867 | 63% | 0.63 | S | S | * | * | trans | -136.4 | 68.4 | 159.3 | -168.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 789 | G | 23.7 | Very low | 24.3 | Very low | 74 Ų | 74 | 119.3 Ų | 119.3 | 76% | 0.763 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -155.1 | 97.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||
| 790 | G | 22.8 | Very low | 24.4 | Very low | 74 Ų | 74 | 131 Ų | 131 | 76% | 0.763 | 71% | 0.71 | S | S | * | * | trans | -66.1 | 141.8 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 791 | L | 21.6 | Very low | 24.4 | Very low | 165 Ų | 165 | 139.8 Ų | 139.8 | 86% | 0.864 | 74% | 0.736 | S | S | * | * | 20.1 | 107.8 | 125.4 | -66.6 | 164.4 | 0 | 0 | 0 | 116.5 | |||||
| 792 | R | 21.9 | Very low | 24.3 | Very low | 232 Ų | 232 | 144.8 Ų | 144.8 | 88% | 0.875 | 76% | 0.763 | S | S | * | * | 168.5 | 108.5 | 128.5 | -96.4 | 179.3 | -101.3 | -144.2 | 0.8 | 109 | |||||
| 793 | F | 24.6 | Very low | 24.5 | Very low | 216 Ų | 216 | 150.4 Ų | 150.4 | 95% | 0.947 | 79% | 0.786 | S | S | * | * | trans | -171.6 | 110.6 | 131.8 | -95 | -66.1 | 0 | 0 | 0 | 108.2 | ||||
| 794 | C | 24.3 | Very low | 24.5 | Very low | 123 Ų | 123 | 154.3 Ų | 154.3 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | trans | -69.6 | 132.1 | 176.5 | -60.4 | 0 | 0 | 0 | 0 | 110.9 | K796 | C794-K796 PolarHBondContact O-N 3.4Š| ||
| 795 | S | 21.3 | Very low | 24.3 | Very low | 114 Ų | 114 | 156.5 Ų | 156.5 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | trans | 9.6 | 103.5 | 134 | 172.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 796 | K | 23.3 | Very low | 24.6 | Very low | 184 Ų | 184 | 153 Ų | 153 | 80% | 0.8 | 82% | 0.819 | S | S | * | * | trans | -149.6 | 152.6 | 140.9 | -70.2 | -163.8 | 179.8 | 175.5 | 0 | 107.7 | C794 | C794-K796 PolarHBondContact O-N 3.4Š| ||
| 797 | Y | 26.7 | Very low | 24.7 | Very low | 237 Ų | 237 | 158.2 Ų | 158.2 | 93% | 0.929 | 83% | 0.825 | S | S | * | * | trans | 92.1 | 61.8 | -171.9 | -53.6 | -70.9 | 0 | 0 | 0 | 115.5 | ||||
| 798 | S | 23.4 | Very low | 25.1 | Very low | 110 Ų | 110 | 160 Ų | 160 | 77% | 0.769 | 83% | 0.828 | S | S | * | * | trans | -117.9 | 140.5 | 141.4 | 173.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 799 | S | 26 | Very low | 25.1 | Very low | 109 Ų | 109 | 160.2 Ų | 160.2 | 76% | 0.762 | 82% | 0.824 | S | S | * | * | trans | 82.4 | 82.1 | 167.3 | -53.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 800 | R | 29.3 | Very low | 25.6 | Very low | 249 Ų | 249 | 163.7 Ų | 163.7 | 94% | 0.94 | 83% | 0.826 | S | S | * | * | trans | -115.5 | 92 | 144.1 | -83.9 | -169.5 | 179.3 | -172.2 | 1.6 | 110.2 | ||||
| 801 | R | 25.6 | Very low | 25.9 | Very low | 233 Ų | 233 | 166.9 Ų | 166.9 | 88% | 0.879 | 83% | 0.825 | S | S | * | * | trans | 17.7 | 111.8 | 140.1 | -117.4 | 171.7 | -175.9 | 160.8 | 0.2 | 117.9 | ||||
| 802 | N | 23.8 | Very low | 26.6 | Very low | 154 Ų | 154 | 166 Ų | 166 | 82% | 0.824 | 82% | 0.821 | S | S | * | * | trans | -44.8 | 123.3 | 148.4 | -145.1 | 0.1 | 0 | 0 | 0 | 110.9 | ||||
| 803 | K | 31.5 | Very low | 27.1 | Very low | 197 Ų | 197 | 161.9 Ų | 161.9 | 86% | 0.857 | 82% | 0.817 | S | S | * | * | trans | -133.5 | 127.1 | 170.4 | -109.7 | -174.3 | 179.1 | -176.8 | 0 | 109.5 | ||||
| 804 | N | 25.3 | Very low | 27.4 | Very low | 138 Ų | 138 | 159 Ų | 159 | 74% | 0.738 | 81% | 0.811 | S | S | * | * | trans | -71 | 144.5 | -172.2 | -76.8 | -3 | 0 | 0 | 0 | 114.7 | ||||
| 805 | T | 23 | Very low | 27.9 | Very low | 125 Ų | 125 | 160.8 Ų | 160.8 | 77% | 0.767 | 81% | 0.812 | S | S | * | * | trans | 25.8 | 117 | 136.9 | 58 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 806 | V | 29.2 | Very low | 28.4 | Very low | 136 Ų | 136 | 162.9 Ų | 162.9 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | trans | -165.5 | 107.8 | 141.8 | 177.3 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 807 | R | 24 | Very low | 28.7 | Very low | 228 Ų | 228 | 157 Ų | 157 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | 61.2 | 142.4 | 95 | -71.9 | -167.8 | 175.3 | -147.3 | -0.9 | 117 | |||||
| 808 | T | 31.2 | Very low | 29.1 | Very low | 120 Ų | 120 | 153.4 Ų | 153.4 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | trans | 80.6 | 105.8 | 165.6 | 68.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 809 | N | 24.1 | Very low | 29.7 | Very low | 146 Ų | 146 | 155.9 Ų | 155.9 | 78% | 0.781 | 81% | 0.807 | S | S | * | * | 68.9 | 145.1 | 80 | -71.1 | 8.5 | 0 | 0 | 0 | 112.1 | |||||
| 810 | D | 33.6 | Very low | 30.1 | Very low | 148 Ų | 148 | 158 Ų | 158 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | trans | 103.8 | 87.2 | -174.3 | -48.6 | -17.3 | 0 | 0 | 0 | 109.4 | ||||
| 811 | D | 30.6 | Very low | 30.3 | Very low | 141 Ų | 141 | 153.1 Ų | 153.1 | 75% | 0.754 | 80% | 0.803 | S | S | * | * | 61 | 109 | 79.8 | -65.2 | -31.1 | 0 | 0 | 0 | 111.1 | |||||
| 812 | D | 35 | Very low | 30.7 | Very low | 147 Ų | 147 | 149.8 Ų | 149.8 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | trans | 152.9 | 120.9 | 135.9 | -72.8 | -24.6 | 0 | 0 | 0 | 111.9 | ||||
| 813 | D | 33.3 | Very low | 31.2 | Very low | 145 Ų | 145 | 148.3 Ų | 148.3 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | trans | 77.8 | 106 | 146.6 | -54.7 | -33.2 | 0 | 0 | 0 | 121.3 | ||||
| 814 | D | 30.8 | Very low | 31.1 | Very low | 156 Ų | 156 | 146.7 Ų | 146.7 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | trans | -41.8 | 136.7 | 148.4 | -52 | -71 | 0 | 0 | 0 | 113.2 | ||||
| 815 | D | 33.9 | Very low | 31.2 | Very low | 159 Ų | 159 | 145.3 Ų | 145.3 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | -162.3 | 98.7 | 130.9 | -139.9 | -4.1 | 0 | 0 | 0 | 110 | G817 | D815-G817 PolarHBondContact O-N 3.14Š| ||
| 816 | D | 32.3 | Very low | 31.5 | Very low | 159 Ų | 159 | 147.3 Ų | 147.3 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | -75.7 | 93 | 161.7 | -74.9 | -50.3 | 0 | 0 | 0 | 107.7 | ||||
| 817 | G | 30.3 | Very low | 31.3 | Very low | 59 Ų | 59 | 146.5 Ų | 146.5 | 61% | 0.608 | 80% | 0.796 | S | S | * | * | trans | -107.4 | 83.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | D815 D819 | D815-G817 PolarHBondContact O-N 3.14Å; G817-D819 PolarHBondContact O-N 3.48Å | ||
| 818 | D | 34.9 | Very low | 31.6 | Very low | 163 Ų | 163 | 140.3 Ų | 140.3 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | trans | -70.6 | 94.7 | 159.9 | -77.6 | -42.4 | 0 | 0 | 0 | 108 | ||||
| 819 | D | 35.6 | Very low | 31.5 | Very low | 162 Ų | 162 | 142.3 Ų | 142.3 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | trans | -92.6 | 123.2 | 169.9 | -87.9 | -37.8 | 0 | 0 | 0 | 110.4 | G817 | G817-D819 PolarHBondContact O-N 3.48Š| ||
| 820 | D | 35.8 | Very low | 31.6 | Very low | 152 Ų | 152 | 143.9 Ų | 143.9 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | trans | -62.6 | 159.2 | -176.8 | -74.6 | -57.8 | 0 | 0 | 0 | 115.2 | D822 | D820-D822 PolarHBondContact O-N 2.99Š| ||
| 821 | D | 33.4 | Very low | 31.4 | Very low | 148 Ų | 148 | 143 Ų | 143 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | -45.6 | 109.1 | 175.9 | -69.2 | -55.8 | 0 | 0 | 0 | 116.2 | T823 | D821-T823 PolarHBondContact O-N 2.87Å; D821-T823 VanDerWaalsContact O-N 3.09Å | ||
| 822 | D | 32.2 | Very low | 31.4 | Very low | 163 Ų | 163 | 141.2 Ų | 141.2 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | trans | -76.9 | 85.4 | 156.8 | -82.2 | -38.9 | 0 | 0 | 0 | 110.1 | D820 E824 | D820-D822 PolarHBondContact O-N 2.99Å; D822-E824 PolarHBondContact O-N 3.25Å | ||
| 823 | T | 34.9 | Very low | 31.2 | Very low | 122 Ų | 122 | 140.2 Ų | 140.2 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | -83.1 | 89.9 | 166.4 | -48.5 | 0 | 0 | 0 | 0 | 109.1 | D821 S825 | D821-T823 PolarHBondContact O-N 2.87Å; D821-T823 VanDerWaalsContact O-N 3.09Å; T823-S825 PolarHBondContact O-N 3.38Å; T823-S825 VanDerWaalsContact O-N 3.11Å | ||
| 824 | E | 29.5 | Very low | 31.1 | Very low | 164 Ų | 164 | 141.3 Ų | 141.3 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | trans | -66.6 | 101.2 | 170.1 | -78.7 | -177 | 153.9 | 0 | 0 | 111 | D822 | D822-E824 PolarHBondContact O-N 3.25Š| ||
| 825 | S | 28.3 | Very low | 31.1 | Very low | 109 Ų | 109 | 141.3 Ų | 141.3 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | -89.1 | 94.8 | 163.3 | 59.5 | 0 | 0 | 0 | 0 | 110.1 | T823 S827 | T823-S825 PolarHBondContact O-N 3.38Å; T823-S825 VanDerWaalsContact O-N 3.11Å; S825-S827 PolarHBondContact O-N 3.33Å | ||
| 826 | H | 29 | Very low | 30.7 | Very low | 166 Ų | 166 | 145.2 Ų | 145.2 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -87.7 | 97.7 | 163.7 | -83.1 | -58.7 | 0 | 0 | 0 | 110.2 | A828 | H826-A828 PolarHBondContact O-N 2.97Š| ||
| 827 | S | 25.6 | Very low | 30.3 | Very low | 120 Ų | 120 | 142.9 Ų | 142.9 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | trans | -80.6 | 102.7 | 158.5 | 54.3 | 0 | 0 | 0 | 0 | 108.6 | S825 | S825-S827 PolarHBondContact O-N 3.33Š| ||
| 828 | A | 28.6 | Very low | 30.1 | Very low | 98 Ų | 98 | 145.7 Ų | 145.7 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 124 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | H826 | H826-A828 PolarHBondContact O-N 2.97Š|
| 829 | D | 29.1 | Very low | 29.6 | Very low | 162 Ų | 162 | 144.1 Ų | 144.1 | 87% | 0.866 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 158.1 | 179.5 | -87.6 | -49.3 | 0 | 0 | 0 | 114.5 | ||
| 830 | Q | 27.1 | Very low | 29.2 | Very low | 179 Ų | 179 | 142.6 Ų | 142.6 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 131.8 | 175.3 | -59 | -167.7 | -3.1 | 0 | 0 | 113.5 | ||
| 831 | N | 28.9 | Very low | 28.9 | Very low | 128 Ų | 128 | 139.8 Ų | 139.8 | 68% | 0.684 | 79% | 0.79 | S | S | * | * | trans | -145.5 | 77.8 | 148.6 | -172.1 | 11.5 | 0 | 0 | 0 | 110.9 | N833 | N831-N833 VanDerWaalsContact C-N 3.35Å; N831-N833 PolarHBondContact O-N 2.86Å; N831-N833 PolarHBondContact OD1-ND2 3.18Å | ||
| 832 | P | 31.4 | Very low | 28.5 | Very low | 105 Ų | 105 | 142.1 Ų | 142.1 | 68% | 0.682 | 80% | 0.796 | S | S | * | * | trans | -95.1 | 67.1 | 166.8 | 36.2 | -28.2 | 0 | 0 | 0 | 109.4 | ||||
| 833 | N | 30.6 | Very low | 28.5 | Very low | 126 Ų | 126 | 144.6 Ų | 144.6 | 67% | 0.674 | 79% | 0.794 | S | S | * | * | trans | -94.2 | 78.8 | 160.8 | -80.2 | -54.3 | 0 | 0 | 0 | 108.7 | N831 | N831-N833 VanDerWaalsContact C-N 3.35Å; N831-N833 PolarHBondContact O-N 2.86Å; N831-N833 PolarHBondContact OD1-ND2 3.18Å | ||
| 834 | D | 30.7 | Very low | 28.2 | Very low | 168 Ų | 168 | 146.8 Ų | 146.8 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | trans | -148 | 83.5 | 155.2 | -97.2 | -31.7 | 0 | 0 | 0 | 108.9 | ||||
| 835 | I | 30.5 | Very low | 28.1 | Very low | 156 Ų | 156 | 144.3 Ų | 144.3 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | trans | -93.1 | 113.1 | 171.2 | -61.3 | 167.6 | 0 | 0 | 0 | 107 | ||||
| 836 | R | 26.4 | Very low | 28.3 | Very low | 240 Ų | 240 | 146.9 Ų | 146.9 | 91% | 0.906 | 80% | 0.803 | S | S | * | * | trans | -161.7 | 92.4 | 151.3 | -149.2 | 173.9 | -171.9 | -161.4 | 1.5 | 113.1 | ||||
| 837 | S | 24.4 | Very low | 28.4 | Very low | 110 Ų | 110 | 146.4 Ų | 146.4 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | -176.7 | 142.7 | 122.5 | -76.7 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 838 | P | 25.6 | Very low | 28.8 | Very low | 118 Ų | 118 | 148.9 Ų | 148.9 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | trans | -105.1 | 137.9 | -153 | 20.4 | -0.2 | 0 | 0 | 0 | 112.6 | ||||
| 839 | S | 24 | Very low | 28.9 | Very low | 131 Ų | 131 | 150.4 Ų | 150.4 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | trans | -109.7 | 125.1 | 163.2 | -58.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 840 | V | 27.9 | Very low | 29.3 | Very low | 129 Ų | 129 | 151.9 Ų | 151.9 | 78% | 0.782 | 81% | 0.81 | S | S | * | * | trans | -119.4 | 139.7 | 178.6 | 171.8 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 841 | S | 28.4 | Very low | 29.5 | Very low | 94 Ų | 94 | 150.2 Ų | 150.2 | 66% | 0.657 | 81% | 0.807 | S | S | * | * | cis | -162.2 | 139.2 | -15.2 | 44.3 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 842 | H | 26.6 | Very low | 29.4 | Very low | 197 Ų | 197 | 147 Ų | 147 | 91% | 0.912 | 80% | 0.804 | S | S | * | * | trans | -72.3 | 148.5 | 168.6 | -106.5 | 12.4 | 0 | 0 | 0 | 110.7 | ||||
| 843 | Y | 31.5 | Very low | 29.3 | Very low | 214 Ų | 214 | 149.3 Ų | 149.3 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | trans | -122.3 | 131.7 | 161.2 | -105.7 | -88.3 | 0 | 0 | 0 | 108.4 | ||||
| 844 | E | 28.9 | Very low | 29.3 | Very low | 168 Ų | 168 | 149.2 Ų | 149.2 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | -50.6 | 142.3 | 173.7 | -72.1 | 149.7 | 137 | 0 | 0 | 111.9 | ||||
| 845 | S | 27.3 | Very low | 29.1 | Very low | 113 Ų | 113 | 148 Ų | 148 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | 63.5 | 84.2 | 52.3 | -56.8 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 846 | D | 33 | Very low | 29 | Very low | 163 Ų | 163 | 145.4 Ų | 145.4 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | trans | -131.6 | 122.9 | 159.3 | -79.1 | -42.3 | 0 | 0 | 0 | 108.8 | ||||
| 847 | D | 30.1 | Very low | 28.7 | Very low | 155 Ų | 155 | 145.1 Ų | 145.1 | 83% | 0.829 | 80% | 0.797 | S | S | * | * | trans | -86.9 | 134 | 175.1 | -68.5 | -55.7 | 0 | 0 | 0 | 109.7 | ||||
| 848 | D | 34.5 | Very low | 28.9 | Very low | 173 Ų | 173 | 146.8 Ų | 146.8 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | trans | -143.7 | 132.3 | 157.1 | -90.6 | -41.7 | 0 | 0 | 0 | 111.4 | ||||
| 849 | V | 30.9 | Very low | 28.8 | Very low | 130 Ų | 130 | 147.5 Ų | 147.5 | 79% | 0.788 | 80% | 0.804 | S | S | * | * | trans | -99.7 | 126.5 | -170.3 | 172.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 850 | E | 37.4 | Very low | 28.8 | Very low | 193 Ų | 193 | 145 Ų | 145 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | trans | -133 | 121.1 | 161.6 | -163.2 | 169.7 | -168.9 | 0 | 0 | 111 | ||||
| 851 | N | 31.3 | Very low | 28.8 | Very low | 143 Ų | 143 | 144.5 Ų | 144.5 | 77% | 0.765 | 79% | 0.789 | S | S | * | * | trans | -58.1 | 139.6 | 171.5 | -65.2 | -26.4 | 0 | 0 | 0 | 110 | ||||
| 852 | G | 26 | Very low | 28.7 | Very low | 61 Ų | 61 | 145.3 Ų | 145.3 | 63% | 0.629 | 79% | 0.79 | S | S | * | * | 80.4 | 99.6 | 80.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 853 | D | 29.4 | Very low | 28.7 | Very low | 153 Ų | 153 | 142.7 Ų | 142.7 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | 156.1 | 142.8 | 121.5 | -82.2 | -16 | 0 | 0 | 0 | 115.6 | |||||
| 854 | N | 30.4 | Very low | 28.4 | Very low | 125 Ų | 125 | 141.2 Ų | 141.2 | 67% | 0.668 | 78% | 0.784 | S | S | * | * | trans | 98.3 | 94.9 | 145.7 | -63 | -29.2 | 0 | 0 | 0 | 122.4 | ||||
| 855 | I | 26.9 | Very low | 28.2 | Very low | 142 Ų | 142 | 139.6 Ų | 139.6 | 73% | 0.728 | 79% | 0.785 | S | S | * | * | 83.8 | 117 | 110.9 | -70.1 | 164.8 | 0 | 0 | 0 | 119.6 | |||||
| 856 | S | 27.3 | Very low | 28.2 | Very low | 101 Ų | 101 | 139.8 Ų | 139.8 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | 73.5 | 93.1 | 140.1 | -61.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 857 | R | 22 | Very low | 27.8 | Very low | 235 Ų | 235 | 141 Ų | 141 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | 10.3 | 111.9 | 115 | -167.2 | -175.8 | -67.3 | -155.2 | 0.4 | 117 | |||||
| 858 | T | 27.3 | Very low | 27.8 | Very low | 145 Ų | 145 | 139.6 Ų | 139.6 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | trans | -148.8 | 142 | 140.4 | 7.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 859 | V | 23.2 | Very low | 27.5 | Very low | 132 Ų | 132 | 138.1 Ų | 138.1 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | trans | -90.1 | 141.1 | -168.7 | 177.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 860 | A | 25.4 | Very low | 27.5 | Very low | 79 Ų | 79 | 139 Ų | 139 | 65% | 0.653 | 77% | 0.773 | S | S | * | * | trans | 171.2 | 122.8 | 135.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 861 | T | 26.7 | Very low | 26.9 | Very low | 118 Ų | 118 | 138.9 Ų | 138.9 | 72% | 0.724 | 77% | 0.77 | S | S | * | * | trans | 63.3 | 118.9 | 132.5 | 63.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 862 | T | 25.8 | Very low | 26.7 | Very low | 111 Ų | 111 | 143.2 Ų | 143.2 | 68% | 0.681 | 78% | 0.777 | S | S | * | * | trans | 64.2 | 109.7 | 133.2 | 61.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 863 | D | 26.5 | Very low | 26.9 | Very low | 143 Ų | 143 | 146.5 Ų | 146.5 | 77% | 0.765 | 78% | 0.784 | S | S | * | * | 171.9 | 143.3 | 100.5 | -91 | -29.2 | 0 | 0 | 0 | 114.1 | |||||
| 864 | E | 26.3 | Very low | 26.7 | Very low | 182 Ų | 182 | 146 Ų | 146 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | trans | 65.2 | 119.8 | 147.9 | -63.5 | -167.3 | 160.5 | 0 | 0 | 124.4 | ||||
| 865 | V | 25.5 | Very low | 26.5 | Very low | 135 Ų | 135 | 149.1 Ų | 149.1 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -30.9 | 148.4 | 166.5 | 177.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 866 | P | 26 | Very low | 26.5 | Very low | 116 Ų | 116 | 147 Ų | 147 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -91.8 | 138.8 | -177.7 | 23.9 | -6.6 | 0 | 0 | 0 | 113.7 | ||||
| 867 | Q | 25.4 | Very low | 26.3 | Very low | 190 Ų | 190 | 151.3 Ų | 151.3 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | -103.5 | 110.5 | 166.9 | -114.2 | -178.9 | 24.5 | 0 | 0 | 108.8 | ||||
| 868 | V | 29 | Very low | 26.3 | Very low | 124 Ų | 124 | 148.9 Ų | 148.9 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | trans | -133.4 | 110.1 | 161.7 | -177.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 869 | N | 29.3 | Very low | 26.2 | Very low | 143 Ų | 143 | 146.9 Ų | 146.9 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | trans | -71.4 | 112.8 | 174.1 | -89.4 | -27.4 | 0 | 0 | 0 | 110.2 | ||||
| 870 | D | 30.9 | Very low | 26.3 | Very low | 149 Ų | 149 | 147.5 Ų | 147.5 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -117 | 105.1 | 161 | -80 | -36 | 0 | 0 | 0 | 110.3 | ||||
| 871 | K | 25.3 | Very low | 26.2 | Very low | 190 Ų | 190 | 155 Ų | 155 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | trans | -77.4 | 114.8 | 171.3 | -69.5 | 175.2 | 176.4 | 176.5 | 0 | 108.4 | ||||
| 872 | Y | 26.9 | Very low | 25.9 | Very low | 234 Ų | 234 | 160.4 Ų | 160.4 | 92% | 0.918 | 81% | 0.81 | S | S | * | * | trans | -114.8 | 128 | 163 | -117 | -95.5 | 0 | 0 | 0 | 109.9 | ||||
| 873 | V | 28.8 | Very low | 26 | Very low | 130 Ų | 130 | 160.9 Ų | 160.9 | 79% | 0.788 | 82% | 0.817 | S | S | * | * | trans | -82.7 | 137.8 | -170.1 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 874 | D | 27 | Very low | 25.9 | Very low | 141 Ų | 141 | 159.8 Ų | 159.8 | 75% | 0.754 | 82% | 0.816 | S | S | * | * | trans | -78 | 121.6 | -179.2 | -156.1 | 4.6 | 0 | 0 | 0 | 110.6 | ||||
| 875 | E | 25.5 | Very low | 25.8 | Very low | 192 Ų | 192 | 162 Ų | 162 | 90% | 0.897 | 82% | 0.817 | S | S | * | * | trans | -129.9 | 88.3 | 167.9 | -86.8 | -137.9 | 175.4 | 0 | 0 | 110.1 | ||||
| 876 | S | 27.3 | Very low | 25.7 | Very low | 98 Ų | 98 | 162.8 Ų | 162.8 | 69% | 0.685 | 82% | 0.816 | S | S | * | * | trans | -123.7 | 99.4 | 161.9 | 70.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 877 | F | 23.6 | Very low | 25.6 | Very low | 190 Ų | 190 | 162.7 Ų | 162.7 | 83% | 0.833 | 82% | 0.818 | S | S | * | * | trans | -137.4 | 103.1 | 170.9 | -100.4 | -84.9 | 0 | 0 | 0 | 110 | ||||
| 878 | M | 21.8 | Very low | 25.8 | Very low | 185 Ų | 185 | 162.2 Ų | 162.2 | 91% | 0.911 | 82% | 0.816 | S | S | * | * | trans | -146.6 | 104.7 | 150.3 | -92.2 | -57.9 | 139.1 | 0 | 0 | 109.5 | ||||
| 879 | P | 24.4 | Very low | 25.6 | Very low | 103 Ų | 103 | 165.1 Ų | 165.1 | 67% | 0.669 | 83% | 0.826 | S | S | * | * | trans | -90.2 | 122.4 | -176.1 | 32.7 | -29 | 0 | 0 | 0 | 111.3 | ||||
| 880 | T | 25.5 | Very low | 25.4 | Very low | 145 Ų | 145 | 162.8 Ų | 162.8 | 89% | 0.89 | 82% | 0.821 | S | S | * | * | trans | -92.3 | 109.5 | 172.2 | -52.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 881 | R | 23 | Very low | 25.4 | Very low | 235 Ų | 235 | 164.8 Ų | 164.8 | 89% | 0.887 | 82% | 0.822 | S | S | * | * | trans | -71.8 | 126.6 | 175.8 | -80.4 | -178.6 | 170.1 | -161.8 | -1.1 | 112.2 | ||||
| 882 | R | 21.4 | Very low | 25.6 | Very low | 232 Ų | 232 | 163.8 Ų | 163.8 | 88% | 0.875 | 83% | 0.826 | S | S | * | * | 29.3 | 112.7 | 124.5 | -131.5 | -179.2 | -141.1 | -157.8 | 4.8 | 117.5 | |||||
| 883 | S | 26.6 | Very low | 25.5 | Very low | 121 Ų | 121 | 163.5 Ų | 163.5 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | trans | -143.6 | 111.4 | 146.2 | -172.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 884 | T | 25.2 | Very low | 25.4 | Very low | 120 Ų | 120 | 163.2 Ų | 163.2 | 74% | 0.736 | 82% | 0.822 | S | S | * | * | trans | -91.4 | 122.1 | 175.3 | 44.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 885 | R | 23.4 | Very low | 25.5 | Very low | 229 Ų | 229 | 162 Ų | 162 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | trans | -157.6 | 135.4 | 158.3 | -138.6 | -176 | 172.7 | 133 | -3.1 | 112.6 | ||||
| 886 | L | 24.5 | Very low | 25.6 | Very low | 152 Ų | 152 | 159.6 Ų | 159.6 | 80% | 0.796 | 82% | 0.82 | S | S | * | * | trans | 88 | 78.8 | 162.1 | -55.6 | 178.5 | 0 | 0 | 0 | 117.7 | ||||
| 887 | S | 23.8 | Very low | 25.3 | Very low | 114 Ų | 114 | 161.6 Ų | 161.6 | 80% | 0.797 | 82% | 0.823 | S | S | * | * | trans | -110.1 | 96.2 | 149.2 | 52.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 888 | E | 28 | Very low | 25.5 | Very low | 180 Ų | 180 | 159 Ų | 159 | 84% | 0.841 | 83% | 0.827 | S | S | * | * | trans | -151.5 | 92.1 | 163 | -77.3 | -165.1 | 175 | 0 | 0 | 109.5 | ||||
| 889 | L | 25 | Very low | 25.4 | Very low | 185 Ų | 185 | 154.7 Ų | 154.7 | 97% | 0.969 | 82% | 0.815 | S | S | * | * | trans | -169.3 | 93.7 | 133.9 | -126.1 | 72.4 | 0 | 0 | 0 | 107 | ||||
| 890 | S | 24.9 | Very low | 25.3 | Very low | 94 Ų | 94 | 157.2 Ų | 157.2 | 66% | 0.657 | 82% | 0.821 | S | S | * | * | trans | -134.1 | 151.1 | 172.6 | 77.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 891 | K | 30.6 | Very low | 25.3 | Very low | 191 Ų | 191 | 157 Ų | 157 | 83% | 0.83 | 81% | 0.814 | S | S | * | * | trans | 85.5 | 94.5 | 161 | -57.2 | 164.7 | -174.1 | -178.4 | 0 | 115.9 | ||||
| 892 | N | 29.5 | Very low | 25.4 | Very low | 168 Ų | 168 | 149.7 Ų | 149.7 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | trans | -123 | 116 | 131.4 | -91.3 | -28.2 | 0 | 0 | 0 | 109.5 | ||||
| 893 | R | 25.6 | Very low | 25.5 | Very low | 229 Ų | 229 | 146.5 Ų | 146.5 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | 73.3 | 88.5 | 141.9 | -133.4 | 169 | -166.7 | 177.2 | 2.2 | 120.3 | ||||
| 894 | T | 26.1 | Very low | 25.5 | Very low | 124 Ų | 124 | 144 Ų | 144 | 76% | 0.761 | 79% | 0.793 | S | S | * | * | 25.3 | 146.1 | 127.6 | 52.1 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 895 | P | 29.6 | Very low | 25.6 | Very low | 114 Ų | 114 | 144.7 Ų | 144.7 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | trans | -92.6 | 174 | -169.2 | 41 | -33.6 | 0 | 0 | 0 | 112.3 | ||||
| 896 | V | 26.9 | Very low | 25.5 | Very low | 142 Ų | 142 | 138.9 Ų | 138.9 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | trans | -176.3 | 133.8 | 141.2 | 147.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 897 | N | 23 | Very low | 25.7 | Very low | 141 Ų | 141 | 137.8 Ų | 137.8 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | trans | -51.6 | 145.2 | 171.3 | -74.4 | -43.4 | 0 | 0 | 0 | 114.3 | ||||
| 898 | C | 26.2 | Very low | 25.7 | Very low | 135 Ų | 135 | 137.1 Ų | 137.1 | 91% | 0.912 | 79% | 0.792 | S | S | * | * | trans | -142.8 | 101.3 | 145.6 | -83 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 899 | S | 21.2 | Very low | 25.5 | Very low | 94 Ų | 94 | 136 Ų | 136 | 66% | 0.657 | 79% | 0.791 | S | S | * | * | trans | -84 | 160.1 | 165 | -41.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 900 | I | 22.2 | Very low | 26.2 | Very low | 157 Ų | 157 | 132.5 Ų | 132.5 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | trans | 91.5 | 104.5 | 156.7 | -50.9 | 152.6 | 0 | 0 | 0 | 117.2 | ||||
| 901 | N | 25.6 | Very low | 26.2 | Very low | 140 Ų | 140 | 135.8 Ų | 135.8 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | 175.4 | 111 | 116.3 | -111.4 | -8 | 0 | 0 | 0 | 107.6 | |||||
| 902 | S | 23.6 | Very low | 26 | Very low | 82 Ų | 82 | 134.7 Ų | 134.7 | 57% | 0.573 | 79% | 0.787 | S | S | * | * | 68.8 | 119.8 | 73.5 | 88.7 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 903 | N | 24.6 | Very low | 25.8 | Very low | 165 Ų | 165 | 134.3 Ų | 134.3 | 88% | 0.882 | 78% | 0.78 | S | S | * | * | trans | 75.7 | 101.5 | 151.7 | -56.8 | -13.5 | 0 | 0 | 0 | 119.5 | ||||
| 904 | G | 27 | Very low | 26 | Very low | 69 Ų | 69 | 133.6 Ų | 133.6 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | -148.7 | 76.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 905 | T | 25.8 | Very low | 25.9 | Very low | 134 Ų | 134 | 136.4 Ų | 136.4 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | 56.9 | 112.2 | 138.4 | -20 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 906 | S | 22.3 | Very low | 25.8 | Very low | 107 Ų | 107 | 134.1 Ų | 134.1 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | trans | -36 | 131.6 | 152.7 | 51.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 907 | S | 28.6 | Very low | 25.7 | Very low | 128 Ų | 128 | 133 Ų | 133 | 90% | 0.895 | 78% | 0.779 | S | S | * | * | trans | -134.7 | 119.8 | 145.2 | 60.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 908 | S | 23.6 | Very low | 25.6 | Very low | 100 Ų | 100 | 131.5 Ų | 131.5 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | trans | -113.8 | 162.6 | -178.2 | 46.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 909 | L | 23.7 | Very low | 25.6 | Very low | 158 Ų | 158 | 134.8 Ų | 134.8 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | trans | 100.6 | 144.4 | 162.7 | -63.1 | 160.8 | 0 | 0 | 0 | 117 | ||||
| 910 | P | 39.6 | Very low | 25.6 | Very low | 110 Ų | 110 | 138.3 Ų | 138.3 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | -140.6 | 173.9 | -53.8 | 33.6 | -14.3 | 0 | 0 | 0 | 113.6 | |||||
| 911 | E | 24.2 | Very low | 25.8 | Very low | 163 Ų | 163 | 137.4 Ų | 137.4 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | -50 | 142.2 | 164.1 | -59.3 | 170.9 | 144.1 | 0 | 0 | 113.9 | ||||
| 912 | D | 28 | Very low | 25.7 | Very low | 168 Ų | 168 | 135 Ų | 135 | 90% | 0.898 | 78% | 0.779 | S | S | * | * | trans | -125.8 | 110.8 | 153.7 | -100 | -32.6 | 0 | 0 | 0 | 108.4 | ||||
| 913 | Q | 25.1 | Very low | 25.6 | Very low | 160 Ų | 160 | 137.3 Ų | 137.3 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | -79.2 | 141.6 | 167.5 | -66.7 | 173.4 | -7.9 | 0 | 0 | 109.3 | ||||
| 914 | K | 28.3 | Very low | 25.7 | Very low | 214 Ų | 214 | 139 Ų | 139 | 93% | 0.93 | 79% | 0.786 | S | S | * | * | trans | -156.4 | 117.5 | 149.5 | -112.4 | 168.1 | -168.8 | 178.9 | 0 | 112.2 | ||||
| 915 | H | 24.3 | Very low | 25.5 | Very low | 183 Ų | 183 | 143.8 Ų | 143.8 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | trans | -68.7 | 154.8 | 170.1 | -90.1 | -80.3 | 0 | 0 | 0 | 113.3 | ||||
| 916 | G | 27.2 | Very low | 25.6 | Very low | 67 Ų | 67 | 142.3 Ų | 142.3 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | trans | -179.8 | 83 | 155.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 917 | T | 25 | Very low | 25.8 | Very low | 119 Ų | 119 | 143.9 Ų | 143.9 | 73% | 0.73 | 79% | 0.785 | S | S | * | * | 54.5 | 96.8 | 92.5 | 60 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 918 | S | 21.5 | Very low | 25.6 | Very low | 108 Ų | 108 | 145.7 Ų | 145.7 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | 34.8 | 114.7 | 124.9 | 53.8 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 919 | E | 25.8 | Very low | 25.8 | Very low | 204 Ų | 204 | 150.6 Ų | 150.6 | 95% | 0.953 | 79% | 0.79 | S | S | * | * | trans | -129.6 | 123.9 | 139.6 | -84.8 | -170.6 | 169.3 | 0 | 0 | 109.9 | ||||
| 920 | E | 21.8 | Very low | 25.8 | Very low | 168 Ų | 168 | 147.7 Ų | 147.7 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -111.4 | 119.2 | 179.8 | 165.9 | -169 | -179.1 | 0 | 0 | 106.1 | V922 | E920-V922 HydrophobicContact CG-CG2 4.07Š| ||
| 921 | V | 26.3 | Very low | 25.1 | Very low | 138 Ų | 138 | 149.6 Ų | 149.6 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | trans | -155.2 | 97.9 | 159.1 | -174.4 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 922 | V | 23 | Very low | 25.2 | Very low | 90 Ų | 90 | 150.3 Ų | 150.3 | 55% | 0.545 | 79% | 0.789 | S | S | . | * | 75.2 | 102.7 | 68.4 | 177.9 | 0 | 0 | 0 | 0 | 113 | E920 | E920-V922 HydrophobicContact CG-CG2 4.07Š| |||
| 923 | I | 21.4 | Very low | 25 | Very low | 131 Ų | 131 | 148.3 Ų | 148.3 | 67% | 0.672 | 78% | 0.783 | S | S | * | * | trans | 61.3 | 119.3 | 134.3 | -52.7 | 172.7 | 0 | 0 | 0 | 118.5 | Q925 | I923-Q925 HydrophobicContact CG2-CG 4.47Š| ||
| 924 | E | 27.6 | Very low | 25 | Very low | 199 Ų | 199 | 150.7 Ų | 150.7 | 93% | 0.93 | 79% | 0.792 | S | S | * | * | -149.1 | 122.1 | 127 | -111.4 | 175.6 | -163 | 0 | 0 | 111.3 | |||||
| 925 | Q | 23 | Very low | 24.9 | Very low | 170 Ų | 170 | 145.8 Ų | 145.8 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | trans | -84.1 | 178.7 | 179.3 | -74.3 | 167.1 | -45.1 | 0 | 0 | 111.6 | I923 | I923-Q925 HydrophobicContact CG2-CG 4.47Š| ||
| 926 | S | 27 | Very low | 25.1 | Very low | 103 Ų | 103 | 144.5 Ų | 144.5 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | trans | 103.5 | 138 | 161.5 | 76.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 927 | D | 26.1 | Very low | 25.1 | Very low | 140 Ų | 140 | 150.9 Ų | 150.9 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | cis | -169.5 | 136.6 | -11.9 | -105.2 | -33.4 | 0 | 0 | 0 | 109.2 | ||||
| 928 | M | 24.4 | Very low | 25.2 | Very low | 167 Ų | 167 | 152.3 Ų | 152.3 | 82% | 0.823 | 79% | 0.791 | S | S | * | * | 47.3 | 115.1 | 129.3 | -58 | -75.6 | -109.2 | 0 | 0 | 122.5 | |||||
| 929 | K | 28.7 | Very low | 25.4 | Very low | 203 Ų | 203 | 154 Ų | 154 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | 169.9 | 111.6 | 118.1 | -121.1 | 145.3 | 175.4 | 170.9 | 0 | 110.4 | |||||
| 930 | C | 22.3 | Very low | 25.5 | Very low | 97 Ų | 97 | 150.6 Ų | 150.6 | 66% | 0.655 | 78% | 0.784 | S | S | * | * | 80.9 | 101.4 | 65.5 | -166.2 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 931 | N | 26.6 | Very low | 25.7 | Very low | 150 Ų | 150 | 150.6 Ų | 150.6 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | 162.3 | 148.5 | 112.5 | -90 | -42.7 | 0 | 0 | 0 | 116.2 | |||||
| 932 | Q | 25.8 | Very low | 25.8 | Very low | 177 Ų | 177 | 149.1 Ų | 149.1 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | trans | 92.9 | 73.5 | 159.8 | -88.7 | 174.8 | 7.4 | 0 | 0 | 121.2 | ||||
| 933 | T | 24.1 | Very low | 26.1 | Very low | 126 Ų | 126 | 152.4 Ų | 152.4 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | 34 | 103.8 | 118.4 | 57 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 934 | F | 24.7 | Very low | 26.5 | Very low | 211 Ų | 211 | 154.9 Ų | 154.9 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | trans | -125.6 | 129.6 | 141.9 | -125.4 | -91.5 | 0 | 0 | 0 | 107.4 | ||||
| 935 | S | 25.6 | Very low | 26.5 | Very low | 110 Ų | 110 | 153.5 Ų | 153.5 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | -71 | 122.9 | -161 | -49.9 | 0 | 0 | 0 | 0 | 114.2 | K937 | S935-K937 PolarHBondContact O-N 3.36Š| ||
| 936 | D | 28.2 | Very low | 26.8 | Very low | 157 Ų | 157 | 151 Ų | 151 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | trans | -71.4 | 113.6 | 164.8 | -73.7 | -45.3 | 0 | 0 | 0 | 110.5 | ||||
| 937 | K | 28.4 | Very low | 26.9 | Very low | 201 Ų | 201 | 153.2 Ų | 153.2 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | -112.7 | 82.3 | 155.9 | -77.1 | -175.5 | 177.7 | -179.8 | 0 | 107 | S935 | S935-K937 PolarHBondContact O-N 3.36Š| ||
| 938 | Q | 27.8 | Very low | 27 | Very low | 148 Ų | 148 | 156 Ų | 156 | 69% | 0.692 | 81% | 0.81 | S | S | * | * | trans | -137.2 | 123.4 | 170.1 | -78.9 | -65.3 | -1.8 | 0 | 0 | 110.3 | ||||
| 939 | L | 25.4 | Very low | 27.2 | Very low | 144 Ų | 144 | 156.6 Ų | 156.6 | 75% | 0.754 | 81% | 0.814 | S | S | * | * | trans | 59.2 | 73.9 | 144.4 | -71.4 | 146.4 | 0 | 0 | 0 | 118.1 | ||||
| 940 | T | 26.7 | Very low | 27.2 | Very low | 132 Ų | 132 | 151.3 Ų | 151.3 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | -105.7 | 80.5 | 153 | 55.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 941 | H | 25.9 | Very low | 27.5 | Very low | 169 Ų | 169 | 154.1 Ų | 154.1 | 78% | 0.782 | 81% | 0.811 | S | S | * | * | trans | -149.2 | 14.7 | 168.2 | -109.3 | -66.5 | 0 | 0 | 0 | 115.1 | ||||
| 942 | S | 28.6 | Very low | 27.8 | Very low | 106 Ų | 106 | 156.5 Ų | 156.5 | 74% | 0.741 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -104.6 | -7.1 | -179.6 | -64 | 0 | 0 | 0 | 0 | 115.7 | ||
| 943 | D | 30 | Very low | 27.9 | Very low | 159 Ų | 159 | 156 Ų | 156 | 85% | 0.85 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -111.3 | 11.9 | -174.2 | -68.1 | -23.4 | 0 | 0 | 0 | 115.3 | ||
| 944 | Q | 30 | Very low | 28.1 | Very low | 184 Ų | 184 | 157.1 Ų | 157.1 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -106.8 | 8.2 | 179.6 | -73.3 | -169.5 | 25.2 | 0 | 0 | 115.5 | ||
| 945 | L | 27.8 | Very low | 28.3 | Very low | 169 Ų | 169 | 151.8 Ų | 151.8 | 89% | 0.885 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -104.9 | -1.8 | -178.6 | -141.6 | 101.1 | 0 | 0 | 0 | 115.5 | ||
| 946 | C | 28.9 | Very low | 28.4 | Very low | 119 Ų | 119 | 153.8 Ų | 153.8 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -97.7 | -9 | -174.3 | -77 | 0 | 0 | 0 | 0 | 116.6 | ||
| 947 | D | 29.3 | Very low | 28.4 | Very low | 148 Ų | 148 | 154.8 Ų | 154.8 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -115.4 | 25.9 | -169.4 | -74.3 | -14.6 | 0 | 0 | 0 | 115.8 | ||
| 948 | K | 28.1 | Very low | 28.4 | Very low | 200 Ų | 200 | 150.4 Ų | 150.4 | 87% | 0.87 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -131.9 | 41.3 | 176.8 | -71.5 | -168.9 | 178.8 | 179.9 | 0 | 115.1 | ||
| 949 | I | 29.1 | Very low | 28.6 | Very low | 178 Ų | 178 | 149.8 Ų | 149.8 | 91% | 0.913 | 80% | 0.798 | S | S | * | * | trans | -145.2 | 68.2 | 158.4 | -47.5 | 176.7 | 0 | 0 | 0 | 108.9 | ||||
| 950 | S | 27.9 | Very low | 29 | Very low | 93 Ų | 93 | 148.1 Ų | 148.1 | 65% | 0.65 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -142.1 | 123.6 | 161.5 | 55.3 | 0 | 0 | 0 | 0 | 106.1 | ||
| 951 | N | 29 | Very low | 29.3 | Very low | 155 Ų | 155 | 148.4 Ų | 148.4 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | trans | 94.9 | 84.2 | -177.6 | -47.7 | -22.7 | 0 | 0 | 0 | 114.5 | ||||
| 952 | E | 32.5 | Very low | 29.8 | Very low | 201 Ų | 201 | 145 Ų | 145 | 94% | 0.939 | 78% | 0.775 | S | S | * | * | trans | -162.7 | 92.8 | 132.6 | -107.9 | 176.1 | -158 | 0 | 0 | 108.6 | ||||
| 953 | D | 27.9 | Very low | 30.1 | Very low | 167 Ų | 167 | 145.1 Ų | 145.1 | 89% | 0.893 | 76% | 0.764 | S | S | * | * | trans | -71.2 | 110.3 | 159.5 | -67.3 | -50.1 | 0 | 0 | 0 | 108.2 | ||||
| 954 | N | 28.1 | Very low | 30.4 | Very low | 149 Ų | 149 | 144.1 Ų | 144.1 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | trans | -174.2 | 133.8 | 142.7 | -138 | 2 | 0 | 0 | 0 | 114.2 | ||||
| 955 | C | 28.6 | Very low | 30.7 | Very low | 98 Ų | 98 | 141 Ų | 141 | 66% | 0.662 | 74% | 0.743 | S | S | * | * | trans | 52.1 | 96 | 152.5 | -63.5 | 0 | 0 | 0 | 0 | 120.5 | E957 | C955-E957 PolarHBondContact O-N 2.91Š| ||
| 956 | D | 28 | Very low | 31 | Very low | 152 Ų | 152 | 138.7 Ų | 138.7 | 81% | 0.813 | 73% | 0.731 | S | S | * | * | 16.9 | 83.9 | 123.9 | -61.3 | -38.1 | 0 | 0 | 0 | 118.2 | |||||
| 957 | E | 29.1 | Very low | 31.3 | Very low | 179 Ų | 179 | 139.9 Ų | 139.9 | 84% | 0.836 | 73% | 0.728 | S | S | * | * | trans | -159 | 9.1 | 146.3 | -115.6 | -170.6 | -151.3 | 0 | 0 | 116.3 | C955 | C955-E957 PolarHBondContact O-N 2.91Š| ||
| 958 | N | 28.3 | Very low | 31.6 | Very low | 109 Ų | 109 | 137.5 Ų | 137.5 | 58% | 0.583 | 72% | 0.719 | S | S | * | * | trans | -111.4 | 24.2 | -175.3 | -79.7 | -48.7 | 0 | 0 | 0 | 115.7 | T960 | N958-T960 VanDerWaalsContact C-N 3.31Å; N958-T960 PolarHBondContact O-N 3.18Å | ||
| 959 | I | 31.7 | Very low | 31.7 | Very low | 134 Ų | 134 | 136.5 Ų | 136.5 | 69% | 0.687 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -74.3 | -17.6 | 179.6 | -75.7 | 174.5 | 0 | 0 | 0 | 113.3 | ||
| 960 | T | 32.7 | Very low | 32 | Very low | 110 Ų | 110 | 132.3 Ų | 132.3 | 68% | 0.675 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -85.6 | -20.7 | 177.3 | 50.9 | 0 | 0 | 0 | 0 | 114.4 | N958 | N958-T960 VanDerWaalsContact C-N 3.31Å; N958-T960 PolarHBondContact O-N 3.18Å |
| 961 | K | 34.3 | Very low | 32.4 | Very low | 138 Ų | 138 | 131.2 Ų | 131.2 | 60% | 0.6 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -87.5 | -19.8 | -178.1 | -75.2 | -179.4 | 178.9 | 171.1 | 0 | 114.6 | N965 | K961-N965 PolarHBondContact O-ND2 3.28Å |
| 962 | V | 36.4 | Very low | 32.9 | Very low | 98 Ų | 98 | 128.2 Ų | 128.2 | 59% | 0.594 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -84.1 | -26.9 | -180 | -177.3 | 0 | 0 | 0 | 0 | 111.9 | ||
| 963 | E | 35.1 | Very low | 33.5 | Very low | 108 Ų | 108 | 126.1 Ų | 126.1 | 51% | 0.505 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -72.9 | -31.7 | 177 | -69.1 | -163.3 | 157.4 | 0 | 0 | 113 | N965 L966 | E963-N965 VanDerWaalsContact C-N 3.33Å; E963-N965 PolarHBondContact O-N 3.42Å; E963-L966 PolarHBondContact O-N 2.93Å |
| 964 | E | 35.4 | Very low | 34.1 | Very low | 137 Ų | 137 | 123.2 Ų | 123.2 | 64% | 0.64 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -66.4 | -32.1 | 177.5 | -81.5 | -171.4 | 151.2 | 0 | 0 | 113.2 | L966 I967 T968 | E964-L966 PolarHBondContact O-N 3.21Å; E964-L966 VanDerWaalsContact O-N 3.15Å; E964-I967 PolarHBondContact O-N 3.23Å; E964-I967 VanDerWaalsContact O-N 3.13Å; E964-T968 PolarHBondContact O-OG1 2.86Å |
| 965 | N | 35.7 | Very low | 34.5 | Very low | 120 Ų | 120 | 120.9 Ų | 120.9 | 64% | 0.642 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -4.7 | -179.1 | -70.1 | -29.4 | 0 | 0 | 0 | 114.2 | K961 E963 | K961-N965 PolarHBondContact O-ND2 3.28Å; E963-N965 VanDerWaalsContact C-N 3.33Å; E963-N965 PolarHBondContact O-N 3.42Å |
| 966 | L | 35.7 | Very low | 35 | Very low | 119 Ų | 119 | 121.1 Ų | 121.1 | 62% | 0.623 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | -5.4 | 172.8 | -66.2 | 174.9 | 0 | 0 | 0 | 113.2 | E963 E964 | E963-L966 PolarHBondContact O-N 2.93Å; E964-L966 PolarHBondContact O-N 3.21Å; E964-L966 VanDerWaalsContact O-N 3.15Å |
| 967 | I | 34.7 | Very low | 35.4 | Very low | 144 Ų | 144 | 118.5 Ų | 118.5 | 74% | 0.738 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | -10.4 | 174.5 | -58.9 | 171.6 | 0 | 0 | 0 | 110.8 | E964 E969 | E964-I967 PolarHBondContact O-N 3.23Å; E964-I967 VanDerWaalsContact O-N 3.13Å; I967-E969 PolarHBondContact O-N 2.99Å; I967-E969 VanDerWaalsContact O-N 3.13Å |
| 968 | T | 34.5 | Very low | 36 | Very low | 99 Ų | 99 | 116.8 Ų | 116.8 | 61% | 0.607 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -71.6 | 107.4 | 174.9 | -34.9 | 0 | 0 | 0 | 0 | 109.9 | E964 | E964-T968 PolarHBondContact O-OG1 2.86Š|
| 969 | E | 31.5 | Very low | 36.9 | Very low | 178 Ų | 178 | 112.8 Ų | 112.8 | 83% | 0.832 | 60% | 0.603 | S | S | * | * | trans | -51.7 | 127 | 168.8 | -83.2 | -176.1 | 150.7 | 0 | 0 | 109.3 | I967 S971 | I967-E969 PolarHBondContact O-N 2.99Å; I967-E969 VanDerWaalsContact O-N 3.13Å; E969-S971 PolarHBondContact O-N 2.74Å | ||
| 970 | P | 34.1 | Very low | 37.9 | Very low | 90 Ų | 90 | 115.6 Ų | 115.6 | 58% | 0.584 | 61% | 0.611 | S | S | * | * | trans | -62.6 | 140.8 | 175.4 | 27.4 | -33.3 | 0 | 0 | 0 | 109.3 | S972 F975 | P970-S972 PolarHBondContact O-N 3.15Å; P970-F975 HydrophobicContact CB-CE2 4.44Å; P970-F975 HydrophobicContact CG-CD2 4.44Å; P970-F975 HydrophobicContact CG-CE2 3.79Å | ||
| 971 | S | 37 | Very low | 39.5 | Very low | 70 Ų | 70 | 113.4 Ų | 113.4 | 49% | 0.49 | 60% | 0.595 | S | S | . | * | trans | -45.4 | 124.5 | -177.2 | 53.5 | 0 | 0 | 0 | 0 | 111.9 | E969 E973 L974 | E969-S971 PolarHBondContact O-N 2.74Å; S971-E973 PolarHBondContact O-N 2.63Å; S971-L974 PolarHBondContact O-N 3.43Å | ||
| 972 | S | 40.1 | Very low | 41.4 | Very low | 93 Ų | 93 | 108.1 Ų | 108.1 | 65% | 0.65 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -54.9 | -21.8 | -179.8 | 57.2 | 0 | 0 | 0 | 0 | 114 | P970 L974 F975 T976 | P970-S972 PolarHBondContact O-N 3.15Å; S972-L974 VanDerWaalsContact C-N 3.34Å; S972-L974 PolarHBondContact O-N 3.29Å; S972-F975 PolarHBondContact O-N 2.66Å; S972-T976 PolarHBondContact O-N 3.31Å; S972-T976 VanDerWaalsContact O-N 3.1Å; S972-T976 PolarHBondContact O-OG1 2.92Å |
| 973 | E | 44.5 | Very low | 43.3 | Very low | 156 Ų | 156 | 110.1 Ų | 110.1 | 73% | 0.729 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -60.7 | -37.6 | 174.9 | -77.2 | -175.7 | 156.1 | 0 | 0 | 113.1 | S971 F975 T976 | S971-E973 PolarHBondContact O-N 2.63Å; E973-F975 VanDerWaalsContact C-N 3.27Å; E973-F975 PolarHBondContact O-N 3.47Å; E973-T976 WeakPolarHBondContact CA-OG1 3.45Å; E973-T976 PolarHBondContact O-N 3.2Å; E973-T976 PolarHBondContact O-OG1 3.17Å |
| 974 | L | 39.9 | Very low | 45.4 | Very low | 107 Ų | 107 | 109.1 Ų | 109.1 | 56% | 0.56 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -70.7 | -26.7 | 179 | -122.1 | 95 | 0 | 0 | 0 | 112.2 | S971 S972 | S971-L974 PolarHBondContact O-N 3.43Å; S972-L974 VanDerWaalsContact C-N 3.34Å; S972-L974 PolarHBondContact O-N 3.29Å |
| 975 | F | 37.5 | Very low | 47.5 | Very low | 100 Ų | 100 | 103 Ų | 103 | 44% | 0.439 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -92.9 | -10.6 | -179.9 | -82 | -79.2 | 0 | 0 | 0 | 114 | P970 S972 E973 L977 L988 L992 | P970-F975 HydrophobicContact CB-CE2 4.44Å; P970-F975 HydrophobicContact CG-CD2 4.44Å; P970-F975 HydrophobicContact CG-CE2 3.79Å; S972-F975 PolarHBondContact O-N 2.66Å; E973-F975 VanDerWaalsContact C-N 3.27Å; E973-F975 PolarHBondContact O-N 3.47Å; F975-L977 PolarHBondContact O-N 3.47Å; F975-L988 HydrophobicContact CE1-CD1 4.46Å; F975-L992 HydrophobicContact CZ-CD2 4.42Å |
| 976 | T | 38.2 | Very low | 49.6 | Very low | 103 Ų | 103 | 100 Ų | 100 | 63% | 0.632 | 53% | 0.529 | S | S | * | . | trans | -82.6 | 8 | 177.5 | 15.1 | 0 | 0 | 0 | 0 | 114 | S972 E973 I978 | S972-T976 PolarHBondContact O-N 3.31Å; S972-T976 VanDerWaalsContact O-N 3.1Å; S972-T976 PolarHBondContact O-OG1 2.92Å; E973-T976 WeakPolarHBondContact CA-OG1 3.45Å; E973-T976 PolarHBondContact O-N 3.2Å; E973-T976 PolarHBondContact O-OG1 3.17Å; T976-I978 VanDerWaalsContact C-N 3.28Å; T976-I978 PolarHBondContact O-N 2.78Å | ||
| 977 | L | 36.7 | Very low | 51.9 | Low | 97 Ų | 97 | 99.9 Ų | 99.9 | 51% | 0.508 | 53% | 0.525 | S | S | . | . | trans | -71.3 | 83.8 | 166.9 | -82.8 | 142.2 | 0 | 0 | 0 | 109.9 | F975 A979 E984 | F975-L977 PolarHBondContact O-N 3.47Å; L977-A979 PolarHBondContact O-N 2.97Å; L977-E984 VanDerWaalsContact CD2-OE2 3.31Å; L977-E984 WeakPolarHBondContact CD2-OE2 3.22Å | ||
| 978 | I | 42 | Very low | 54.3 | Low | 142 Ų | 142 | 94.8 Ų | 94.8 | 73% | 0.728 | 50% | 0.5 | S | S | * | . | trans | -54.5 | 109.3 | 161.9 | -66.4 | 169.5 | 0 | 0 | 0 | 106.4 | T976 K980 | T976-I978 VanDerWaalsContact C-N 3.28Å; T976-I978 PolarHBondContact O-N 2.78Å; I978-K980 PolarHBondContact O-N 2.9Å | ||
| 979 | A | 46.5 | Very low | 56.8 | Low | 25 Ų | 25 | 90.8 Ų | 90.8 | 21% | 0.207 | 47% | 0.474 | C | S | . | . | trans | -57.1 | 68.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114 | L977 D981 L985 L1077 | L977-A979 PolarHBondContact O-N 2.97Å; A979-D981 VanDerWaalsContact C-N 3.28Å; A979-L985 HydrophobicContact CB-CB 4.01Å; A979-L985 HydrophobicContact CB-CD1 4.17Å; A979-L985 HydrophobicContact CB-CD2 4.04Å; A979-L985 HydrophobicContact CB-CG 4.3Å; A979-L1077 HydrophobicContact CB-CD2 4.11Å | ||
| 980 | K | 53.9 | Low | 59.6 | Low | 194 Ų | 194 | 86.1 Ų | 86.1 | 84% | 0.843 | 45% | 0.454 | S | S | * | . | trans | -71.8 | -29.2 | 169 | -81.6 | -175.1 | 176.3 | 177.6 | 0 | 110.6 | I978 | I978-K980 PolarHBondContact O-N 2.9Š| ||
| 981 | D | 66.2 | Low | 62.3 | Low | 63 Ų | 63 | 85.5 Ų | 85.5 | 34% | 0.337 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -107.3 | 126.6 | 175.9 | -161.7 | -18.4 | 0 | 0 | 0 | 111.2 | A979 Q983 E984 L985 | A979-D981 VanDerWaalsContact C-N 3.28Å; D981-Q983 PolarHBondContact O-N 3.32Å; D981-Q983 PolarHBondContact OD1-N 3.06Å; D981-E984 HydrophobicContact CB-CB 4.43Å; D981-E984 HydrophobicContact CB-CG 4.08Å; D981-E984 PolarHBondContact O-N 3.27Å; D981-L985 PolarHBondContact O-N 3.45Å |
| 982 | S | 74.2 | Confident | 64.8 | Low | 28 Ų | 28 | 82.6 Ų | 82.6 | 20% | 0.196 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -57.5 | -28.4 | 171.3 | 64.9 | 0 | 0 | 0 | 0 | 112.8 | N986 Y1078 | S982-N986 WeakPolarHBondContact O-CB 3.48Å; S982-N986 PolarHBondContact O-N 3.47Å; S982-N986 VanDerWaalsContact O-N 3.17Å; S982-Y1078 WeakPolarHBondContact O-CE2 3.29Å |
| 983 | Q | 76.8 | Confident | 67.2 | Low | 139 Ų | 139 | 84.4 Ų | 84.4 | 65% | 0.65 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -71.8 | -44.9 | -179 | -64.1 | -173.1 | -15.4 | 0 | 0 | 112.2 | D981 L985 N986 Q987 | D981-Q983 PolarHBondContact O-N 3.32Å; D981-Q983 PolarHBondContact OD1-N 3.06Å; Q983-L985 VanDerWaalsContact C-N 3.34Å; Q983-L985 PolarHBondContact O-N 3.48Å; Q983-N986 WeakPolarHBondContact O-CB 3.47Å; Q983-N986 PolarHBondContact O-N 3.34Å; Q983-Q987 WeakPolarHBondContact O-CG 3.49Å; Q983-Q987 PolarHBondContact O-N 2.82Å |
| 984 | E | 79.1 | Confident | 69.3 | Low | 88 Ų | 88 | 83 Ų | 83 | 41% | 0.411 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.7 | -41 | 177.9 | -66.6 | 175.9 | 165.6 | 0 | 0 | 111.4 | L977 D981 N986 Q987 L988 | L977-E984 VanDerWaalsContact CD2-OE2 3.31Å; L977-E984 WeakPolarHBondContact CD2-OE2 3.22Å; D981-E984 HydrophobicContact CB-CB 4.43Å; D981-E984 HydrophobicContact CB-CG 4.08Å; D981-E984 PolarHBondContact O-N 3.27Å; E984-N986 VanDerWaalsContact C-N 3.29Å; E984-N986 PolarHBondContact O-N 2.72Å; E984-Q987 PolarHBondContact O-N 2.86Å; E984-L988 PolarHBondContact O-N 2.7Å |
| 985 | L | 78.5 | Confident | 71.7 | Confident | 7 Ų | 7 | 81.4 Ų | 81.4 | 4% | 0.037 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.8 | -36.4 | 175.3 | -176.8 | 60.2 | 0 | 0 | 0 | 112.1 | A979 D981 Q983 L989 L1074 L1077 Y1078 | A979-L985 HydrophobicContact CB-CB 4.01Å; A979-L985 HydrophobicContact CB-CD1 4.17Å; A979-L985 HydrophobicContact CB-CD2 4.04Å; A979-L985 HydrophobicContact CB-CG 4.3Å; D981-L985 PolarHBondContact O-N 3.45Å; Q983-L985 VanDerWaalsContact C-N 3.34Å; Q983-L985 PolarHBondContact O-N 3.48Å; L985-L989 WeakPolarHBondContact O-CB 3.36Å; L985-L989 PolarHBondContact O-N 3.1Å; L985-L1074 HydrophobicContact CD1-CD2 3.99Å; L985-L1077 HydrophobicContact CD1-CD2 4.11Å; L985-L1077 HydrophobicContact CD2-CB 4.48Å; L985-L1077 HydrophobicContact CD2-CD2 3.83Å; L985-L1077 HydrophobicContact CD2-CG 4.38Å; L985-Y1078 HydrophobicContact CD2-CD2 4.05Å; L985-Y1078 HydrophobicContact CD2-CG 4.43Å; L985-Y1078 HydrophobicContact CG-CD2 4.25Å |
| 986 | N | 80.5 | Confident | 74 | Confident | 59 Ų | 59 | 78 Ų | 78 | 32% | 0.316 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -68.4 | -43.5 | 175.9 | -164.2 | -39.6 | 0 | 0 | 0 | 111.5 | S982 Q983 E984 L988 L989 I990 Y1078 | S982-N986 WeakPolarHBondContact O-CB 3.48Å; S982-N986 PolarHBondContact O-N 3.47Å; S982-N986 VanDerWaalsContact O-N 3.17Å; Q983-N986 WeakPolarHBondContact O-CB 3.47Å; Q983-N986 PolarHBondContact O-N 3.34Å; E984-N986 VanDerWaalsContact C-N 3.29Å; E984-N986 PolarHBondContact O-N 2.72Å; N986-L988 PolarHBondContact O-N 2.97Å; N986-L989 WeakPolarHBondContact O-CB 3.4Å; N986-L989 PolarHBondContact O-N 3.11Å; N986-L989 VanDerWaalsContact O-N 3.13Å; N986-I990 WeakPolarHBondContact O-CG1 3.15Å; N986-I990 PolarHBondContact O-N 3.29Å; N986-Y1078 HydrophobicContact CB-CE2 4.05Å; N986-Y1078 PolarHBondContact ND2-OH 3Å |
| 987 | Q | 84.4 | Confident | 76.4 | Confident | 116 Ų | 116 | 76.5 Ų | 76.5 | 54% | 0.542 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.2 | -45 | 174.5 | -69.1 | -64.5 | -20.4 | 0 | 0 | 112 | Q983 E984 L989 I990 I991 | Q983-Q987 WeakPolarHBondContact O-CG 3.49Å; Q983-Q987 PolarHBondContact O-N 2.82Å; E984-Q987 PolarHBondContact O-N 2.86Å; Q987-L989 VanDerWaalsContact C-N 3.29Å; Q987-L989 PolarHBondContact O-N 3.49Å; Q987-I990 PolarHBondContact O-N 3.47Å; Q987-I991 WeakPolarHBondContact O-CG1 3.44Å; Q987-I991 PolarHBondContact O-N 3.44Å; Q987-I991 VanDerWaalsContact O-N 3.08Å |
| 988 | L | 83.9 | Confident | 78.9 | Confident | 37 Ų | 37 | 75.5 Ų | 75.5 | 19% | 0.194 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -58.9 | -41.6 | 174.6 | -178.8 | 64.5 | 0 | 0 | 0 | 111.7 | F975 E984 N986 I990 I991 L992 L1074 | F975-L988 HydrophobicContact CE1-CD1 4.46Å; E984-L988 PolarHBondContact O-N 2.7Å; N986-L988 PolarHBondContact O-N 2.97Å; L988-I990 VanDerWaalsContact C-N 3.35Å; L988-I990 PolarHBondContact O-N 3.39Å; L988-I991 PolarHBondContact O-N 3.47Å; L988-L992 HydrophobicContact CD1-CD1 4.29Å; L988-L992 HydrophobicContact CD1-CG 4.35Å; L988-L992 HydrophobicContact CG-CD1 4.03Å; L988-L992 HydrophobicContact CG-CG 4.48Å; L988-L992 WeakPolarHBondContact O-CG 3.35Å; L988-L992 PolarHBondContact O-N 3.48Å; L988-L1074 HydrophobicContact CD2-CD1 4.2Å |
| 989 | L | 86.7 | Confident | 80.8 | Confident | 15 Ų | 15 | 70.5 Ų | 70.5 | 8% | 0.079 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.7 | -38.1 | 178.6 | -164 | 71.6 | 0 | 0 | 0 | 112.3 | L985 N986 Q987 R993 I1071 L1074 E1075 | L985-L989 WeakPolarHBondContact O-CB 3.36Å; L985-L989 PolarHBondContact O-N 3.1Å; N986-L989 WeakPolarHBondContact O-CB 3.4Å; N986-L989 PolarHBondContact O-N 3.11Å; N986-L989 VanDerWaalsContact O-N 3.13Å; Q987-L989 VanDerWaalsContact C-N 3.29Å; Q987-L989 PolarHBondContact O-N 3.49Å; L989-R993 WeakPolarHBondContact O-CB 3.4Å; L989-R993 VanDerWaalsContact O-CG 3.26Å; L989-R993 WeakPolarHBondContact O-CG 3.36Å; L989-R993 PolarHBondContact O-N 3.13Å; L989-I1071 HydrophobicContact CD1-CG2 3.99Å; L989-L1074 HydrophobicContact CD1-CB 4.06Å; L989-E1075 HydrophobicContact CD1-CG 3.88Å; L989-E1075 HydrophobicContact CD2-CG 3.8Å; L989-E1075 HydrophobicContact CG-CG 4.46Å |
| 990 | I | 90.3 | Very high | 82.7 | Confident | 80 Ų | 80 | 72.3 Ų | 72.3 | 41% | 0.41 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.7 | -48.2 | 175.2 | -67.3 | 165.4 | 0 | 0 | 0 | 110.4 | N986 Q987 L988 L992 R993 Q994 | N986-I990 WeakPolarHBondContact O-CG1 3.15Å; N986-I990 PolarHBondContact O-N 3.29Å; Q987-I990 PolarHBondContact O-N 3.47Å; L988-I990 VanDerWaalsContact C-N 3.35Å; L988-I990 PolarHBondContact O-N 3.39Å; I990-L992 PolarHBondContact O-N 3.17Å; I990-R993 PolarHBondContact O-N 3.23Å; I990-Q994 PolarHBondContact O-N 3.43Å |
| 991 | I | 91.1 | Very high | 84 | Confident | 76 Ų | 76 | 67.6 Ų | 67.6 | 39% | 0.39 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61 | -47.3 | 179.8 | -66 | 166.7 | 0 | 0 | 0 | 110.7 | Q987 L988 R993 Q994 I995 | Q987-I991 WeakPolarHBondContact O-CG1 3.44Å; Q987-I991 PolarHBondContact O-N 3.44Å; Q987-I991 VanDerWaalsContact O-N 3.08Å; L988-I991 PolarHBondContact O-N 3.47Å; I991-R993 VanDerWaalsContact C-N 3.31Å; I991-R993 PolarHBondContact O-N 2.93Å; I991-Q994 WeakPolarHBondContact O-CB 3.48Å; I991-Q994 PolarHBondContact O-N 3.3Å; I991-I995 HydrophobicContact CG2-CD1 3.99Å; I991-I995 WeakPolarHBondContact O-CG1 3.34Å; I991-I995 PolarHBondContact O-N 3.11Å |
| 992 | L | 89.3 | Confident | 84.7 | Confident | 9 Ų | 9 | 69.1 Ų | 69.1 | 5% | 0.047 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.7 | -36.3 | 179.6 | -69.8 | 173.1 | 0 | 0 | 0 | 112.4 | F975 L988 I990 I995 L996 L1067 L1070 I1071 L1074 | F975-L992 HydrophobicContact CZ-CD2 4.42Å; L988-L992 HydrophobicContact CD1-CD1 4.29Å; L988-L992 HydrophobicContact CD1-CG 4.35Å; L988-L992 HydrophobicContact CG-CD1 4.03Å; L988-L992 HydrophobicContact CG-CG 4.48Å; L988-L992 WeakPolarHBondContact O-CG 3.35Å; L988-L992 PolarHBondContact O-N 3.48Å; I990-L992 PolarHBondContact O-N 3.17Å; L992-I995 PolarHBondContact O-N 2.94Å; L992-L996 WeakPolarHBondContact O-CB 3.36Å; L992-L996 PolarHBondContact O-N 3.11Å; L992-L1067 HydrophobicContact CD2-CD1 3.95Å; L992-L1070 HydrophobicContact CD1-CD2 4.41Å; L992-I1071 HydrophobicContact CB-CD1 4.11Å; L992-I1071 HydrophobicContact CB-CG1 3.93Å; L992-L1074 HydrophobicContact CD1-CD1 3.34Å |
| 993 | R | 90.6 | Very high | 84.7 | Confident | 131 Ų | 131 | 69.1 Ų | 69.1 | 49% | 0.494 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.4 | -39.8 | 173.8 | -76.6 | 174.1 | 176.9 | -172.3 | 0.4 | 112.2 | L989 I990 I991 L996 S997 E1075 | L989-R993 WeakPolarHBondContact O-CB 3.4Å; L989-R993 VanDerWaalsContact O-CG 3.26Å; L989-R993 WeakPolarHBondContact O-CG 3.36Å; L989-R993 PolarHBondContact O-N 3.13Å; I990-R993 PolarHBondContact O-N 3.23Å; I991-R993 VanDerWaalsContact C-N 3.31Å; I991-R993 PolarHBondContact O-N 2.93Å; R993-L996 PolarHBondContact O-N 3.48Å; R993-S997 PolarHBondContact O-N 3.25Å; R993-E1075 IonicContact CZ-OE1 3.27Å; R993-E1075 IonicContact NE-OE1 2.72Å; R993-E1075 IonicContact NH2-OE1 3.42Å; R993-E1075 PolarHBondContact NH2-OE1 2.96Å |
| 994 | Q | 90 | Very high | 84.7 | Confident | 127 Ų | 127 | 67.1 Ų | 67.1 | 59% | 0.593 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63.3 | -43.5 | 175.8 | -170.9 | 176.8 | 2.3 | 0 | 0 | 111.4 | I990 I991 L996 S997 I998 | I990-Q994 PolarHBondContact O-N 3.43Å; I991-Q994 WeakPolarHBondContact O-CB 3.48Å; I991-Q994 PolarHBondContact O-N 3.3Å; Q994-L996 VanDerWaalsContact C-N 3.34Å; Q994-L996 PolarHBondContact O-N 3.47Å; Q994-S997 WeakPolarHBondContact O-CB 3.35Å; Q994-S997 PolarHBondContact O-N 3.01Å; Q994-I998 HydrophobicContact CG-CD1 4.34Å; Q994-I998 WeakPolarHBondContact O-CG1 3.27Å; Q994-I998 PolarHBondContact O-N 3.34Å; Q994-I998 VanDerWaalsContact O-N 3.13Å |
| 995 | I | 88.9 | Confident | 84.4 | Confident | 73 Ų | 73 | 69.3 Ų | 69.3 | 37% | 0.374 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 176.1 | -66.2 | 167.9 | 0 | 0 | 0 | 111.2 | I991 L992 I998 N999 L1067 | I991-I995 HydrophobicContact CG2-CD1 3.99Å; I991-I995 WeakPolarHBondContact O-CG1 3.34Å; I991-I995 PolarHBondContact O-N 3.11Å; L992-I995 PolarHBondContact O-N 2.94Å; I995-I998 PolarHBondContact O-N 3.39Å; I995-N999 PolarHBondContact O-N 2.95Å; I995-N999 VanDerWaalsContact O-N 3.11Å; I995-N999 PolarHBondContact O-ND2 2.65Å; I995-L1067 HydrophobicContact CG2-CD2 4.04Å |
| 996 | L | 86.7 | Confident | 83.7 | Confident | 29 Ų | 29 | 73.7 Ų | 73.7 | 15% | 0.152 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61 | -46.9 | 175.9 | -175.7 | 156.8 | 0 | 0 | 0 | 111.2 | L992 R993 Q994 I998 N999 E1000 L1067 K1068 I1071 | L992-L996 WeakPolarHBondContact O-CB 3.36Å; L992-L996 PolarHBondContact O-N 3.11Å; R993-L996 PolarHBondContact O-N 3.48Å; Q994-L996 VanDerWaalsContact C-N 3.34Å; Q994-L996 PolarHBondContact O-N 3.47Å; L996-I998 VanDerWaalsContact C-N 3.33Å; L996-I998 PolarHBondContact O-N 3Å; L996-N999 PolarHBondContact O-N 2.77Å; L996-N999 VanDerWaalsContact O-N 3.17Å; L996-E1000 HydrophobicContact CD2-CG 3.9Å; L996-E1000 WeakPolarHBondContact CD2-OE2 3.46Å; L996-E1000 WeakPolarHBondContact O-CG 3.35Å; L996-E1000 PolarHBondContact O-N 3.49Å; L996-L1067 HydrophobicContact CB-CD2 3.83Å; L996-L1067 HydrophobicContact CB-CG 4.42Å; L996-L1067 HydrophobicContact CG-CD2 4.44Å; L996-K1068 HydrophobicContact CD1-CG 3.57Å; L996-I1071 HydrophobicContact CB-CD1 4.16Å; L996-I1071 HydrophobicContact CD1-CD1 3.56Å |
| 997 | S | 88.7 | Confident | 82.6 | Confident | 71 Ų | 71 | 76.1 Ų | 76.1 | 50% | 0.497 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -56.9 | -44.9 | 178.4 | -172.8 | 0 | 0 | 0 | 0 | 112.3 | R993 Q994 N999 E1000 E1001 | R993-S997 PolarHBondContact O-N 3.25Å; Q994-S997 WeakPolarHBondContact O-CB 3.35Å; Q994-S997 PolarHBondContact O-N 3.01Å; S997-N999 VanDerWaalsContact C-N 3.34Å; S997-N999 PolarHBondContact O-N 3.17Å; S997-E1000 PolarHBondContact O-N 3.16Å; S997-E1001 PolarHBondContact O-N 2.83Å; S997-E1001 VanDerWaalsContact O-N 3.11Å |
| 998 | I | 87.8 | Confident | 80.8 | Confident | 77 Ų | 77 | 74.1 Ų | 74.1 | 40% | 0.395 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.4 | -39.7 | 179 | -66.5 | 165.6 | 0 | 0 | 0 | 111.1 | Q994 I995 L996 K1002 | Q994-I998 HydrophobicContact CG-CD1 4.34Å; Q994-I998 WeakPolarHBondContact O-CG1 3.27Å; Q994-I998 PolarHBondContact O-N 3.34Å; Q994-I998 VanDerWaalsContact O-N 3.13Å; I995-I998 PolarHBondContact O-N 3.39Å; L996-I998 VanDerWaalsContact C-N 3.33Å; L996-I998 PolarHBondContact O-N 3Å; I998-K1002 WeakPolarHBondContact O-CG 3.39Å; I998-K1002 PolarHBondContact O-N 2.73Å; I998-K1002 VanDerWaalsContact O-N 3.15Å |
| 999 | N | 83.3 | Confident | 79.2 | Confident | 37 Ų | 37 | 78.4 Ų | 78.4 | 20% | 0.198 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -74.2 | -34.1 | -178.8 | -74.3 | -31.4 | 0 | 0 | 0 | 113 | I995 L996 S997 K1002 L1003 I1064 | I995-N999 PolarHBondContact O-N 2.95Å; I995-N999 VanDerWaalsContact O-N 3.11Å; I995-N999 PolarHBondContact O-ND2 2.65Å; L996-N999 PolarHBondContact O-N 2.77Å; L996-N999 VanDerWaalsContact O-N 3.17Å; S997-N999 VanDerWaalsContact C-N 3.34Å; S997-N999 PolarHBondContact O-N 3.17Å; N999-K1002 PolarHBondContact O-N 3.36Å; N999-L1003 PolarHBondContact O-N 2.99Å; N999-L1003 VanDerWaalsContact O-N 3.11Å; N999-I1064 HydrophobicContact CB-CD1 4.28Å; N999-I1064 HydrophobicContact CB-CG1 4.08Å |
| 1000 | E | 84.8 | Confident | 77.2 | Confident | 62 Ų | 62 | 84.2 Ų | 84.2 | 29% | 0.29 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.8 | -40.4 | 172.7 | -71.7 | -171 | 153.3 | 0 | 0 | 111.7 | L996 S997 K1002 L1003 N1004 I1064 K1068 | L996-E1000 HydrophobicContact CD2-CG 3.9Å; L996-E1000 WeakPolarHBondContact CD2-OE2 3.46Å; L996-E1000 WeakPolarHBondContact O-CG 3.35Å; L996-E1000 PolarHBondContact O-N 3.49Å; S997-E1000 PolarHBondContact O-N 3.16Å; E1000-K1002 VanDerWaalsContact C-N 3.34Å; E1000-K1002 PolarHBondContact O-N 3.22Å; E1000-L1003 WeakPolarHBondContact O-CB 3.47Å; E1000-L1003 PolarHBondContact O-N 2.68Å; E1000-L1003 VanDerWaalsContact O-N 3.16Å; E1000-N1004 PolarHBondContact O-N 3.21Å; E1000-I1064 HydrophobicContact CG-CG2 4.37Å; E1000-K1068 WeakPolarHBondContact OE1-CE 3.42Å; E1000-K1068 IonicContact OE1-NZ 3.57Å; E1000-K1068 PolarHBondContact OE1-NZ 3.17Å |
| 1001 | E | 82.9 | Confident | 75 | Confident | 96 Ų | 96 | 88.9 Ų | 88.9 | 45% | 0.449 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 174.4 | -167.6 | -169.8 | 156.1 | 0 | 0 | 111.8 | S997 L1003 N1004 K1005 | S997-E1001 PolarHBondContact O-N 2.83Å; S997-E1001 VanDerWaalsContact O-N 3.11Å; E1001-L1003 VanDerWaalsContact C-N 3.3Å; E1001-L1003 PolarHBondContact O-N 2.96Å; E1001-N1004 PolarHBondContact O-N 3.4Å; E1001-K1005 WeakPolarHBondContact O-CG 3.48Å; E1001-K1005 PolarHBondContact O-N 2.84Å; E1001-K1005 WeakPolarHBondContact OE1-CE 3.48Å; E1001-K1005 IonicContact OE1-NZ 3.59Å; E1001-K1005 PolarHBondContact OE1-NZ 3.38Å |
| 1002 | K | 79.7 | Confident | 72.6 | Confident | 95 Ų | 95 | 92.1 Ų | 92.1 | 41% | 0.413 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.5 | -33.8 | 174.8 | -75.4 | -179.2 | -179.2 | -178.8 | 0 | 113 | I998 N999 E1000 | I998-K1002 WeakPolarHBondContact O-CG 3.39Å; I998-K1002 PolarHBondContact O-N 2.73Å; I998-K1002 VanDerWaalsContact O-N 3.15Å; N999-K1002 PolarHBondContact O-N 3.36Å; E1000-K1002 VanDerWaalsContact C-N 3.34Å; E1000-K1002 PolarHBondContact O-N 3.22Å |
| 1003 | L | 75.5 | Confident | 70.2 | Confident | 28 Ų | 28 | 99 Ų | 99 | 15% | 0.147 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -70.4 | -43 | 175.1 | -169.8 | 81.3 | 0 | 0 | 0 | 110.9 | N999 E1000 E1001 K1006 Q1007 L1060 I1064 | N999-L1003 PolarHBondContact O-N 2.99Å; N999-L1003 VanDerWaalsContact O-N 3.11Å; E1000-L1003 WeakPolarHBondContact O-CB 3.47Å; E1000-L1003 PolarHBondContact O-N 2.68Å; E1000-L1003 VanDerWaalsContact O-N 3.16Å; E1001-L1003 VanDerWaalsContact C-N 3.3Å; E1001-L1003 PolarHBondContact O-N 2.96Å; L1003-K1006 PolarHBondContact O-N 3.43Å; L1003-Q1007 PolarHBondContact O-N 2.76Å; L1003-L1060 HydrophobicContact CB-CD2 4.25Å; L1003-L1060 HydrophobicContact CD1-CD2 3.86Å; L1003-I1064 HydrophobicContact CB-CD1 4.22Å; L1003-I1064 HydrophobicContact CD2-CD1 4.31Å |
| 1004 | N | 76.2 | Confident | 67.8 | Low | 97 Ų | 97 | 100.3 Ų | 100.3 | 52% | 0.519 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.6 | -40.4 | -179.8 | -69.8 | -11.5 | 0 | 0 | 0 | 112.5 | E1000 E1001 K1006 Q1007 S1008 | E1000-N1004 PolarHBondContact O-N 3.21Å; E1001-N1004 PolarHBondContact O-N 3.4Å; N1004-K1006 PolarHBondContact O-N 3.38Å; N1004-Q1007 PolarHBondContact O-N 2.98Å; N1004-Q1007 VanDerWaalsContact O-N 3.15Å; N1004-S1008 PolarHBondContact O-N 2.86Å |
| 1005 | K | 73.1 | Confident | 65 | Low | 133 Ų | 133 | 102.1 Ų | 102.1 | 58% | 0.578 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.6 | -30.5 | 173.7 | -75.7 | 179.8 | -176.7 | 169.6 | 0 | 112.5 | E1001 | E1001-K1005 WeakPolarHBondContact O-CG 3.48Å; E1001-K1005 PolarHBondContact O-N 2.84Å; E1001-K1005 WeakPolarHBondContact OE1-CE 3.48Å; E1001-K1005 IonicContact OE1-NZ 3.59Å; E1001-K1005 PolarHBondContact OE1-NZ 3.38Å |
| 1006 | K | 63.5 | Low | 62.4 | Low | 99 Ų | 99 | 103.7 Ų | 103.7 | 43% | 0.43 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -76.8 | -35.3 | 175.2 | -75.2 | -173.1 | 176.4 | -171.9 | 0 | 112.9 | L1003 N1004 T1057 | L1003-K1006 PolarHBondContact O-N 3.43Å; N1004-K1006 PolarHBondContact O-N 3.38Å; K1006-T1057 HydrophobicContact CD-CG2 4.26Å |
| 1007 | Q | 56.3 | Low | 59.8 | Low | 110 Ų | 110 | 110.4 Ų | 110.4 | 51% | 0.514 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -71.4 | -33.2 | 176.1 | -77.8 | -173.7 | -44.1 | 0 | 0 | 113.1 | L1003 N1004 I1009 D1010 | L1003-Q1007 PolarHBondContact O-N 2.76Å; N1004-Q1007 PolarHBondContact O-N 2.98Å; N1004-Q1007 VanDerWaalsContact O-N 3.15Å; Q1007-I1009 PolarHBondContact O-N 3.42Å; Q1007-D1010 PolarHBondContact O-N 3.18Å; Q1007-D1010 VanDerWaalsContact O-N 3.16Å |
| 1008 | S | 47.5 | Very low | 57.2 | Low | 74 Ų | 74 | 112.3 Ų | 112.3 | 52% | 0.517 | 59% | 0.589 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.1 | -17.3 | -179.9 | -173 | 0 | 0 | 0 | 0 | 114.2 | N1004 | N1004-S1008 PolarHBondContact O-N 2.86Š|
| 1009 | I | 50.1 | Low | 54.4 | Low | 127 Ų | 127 | 115.8 Ų | 115.8 | 65% | 0.651 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -25.2 | 178.3 | -62.4 | 171.6 | 0 | 0 | 0 | 110.9 | Q1007 | Q1007-I1009 PolarHBondContact O-N 3.42Š|
| 1010 | D | 45.1 | Very low | 51.8 | Low | 137 Ų | 137 | 121.8 Ų | 121.8 | 73% | 0.733 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -12.8 | -177 | -66.9 | -20 | 0 | 0 | 0 | 113.5 | Q1007 | Q1007-D1010 PolarHBondContact O-N 3.18Å; Q1007-D1010 VanDerWaalsContact O-N 3.16Å |
| 1011 | E | 44.6 | Very low | 49.2 | Very low | 178 Ų | 178 | 123.4 Ų | 123.4 | 83% | 0.832 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | -3 | -177.8 | -86.8 | -167.1 | 167.6 | 0 | 0 | 115.6 | ||
| 1012 | L | 40.5 | Very low | 46.5 | Very low | 145 Ų | 145 | 125.9 Ų | 125.9 | 76% | 0.759 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -105 | -1.1 | -175.3 | -71.5 | 179.2 | 0 | 0 | 0 | 116.8 | ||
| 1013 | D | 38.6 | Very low | 44.3 | Very low | 152 Ų | 152 | 130.7 Ų | 130.7 | 81% | 0.813 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -108.5 | 18.2 | -171.3 | -106 | -1.1 | 0 | 0 | 0 | 116.3 | ||
| 1014 | L | 39.3 | Very low | 42 | Very low | 159 Ų | 159 | 137.4 Ų | 137.4 | 83% | 0.832 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -125.3 | 55.4 | 176.5 | -65.6 | 178.1 | 0 | 0 | 0 | 112.6 | ||
| 1015 | N | 32.4 | Very low | 40 | Very low | 165 Ų | 165 | 141.9 Ų | 141.9 | 88% | 0.882 | 74% | 0.743 | S | S | * | * | trans | -162 | 78.9 | 162.8 | -79.9 | -45.5 | 0 | 0 | 0 | 111.1 | ||||
| 1016 | S | 34.8 | Very low | 38 | Very low | 107 Ų | 107 | 139.1 Ų | 139.1 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | trans | -163.9 | 86.2 | 154.2 | -176.8 | 0 | 0 | 0 | 0 | 110.2 | C1018 | S1016-C1018 PolarHBondContact O-N 3.38Š| ||
| 1017 | D | 31.7 | Very low | 36.6 | Very low | 170 Ų | 170 | 142.1 Ų | 142.1 | 91% | 0.909 | 77% | 0.766 | S | S | * | * | trans | -60.9 | 116.4 | 158.3 | -72 | -43.9 | 0 | 0 | 0 | 109.1 | ||||
| 1018 | C | 33.1 | Very low | 35.6 | Very low | 111 Ų | 111 | 144.7 Ų | 144.7 | 75% | 0.75 | 78% | 0.783 | S | S | * | * | trans | -139 | 95.6 | 158.9 | 62.5 | 0 | 0 | 0 | 0 | 110 | S1016 | S1016-C1018 PolarHBondContact O-N 3.38Š| ||
| 1019 | D | 29.1 | Very low | 34.8 | Very low | 149 Ų | 149 | 149.2 Ų | 149.2 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -54.7 | 133.3 | 155.5 | -70 | -55.8 | 0 | 0 | 0 | 110.2 | ||||
| 1020 | N | 28.8 | Very low | 34 | Very low | 164 Ų | 164 | 146.7 Ų | 146.7 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | trans | -167.8 | 151.7 | 134.5 | -97.5 | -25.7 | 0 | 0 | 0 | 112.7 | ||||
| 1021 | P | 30.3 | Very low | 33.2 | Very low | 96 Ų | 96 | 147.8 Ų | 147.8 | 62% | 0.623 | 81% | 0.812 | S | S | * | * | trans | -110 | 155.5 | -149.2 | 39 | -28.8 | 0 | 0 | 0 | 114.6 | ||||
| 1022 | I | 26.4 | Very low | 32.5 | Very low | 147 Ų | 147 | 146.1 Ų | 146.1 | 75% | 0.754 | 81% | 0.808 | S | S | * | * | trans | 36.9 | 106.6 | 134.3 | -49.2 | 167.5 | 0 | 0 | 0 | 116.7 | E1024 | I1022-E1024 HydrophobicContact CG2-CG 4.07Š| ||
| 1023 | E | 32.9 | Very low | 32.1 | Very low | 197 Ų | 197 | 146 Ų | 146 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | trans | -121 | 118.9 | 145.4 | -77.7 | -173.5 | 168.7 | 0 | 0 | 108.9 | ||||
| 1024 | E | 28.2 | Very low | 31.6 | Very low | 169 Ų | 169 | 146.5 Ų | 146.5 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | trans | -74.3 | 133.7 | 171.2 | -59.6 | 177.8 | 152.7 | 0 | 0 | 108.9 | I1022 | I1022-E1024 HydrophobicContact CG2-CG 4.07Š| ||
| 1025 | E | 33.6 | Very low | 31.2 | Very low | 191 Ų | 191 | 148.8 Ų | 148.8 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | trans | -140 | 131.2 | 150.9 | -83.7 | -62.4 | 166.2 | 0 | 0 | 108 | ||||
| 1026 | A | 30.7 | Very low | 31 | Very low | 75 Ų | 75 | 149.9 Ų | 149.9 | 62% | 0.62 | 81% | 0.814 | S | S | * | * | trans | -81.4 | 169.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1027 | D | 35.5 | Very low | 31 | Very low | 161 Ų | 161 | 149.2 Ų | 149.2 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | trans | 119.1 | 118.2 | 151.2 | -58.6 | -24.6 | 0 | 0 | 0 | 117.5 | ||||
| 1028 | D | 34.8 | Very low | 31.3 | Very low | 165 Ų | 165 | 147.2 Ų | 147.2 | 88% | 0.882 | 80% | 0.803 | S | S | * | * | trans | 104.1 | 103.7 | 148.8 | -128.6 | 7 | 0 | 0 | 0 | 119.5 | G1030 | D1028-G1030 PolarHBondContact O-N 3.28Š| ||
| 1029 | D | 30.1 | Very low | 31.5 | Very low | 168 Ų | 168 | 147.6 Ų | 147.6 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | trans | -69.5 | 111.9 | 175.9 | -75.9 | -55.5 | 0 | 0 | 0 | 110.9 | ||||
| 1030 | G | 33 | Very low | 31.9 | Very low | 74 Ų | 74 | 146.2 Ų | 146.2 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | trans | -139.4 | 78.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D1028 | D1028-G1030 PolarHBondContact O-N 3.28Š| ||
| 1031 | N | 29.5 | Very low | 32.4 | Very low | 160 Ų | 160 | 146.6 Ų | 146.6 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | trans | 51.5 | 106 | 156.3 | -158.2 | 18 | 0 | 0 | 0 | 119.4 | ||||
| 1032 | I | 29.1 | Very low | 32.8 | Very low | 144 Ų | 144 | 150.9 Ų | 150.9 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | trans | -60.7 | 116.5 | 166.1 | -64.5 | 154.5 | 0 | 0 | 0 | 111.1 | ||||
| 1033 | N | 31.6 | Very low | 33.4 | Very low | 143 Ų | 143 | 152.6 Ų | 152.6 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | 178.9 | 135 | 128.8 | -91.2 | -29 | 0 | 0 | 0 | 111.1 | |||||
| 1034 | N | 30 | Very low | 34 | Very low | 161 Ų | 161 | 146.5 Ų | 146.5 | 86% | 0.861 | 77% | 0.77 | S | S | * | * | trans | 90.3 | 55 | 175.4 | -54.7 | -15.8 | 0 | 0 | 0 | 117.3 | ||||
| 1035 | K | 28.9 | Very low | 34.6 | Very low | 207 Ų | 207 | 144.7 Ų | 144.7 | 90% | 0.9 | 77% | 0.765 | S | S | * | * | trans | -104.1 | 96.7 | 146.7 | -84.4 | -178.6 | 178.7 | 172 | 0 | 108.8 | ||||
| 1036 | E | 30.1 | Very low | 35.5 | Very low | 188 Ų | 188 | 138.4 Ų | 138.4 | 88% | 0.879 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -170.3 | 84.9 | 154.5 | -109.2 | 177 | -157.4 | 0 | 0 | 108.2 | ||
| 1037 | S | 33.5 | Very low | 36.4 | Very low | 94 Ų | 94 | 140.5 Ų | 140.5 | 66% | 0.657 | 74% | 0.743 | S | S | * | * | S | Bend | trans | 179.5 | -16.8 | 156.4 | 45.5 | 0 | 0 | 0 | 0 | 114.6 | T1039 | S1037-T1039 PolarHBondContact O-N 3.24Š|
| 1038 | V | 39.4 | Very low | 37.1 | Very low | 128 Ų | 128 | 139.5 Ų | 139.5 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -14.2 | -173.9 | -176.7 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1039 | T | 36.9 | Very low | 37.9 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 73% | 0.73 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -15.2 | 178.4 | 45.5 | 0 | 0 | 0 | 0 | 114.4 | S1037 | S1037-T1039 PolarHBondContact O-N 3.24Š|
| 1040 | N | 36.5 | Very low | 39.2 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 64% | 0.636 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -88 | -11.1 | 179.3 | -77.3 | -15.7 | 0 | 0 | 0 | 114.6 | T1044 | N1040-T1044 PolarHBondContact O-OG1 3.45Å |
| 1041 | K | 39.7 | Very low | 40.4 | Very low | 173 Ų | 173 | 134.5 Ų | 134.5 | 75% | 0.752 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -84.5 | -23.9 | 177.8 | -104.6 | -178.7 | 177.3 | 179.2 | 0 | 114.5 | T1044 | K1041-T1044 PolarHBondContact O-OG1 3.18Å |
| 1042 | K | 37.8 | Very low | 42.1 | Very low | 185 Ų | 185 | 130 Ų | 130 | 80% | 0.804 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -81.1 | -29.3 | 175 | -92.7 | -175 | 173.6 | -177.3 | 0 | 113.4 | A1046 | K1042-A1046 PolarHBondContact O-N 2.79Å |
| 1043 | R | 39.6 | Very low | 44.2 | Very low | 184 Ų | 184 | 128.6 Ų | 128.6 | 69% | 0.694 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -71.8 | -38.4 | 174.6 | -115 | 179.3 | -179.9 | 171.6 | -0.7 | 112.9 | L1045 A1046 E1047 | R1043-L1045 PolarHBondContact O-N 3.39Å; R1043-A1046 PolarHBondContact O-N 3.24Å; R1043-E1047 WeakPolarHBondContact O-CG 3.49Å; R1043-E1047 PolarHBondContact O-N 3.07Å |
| 1044 | T | 45.5 | Very low | 46.1 | Very low | 68 Ų | 68 | 125.6 Ų | 125.6 | 42% | 0.417 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -68.6 | -31.9 | 179.7 | 42.3 | 0 | 0 | 0 | 0 | 113.4 | N1040 K1041 Q1048 | N1040-T1044 PolarHBondContact O-OG1 3.45Å; K1041-T1044 PolarHBondContact O-OG1 3.18Å; T1044-Q1048 WeakPolarHBondContact O-CB 3.44Å; T1044-Q1048 WeakPolarHBondContact O-CG 3.35Å; T1044-Q1048 PolarHBondContact O-N 3.07Å; T1044-Q1048 VanDerWaalsContact O-N 3.09Å |
| 1045 | L | 41.9 | Very low | 47.9 | Very low | 131 Ų | 131 | 122.1 Ų | 122.1 | 69% | 0.686 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -72.6 | -38.3 | 175.8 | -132.5 | 93.9 | 0 | 0 | 0 | 112.5 | R1043 N1049 | R1043-L1045 PolarHBondContact O-N 3.39Å; L1045-N1049 PolarHBondContact O-N 2.99Å; L1045-N1049 VanDerWaalsContact O-N 3.16Å |
| 1046 | A | 50.9 | Low | 50.1 | Low | 59 Ų | 59 | 115.6 Ų | 115.6 | 49% | 0.488 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.4 | -44.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | K1042 R1043 Q1048 N1049 E1050 | K1042-A1046 PolarHBondContact O-N 2.79Å; R1043-A1046 PolarHBondContact O-N 3.24Å; A1046-Q1048 PolarHBondContact O-N 3.38Å; A1046-N1049 PolarHBondContact O-N 3.33Å; A1046-E1050 WeakPolarHBondContact O-CG 3.24Å; A1046-E1050 PolarHBondContact O-N 3.45Å |
| 1047 | E | 50.9 | Low | 52.4 | Low | 119 Ų | 119 | 108 Ų | 108 | 56% | 0.556 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65 | -36.7 | 177.2 | -73.5 | 172.1 | -171.7 | 0 | 0 | 112.8 | R1043 N1051 | R1043-E1047 WeakPolarHBondContact O-CG 3.49Å; R1043-E1047 PolarHBondContact O-N 3.07Å; E1047-N1051 WeakPolarHBondContact O-CB 3.41Å; E1047-N1051 PolarHBondContact O-N 3.2Å; E1047-N1051 VanDerWaalsContact O-N 3.08Å |
| 1048 | Q | 49.6 | Very low | 54.5 | Low | 141 Ų | 141 | 107.5 Ų | 107.5 | 66% | 0.659 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.8 | -37.4 | 175.5 | -76.9 | -162.7 | 0.1 | 0 | 0 | 112.5 | T1044 A1046 N1051 T1052 | T1044-Q1048 WeakPolarHBondContact O-CB 3.44Å; T1044-Q1048 WeakPolarHBondContact O-CG 3.35Å; T1044-Q1048 PolarHBondContact O-N 3.07Å; T1044-Q1048 VanDerWaalsContact O-N 3.09Å; A1046-Q1048 PolarHBondContact O-N 3.38Å; Q1048-N1051 PolarHBondContact O-N 2.85Å; Q1048-T1052 PolarHBondContact O-N 2.96Å; Q1048-T1052 PolarHBondContact O-OG1 3.14Å |
| 1049 | N | 52.5 | Low | 56.2 | Low | 93 Ų | 93 | 109.3 Ų | 109.3 | 50% | 0.497 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -73.3 | -34.6 | -179.9 | -149 | 7.7 | 0 | 0 | 0 | 112.3 | L1045 A1046 T1052 K1053 | L1045-N1049 PolarHBondContact O-N 2.99Å; L1045-N1049 VanDerWaalsContact O-N 3.16Å; A1046-N1049 PolarHBondContact O-N 3.33Å; N1049-T1052 WeakPolarHBondContact CA-OG1 3.49Å; N1049-T1052 PolarHBondContact O-OG1 3.23Å; N1049-K1053 WeakPolarHBondContact O-CB 3.43Å; N1049-K1053 VanDerWaalsContact O-CG 3.23Å; N1049-K1053 WeakPolarHBondContact O-CG 3.49Å; N1049-K1053 PolarHBondContact O-N 3.25Å; N1049-K1053 VanDerWaalsContact O-N 3.11Å |
| 1050 | E | 57.4 | Low | 58.3 | Low | 113 Ų | 113 | 106 Ų | 106 | 53% | 0.528 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 169.1 | -78.3 | -79 | 132.1 | 0 | 0 | 111.6 | A1046 K1053 N1054 | A1046-E1050 WeakPolarHBondContact O-CG 3.24Å; A1046-E1050 PolarHBondContact O-N 3.45Å; E1050-K1053 PolarHBondContact O-N 3.47Å; E1050-N1054 WeakPolarHBondContact O-CB 3.08Å; E1050-N1054 PolarHBondContact O-N 2.93Å; E1050-N1054 PolarHBondContact O-ND2 3.19Å; E1050-N1054 VanDerWaalsContact O-ND2 3.16Å |
| 1051 | N | 58.1 | Low | 60.6 | Low | 96 Ų | 96 | 106 Ų | 106 | 51% | 0.513 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.2 | -37 | -177.1 | -154.1 | 16.4 | 0 | 0 | 0 | 112.3 | E1047 Q1048 Q1055 | E1047-N1051 WeakPolarHBondContact O-CB 3.41Å; E1047-N1051 PolarHBondContact O-N 3.2Å; E1047-N1051 VanDerWaalsContact O-N 3.08Å; Q1048-N1051 PolarHBondContact O-N 2.85Å; N1051-Q1055 WeakPolarHBondContact O-CB 3.4Å; N1051-Q1055 WeakPolarHBondContact O-CG 3.49Å; N1051-Q1055 PolarHBondContact O-N 3.33Å |
| 1052 | T | 63.7 | Low | 62.6 | Low | 66 Ų | 66 | 102.7 Ų | 102.7 | 41% | 0.405 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.1 | -42.9 | 173.9 | 50.1 | 0 | 0 | 0 | 0 | 111.8 | Q1048 N1049 N1054 Q1055 Q1056 | Q1048-T1052 PolarHBondContact O-N 2.96Å; Q1048-T1052 PolarHBondContact O-OG1 3.14Å; N1049-T1052 WeakPolarHBondContact CA-OG1 3.49Å; N1049-T1052 PolarHBondContact O-OG1 3.23Å; T1052-N1054 VanDerWaalsContact C-N 3.34Å; T1052-N1054 PolarHBondContact O-N 2.98Å; T1052-Q1055 PolarHBondContact O-N 3.36Å; T1052-Q1056 WeakPolarHBondContact O-CG 3.39Å; T1052-Q1056 PolarHBondContact O-N 2.73Å |
| 1053 | K | 73 | Confident | 64.9 | Low | 114 Ų | 114 | 96.7 Ų | 96.7 | 50% | 0.496 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58.2 | -45.3 | 173.3 | -75.1 | 175.6 | -177.9 | -177 | 0 | 111.5 | N1049 E1050 Q1056 T1057 | N1049-K1053 WeakPolarHBondContact O-CB 3.43Å; N1049-K1053 VanDerWaalsContact O-CG 3.23Å; N1049-K1053 WeakPolarHBondContact O-CG 3.49Å; N1049-K1053 PolarHBondContact O-N 3.25Å; N1049-K1053 VanDerWaalsContact O-N 3.11Å; E1050-K1053 PolarHBondContact O-N 3.47Å; K1053-Q1056 PolarHBondContact O-N 3.26Å; K1053-T1057 WeakPolarHBondContact O-CG2 3.37Å; K1053-T1057 PolarHBondContact O-N 3.26Å; K1053-T1057 PolarHBondContact O-OG1 2.88Å |
| 1054 | N | 71.6 | Confident | 67.1 | Low | 80 Ų | 80 | 88.6 Ų | 88.6 | 43% | 0.428 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.9 | -38.8 | 176.2 | -80.1 | -39.7 | 0 | 0 | 0 | 113 | E1050 T1052 T1057 I1058 | E1050-N1054 WeakPolarHBondContact O-CB 3.08Å; E1050-N1054 PolarHBondContact O-N 2.93Å; E1050-N1054 PolarHBondContact O-ND2 3.19Å; E1050-N1054 VanDerWaalsContact O-ND2 3.16Å; T1052-N1054 VanDerWaalsContact C-N 3.34Å; T1052-N1054 PolarHBondContact O-N 2.98Å; N1054-T1057 WeakPolarHBondContact CA-OG1 3.32Å; N1054-T1057 PolarHBondContact O-N 3.14Å; N1054-T1057 PolarHBondContact O-OG1 2.8Å; N1054-I1058 WeakPolarHBondContact O-CD1 3.47Å; N1054-I1058 WeakPolarHBondContact O-CG1 3.26Å; N1054-I1058 PolarHBondContact O-N 2.88Å; N1054-I1058 VanDerWaalsContact O-N 3.08Å |
| 1055 | Q | 68.8 | Low | 68.9 | Low | 87 Ų | 87 | 87.2 Ų | 87.2 | 41% | 0.407 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.6 | -39.2 | 173.6 | -76.2 | -176.6 | 13.3 | 0 | 0 | 112.4 | N1051 T1052 I1058 R1059 | N1051-Q1055 WeakPolarHBondContact O-CB 3.4Å; N1051-Q1055 WeakPolarHBondContact O-CG 3.49Å; N1051-Q1055 PolarHBondContact O-N 3.33Å; T1052-Q1055 PolarHBondContact O-N 3.36Å; Q1055-I1058 PolarHBondContact O-N 3.2Å; Q1055-R1059 WeakPolarHBondContact O-CG 3.37Å; Q1055-R1059 PolarHBondContact O-N 3.48Å |
| 1056 | Q | 75.9 | Confident | 71 | Confident | 70 Ų | 70 | 84.8 Ų | 84.8 | 33% | 0.327 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 176 | -74.8 | -178.4 | -13.6 | 0 | 0 | 111.8 | T1052 K1053 R1059 L1060 | T1052-Q1056 WeakPolarHBondContact O-CG 3.39Å; T1052-Q1056 PolarHBondContact O-N 2.73Å; K1053-Q1056 PolarHBondContact O-N 3.26Å; Q1056-R1059 PolarHBondContact O-N 3.34Å; Q1056-L1060 WeakPolarHBondContact O-CB 3.35Å; Q1056-L1060 PolarHBondContact O-N 3.48Å |
| 1057 | T | 78.2 | Confident | 72.6 | Confident | 30 Ų | 30 | 83.2 Ų | 83.2 | 18% | 0.184 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -65.6 | -37.9 | 177.3 | 58.7 | 0 | 0 | 0 | 0 | 112.1 | K1006 K1053 N1054 L1060 R1061 | K1006-T1057 HydrophobicContact CD-CG2 4.26Å; K1053-T1057 WeakPolarHBondContact O-CG2 3.37Å; K1053-T1057 PolarHBondContact O-N 3.26Å; K1053-T1057 PolarHBondContact O-OG1 2.88Å; N1054-T1057 WeakPolarHBondContact CA-OG1 3.32Å; N1054-T1057 PolarHBondContact O-N 3.14Å; N1054-T1057 PolarHBondContact O-OG1 2.8Å; T1057-L1060 PolarHBondContact O-N 3.37Å; T1057-R1061 WeakPolarHBondContact O-CB 3.47Å; T1057-R1061 PolarHBondContact O-N 3.42Å |
| 1058 | I | 76.5 | Confident | 74.5 | Confident | 83 Ų | 83 | 82.3 Ų | 82.3 | 43% | 0.426 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 173.9 | -67.1 | 163.8 | 0 | 0 | 0 | 111.2 | N1054 Q1055 R1061 N1062 | N1054-I1058 WeakPolarHBondContact O-CD1 3.47Å; N1054-I1058 WeakPolarHBondContact O-CG1 3.26Å; N1054-I1058 PolarHBondContact O-N 2.88Å; N1054-I1058 VanDerWaalsContact O-N 3.08Å; Q1055-I1058 PolarHBondContact O-N 3.2Å; I1058-R1061 PolarHBondContact O-N 3.16Å; I1058-N1062 PolarHBondContact O-N 3.11Å |
| 1059 | R | 75 | Confident | 76.3 | Confident | 166 Ų | 166 | 78.9 Ų | 78.9 | 63% | 0.626 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -62.2 | -44.7 | 177 | -73.3 | 176.3 | -172.5 | 159.7 | 6.1 | 111.7 | Q1055 Q1056 R1061 N1062 A1063 | Q1055-R1059 WeakPolarHBondContact O-CG 3.37Å; Q1055-R1059 PolarHBondContact O-N 3.48Å; Q1056-R1059 PolarHBondContact O-N 3.34Å; R1059-R1061 VanDerWaalsContact C-N 3.34Å; R1059-R1061 PolarHBondContact O-N 3.22Å; R1059-N1062 PolarHBondContact O-N 2.78Å; R1059-A1063 PolarHBondContact O-N 3.44Å |
| 1060 | L | 82.2 | Confident | 78 | Confident | 49 Ų | 49 | 77.7 Ų | 77.7 | 26% | 0.257 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 176.9 | -159.2 | 90.1 | 0 | 0 | 0 | 111.1 | L1003 Q1056 T1057 N1062 A1063 I1064 | L1003-L1060 HydrophobicContact CB-CD2 4.25Å; L1003-L1060 HydrophobicContact CD1-CD2 3.86Å; Q1056-L1060 WeakPolarHBondContact O-CB 3.35Å; Q1056-L1060 PolarHBondContact O-N 3.48Å; T1057-L1060 PolarHBondContact O-N 3.37Å; L1060-N1062 VanDerWaalsContact C-N 3.35Å; L1060-N1062 PolarHBondContact O-N 3.15Å; L1060-A1063 PolarHBondContact O-N 3.45Å; L1060-I1064 HydrophobicContact CD2-CD1 4.17Å; L1060-I1064 HydrophobicContact CG-CD1 4.22Å; L1060-I1064 VanDerWaalsContact O-CG1 3.31Å; L1060-I1064 WeakPolarHBondContact O-CG1 3.2Å; L1060-I1064 PolarHBondContact O-N 2.94Å |
| 1061 | R | 84.7 | Confident | 79.4 | Confident | 119 Ų | 119 | 73 Ų | 73 | 45% | 0.449 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.9 | -42.1 | 177.6 | -169 | -177.4 | -67.8 | 119.9 | -2.7 | 112 | T1057 I1058 R1059 I1064 G1065 | T1057-R1061 WeakPolarHBondContact O-CB 3.47Å; T1057-R1061 PolarHBondContact O-N 3.42Å; I1058-R1061 PolarHBondContact O-N 3.16Å; R1059-R1061 VanDerWaalsContact C-N 3.34Å; R1059-R1061 PolarHBondContact O-N 3.22Å; R1061-I1064 PolarHBondContact O-N 3.29Å; R1061-G1065 PolarHBondContact O-N 3.22Å |
| 1062 | N | 81.7 | Confident | 80.9 | Confident | 104 Ų | 104 | 70.8 Ų | 70.8 | 56% | 0.556 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -67.8 | -38.3 | 176.9 | -70.8 | -10.3 | 0 | 0 | 0 | 112.4 | I1058 R1059 L1060 G1065 S1066 | I1058-N1062 PolarHBondContact O-N 3.11Å; R1059-N1062 PolarHBondContact O-N 2.78Å; L1060-N1062 VanDerWaalsContact C-N 3.35Å; L1060-N1062 PolarHBondContact O-N 3.15Å; N1062-G1065 PolarHBondContact O-N 3.43Å; N1062-S1066 PolarHBondContact O-N 3.43Å; N1062-S1066 PolarHBondContact O-OG 3.35Å |
| 1063 | A | 85.3 | Confident | 82 | Confident | 59 Ų | 59 | 72 Ų | 72 | 49% | 0.488 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.7 | -44.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | R1059 L1060 G1065 S1066 L1067 | R1059-A1063 PolarHBondContact O-N 3.44Å; L1060-A1063 PolarHBondContact O-N 3.45Å; A1063-G1065 VanDerWaalsContact C-N 3.34Å; A1063-G1065 PolarHBondContact O-N 3.32Å; A1063-S1066 PolarHBondContact O-N 2.87Å; A1063-L1067 PolarHBondContact O-N 3.27Å |
| 1064 | I | 85 | Confident | 82.4 | Confident | 13 Ų | 13 | 68 Ų | 68 | 7% | 0.067 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 174.8 | -68.5 | 166.8 | 0 | 0 | 0 | 110.9 | N999 E1000 L1003 L1060 R1061 S1066 L1067 K1068 | N999-I1064 HydrophobicContact CB-CD1 4.28Å; N999-I1064 HydrophobicContact CB-CG1 4.08Å; E1000-I1064 HydrophobicContact CG-CG2 4.37Å; L1003-I1064 HydrophobicContact CB-CD1 4.22Å; L1003-I1064 HydrophobicContact CD2-CD1 4.31Å; L1060-I1064 HydrophobicContact CD2-CD1 4.17Å; L1060-I1064 HydrophobicContact CG-CD1 4.22Å; L1060-I1064 VanDerWaalsContact O-CG1 3.31Å; L1060-I1064 WeakPolarHBondContact O-CG1 3.2Å; L1060-I1064 PolarHBondContact O-N 2.94Å; R1061-I1064 PolarHBondContact O-N 3.29Å; I1064-S1066 VanDerWaalsContact C-N 3.31Å; I1064-S1066 PolarHBondContact O-N 2.96Å; I1064-L1067 PolarHBondContact O-N 3.18Å; I1064-K1068 HydrophobicContact CG2-CD 4.33Å; I1064-K1068 WeakPolarHBondContact O-CG 3.45Å; I1064-K1068 PolarHBondContact O-N 3.03Å |
| 1065 | G | 83.7 | Confident | 83.1 | Confident | 40 Ų | 40 | 66.9 Ų | 66.9 | 41% | 0.412 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.3 | -39.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | R1061 N1062 A1063 K1068 S1069 | R1061-G1065 PolarHBondContact O-N 3.22Å; N1062-G1065 PolarHBondContact O-N 3.43Å; A1063-G1065 VanDerWaalsContact C-N 3.34Å; A1063-G1065 PolarHBondContact O-N 3.32Å; G1065-K1068 PolarHBondContact O-N 3.33Å; G1065-S1069 PolarHBondContact O-N 3.22Å; G1065-S1069 VanDerWaalsContact O-N 3.13Å |
| 1066 | S | 86 | Confident | 83.8 | Confident | 80 Ų | 80 | 69.2 Ų | 69.2 | 56% | 0.559 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -68.6 | -41.8 | 177.4 | -56.4 | 0 | 0 | 0 | 0 | 112 | N1062 A1063 I1064 S1069 L1070 | N1062-S1066 PolarHBondContact O-N 3.43Å; N1062-S1066 PolarHBondContact O-OG 3.35Å; A1063-S1066 PolarHBondContact O-N 2.87Å; I1064-S1066 VanDerWaalsContact C-N 3.31Å; I1064-S1066 PolarHBondContact O-N 2.96Å; S1066-S1069 PolarHBondContact O-N 3.46Å; S1066-L1070 PolarHBondContact O-N 3.32Å |
| 1067 | L | 85.6 | Confident | 83.7 | Confident | 26 Ų | 26 | 69.7 Ų | 69.7 | 14% | 0.136 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 175.3 | -178.9 | 59.4 | 0 | 0 | 0 | 111.9 | L992 I995 L996 A1063 I1064 S1069 L1070 I1071 | L992-L1067 HydrophobicContact CD2-CD1 3.95Å; I995-L1067 HydrophobicContact CG2-CD2 4.04Å; L996-L1067 HydrophobicContact CB-CD2 3.83Å; L996-L1067 HydrophobicContact CB-CG 4.42Å; L996-L1067 HydrophobicContact CG-CD2 4.44Å; A1063-L1067 PolarHBondContact O-N 3.27Å; I1064-L1067 PolarHBondContact O-N 3.18Å; L1067-S1069 PolarHBondContact O-N 3.45Å; L1067-L1070 PolarHBondContact O-N 3.1Å; L1067-I1071 HydrophobicContact CD1-CD1 4.24Å; L1067-I1071 HydrophobicContact CD1-CG1 4.46Å; L1067-I1071 HydrophobicContact CG-CD1 4.1Å; L1067-I1071 WeakPolarHBondContact O-CG1 3.38Å; L1067-I1071 PolarHBondContact O-N 3.01Å |
| 1068 | K | 89.7 | Confident | 84 | Confident | 99 Ų | 99 | 71.1 Ų | 71.1 | 43% | 0.43 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59 | -45.3 | 173.4 | -78 | 177.5 | 179.8 | -171.7 | 0 | 112.4 | L996 E1000 I1064 G1065 I1071 A1072 | L996-K1068 HydrophobicContact CD1-CG 3.57Å; E1000-K1068 WeakPolarHBondContact OE1-CE 3.42Å; E1000-K1068 IonicContact OE1-NZ 3.57Å; E1000-K1068 PolarHBondContact OE1-NZ 3.17Å; I1064-K1068 HydrophobicContact CG2-CD 4.33Å; I1064-K1068 WeakPolarHBondContact O-CG 3.45Å; I1064-K1068 PolarHBondContact O-N 3.03Å; G1065-K1068 PolarHBondContact O-N 3.33Å; K1068-I1071 PolarHBondContact O-N 3.45Å; K1068-A1072 PolarHBondContact O-N 3.08Å |
| 1069 | S | 88.1 | Confident | 84.2 | Confident | 69 Ų | 69 | 73.8 Ų | 73.8 | 48% | 0.483 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 176.8 | -173.9 | 0 | 0 | 0 | 0 | 111.9 | G1065 S1066 L1067 A1072 N1073 | G1065-S1069 PolarHBondContact O-N 3.22Å; G1065-S1069 VanDerWaalsContact O-N 3.13Å; S1066-S1069 PolarHBondContact O-N 3.46Å; L1067-S1069 PolarHBondContact O-N 3.45Å; S1069-A1072 PolarHBondContact O-N 3.5Å; S1069-N1073 PolarHBondContact O-N 2.65Å; S1069-N1073 VanDerWaalsContact O-N 3.09Å; S1069-N1073 PolarHBondContact O-ND2 2.94Å |
| 1070 | L | 87.6 | Confident | 84.3 | Confident | 69 Ų | 69 | 68.3 Ų | 68.3 | 36% | 0.361 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.5 | -46.5 | 175.9 | 178.7 | 63.4 | 0 | 0 | 0 | 112 | L992 S1066 L1067 A1072 N1073 L1074 | L992-L1070 HydrophobicContact CD1-CD2 4.41Å; S1066-L1070 PolarHBondContact O-N 3.32Å; L1067-L1070 PolarHBondContact O-N 3.1Å; L1070-A1072 PolarHBondContact O-N 2.97Å; L1070-N1073 PolarHBondContact O-N 2.74Å; L1070-L1074 HydrophobicContact CD1-CD1 4.35Å; L1070-L1074 HydrophobicContact CD1-CG 4.42Å; L1070-L1074 HydrophobicContact CG-CD1 4.2Å; L1070-L1074 WeakPolarHBondContact O-CG 3.5Å; L1070-L1074 PolarHBondContact O-N 2.7Å |
| 1071 | I | 87.7 | Confident | 84.1 | Confident | 13 Ų | 13 | 67.3 Ų | 67.3 | 7% | 0.067 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.7 | -44.8 | 177.9 | -70.9 | 167.5 | 0 | 0 | 0 | 110.7 | L989 L992 L996 L1067 K1068 N1073 L1074 E1075 | L989-I1071 HydrophobicContact CD1-CG2 3.99Å; L992-I1071 HydrophobicContact CB-CD1 4.11Å; L992-I1071 HydrophobicContact CB-CG1 3.93Å; L996-I1071 HydrophobicContact CB-CD1 4.16Å; L996-I1071 HydrophobicContact CD1-CD1 3.56Å; L1067-I1071 HydrophobicContact CD1-CD1 4.24Å; L1067-I1071 HydrophobicContact CD1-CG1 4.46Å; L1067-I1071 HydrophobicContact CG-CD1 4.1Å; L1067-I1071 WeakPolarHBondContact O-CG1 3.38Å; L1067-I1071 PolarHBondContact O-N 3.01Å; K1068-I1071 PolarHBondContact O-N 3.45Å; I1071-N1073 VanDerWaalsContact C-N 3.33Å; I1071-N1073 PolarHBondContact O-N 3.45Å; I1071-L1074 PolarHBondContact O-N 2.9Å; I1071-E1075 WeakPolarHBondContact O-CG 3.34Å; I1071-E1075 PolarHBondContact O-N 3.31Å |
| 1072 | A | 88.9 | Confident | 83.8 | Confident | 50 Ų | 50 | 64.9 Ų | 64.9 | 41% | 0.413 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.2 | -42 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | K1068 S1069 L1070 E1075 E1076 | K1068-A1072 PolarHBondContact O-N 3.08Å; S1069-A1072 PolarHBondContact O-N 3.5Å; L1070-A1072 PolarHBondContact O-N 2.97Å; A1072-E1075 PolarHBondContact O-N 3.13Å; A1072-E1076 PolarHBondContact O-N 2.92Å; A1072-E1076 VanDerWaalsContact O-N 3.09Å |
| 1073 | N | 86.4 | Confident | 83.5 | Confident | 93 Ų | 93 | 64.9 Ų | 64.9 | 50% | 0.497 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.1 | -40.1 | 176.5 | -68.7 | -30.3 | 0 | 0 | 0 | 112.3 | S1069 L1070 I1071 E1075 E1076 L1077 | S1069-N1073 PolarHBondContact O-N 2.65Å; S1069-N1073 VanDerWaalsContact O-N 3.09Å; S1069-N1073 PolarHBondContact O-ND2 2.94Å; L1070-N1073 PolarHBondContact O-N 2.74Å; I1071-N1073 VanDerWaalsContact C-N 3.33Å; I1071-N1073 PolarHBondContact O-N 3.45Å; N1073-E1075 VanDerWaalsContact C-N 3.34Å; N1073-E1076 PolarHBondContact O-N 3.46Å; N1073-L1077 PolarHBondContact O-N 3.03Å |
| 1074 | L | 82.2 | Confident | 83 | Confident | 29 Ų | 29 | 70.2 Ų | 70.2 | 15% | 0.152 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -68.2 | -33.2 | 176.8 | -69.6 | 174.6 | 0 | 0 | 0 | 112.2 | L985 L988 L989 L992 L1070 I1071 L1077 Y1078 | L985-L1074 HydrophobicContact CD1-CD2 3.99Å; L988-L1074 HydrophobicContact CD2-CD1 4.2Å; L989-L1074 HydrophobicContact CD1-CB 4.06Å; L992-L1074 HydrophobicContact CD1-CD1 3.34Å; L1070-L1074 HydrophobicContact CD1-CD1 4.35Å; L1070-L1074 HydrophobicContact CD1-CG 4.42Å; L1070-L1074 HydrophobicContact CG-CD1 4.2Å; L1070-L1074 WeakPolarHBondContact O-CG 3.5Å; L1070-L1074 PolarHBondContact O-N 2.7Å; I1071-L1074 PolarHBondContact O-N 2.9Å; L1074-L1077 WeakPolarHBondContact O-CB 3.48Å; L1074-L1077 PolarHBondContact O-N 3.14Å; L1074-Y1078 WeakPolarHBondContact O-CB 3.44Å; L1074-Y1078 PolarHBondContact O-N 3.42Å |
| 1075 | E | 85.3 | Confident | 82.4 | Confident | 57 Ų | 57 | 72.4 Ų | 72.4 | 27% | 0.266 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66.3 | -40 | 172.7 | -74.3 | 179.3 | 176.7 | 0 | 0 | 112.5 | L989 R993 I1071 A1072 N1073 Y1078 K1079 | L989-E1075 HydrophobicContact CD1-CG 3.88Å; L989-E1075 HydrophobicContact CD2-CG 3.8Å; L989-E1075 HydrophobicContact CG-CG 4.46Å; R993-E1075 IonicContact CZ-OE1 3.27Å; R993-E1075 IonicContact NE-OE1 2.72Å; R993-E1075 IonicContact NH2-OE1 3.42Å; R993-E1075 PolarHBondContact NH2-OE1 2.96Å; I1071-E1075 WeakPolarHBondContact O-CG 3.34Å; I1071-E1075 PolarHBondContact O-N 3.31Å; A1072-E1075 PolarHBondContact O-N 3.13Å; N1073-E1075 VanDerWaalsContact C-N 3.34Å; E1075-Y1078 PolarHBondContact O-N 3.13Å; E1075-K1079 WeakPolarHBondContact O-CG 3.49Å; E1075-K1079 PolarHBondContact O-N 2.7Å |
| 1076 | E | 83.4 | Confident | 82.1 | Confident | 136 Ų | 136 | 74.7 Ų | 74.7 | 64% | 0.636 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64.7 | -41.6 | 173.4 | -170.1 | 174.1 | -172.3 | 0 | 0 | 111.3 | A1072 N1073 Y1078 K1079 S1080 | A1072-E1076 PolarHBondContact O-N 2.92Å; A1072-E1076 VanDerWaalsContact O-N 3.09Å; N1073-E1076 PolarHBondContact O-N 3.46Å; E1076-Y1078 PolarHBondContact O-N 3.32Å; E1076-K1079 PolarHBondContact O-N 3.03Å; E1076-S1080 WeakPolarHBondContact O-CB 3.38Å; E1076-S1080 PolarHBondContact O-N 3.07Å |
| 1077 | L | 74.9 | Confident | 81.3 | Confident | 79 Ų | 79 | 77.2 Ų | 77.2 | 41% | 0.414 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.5 | -44.4 | 173.3 | -164.1 | 92.1 | 0 | 0 | 0 | 111.4 | A979 L985 N1073 L1074 K1079 S1080 V1081 | A979-L1077 HydrophobicContact CB-CD2 4.11Å; L985-L1077 HydrophobicContact CD1-CD2 4.11Å; L985-L1077 HydrophobicContact CD2-CB 4.48Å; L985-L1077 HydrophobicContact CD2-CD2 3.83Å; L985-L1077 HydrophobicContact CD2-CG 4.38Å; N1073-L1077 PolarHBondContact O-N 3.03Å; L1074-L1077 WeakPolarHBondContact O-CB 3.48Å; L1074-L1077 PolarHBondContact O-N 3.14Å; L1077-K1079 PolarHBondContact O-N 2.79Å; L1077-S1080 WeakPolarHBondContact O-CB 3.34Å; L1077-S1080 PolarHBondContact O-N 3.41Å; L1077-V1081 HydrophobicContact CG-CG2 4.44Å; L1077-V1081 WeakPolarHBondContact O-CG2 3.37Å; L1077-V1081 PolarHBondContact O-N 3.2Å |
| 1078 | Y | 83.9 | Confident | 80.6 | Confident | 61 Ų | 61 | 83.8 Ų | 83.8 | 24% | 0.239 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 178.4 | 179.5 | -99.8 | 0 | 0 | 0 | 111.8 | S982 L985 N986 L1074 E1075 E1076 S1080 V1081 L1082 | S982-Y1078 WeakPolarHBondContact O-CE2 3.29Å; L985-Y1078 HydrophobicContact CD2-CD2 4.05Å; L985-Y1078 HydrophobicContact CD2-CG 4.43Å; L985-Y1078 HydrophobicContact CG-CD2 4.25Å; N986-Y1078 HydrophobicContact CB-CE2 4.05Å; N986-Y1078 PolarHBondContact ND2-OH 3Å; L1074-Y1078 WeakPolarHBondContact O-CB 3.44Å; L1074-Y1078 PolarHBondContact O-N 3.42Å; E1075-Y1078 PolarHBondContact O-N 3.13Å; E1076-Y1078 PolarHBondContact O-N 3.32Å; Y1078-S1080 VanDerWaalsContact C-N 3.33Å; Y1078-S1080 PolarHBondContact O-N 3.43Å; Y1078-V1081 PolarHBondContact O-N 3.23Å; Y1078-L1082 HydrophobicContact CE1-CD2 4.43Å; Y1078-L1082 VanDerWaalsContact O-CB 3.3Å; Y1078-L1082 WeakPolarHBondContact O-CB 3.41Å; Y1078-L1082 PolarHBondContact O-N 2.84Å |
| 1079 | K | 80.1 | Confident | 80 | Confident | 138 Ų | 138 | 81.4 Ų | 81.4 | 60% | 0.6 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -60.8 | -41.3 | 173.9 | -71.1 | 171.5 | -175.5 | 171 | 0 | 112.1 | E1075 E1076 L1077 N1083 | E1075-K1079 WeakPolarHBondContact O-CG 3.49Å; E1075-K1079 PolarHBondContact O-N 2.7Å; E1076-K1079 PolarHBondContact O-N 3.03Å; L1077-K1079 PolarHBondContact O-N 2.79Å; K1079-N1083 PolarHBondContact O-N 3.11Å |
| 1080 | S | 78.2 | Confident | 79.5 | Confident | 52 Ų | 52 | 82.6 Ų | 82.6 | 36% | 0.364 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.7 | -46 | 176.3 | 158.3 | 0 | 0 | 0 | 0 | 112.5 | E1076 L1077 Y1078 N1083 R1084 | E1076-S1080 WeakPolarHBondContact O-CB 3.38Å; E1076-S1080 PolarHBondContact O-N 3.07Å; L1077-S1080 WeakPolarHBondContact O-CB 3.34Å; L1077-S1080 PolarHBondContact O-N 3.41Å; Y1078-S1080 VanDerWaalsContact C-N 3.33Å; Y1078-S1080 PolarHBondContact O-N 3.43Å; S1080-N1083 PolarHBondContact O-N 2.73Å; S1080-R1084 PolarHBondContact O-N 3.42Å |
| 1081 | V | 77.3 | Confident | 78.5 | Confident | 28 Ų | 28 | 82 Ų | 82 | 17% | 0.17 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -67.7 | -41.6 | 179.8 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | L1077 Y1078 N1083 R1084 E1085 | L1077-V1081 HydrophobicContact CG-CG2 4.44Å; L1077-V1081 WeakPolarHBondContact O-CG2 3.37Å; L1077-V1081 PolarHBondContact O-N 3.2Å; Y1078-V1081 PolarHBondContact O-N 3.23Å; V1081-N1083 VanDerWaalsContact C-N 3.3Å; V1081-N1083 PolarHBondContact O-N 3.29Å; V1081-R1084 PolarHBondContact O-N 3.21Å; V1081-R1084 VanDerWaalsContact O-N 3.11Å; V1081-E1085 PolarHBondContact O-N 3.44Å |
| 1082 | L | 79.2 | Confident | 77.9 | Confident | 68 Ų | 68 | 86.1 Ų | 86.1 | 36% | 0.356 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.3 | -38.5 | 178.6 | -168.8 | 68.5 | 0 | 0 | 0 | 112.1 | Y1078 E1085 N1086 | Y1078-L1082 HydrophobicContact CE1-CD2 4.43Å; Y1078-L1082 VanDerWaalsContact O-CB 3.3Å; Y1078-L1082 WeakPolarHBondContact O-CB 3.41Å; Y1078-L1082 PolarHBondContact O-N 2.84Å; L1082-E1085 PolarHBondContact O-N 2.9Å; L1082-N1086 PolarHBondContact O-N 3.11Å; L1082-N1086 PolarHBondContact O-ND2 3.42Å |
| 1083 | N | 75.4 | Confident | 77.8 | Confident | 103 Ų | 103 | 91.1 Ų | 91.1 | 55% | 0.551 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -63.5 | -41.5 | 173.9 | -79.2 | -12.3 | 0 | 0 | 0 | 112.2 | K1079 S1080 V1081 N1086 E1087 | K1079-N1083 PolarHBondContact O-N 3.11Å; S1080-N1083 PolarHBondContact O-N 2.73Å; V1081-N1083 VanDerWaalsContact C-N 3.3Å; V1081-N1083 PolarHBondContact O-N 3.29Å; N1083-N1086 PolarHBondContact O-N 2.98Å; N1083-E1087 WeakPolarHBondContact O-CG 3.31Å; N1083-E1087 PolarHBondContact O-N 2.98Å |
| 1084 | R | 73.9 | Confident | 77.7 | Confident | 172 Ų | 172 | 90.5 Ų | 90.5 | 65% | 0.649 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -67.2 | -34.8 | 177.5 | -74.3 | 179 | 172.5 | 178.7 | 0.1 | 113.1 | S1080 V1081 E1087 R1088 | S1080-R1084 PolarHBondContact O-N 3.42Å; V1081-R1084 PolarHBondContact O-N 3.21Å; V1081-R1084 VanDerWaalsContact O-N 3.11Å; R1084-E1087 PolarHBondContact O-N 3.4Å; R1084-R1088 WeakPolarHBondContact O-CB 3.39Å; R1084-R1088 PolarHBondContact O-N 2.87Å |
| 1085 | E | 73.3 | Confident | 77.6 | Confident | 58 Ų | 58 | 91.2 Ų | 91.2 | 27% | 0.271 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -67 | -39.4 | 177.3 | -173.2 | 57.2 | -153.1 | 0 | 0 | 111.4 | V1081 L1082 E1087 R1088 V1089 | V1081-E1085 PolarHBondContact O-N 3.44Å; L1082-E1085 PolarHBondContact O-N 2.9Å; E1085-E1087 PolarHBondContact O-N 2.71Å; E1085-R1088 WeakPolarHBondContact O-CB 3.32Å; E1085-R1088 PolarHBondContact O-N 2.9Å; E1085-R1088 IonicContact OE1-CZ 3.16Å; E1085-R1088 VanDerWaalsContact OE1-CZ 3.27Å; E1085-R1088 IonicContact OE1-NE 3.26Å; E1085-R1088 PolarHBondContact OE1-NE 2.64Å; E1085-R1088 IonicContact OE1-NH2 3.48Å; E1085-R1088 PolarHBondContact OE1-NH2 3.16Å; E1085-R1088 IonicContact OE2-CZ 2.83Å; E1085-R1088 IonicContact OE2-NE 2.62Å; E1085-R1088 PolarHBondContact OE2-NE 3.13Å; E1085-R1088 IonicContact OE2-NH2 3.51Å; E1085-R1088 PolarHBondContact OE2-NH2 2.9Å; E1085-V1089 WeakPolarHBondContact O-CG2 3.47Å; E1085-V1089 PolarHBondContact O-N 3.44Å |
| 1086 | N | 76.2 | Confident | 77.7 | Confident | 88 Ų | 88 | 94.9 Ų | 94.9 | 47% | 0.471 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 173.2 | -69.5 | -31 | 0 | 0 | 0 | 111.8 | L1082 N1083 R1088 V1089 D1090 | L1082-N1086 PolarHBondContact O-N 3.11Å; L1082-N1086 PolarHBondContact O-ND2 3.42Å; N1083-N1086 PolarHBondContact O-N 2.98Å; N1086-R1088 VanDerWaalsContact C-N 3.29Å; N1086-R1088 PolarHBondContact O-N 3.3Å; N1086-V1089 PolarHBondContact O-N 3.41Å; N1086-D1090 WeakPolarHBondContact O-CB 3.39Å; N1086-D1090 PolarHBondContact O-N 3.35Å |
| 1087 | E | 71.1 | Confident | 77.9 | Confident | 134 Ų | 134 | 93.1 Ų | 93.1 | 63% | 0.626 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -59.8 | -39.3 | 174 | -70.1 | 176.1 | -179.9 | 0 | 0 | 112 | N1083 R1084 E1085 D1090 A1091 | N1083-E1087 WeakPolarHBondContact O-CG 3.31Å; N1083-E1087 PolarHBondContact O-N 2.98Å; R1084-E1087 PolarHBondContact O-N 3.4Å; E1085-E1087 PolarHBondContact O-N 2.71Å; E1087-D1090 PolarHBondContact O-N 3.14Å; E1087-A1091 VanDerWaalsContact O-CB 3.27Å; E1087-A1091 WeakPolarHBondContact O-CB 3.36Å; E1087-A1091 PolarHBondContact O-N 3.38Å |
| 1088 | R | 70.6 | Confident | 78.5 | Confident | 164 Ų | 164 | 96.4 Ų | 96.4 | 62% | 0.619 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -63.8 | -46 | 176.6 | -167.9 | -178.8 | 80.9 | 139.6 | 0.8 | 111.6 | R1084 E1085 N1086 A1091 Q1092 | R1084-R1088 WeakPolarHBondContact O-CB 3.39Å; R1084-R1088 PolarHBondContact O-N 2.87Å; E1085-R1088 WeakPolarHBondContact O-CB 3.32Å; E1085-R1088 PolarHBondContact O-N 2.9Å; E1085-R1088 IonicContact OE1-CZ 3.16Å; E1085-R1088 VanDerWaalsContact OE1-CZ 3.27Å; E1085-R1088 IonicContact OE1-NE 3.26Å; E1085-R1088 PolarHBondContact OE1-NE 2.64Å; E1085-R1088 IonicContact OE1-NH2 3.48Å; E1085-R1088 PolarHBondContact OE1-NH2 3.16Å; E1085-R1088 IonicContact OE2-CZ 2.83Å; E1085-R1088 IonicContact OE2-NE 2.62Å; E1085-R1088 PolarHBondContact OE2-NE 3.13Å; E1085-R1088 IonicContact OE2-NH2 3.51Å; E1085-R1088 PolarHBondContact OE2-NH2 2.9Å; N1086-R1088 VanDerWaalsContact C-N 3.29Å; N1086-R1088 PolarHBondContact O-N 3.3Å; R1088-A1091 PolarHBondContact O-N 2.96Å; R1088-Q1092 WeakPolarHBondContact O-CB 3.37Å; R1088-Q1092 PolarHBondContact O-N 3.29Å |
| 1089 | V | 76.1 | Confident | 78.7 | Confident | 49 Ų | 49 | 99 Ų | 99 | 30% | 0.297 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65 | -41.7 | 178.4 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | E1085 N1086 Q1092 R1093 | E1085-V1089 WeakPolarHBondContact O-CG2 3.47Å; E1085-V1089 PolarHBondContact O-N 3.44Å; N1086-V1089 PolarHBondContact O-N 3.41Å; V1089-Q1092 WeakPolarHBondContact O-CB 3.36Å; V1089-Q1092 PolarHBondContact O-N 2.87Å; V1089-R1093 PolarHBondContact O-N 2.88Å |
| 1090 | D | 77.3 | Confident | 79.2 | Confident | 93 Ų | 93 | 99.4 Ų | 99.4 | 50% | 0.497 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.6 | -41.2 | 177.3 | -77.6 | -18.1 | 0 | 0 | 0 | 112.2 | N1086 E1087 Q1092 R1093 L1094 | N1086-D1090 WeakPolarHBondContact O-CB 3.39Å; N1086-D1090 PolarHBondContact O-N 3.35Å; E1087-D1090 PolarHBondContact O-N 3.14Å; D1090-Q1092 VanDerWaalsContact C-N 3.27Å; D1090-Q1092 PolarHBondContact O-N 3.15Å; D1090-R1093 PolarHBondContact O-N 3.2Å; D1090-L1094 WeakPolarHBondContact O-CB 3.39Å; D1090-L1094 PolarHBondContact O-N 3.13Å |
| 1091 | A | 67.3 | Low | 79.8 | Confident | 57 Ų | 57 | 103.7 Ų | 103.7 | 47% | 0.471 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.6 | -39.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E1087 R1088 L1094 A1095 | E1087-A1091 VanDerWaalsContact O-CB 3.27Å; E1087-A1091 WeakPolarHBondContact O-CB 3.36Å; E1087-A1091 PolarHBondContact O-N 3.38Å; R1088-A1091 PolarHBondContact O-N 2.96Å; A1091-L1094 PolarHBondContact O-N 3.36Å; A1091-A1095 WeakPolarHBondContact O-CB 3.19Å; A1091-A1095 PolarHBondContact O-N 2.85Å |
| 1092 | Q | 75.4 | Confident | 80.4 | Confident | 100 Ų | 100 | 106.8 Ų | 106.8 | 47% | 0.467 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.7 | -40.8 | 176.7 | -157.9 | -170 | 36.7 | 0 | 0 | 112.1 | R1088 V1089 D1090 A1095 R1096 | R1088-Q1092 WeakPolarHBondContact O-CB 3.37Å; R1088-Q1092 PolarHBondContact O-N 3.29Å; V1089-Q1092 WeakPolarHBondContact O-CB 3.36Å; V1089-Q1092 PolarHBondContact O-N 2.87Å; D1090-Q1092 VanDerWaalsContact C-N 3.27Å; D1090-Q1092 PolarHBondContact O-N 3.15Å; Q1092-A1095 PolarHBondContact O-N 2.98Å; Q1092-R1096 VanDerWaalsContact CD-NH2 3.28Å; Q1092-R1096 VanDerWaalsContact NE2-NH2 3.16Å; Q1092-R1096 WeakPolarHBondContact O-CG 2.98Å; Q1092-R1096 PolarHBondContact O-N 3.34Å; Q1092-R1096 VanDerWaalsContact O-N 3.08Å |
| 1093 | R | 87.1 | Confident | 80.9 | Confident | 154 Ų | 154 | 107.1 Ų | 107.1 | 58% | 0.581 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.8 | -44.3 | 173 | -77.5 | 176.5 | 172.9 | 176.1 | -1.8 | 111.4 | V1089 D1090 R1096 L1097 | V1089-R1093 PolarHBondContact O-N 2.88Å; D1090-R1093 PolarHBondContact O-N 3.2Å; R1093-R1096 PolarHBondContact O-N 2.91Å; R1093-L1097 WeakPolarHBondContact O-CG 3.13Å; R1093-L1097 PolarHBondContact O-N 3.21Å |
| 1094 | L | 83.8 | Confident | 81.7 | Confident | 80 Ų | 80 | 107.8 Ų | 107.8 | 42% | 0.419 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.1 | -40.4 | 178.3 | -174.6 | 62.5 | 0 | 0 | 0 | 112.1 | D1090 A1091 L1097 R1098 | D1090-L1094 WeakPolarHBondContact O-CB 3.39Å; D1090-L1094 PolarHBondContact O-N 3.13Å; A1091-L1094 PolarHBondContact O-N 3.36Å; L1094-L1097 PolarHBondContact O-N 2.92Å; L1094-R1098 WeakPolarHBondContact O-CG 3.45Å; L1094-R1098 PolarHBondContact O-N 3.49Å |
| 1095 | A | 80.4 | Confident | 82.4 | Confident | 44 Ų | 44 | 105 Ų | 105 | 36% | 0.364 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1091 Q1092 L1097 R1098 L1099 | A1091-A1095 WeakPolarHBondContact O-CB 3.19Å; A1091-A1095 PolarHBondContact O-N 2.85Å; Q1092-A1095 PolarHBondContact O-N 2.98Å; A1095-L1097 VanDerWaalsContact C-N 3.33Å; A1095-L1097 PolarHBondContact O-N 3.38Å; A1095-R1098 PolarHBondContact O-N 3.17Å; A1095-L1099 WeakPolarHBondContact O-CG 3.23Å; A1095-L1099 PolarHBondContact O-N 2.85Å |
| 1096 | R | 86.8 | Confident | 83.1 | Confident | 135 Ų | 135 | 109.8 Ų | 109.8 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.5 | -38.8 | 175.5 | -71.3 | 178.2 | -179.4 | 118.7 | -2.4 | 112.5 | Q1092 R1093 R1100 | Q1092-R1096 VanDerWaalsContact CD-NH2 3.28Å; Q1092-R1096 VanDerWaalsContact NE2-NH2 3.16Å; Q1092-R1096 WeakPolarHBondContact O-CG 2.98Å; Q1092-R1096 PolarHBondContact O-N 3.34Å; Q1092-R1096 VanDerWaalsContact O-N 3.08Å; R1093-R1096 PolarHBondContact O-N 2.91Å; R1096-R1100 PolarHBondContact O-N 2.66Å; R1096-R1100 VanDerWaalsContact O-N 3.09Å |
| 1097 | L | 87.6 | Confident | 83.8 | Confident | 98 Ų | 98 | 111 Ų | 111 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.7 | -41.2 | 176.4 | -73.7 | 171 | 0 | 0 | 0 | 112.6 | R1093 L1094 A1095 R1100 K1101 | R1093-L1097 WeakPolarHBondContact O-CG 3.13Å; R1093-L1097 PolarHBondContact O-N 3.21Å; L1094-L1097 PolarHBondContact O-N 2.92Å; A1095-L1097 VanDerWaalsContact C-N 3.33Å; A1095-L1097 PolarHBondContact O-N 3.38Å; L1097-R1100 PolarHBondContact O-N 3.06Å; L1097-K1101 PolarHBondContact O-N 3.15Å; L1097-K1101 VanDerWaalsContact O-N 3.09Å |
| 1098 | R | 87.9 | Confident | 84.8 | Confident | 149 Ų | 149 | 107.4 Ų | 107.4 | 56% | 0.562 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.9 | -47.7 | 174.9 | -74.9 | 178.8 | -179.2 | 131.5 | -1.8 | 111.3 | L1094 A1095 R1100 K1101 D1102 | L1094-R1098 WeakPolarHBondContact O-CG 3.45Å; L1094-R1098 PolarHBondContact O-N 3.49Å; A1095-R1098 PolarHBondContact O-N 3.17Å; R1098-R1100 VanDerWaalsContact C-N 3.32Å; R1098-R1100 PolarHBondContact O-N 3.05Å; R1098-K1101 WeakPolarHBondContact O-CB 3.37Å; R1098-K1101 PolarHBondContact O-N 3.25Å; R1098-K1101 VanDerWaalsContact O-N 3.12Å; R1098-D1102 PolarHBondContact O-N 3.17Å |
| 1099 | L | 87.7 | Confident | 85.8 | Confident | 114 Ų | 114 | 103.9 Ų | 103.9 | 60% | 0.597 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.4 | -41 | 177.1 | -71.3 | 171.7 | 0 | 0 | 0 | 112.3 | A1095 K1101 D1102 V1103 | A1095-L1099 WeakPolarHBondContact O-CG 3.23Å; A1095-L1099 PolarHBondContact O-N 2.85Å; L1099-K1101 VanDerWaalsContact C-N 3.34Å; L1099-K1101 PolarHBondContact O-N 3.44Å; L1099-D1102 PolarHBondContact O-N 3.03Å; L1099-V1103 VanDerWaalsContact O-CG2 3.3Å; L1099-V1103 WeakPolarHBondContact O-CG2 3.41Å; L1099-V1103 PolarHBondContact O-N 3.42Å |
| 1100 | R | 90 | Very high | 86.5 | Confident | 147 Ų | 147 | 104.7 Ų | 104.7 | 56% | 0.555 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.6 | -42.8 | 175.6 | -171 | -178.8 | -63.3 | 145.5 | 0.2 | 112 | R1096 L1097 R1098 V1103 E1104 | R1096-R1100 PolarHBondContact O-N 2.66Å; R1096-R1100 VanDerWaalsContact O-N 3.09Å; L1097-R1100 PolarHBondContact O-N 3.06Å; R1098-R1100 VanDerWaalsContact C-N 3.32Å; R1098-R1100 PolarHBondContact O-N 3.05Å; R1100-V1103 PolarHBondContact O-N 3.48Å; R1100-E1104 PolarHBondContact O-N 3.34Å |
| 1101 | K | 91.8 | Very high | 87.2 | Confident | 142 Ų | 142 | 102.8 Ų | 102.8 | 62% | 0.617 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.5 | -39.6 | 177.8 | -171.4 | 178.4 | 179.4 | -178.9 | 0 | 112.2 | L1097 R1098 L1099 V1103 E1104 Q1105 | L1097-K1101 PolarHBondContact O-N 3.15Å; L1097-K1101 VanDerWaalsContact O-N 3.09Å; R1098-K1101 WeakPolarHBondContact O-CB 3.37Å; R1098-K1101 PolarHBondContact O-N 3.25Å; R1098-K1101 VanDerWaalsContact O-N 3.12Å; L1099-K1101 VanDerWaalsContact C-N 3.34Å; L1099-K1101 PolarHBondContact O-N 3.44Å; K1101-V1103 VanDerWaalsContact C-N 3.32Å; K1101-E1104 PolarHBondContact O-N 3.16Å; K1101-Q1105 WeakPolarHBondContact O-CB 3.26Å; K1101-Q1105 PolarHBondContact O-N 2.91Å |
| 1102 | D | 88.9 | Confident | 88.4 | Confident | 94 Ų | 94 | 103.7 Ų | 103.7 | 50% | 0.503 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.3 | -37.8 | 176.7 | -66 | -19.9 | 0 | 0 | 0 | 111.2 | R1098 L1099 Q1105 W1106 | R1098-D1102 PolarHBondContact O-N 3.17Å; L1099-D1102 PolarHBondContact O-N 3.03Å; D1102-Q1105 PolarHBondContact O-N 3.39Å; D1102-W1106 WeakPolarHBondContact O-CB 3.13Å; D1102-W1106 PolarHBondContact O-N 3.15Å |
| 1103 | V | 90.8 | Very high | 89.1 | Confident | 75 Ų | 75 | 103.3 Ų | 103.3 | 46% | 0.455 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.1 | -47.7 | 173.6 | 171.6 | 0 | 0 | 0 | 0 | 111.6 | L1099 R1100 K1101 Q1105 W1106 E1107 | L1099-V1103 VanDerWaalsContact O-CG2 3.3Å; L1099-V1103 WeakPolarHBondContact O-CG2 3.41Å; L1099-V1103 PolarHBondContact O-N 3.42Å; R1100-V1103 PolarHBondContact O-N 3.48Å; K1101-V1103 VanDerWaalsContact C-N 3.32Å; V1103-Q1105 VanDerWaalsContact C-N 3.28Å; V1103-Q1105 PolarHBondContact O-N 3.34Å; V1103-W1106 WeakPolarHBondContact O-CB 3.41Å; V1103-W1106 PolarHBondContact O-N 3.37Å; V1103-W1106 VanDerWaalsContact O-N 3.1Å; V1103-E1107 HydrophobicContact CG1-CG 4.45Å; V1103-E1107 WeakPolarHBondContact O-CG 3.22Å; V1103-E1107 PolarHBondContact O-N 3.42Å |
| 1104 | E | 91.2 | Very high | 89.3 | Confident | 116 Ų | 116 | 99.3 Ų | 99.3 | 54% | 0.542 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.6 | -40.2 | 176 | -75.7 | 173.4 | -169.1 | 0 | 0 | 111.9 | R1100 K1101 E1107 A1108 | R1100-E1104 PolarHBondContact O-N 3.34Å; K1101-E1104 PolarHBondContact O-N 3.16Å; E1104-E1107 PolarHBondContact O-N 3.44Å; E1104-A1108 WeakPolarHBondContact O-CB 3.48Å; E1104-A1108 PolarHBondContact O-N 2.89Å |
| 1105 | Q | 90 | Very high | 89.6 | Confident | 114 Ų | 114 | 103.8 Ų | 103.8 | 53% | 0.533 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.5 | -36.9 | 176.5 | -171.8 | 176.5 | -10.4 | 0 | 0 | 111.9 | K1101 D1102 V1103 A1108 N1109 | K1101-Q1105 WeakPolarHBondContact O-CB 3.26Å; K1101-Q1105 PolarHBondContact O-N 2.91Å; D1102-Q1105 PolarHBondContact O-N 3.39Å; V1103-Q1105 VanDerWaalsContact C-N 3.28Å; V1103-Q1105 PolarHBondContact O-N 3.34Å; Q1105-A1108 PolarHBondContact O-N 2.98Å; Q1105-N1109 WeakPolarHBondContact O-CB 3.34Å; Q1105-N1109 VanDerWaalsContact O-CG 3.24Å; Q1105-N1109 PolarHBondContact O-N 3.28Å; Q1105-N1109 PolarHBondContact O-ND2 3.45Å |
| 1106 | W | 86.9 | Confident | 90.1 | Very high | 159 Ų | 159 | 108 Ų | 108 | 60% | 0.602 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.1 | -44.5 | 174.5 | -178.8 | 82.6 | 0 | 0 | 0 | 111.7 | D1102 V1103 A1108 N1109 E1110 | D1102-W1106 WeakPolarHBondContact O-CB 3.13Å; D1102-W1106 PolarHBondContact O-N 3.15Å; V1103-W1106 WeakPolarHBondContact O-CB 3.41Å; V1103-W1106 PolarHBondContact O-N 3.37Å; V1103-W1106 VanDerWaalsContact O-N 3.1Å; W1106-A1108 PolarHBondContact O-N 3.46Å; W1106-N1109 PolarHBondContact O-N 3.16Å; W1106-E1110 HydrophobicContact CD2-CG 4.48Å; W1106-E1110 HydrophobicContact CH2-CG 4.42Å; W1106-E1110 HydrophobicContact CZ2-CG 4.06Å; W1106-E1110 PolarHBondContact O-N 3.46Å |
| 1107 | E | 91.8 | Very high | 90 | Very high | 113 Ų | 113 | 107.9 Ų | 107.9 | 53% | 0.528 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.9 | -42.4 | 175.1 | -72.1 | 179 | 168.6 | 0 | 0 | 112 | V1103 E1104 N1109 E1110 A1111 | V1103-E1107 HydrophobicContact CG1-CG 4.45Å; V1103-E1107 WeakPolarHBondContact O-CG 3.22Å; V1103-E1107 PolarHBondContact O-N 3.42Å; E1104-E1107 PolarHBondContact O-N 3.44Å; E1107-N1109 VanDerWaalsContact C-N 3.33Å; E1107-N1109 PolarHBondContact O-N 2.93Å; E1107-E1110 PolarHBondContact O-N 3.16Å; E1107-A1111 WeakPolarHBondContact O-CB 3.35Å; E1107-A1111 PolarHBondContact O-N 3.05Å |
| 1108 | A | 91.9 | Very high | 90 | Very high | 58 Ų | 58 | 108.5 Ų | 108.5 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.5 | -39.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E1104 Q1105 W1106 A1111 E1112 | E1104-A1108 WeakPolarHBondContact O-CB 3.48Å; E1104-A1108 PolarHBondContact O-N 2.89Å; Q1105-A1108 PolarHBondContact O-N 2.98Å; W1106-A1108 PolarHBondContact O-N 3.46Å; A1108-A1111 PolarHBondContact O-N 3.31Å; A1108-E1112 PolarHBondContact O-N 2.87Å |
| 1109 | N | 91.6 | Very high | 90 | Very high | 91 Ų | 91 | 108.5 Ų | 108.5 | 49% | 0.487 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.9 | -40.1 | 177 | -74.4 | -23.7 | 0 | 0 | 0 | 112.2 | Q1105 W1106 E1107 E1112 K1113 | Q1105-N1109 WeakPolarHBondContact O-CB 3.34Å; Q1105-N1109 VanDerWaalsContact O-CG 3.24Å; Q1105-N1109 PolarHBondContact O-N 3.28Å; Q1105-N1109 PolarHBondContact O-ND2 3.45Å; W1106-N1109 PolarHBondContact O-N 3.16Å; E1107-N1109 VanDerWaalsContact C-N 3.33Å; E1107-N1109 PolarHBondContact O-N 2.93Å; N1109-E1112 PolarHBondContact O-N 3.03Å; N1109-K1113 WeakPolarHBondContact O-CG 3.3Å; N1109-K1113 PolarHBondContact O-N 3.2Å |
| 1110 | E | 89.8 | Confident | 89.8 | Confident | 65 Ų | 65 | 108.9 Ų | 108.9 | 30% | 0.304 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.2 | -37.3 | 174.9 | -81.8 | -53.7 | 133.6 | 0 | 0 | 112.6 | W1106 E1107 E1112 K1113 S1114 | W1106-E1110 HydrophobicContact CD2-CG 4.48Å; W1106-E1110 HydrophobicContact CH2-CG 4.42Å; W1106-E1110 HydrophobicContact CZ2-CG 4.06Å; W1106-E1110 PolarHBondContact O-N 3.46Å; E1107-E1110 PolarHBondContact O-N 3.16Å; E1110-E1112 VanDerWaalsContact C-N 3.34Å; E1110-E1112 PolarHBondContact O-N 3.41Å; E1110-K1113 PolarHBondContact O-N 2.99Å; E1110-K1113 WeakPolarHBondContact OE1-CD 3.22Å; E1110-K1113 IonicContact OE1-NZ 3.84Å; E1110-K1113 PolarHBondContact OE1-NZ 3.12Å; E1110-S1114 WeakPolarHBondContact O-CB 3.14Å; E1110-S1114 PolarHBondContact O-N 3.01Å; E1110-S1114 PolarHBondContact O-OG 2.91Å |
| 1111 | A | 91.7 | Very high | 89.4 | Confident | 54 Ų | 54 | 106.4 Ų | 106.4 | 45% | 0.446 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.3 | -41.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1107 A1108 S1114 R1115 | E1107-A1111 WeakPolarHBondContact O-CB 3.35Å; E1107-A1111 PolarHBondContact O-N 3.05Å; A1108-A1111 PolarHBondContact O-N 3.31Å; A1111-S1114 WeakPolarHBondContact O-CB 2.97Å; A1111-S1114 PolarHBondContact O-N 3.49Å; A1111-R1115 WeakPolarHBondContact O-CG 3.43Å; A1111-R1115 PolarHBondContact O-N 3.26Å |
| 1112 | E | 92.4 | Very high | 88.8 | Confident | 76 Ų | 76 | 105.2 Ų | 105.2 | 36% | 0.355 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.9 | -36.8 | 178.1 | -175 | 57.4 | -158.5 | 0 | 0 | 112.5 | A1108 N1109 E1110 S1114 R1115 K1116 | A1108-E1112 PolarHBondContact O-N 2.87Å; N1109-E1112 PolarHBondContact O-N 3.03Å; E1110-E1112 VanDerWaalsContact C-N 3.34Å; E1110-E1112 PolarHBondContact O-N 3.41Å; E1112-S1114 VanDerWaalsContact C-N 3.31Å; E1112-S1114 PolarHBondContact O-N 2.94Å; E1112-R1115 PolarHBondContact O-N 3.44Å; E1112-R1115 IonicContact OE2-NH1 2.6Å; E1112-R1115 PolarHBondContact OE2-NH1 3.24Å; E1112-R1115 VanDerWaalsContact OE2-NH1 3.1Å; E1112-K1116 WeakPolarHBondContact O-CG 3.23Å; E1112-K1116 PolarHBondContact O-N 2.93Å; E1112-K1116 VanDerWaalsContact OE1-CE 3.29Å; E1112-K1116 WeakPolarHBondContact OE1-CE 3.42Å |
| 1113 | K | 90.6 | Very high | 88.5 | Confident | 92 Ų | 92 | 104.3 Ų | 104.3 | 40% | 0.4 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.7 | -43.6 | 170 | -78 | -178.5 | -168.7 | 166.1 | 0 | 111.5 | N1109 E1110 R1115 K1116 Q1117 | N1109-K1113 WeakPolarHBondContact O-CG 3.3Å; N1109-K1113 PolarHBondContact O-N 3.2Å; E1110-K1113 PolarHBondContact O-N 2.99Å; E1110-K1113 WeakPolarHBondContact OE1-CD 3.22Å; E1110-K1113 IonicContact OE1-NZ 3.84Å; E1110-K1113 PolarHBondContact OE1-NZ 3.12Å; K1113-R1115 PolarHBondContact O-N 2.9Å; K1113-K1116 PolarHBondContact O-N 3.4Å; K1113-Q1117 PolarHBondContact O-N 3.46Å |
| 1114 | S | 91.7 | Very high | 87.8 | Confident | 70 Ų | 70 | 105 Ų | 105 | 49% | 0.49 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 177.9 | -61.4 | 0 | 0 | 0 | 0 | 111.7 | E1110 A1111 E1112 Q1117 L1118 | E1110-S1114 WeakPolarHBondContact O-CB 3.14Å; E1110-S1114 PolarHBondContact O-N 3.01Å; E1110-S1114 PolarHBondContact O-OG 2.91Å; A1111-S1114 WeakPolarHBondContact O-CB 2.97Å; A1111-S1114 PolarHBondContact O-N 3.49Å; E1112-S1114 VanDerWaalsContact C-N 3.31Å; E1112-S1114 PolarHBondContact O-N 2.94Å; S1114-Q1117 PolarHBondContact O-N 3.37Å; S1114-L1118 PolarHBondContact O-N 3.19Å |
| 1115 | R | 90.4 | Very high | 87.1 | Confident | 173 Ų | 173 | 107.1 Ų | 107.1 | 65% | 0.653 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.4 | -41.1 | 174.6 | -71.9 | 176.3 | 83.1 | -143.2 | 11.9 | 112.5 | A1111 E1112 K1113 L1118 K1119 | A1111-R1115 WeakPolarHBondContact O-CG 3.43Å; A1111-R1115 PolarHBondContact O-N 3.26Å; E1112-R1115 PolarHBondContact O-N 3.44Å; E1112-R1115 IonicContact OE2-NH1 2.6Å; E1112-R1115 PolarHBondContact OE2-NH1 3.24Å; E1112-R1115 VanDerWaalsContact OE2-NH1 3.1Å; K1113-R1115 PolarHBondContact O-N 2.9Å; R1115-L1118 PolarHBondContact O-N 3.37Å; R1115-K1119 PolarHBondContact O-N 3.07Å |
| 1116 | K | 90.7 | Very high | 86.5 | Confident | 133 Ų | 133 | 107.2 Ų | 107.2 | 58% | 0.578 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.2 | -42.9 | 176.9 | -73.6 | 174.9 | -178.1 | 172.9 | 0 | 112.1 | E1112 K1113 K1119 M1120 | E1112-K1116 WeakPolarHBondContact O-CG 3.23Å; E1112-K1116 PolarHBondContact O-N 2.93Å; E1112-K1116 VanDerWaalsContact OE1-CE 3.29Å; E1112-K1116 WeakPolarHBondContact OE1-CE 3.42Å; K1113-K1116 PolarHBondContact O-N 3.4Å; K1116-K1119 PolarHBondContact O-N 3.39Å; K1116-M1120 WeakPolarHBondContact O-CB 3.38Å; K1116-M1120 PolarHBondContact O-N 2.87Å |
| 1117 | Q | 84.3 | Confident | 86 | Confident | 133 Ų | 133 | 104.2 Ų | 104.2 | 62% | 0.621 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.4 | -43.6 | 173.6 | -85.7 | -169.5 | 20.7 | 0 | 0 | 112 | K1113 S1114 K1119 M1120 N1121 | K1113-Q1117 PolarHBondContact O-N 3.46Å; S1114-Q1117 PolarHBondContact O-N 3.37Å; Q1117-K1119 VanDerWaalsContact C-N 3.28Å; Q1117-K1119 PolarHBondContact O-N 3.06Å; Q1117-M1120 PolarHBondContact O-N 2.96Å; Q1117-M1120 VanDerWaalsContact O-N 3.17Å; Q1117-N1121 WeakPolarHBondContact O-CB 3.27Å; Q1117-N1121 PolarHBondContact O-N 2.95Å |
| 1118 | L | 87 | Confident | 85.1 | Confident | 111 Ų | 111 | 104.5 Ų | 104.5 | 58% | 0.581 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.2 | -42.2 | 177.9 | -155.2 | 88.1 | 0 | 0 | 0 | 111.4 | S1114 R1115 N1121 Q1122 | S1114-L1118 PolarHBondContact O-N 3.19Å; R1115-L1118 PolarHBondContact O-N 3.37Å; L1118-N1121 PolarHBondContact O-N 3.35Å; L1118-Q1122 WeakPolarHBondContact O-CG 3.43Å; L1118-Q1122 PolarHBondContact O-N 3.28Å |
| 1119 | K | 88.8 | Confident | 84.3 | Confident | 149 Ų | 149 | 107.9 Ų | 107.9 | 65% | 0.648 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67.8 | -37 | 176.9 | -162.5 | 171 | -175.8 | 177.8 | 0 | 112.4 | R1115 K1116 Q1117 Q1122 T1123 | R1115-K1119 PolarHBondContact O-N 3.07Å; K1116-K1119 PolarHBondContact O-N 3.39Å; Q1117-K1119 VanDerWaalsContact C-N 3.28Å; Q1117-K1119 PolarHBondContact O-N 3.06Å; K1119-Q1122 PolarHBondContact O-N 2.9Å; K1119-T1123 WeakPolarHBondContact O-CG2 3.32Å; K1119-T1123 PolarHBondContact O-N 3.25Å; K1119-T1123 PolarHBondContact O-OG1 3.36Å |
| 1120 | M | 82.4 | Confident | 83.4 | Confident | 122 Ų | 122 | 109.1 Ų | 109.1 | 60% | 0.601 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.9 | -39.3 | 175.6 | -162.3 | 166.2 | -164.3 | 0 | 0 | 111.9 | K1116 Q1117 T1123 N1124 | K1116-M1120 WeakPolarHBondContact O-CB 3.38Å; K1116-M1120 PolarHBondContact O-N 2.87Å; Q1117-M1120 PolarHBondContact O-N 2.96Å; Q1117-M1120 VanDerWaalsContact O-N 3.17Å; M1120-T1123 WeakPolarHBondContact CA-OG1 3.29Å; M1120-T1123 PolarHBondContact O-N 3.45Å; M1120-T1123 PolarHBondContact O-OG1 2.7Å; M1120-N1124 WeakPolarHBondContact O-CB 3.46Å; M1120-N1124 PolarHBondContact O-N 3.34Å |
| 1121 | N | 81.7 | Confident | 82.4 | Confident | 94 Ų | 94 | 109 Ų | 109 | 50% | 0.503 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.3 | -36.2 | 175.5 | -71.3 | -20.5 | 0 | 0 | 0 | 112.3 | Q1117 L1118 K1125 | Q1117-N1121 WeakPolarHBondContact O-CB 3.27Å; Q1117-N1121 PolarHBondContact O-N 2.95Å; L1118-N1121 PolarHBondContact O-N 3.35Å; N1121-K1125 PolarHBondContact O-N 3.49Å; N1121-K1125 VanDerWaalsContact O-N 3.09Å |
| 1122 | Q | 80.7 | Confident | 81.3 | Confident | 118 Ų | 118 | 114.9 Ų | 114.9 | 55% | 0.551 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.4 | -43.4 | 173.2 | -79.2 | 177.1 | 1.2 | 0 | 0 | 112.4 | L1118 K1119 K1125 L1126 | L1118-Q1122 WeakPolarHBondContact O-CG 3.43Å; L1118-Q1122 PolarHBondContact O-N 3.28Å; K1119-Q1122 PolarHBondContact O-N 2.9Å; Q1122-K1125 PolarHBondContact O-N 2.88Å; Q1122-L1126 PolarHBondContact O-N 2.87Å; Q1122-L1126 VanDerWaalsContact O-N 3.17Å |
| 1123 | T | 81.2 | Confident | 80.1 | Confident | 74 Ų | 74 | 116.8 Ų | 116.8 | 45% | 0.454 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.8 | -40.9 | 177.5 | 46.1 | 0 | 0 | 0 | 0 | 112.1 | K1119 M1120 K1125 L1126 N1127 | K1119-T1123 WeakPolarHBondContact O-CG2 3.32Å; K1119-T1123 PolarHBondContact O-N 3.25Å; K1119-T1123 PolarHBondContact O-OG1 3.36Å; M1120-T1123 WeakPolarHBondContact CA-OG1 3.29Å; M1120-T1123 PolarHBondContact O-N 3.45Å; M1120-T1123 PolarHBondContact O-OG1 2.7Å; T1123-K1125 VanDerWaalsContact C-N 3.33Å; T1123-K1125 PolarHBondContact O-N 3.32Å; T1123-L1126 PolarHBondContact O-N 3.45Å; T1123-N1127 WeakPolarHBondContact O-CB 3.45Å; T1123-N1127 PolarHBondContact O-N 2.9Å |
| 1124 | N | 77 | Confident | 78.9 | Confident | 90 Ų | 90 | 118.1 Ų | 118.1 | 48% | 0.481 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.8 | -37.7 | 173.8 | -78.2 | -15.7 | 0 | 0 | 0 | 112.7 | M1120 N1127 N1128 | M1120-N1124 WeakPolarHBondContact O-CB 3.46Å; M1120-N1124 PolarHBondContact O-N 3.34Å; N1124-N1127 PolarHBondContact O-N 2.78Å; N1124-N1128 WeakPolarHBondContact O-CB 3.46Å; N1124-N1128 PolarHBondContact O-N 3.26Å |
| 1125 | K | 77.4 | Confident | 77.2 | Confident | 160 Ų | 160 | 120.5 Ų | 120.5 | 70% | 0.696 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -62 | -46.7 | 174.2 | -85.2 | -176.1 | 177.1 | -178.8 | 0 | 112 | N1121 Q1122 T1123 N1128 Q1129 | N1121-K1125 PolarHBondContact O-N 3.49Å; N1121-K1125 VanDerWaalsContact O-N 3.09Å; Q1122-K1125 PolarHBondContact O-N 2.88Å; T1123-K1125 VanDerWaalsContact C-N 3.33Å; T1123-K1125 PolarHBondContact O-N 3.32Å; K1125-N1128 PolarHBondContact O-N 3.45Å; K1125-Q1129 WeakPolarHBondContact O-CB 3.4Å; K1125-Q1129 PolarHBondContact O-N 3.3Å |
| 1126 | L | 76.4 | Confident | 75.7 | Confident | 117 Ų | 117 | 117.3 Ų | 117.3 | 61% | 0.613 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -60.4 | -46.5 | 177.1 | -77.6 | 171.1 | 0 | 0 | 0 | 111.8 | Q1122 T1123 N1128 Q1129 E1130 | Q1122-L1126 PolarHBondContact O-N 2.87Å; Q1122-L1126 VanDerWaalsContact O-N 3.17Å; T1123-L1126 PolarHBondContact O-N 3.45Å; L1126-N1128 VanDerWaalsContact C-N 3.33Å; L1126-N1128 PolarHBondContact O-N 3.39Å; L1126-Q1129 WeakPolarHBondContact O-CB 3.27Å; L1126-Q1129 PolarHBondContact O-N 3.11Å; L1126-Q1129 VanDerWaalsContact O-N 3.11Å; L1126-E1130 PolarHBondContact O-N 3.38Å |
| 1127 | N | 75.9 | Confident | 74.1 | Confident | 95 Ų | 95 | 113.7 Ų | 113.7 | 51% | 0.508 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66 | -36.3 | -177.4 | -148.3 | 20.2 | 0 | 0 | 0 | 112.3 | T1123 N1124 Q1129 E1130 S1131 | T1123-N1127 WeakPolarHBondContact O-CB 3.45Å; T1123-N1127 PolarHBondContact O-N 2.9Å; N1124-N1127 PolarHBondContact O-N 2.78Å; N1127-Q1129 VanDerWaalsContact C-N 3.32Å; N1127-E1130 PolarHBondContact O-N 3.45Å; N1127-S1131 WeakPolarHBondContact O-CB 3.47Å; N1127-S1131 PolarHBondContact O-N 3.27Å; N1127-S1131 PolarHBondContact O-OG 2.9Å |
| 1128 | N | 73.8 | Confident | 72.8 | Confident | 119 Ų | 119 | 112 Ų | 112 | 64% | 0.636 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -70 | -33.2 | 175.5 | -149.6 | 5.5 | 0 | 0 | 0 | 111.4 | N1124 K1125 L1126 S1131 R1132 | N1124-N1128 WeakPolarHBondContact O-CB 3.46Å; N1124-N1128 PolarHBondContact O-N 3.26Å; K1125-N1128 PolarHBondContact O-N 3.45Å; L1126-N1128 VanDerWaalsContact C-N 3.33Å; L1126-N1128 PolarHBondContact O-N 3.39Å; N1128-S1131 PolarHBondContact O-N 2.88Å; N1128-R1132 WeakPolarHBondContact O-CB 3.26Å; N1128-R1132 PolarHBondContact O-N 2.81Å |
| 1129 | Q | 75.3 | Confident | 70.9 | Confident | 129 Ų | 129 | 113.2 Ų | 113.2 | 60% | 0.603 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -69 | -40.8 | 175.8 | -148 | 146.2 | -26.3 | 0 | 0 | 111.7 | K1125 L1126 N1127 R1132 L1133 | K1125-Q1129 WeakPolarHBondContact O-CB 3.4Å; K1125-Q1129 PolarHBondContact O-N 3.3Å; L1126-Q1129 WeakPolarHBondContact O-CB 3.27Å; L1126-Q1129 PolarHBondContact O-N 3.11Å; L1126-Q1129 VanDerWaalsContact O-N 3.11Å; N1127-Q1129 VanDerWaalsContact C-N 3.32Å; Q1129-R1132 PolarHBondContact O-N 2.78Å; Q1129-L1133 PolarHBondContact O-N 3.43Å |
| 1130 | E | 72.7 | Confident | 69.2 | Low | 118 Ų | 118 | 113.9 Ų | 113.9 | 55% | 0.551 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -63.7 | -43.6 | 171.5 | -74.8 | -179.3 | 165.8 | 0 | 0 | 112.1 | L1126 N1127 R1132 L1133 N1134 | L1126-E1130 PolarHBondContact O-N 3.38Å; N1127-E1130 PolarHBondContact O-N 3.45Å; E1130-R1132 VanDerWaalsContact C-N 3.27Å; E1130-R1132 PolarHBondContact O-N 2.68Å; E1130-L1133 PolarHBondContact O-N 3.39Å; E1130-L1133 VanDerWaalsContact O-N 3.17Å; E1130-N1134 PolarHBondContact O-N 3.47Å |
| 1131 | S | 68.4 | Low | 67.7 | Low | 63 Ų | 63 | 113.6 Ų | 113.6 | 44% | 0.441 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -60 | -38.6 | 176.8 | -59.8 | 0 | 0 | 0 | 0 | 111.9 | N1127 N1128 N1134 L1135 | N1127-S1131 WeakPolarHBondContact O-CB 3.47Å; N1127-S1131 PolarHBondContact O-N 3.27Å; N1127-S1131 PolarHBondContact O-OG 2.9Å; N1128-S1131 PolarHBondContact O-N 2.88Å; S1131-N1134 PolarHBondContact O-N 3.16Å; S1131-L1135 PolarHBondContact O-N 3.04Å |
| 1132 | R | 68.3 | Low | 66.3 | Low | 176 Ų | 176 | 114.3 Ų | 114.3 | 66% | 0.664 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.6 | -36.5 | 177.2 | -136.7 | 174.2 | 72.2 | 96.4 | 1.7 | 112.6 | N1128 Q1129 E1130 L1136 | N1128-R1132 WeakPolarHBondContact O-CB 3.26Å; N1128-R1132 PolarHBondContact O-N 2.81Å; Q1129-R1132 PolarHBondContact O-N 2.78Å; E1130-R1132 VanDerWaalsContact C-N 3.27Å; E1130-R1132 PolarHBondContact O-N 2.68Å; R1132-L1136 PolarHBondContact O-N 2.74Å |
| 1133 | L | 66.8 | Low | 65.1 | Low | 117 Ų | 117 | 115.1 Ų | 115.1 | 61% | 0.613 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.3 | -40.4 | 174.6 | -71.8 | 174.5 | 0 | 0 | 0 | 111.7 | Q1129 E1130 L1135 L1136 A1137 | Q1129-L1133 PolarHBondContact O-N 3.43Å; E1130-L1133 PolarHBondContact O-N 3.39Å; E1130-L1133 VanDerWaalsContact O-N 3.17Å; L1133-L1135 PolarHBondContact O-N 2.96Å; L1133-L1136 PolarHBondContact O-N 3.43Å; L1133-A1137 PolarHBondContact O-N 3.48Å; L1133-A1137 VanDerWaalsContact O-N 3.08Å |
| 1134 | N | 65.9 | Low | 64.1 | Low | 119 Ų | 119 | 114.9 Ų | 114.9 | 64% | 0.636 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.6 | -37.7 | 175.2 | -82.7 | -19.7 | 0 | 0 | 0 | 112.7 | E1130 S1131 L1136 A1137 S1138 | E1130-N1134 PolarHBondContact O-N 3.47Å; S1131-N1134 PolarHBondContact O-N 3.16Å; N1134-L1136 VanDerWaalsContact C-N 3.34Å; N1134-L1136 PolarHBondContact O-N 3.28Å; N1134-A1137 PolarHBondContact O-N 3.41Å; N1134-S1138 PolarHBondContact O-N 2.61Å |
| 1135 | L | 56.8 | Low | 63.5 | Low | 121 Ų | 121 | 118.2 Ų | 118.2 | 63% | 0.634 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -64.2 | -39.8 | 176.2 | -157.7 | 88.1 | 0 | 0 | 0 | 111.8 | S1131 L1133 S1138 L1139 | S1131-L1135 PolarHBondContact O-N 3.04Å; L1133-L1135 PolarHBondContact O-N 2.96Å; L1135-S1138 PolarHBondContact O-N 3.11Å; L1135-L1139 PolarHBondContact O-N 3.46Å |
| 1136 | L | 57.9 | Low | 62.9 | Low | 106 Ų | 106 | 114.2 Ų | 114.2 | 56% | 0.555 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.4 | -36.4 | 176.1 | -76.6 | 168.8 | 0 | 0 | 0 | 112.1 | R1132 L1133 N1134 | R1132-L1136 PolarHBondContact O-N 2.74Å; L1133-L1136 PolarHBondContact O-N 3.43Å; N1134-L1136 VanDerWaalsContact C-N 3.34Å; N1134-L1136 PolarHBondContact O-N 3.28Å |
| 1137 | A | 57.5 | Low | 62.5 | Low | 57 Ų | 57 | 117.3 Ų | 117.3 | 47% | 0.471 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -67.7 | -35.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1133 N1134 L1139 Q1140 | L1133-A1137 PolarHBondContact O-N 3.48Å; L1133-A1137 VanDerWaalsContact O-N 3.08Å; N1134-A1137 PolarHBondContact O-N 3.41Å; A1137-L1139 VanDerWaalsContact C-N 3.29Å; A1137-L1139 PolarHBondContact O-N 3.47Å; A1137-Q1140 PolarHBondContact O-N 2.9Å |
| 1138 | S | 56.1 | Low | 62.2 | Low | 98 Ų | 98 | 115.6 Ų | 115.6 | 69% | 0.685 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -72.4 | -20.2 | -178 | -143.3 | 0 | 0 | 0 | 0 | 113.8 | N1134 L1135 Q1140 | N1134-S1138 PolarHBondContact O-N 2.61Å; L1135-S1138 PolarHBondContact O-N 3.11Å; S1138-Q1140 VanDerWaalsContact C-N 3.35Å |
| 1139 | L | 47.7 | Very low | 62.3 | Low | 136 Ų | 136 | 116.6 Ų | 116.6 | 71% | 0.712 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -10.8 | 174.5 | -70.2 | 173 | 0 | 0 | 0 | 113.4 | L1135 A1137 T1141 | L1135-L1139 PolarHBondContact O-N 3.46Å; A1137-L1139 VanDerWaalsContact C-N 3.29Å; A1137-L1139 PolarHBondContact O-N 3.47Å; L1139-T1141 VanDerWaalsContact C-N 3.29Å; L1139-T1141 PolarHBondContact O-N 3.25Å |
| 1140 | Q | 52.9 | Low | 62.3 | Low | 163 Ų | 163 | 117.1 Ų | 117.1 | 76% | 0.762 | 60% | 0.603 | S | S | * | * | trans | -80.9 | 78.6 | 168 | -99.1 | 174.5 | -43 | 0 | 0 | 109.5 | A1137 S1138 D1142 | A1137-Q1140 PolarHBondContact O-N 2.9Å; S1138-Q1140 VanDerWaalsContact C-N 3.35Å; Q1140-D1142 PolarHBondContact O-N 3.2Å | ||
| 1141 | T | 52.1 | Low | 62.6 | Low | 116 Ų | 116 | 116.8 Ų | 116.8 | 71% | 0.712 | 60% | 0.601 | S | S | * | * | trans | -71.2 | 110.5 | 165.1 | 49.7 | 0 | 0 | 0 | 0 | 108.2 | L1139 L1143 | L1139-T1141 VanDerWaalsContact C-N 3.29Å; L1139-T1141 PolarHBondContact O-N 3.25Å; T1141-L1143 PolarHBondContact O-N 3.45Å | ||
| 1142 | D | 51.9 | Low | 63.1 | Low | 109 Ų | 109 | 116.9 Ų | 116.9 | 58% | 0.583 | 60% | 0.602 | S | S | * | * | trans | -70.2 | 91.3 | -174.1 | -150.8 | -18.8 | 0 | 0 | 0 | 109.3 | Q1140 S1144 K1145 | Q1140-D1142 PolarHBondContact O-N 3.2Å; D1142-S1144 PolarHBondContact O-N 3.29Å; D1142-S1144 PolarHBondContact OD1-OG 3.28Å; D1142-K1145 HydrophobicContact CB-CB 4.44Å; D1142-K1145 WeakPolarHBondContact O-CB 3.42Å; D1142-K1145 PolarHBondContact O-N 2.85Å | ||
| 1143 | L | 55.2 | Low | 63.5 | Low | 135 Ų | 135 | 117.6 Ų | 117.6 | 71% | 0.707 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -51.1 | -22 | -179.8 | -132 | 78.4 | 0 | 0 | 0 | 112.6 | T1141 R1147 | T1141-L1143 PolarHBondContact O-N 3.45Å; L1143-R1147 WeakPolarHBondContact O-CB 3.41Å; L1143-R1147 PolarHBondContact O-N 3.04Å |
| 1144 | S | 60 | Low | 63.8 | Low | 69 Ų | 69 | 120.6 Ų | 120.6 | 48% | 0.483 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -67.3 | -39.6 | 174.9 | 69 | 0 | 0 | 0 | 0 | 112.9 | D1142 R1147 A1148 | D1142-S1144 PolarHBondContact O-N 3.29Å; D1142-S1144 PolarHBondContact OD1-OG 3.28Å; S1144-R1147 PolarHBondContact O-N 3.08Å; S1144-A1148 PolarHBondContact O-N 2.98Å |
| 1145 | K | 63.7 | Low | 64 | Low | 160 Ų | 160 | 118.5 Ų | 118.5 | 70% | 0.696 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -71.9 | -42.6 | -178.1 | -160.2 | 176.2 | -176.1 | -178.3 | 0 | 111.4 | D1142 R1147 A1148 E1149 | D1142-K1145 HydrophobicContact CB-CB 4.44Å; D1142-K1145 WeakPolarHBondContact O-CB 3.42Å; D1142-K1145 PolarHBondContact O-N 2.85Å; K1145-R1147 VanDerWaalsContact C-N 3.3Å; K1145-R1147 PolarHBondContact O-N 3.11Å; K1145-A1148 PolarHBondContact O-N 3.01Å; K1145-E1149 WeakPolarHBondContact O-CB 3.34Å; K1145-E1149 PolarHBondContact O-N 2.94Å |
| 1146 | D | 66.1 | Low | 64.7 | Low | 76 Ų | 76 | 118.9 Ų | 118.9 | 41% | 0.406 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66.1 | -32.2 | 174 | -175.4 | 59.3 | 0 | 0 | 0 | 111.9 | R1150 | D1146-R1150 WeakPolarHBondContact O-CG 3.22Å; D1146-R1150 PolarHBondContact O-N 2.8Å; D1146-R1150 IonicContact OD2-CZ 3.58Å; D1146-R1150 IonicContact OD2-NE 3.21Å; D1146-R1150 IonicContact OD2-NH1 3.15Å; D1146-R1150 IonicContact OD2-NH2 3.8Å; D1146-R1150 PolarHBondContact OD2-NH2 3.08Å |
| 1147 | R | 66.5 | Low | 64.8 | Low | 181 Ų | 181 | 119 Ų | 119 | 68% | 0.683 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -69 | -41.3 | 170.9 | -177.5 | 173.6 | -86.6 | 165.6 | -5.1 | 112.6 | L1143 S1144 K1145 H1151 | L1143-R1147 WeakPolarHBondContact O-CB 3.41Å; L1143-R1147 PolarHBondContact O-N 3.04Å; S1144-R1147 PolarHBondContact O-N 3.08Å; K1145-R1147 VanDerWaalsContact C-N 3.3Å; K1145-R1147 PolarHBondContact O-N 3.11Å; R1147-H1151 PolarHBondContact O-N 3.45Å |
| 1148 | A | 71.1 | Confident | 64.9 | Low | 60 Ų | 60 | 123 Ų | 123 | 50% | 0.496 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.8 | -39.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S1144 K1145 H1151 S1152 | S1144-A1148 PolarHBondContact O-N 2.98Å; K1145-A1148 PolarHBondContact O-N 3.01Å; A1148-H1151 WeakPolarHBondContact O-CB 3.4Å; A1148-H1151 PolarHBondContact O-N 3.3Å; A1148-H1151 VanDerWaalsContact O-N 3.1Å; A1148-S1152 PolarHBondContact O-N 2.9Å |
| 1149 | E | 76.1 | Confident | 64.9 | Low | 139 Ų | 139 | 121.5 Ų | 121.5 | 65% | 0.65 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -67.1 | -39 | -179.6 | -153.7 | 167 | -155 | 0 | 0 | 111.8 | K1145 H1151 S1152 R1153 | K1145-E1149 WeakPolarHBondContact O-CB 3.34Å; K1145-E1149 PolarHBondContact O-N 2.94Å; E1149-H1151 VanDerWaalsContact C-N 3.29Å; E1149-H1151 PolarHBondContact O-N 3.43Å; E1149-S1152 PolarHBondContact O-N 3.19Å; E1149-R1153 PolarHBondContact O-N 3.37Å |
| 1150 | R | 75.4 | Confident | 65.3 | Low | 140 Ų | 140 | 122.1 Ų | 122.1 | 53% | 0.528 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62 | -34 | 170.2 | -72.2 | -166.4 | -136 | 95.8 | -8.1 | 113.2 | D1146 R1154 | D1146-R1150 WeakPolarHBondContact O-CG 3.22Å; D1146-R1150 PolarHBondContact O-N 2.8Å; D1146-R1150 IonicContact OD2-CZ 3.58Å; D1146-R1150 IonicContact OD2-NE 3.21Å; D1146-R1150 IonicContact OD2-NH1 3.15Å; D1146-R1150 IonicContact OD2-NH2 3.8Å; D1146-R1150 PolarHBondContact OD2-NH2 3.08Å; R1150-R1154 WeakPolarHBondContact O-CG 3.14Å; R1150-R1154 PolarHBondContact O-N 3.08Å |
| 1151 | H | 77.8 | Confident | 64.8 | Low | 111 Ų | 111 | 120.9 Ų | 120.9 | 51% | 0.514 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -71.1 | -45 | 177.4 | -165.9 | -79.7 | 0 | 0 | 0 | 111.4 | R1147 A1148 E1149 R1153 R1154 E1155 | R1147-H1151 PolarHBondContact O-N 3.45Å; A1148-H1151 WeakPolarHBondContact O-CB 3.4Å; A1148-H1151 PolarHBondContact O-N 3.3Å; A1148-H1151 VanDerWaalsContact O-N 3.1Å; E1149-H1151 VanDerWaalsContact C-N 3.29Å; E1149-H1151 PolarHBondContact O-N 3.43Å; H1151-R1153 VanDerWaalsContact C-N 3.27Å; H1151-R1153 PolarHBondContact O-N 2.86Å; H1151-R1154 WeakPolarHBondContact O-CB 3.35Å; H1151-R1154 PolarHBondContact O-N 3.01Å; H1151-E1155 IonicContact CE1-OE1 2.77Å; H1151-E1155 PolarHBondContact O-N 3.43Å; H1151-E1155 VanDerWaalsContact O-N 3.11Å |
| 1152 | S | 78.8 | Confident | 64.2 | Low | 66 Ų | 66 | 122.6 Ų | 122.6 | 46% | 0.462 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -60.2 | -38.6 | 177.3 | -160.8 | 0 | 0 | 0 | 0 | 111.9 | A1148 E1149 R1154 E1155 Q1156 | A1148-S1152 PolarHBondContact O-N 2.9Å; E1149-S1152 PolarHBondContact O-N 3.19Å; S1152-R1154 VanDerWaalsContact C-N 3.3Å; S1152-R1154 PolarHBondContact O-N 2.97Å; S1152-E1155 PolarHBondContact O-N 2.91Å; S1152-Q1156 PolarHBondContact O-N 3.06Å |
| 1153 | R | 77.6 | Confident | 63.4 | Low | 190 Ų | 190 | 122 Ų | 122 | 72% | 0.717 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67.4 | -28.1 | 175.8 | -160 | 159.2 | -172.2 | 139.4 | 0.5 | 113.6 | E1149 H1151 L1157 | E1149-R1153 PolarHBondContact O-N 3.37Å; H1151-R1153 VanDerWaalsContact C-N 3.27Å; H1151-R1153 PolarHBondContact O-N 2.86Å; R1153-L1157 WeakPolarHBondContact O-CG 3.46Å; R1153-L1157 PolarHBondContact O-N 3.08Å |
| 1154 | R | 73.2 | Confident | 62.2 | Low | 181 Ų | 181 | 122.3 Ų | 122.3 | 68% | 0.683 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -73.4 | -35.9 | 172.2 | -75.4 | 177.1 | 173.5 | -141.2 | -2.3 | 112.3 | R1150 H1151 S1152 L1157 R1158 | R1150-R1154 WeakPolarHBondContact O-CG 3.14Å; R1150-R1154 PolarHBondContact O-N 3.08Å; H1151-R1154 WeakPolarHBondContact O-CB 3.35Å; H1151-R1154 PolarHBondContact O-N 3.01Å; S1152-R1154 VanDerWaalsContact C-N 3.3Å; S1152-R1154 PolarHBondContact O-N 2.97Å; R1154-L1157 PolarHBondContact O-N 3.07Å; R1154-R1158 PolarHBondContact O-N 3.43Å |
| 1155 | E | 70.7 | Confident | 60.9 | Low | 74 Ų | 74 | 126.1 Ų | 126.1 | 35% | 0.346 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -68.2 | -39.8 | 175.3 | -71.4 | -57.2 | 146 | 0 | 0 | 112.1 | H1151 S1152 L1157 R1158 A1159 | H1151-E1155 IonicContact CE1-OE1 2.77Å; H1151-E1155 PolarHBondContact O-N 3.43Å; H1151-E1155 VanDerWaalsContact O-N 3.11Å; S1152-E1155 PolarHBondContact O-N 2.91Å; E1155-L1157 VanDerWaalsContact C-N 3.29Å; E1155-L1157 PolarHBondContact O-N 3.15Å; E1155-R1158 PolarHBondContact O-N 3.28Å; E1155-R1158 VanDerWaalsContact O-N 3.1Å; E1155-R1158 IonicContact OE1-CZ 3.41Å; E1155-R1158 IonicContact OE1-NH1 2.69Å; E1155-R1158 PolarHBondContact OE1-NH1 3.02Å; E1155-R1158 IonicContact OE1-NH2 2.89Å; E1155-R1158 PolarHBondContact OE1-NH2 3.33Å; E1155-R1158 IonicContact OE2-CZ 3.67Å; E1155-R1158 IonicContact OE2-NH1 2.92Å; E1155-R1158 PolarHBondContact OE2-NH1 3Å; E1155-A1159 PolarHBondContact O-N 3.5Å |
| 1156 | Q | 69.7 | Low | 59.4 | Low | 129 Ų | 129 | 126.8 Ų | 126.8 | 60% | 0.603 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -63.1 | -35.3 | 176.3 | -74.2 | 179.3 | -2.9 | 0 | 0 | 112.8 | S1152 A1159 Q1160 | S1152-Q1156 PolarHBondContact O-N 3.06Å; Q1156-A1159 PolarHBondContact O-N 2.91Å; Q1156-Q1160 PolarHBondContact O-N 3.17Å |
| 1157 | L | 60.4 | Low | 57.5 | Low | 108 Ų | 108 | 127.3 Ų | 127.3 | 57% | 0.565 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68.3 | -38.1 | 173.3 | -71.4 | 170.5 | 0 | 0 | 0 | 111.5 | R1153 R1154 E1155 A1159 Q1160 D1161 | R1153-L1157 WeakPolarHBondContact O-CG 3.46Å; R1153-L1157 PolarHBondContact O-N 3.08Å; R1154-L1157 PolarHBondContact O-N 3.07Å; E1155-L1157 VanDerWaalsContact C-N 3.29Å; E1155-L1157 PolarHBondContact O-N 3.15Å; L1157-A1159 VanDerWaalsContact C-N 3.28Å; L1157-A1159 PolarHBondContact O-N 2.94Å; L1157-Q1160 PolarHBondContact O-N 3.06Å; L1157-D1161 PolarHBondContact O-N 2.57Å |
| 1158 | R | 59.9 | Low | 55.7 | Low | 142 Ų | 142 | 129.1 Ų | 129.1 | 54% | 0.536 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -66.5 | -31.3 | 176.5 | -140.9 | -175.1 | -65.5 | 134.8 | 6.7 | 112.6 | R1154 E1155 | R1154-R1158 PolarHBondContact O-N 3.43Å; E1155-R1158 PolarHBondContact O-N 3.28Å; E1155-R1158 VanDerWaalsContact O-N 3.1Å; E1155-R1158 IonicContact OE1-CZ 3.41Å; E1155-R1158 IonicContact OE1-NH1 2.69Å; E1155-R1158 PolarHBondContact OE1-NH1 3.02Å; E1155-R1158 IonicContact OE1-NH2 2.89Å; E1155-R1158 PolarHBondContact OE1-NH2 3.33Å; E1155-R1158 IonicContact OE2-CZ 3.67Å; E1155-R1158 IonicContact OE2-NH1 2.92Å; E1155-R1158 PolarHBondContact OE2-NH1 3Å |
| 1159 | A | 56.8 | Low | 53.6 | Low | 67 Ų | 67 | 132.2 Ų | 132.2 | 55% | 0.554 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -75.2 | -21.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | E1155 Q1156 L1157 | E1155-A1159 PolarHBondContact O-N 3.5Å; Q1156-A1159 PolarHBondContact O-N 2.91Å; L1157-A1159 VanDerWaalsContact C-N 3.28Å; L1157-A1159 PolarHBondContact O-N 2.94Å |
| 1160 | Q | 54.6 | Low | 51.4 | Low | 149 Ų | 149 | 130.1 Ų | 130.1 | 70% | 0.696 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -82.8 | -25.1 | 175 | -76.7 | -162.3 | -10.4 | 0 | 0 | 113.7 | Q1156 L1157 L1162 | Q1156-Q1160 PolarHBondContact O-N 3.17Å; L1157-Q1160 PolarHBondContact O-N 3.06Å; Q1160-L1162 PolarHBondContact O-N 3.12Å |
| 1161 | D | 42.8 | Very low | 49 | Very low | 137 Ų | 137 | 131.1 Ų | 131.1 | 73% | 0.733 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -78 | -3.5 | 176 | -75.4 | -24.5 | 0 | 0 | 0 | 113.5 | L1157 T1163 | L1157-D1161 PolarHBondContact O-N 2.57Å; D1161-T1163 PolarHBondContact O-N 2.98Å |
| 1162 | L | 39.8 | Very low | 46.5 | Very low | 151 Ų | 151 | 130 Ų | 130 | 79% | 0.791 | 66% | 0.659 | S | S | * | * | trans | -88.7 | 65.1 | 165.8 | -68.5 | 166.8 | 0 | 0 | 0 | 108.8 | Q1160 | Q1160-L1162 PolarHBondContact O-N 3.12Š| ||
| 1163 | T | 34.3 | Very low | 44.1 | Very low | 98 Ų | 98 | 133.4 Ų | 133.4 | 60% | 0.601 | 67% | 0.672 | S | S | * | * | trans | -70.8 | 130.6 | 164.4 | 55 | 0 | 0 | 0 | 0 | 109 | D1161 | D1161-T1163 PolarHBondContact O-N 2.98Š| ||
| 1164 | N | 31.3 | Very low | 41.6 | Very low | 140 Ų | 140 | 131.4 Ų | 131.4 | 75% | 0.749 | 68% | 0.675 | S | S | * | * | trans | 66.2 | 91.1 | 154.1 | -45.7 | -33.7 | 0 | 0 | 0 | 116 | ||||
| 1165 | D | 33 | Very low | 39.3 | Very low | 150 Ų | 150 | 127.8 Ų | 127.8 | 80% | 0.802 | 68% | 0.678 | S | S | * | * | trans | -155.8 | 121.1 | 148 | -86.3 | -36.4 | 0 | 0 | 0 | 110.2 | ||||
| 1166 | E | 30.8 | Very low | 37.2 | Very low | 174 Ų | 174 | 132.6 Ų | 132.6 | 81% | 0.813 | 70% | 0.7 | S | S | * | * | trans | 61.3 | 107 | 143.5 | -52.3 | -174.6 | 161 | 0 | 0 | 117.9 | ||||
| 1167 | A | 26.3 | Very low | 35 | Very low | 87 Ų | 87 | 131.3 Ų | 131.3 | 72% | 0.719 | 71% | 0.706 | S | S | * | * | 58.8 | 137 | 63.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1168 | Y | 30.3 | Very low | 33.4 | Very low | 218 Ų | 218 | 132.5 Ų | 132.5 | 86% | 0.855 | 71% | 0.713 | S | S | * | * | trans | 78.8 | 138.4 | 175.7 | -86.5 | -114.9 | 0 | 0 | 0 | 115.9 | ||||
| 1169 | E | 27 | Very low | 31.7 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 59% | 0.589 | 72% | 0.717 | S | S | * | * | cis | 176.5 | 162.6 | -7 | -119.6 | -69.1 | 167.9 | 0 | 0 | 104.7 | ||||
| 1170 | S | 28.9 | Very low | 30.3 | Very low | 95 Ų | 95 | 135.6 Ų | 135.6 | 66% | 0.664 | 72% | 0.722 | S | S | * | * | trans | 70.2 | 147.9 | 148.8 | -55.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 1171 | E | 25 | Very low | 29.1 | Very low | 161 Ų | 161 | 134.7 Ų | 134.7 | 75% | 0.752 | 72% | 0.722 | S | S | * | * | cis | 173.8 | 137 | -26.2 | -117.2 | -176.9 | 179.7 | 0 | 0 | 104.2 | ||||
| 1172 | S | 24.6 | Very low | 28.3 | Very low | 87 Ų | 87 | 135.4 Ų | 135.4 | 61% | 0.608 | 72% | 0.724 | S | S | * | * | trans | 63.1 | 152.3 | 139.9 | 76.2 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1173 | N | 29.9 | Very low | 27.8 | Very low | 137 Ų | 137 | 137.7 Ų | 137.7 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | trans | 102.4 | 86.1 | 153.2 | -54.5 | -31.8 | 0 | 0 | 0 | 118.7 | ||||
| 1174 | D | 24.4 | Very low | 27.5 | Very low | 148 Ų | 148 | 142.2 Ų | 142.2 | 79% | 0.791 | 73% | 0.728 | S | S | * | * | 36.3 | 132.9 | 101.9 | -72.4 | -22.1 | 0 | 0 | 0 | 121.8 | |||||
| 1175 | S | 25.8 | Very low | 27.5 | Very low | 105 Ų | 105 | 143.7 Ų | 143.7 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | trans | 90.2 | 152 | 134.7 | -62.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1176 | E | 26 | Very low | 27.3 | Very low | 175 Ų | 175 | 141 Ų | 141 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | trans | 87.3 | 106 | 162.5 | -54.2 | -174.8 | 170.1 | 0 | 0 | 115.5 | ||||
| 1177 | S | 24.2 | Very low | 27.1 | Very low | 103 Ų | 103 | 139.6 Ų | 139.6 | 72% | 0.72 | 72% | 0.722 | S | S | * | * | 69.8 | 141.8 | 64.9 | 89.6 | 0 | 0 | 0 | 0 | 114 | |||||
| 1178 | N | 24.9 | Very low | 27.3 | Very low | 132 Ų | 132 | 142.8 Ų | 142.8 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | trans | 98.2 | 121 | 162 | -101.9 | 1.7 | 0 | 0 | 0 | 120.5 | ||||
| 1179 | E | 24.7 | Very low | 27.2 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | 108.6 | 121.1 | 121.6 | -82.3 | 175.2 | 179.1 | 0 | 0 | 122 | |||||
| 1180 | Q | 28.1 | Very low | 27.4 | Very low | 139 Ų | 139 | 136.6 Ų | 136.6 | 65% | 0.65 | 73% | 0.726 | S | S | * | * | trans | 76.6 | 107 | 132.3 | -67.2 | 172.9 | 24.2 | 0 | 0 | 119.6 | ||||
| 1181 | N | 30.1 | Very low | 27.3 | Very low | 129 Ų | 129 | 141.4 Ų | 141.4 | 69% | 0.69 | 74% | 0.735 | S | S | * | * | 170.7 | 114.8 | 95.8 | -95.8 | -51.9 | 0 | 0 | 0 | 114.2 | |||||
| 1182 | I | 24.9 | Very low | 27.3 | Very low | 153 Ų | 153 | 139 Ų | 139 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | 20.5 | 123.6 | 127.9 | -54.9 | 168.3 | 0 | 0 | 0 | 117.5 | |||||
| 1183 | R | 29 | Very low | 27.3 | Very low | 198 Ų | 198 | 141.9 Ų | 141.9 | 75% | 0.747 | 74% | 0.743 | S | S | * | * | 177.4 | 107.1 | 113.6 | -162 | 170 | -172.3 | -152.8 | 1.2 | 114.5 | |||||
| 1184 | R | 29.1 | Very low | 26.8 | Very low | 194 Ų | 194 | 140.6 Ų | 140.6 | 73% | 0.732 | 74% | 0.74 | S | S | * | * | trans | 71.1 | 132.8 | 135.7 | -65 | 178.1 | -172.3 | -163.3 | -3.4 | 123.1 | ||||
| 1185 | Q | 31.3 | Very low | 26.8 | Very low | 171 Ų | 171 | 140 Ų | 140 | 80% | 0.799 | 74% | 0.742 | S | S | * | * | trans | 93.9 | 90.9 | 146.4 | -74.2 | 176.4 | 7.6 | 0 | 0 | 120.5 | ||||
| 1186 | S | 27.7 | Very low | 26.5 | Very low | 93 Ų | 93 | 140.5 Ų | 140.5 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | -2.4 | 155.6 | 124.6 | 58.8 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 1187 | N | 27.6 | Very low | 26.3 | Very low | 145 Ų | 145 | 140.5 Ų | 140.5 | 78% | 0.775 | 74% | 0.743 | S | S | * | * | cis | -174.2 | 156.5 | -5.9 | -100.2 | -13.6 | 0 | 0 | 0 | 106.4 | ||||
| 1188 | N | 29.8 | Very low | 26.3 | Very low | 154 Ų | 154 | 141.2 Ų | 141.2 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | trans | 84.9 | 110.2 | 155.1 | -64.3 | -8.3 | 0 | 0 | 0 | 120.4 | ||||
| 1189 | S | 28 | Very low | 26.6 | Very low | 107 Ų | 107 | 141 Ų | 141 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | trans | -57.7 | -179 | 165 | 66.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1190 | P | 32.3 | Very low | 26.5 | Very low | 106 Ų | 106 | 142 Ų | 142 | 69% | 0.688 | 76% | 0.761 | S | S | * | * | cis | -149 | 165.4 | 14.7 | 38 | -15 | 0 | 0 | 0 | 119.1 | ||||
| 1191 | K | 25.6 | Very low | 26.5 | Very low | 196 Ų | 196 | 141.5 Ų | 141.5 | 85% | 0.852 | 77% | 0.768 | S | S | * | * | trans | 48.4 | 126.4 | 138.3 | -64.6 | 176.5 | 179.3 | 178.2 | 0 | 123.9 | ||||
| 1192 | S | 24.5 | Very low | 26.2 | Very low | 111 Ų | 111 | 145.1 Ų | 145.1 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | 81.2 | 142.9 | 147.5 | 93.2 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1193 | I | 24.6 | Very low | 26.3 | Very low | 147 Ų | 147 | 143.9 Ų | 143.9 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | cis | -164.9 | 150.2 | 6.1 | -132.6 | 165.3 | 0 | 0 | 0 | 108.9 | ||||
| 1194 | T | 20.5 | Very low | 26.1 | Very low | 110 Ų | 110 | 140.3 Ų | 140.3 | 68% | 0.675 | 78% | 0.783 | S | S | * | * | trans | 57.5 | 122.6 | 153.7 | -48.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1195 | V | 23.3 | Very low | 25.9 | Very low | 137 Ų | 137 | 135.9 Ų | 135.9 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | -165.8 | 134 | 108.7 | 172.3 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1196 | T | 21 | Very low | 25.5 | Very low | 114 Ų | 114 | 136.4 Ų | 136.4 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | trans | -46.1 | 132.8 | 171.2 | -29.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 1197 | M | 21.7 | Very low | 25.5 | Very low | 175 Ų | 175 | 140.9 Ų | 140.9 | 86% | 0.862 | 79% | 0.794 | S | S | * | * | trans | -158.4 | 103.2 | 148.5 | -77.3 | -54.4 | -167.2 | 0 | 0 | 108.4 | ||||
| 1198 | S | 24.3 | Very low | 25.5 | Very low | 118 Ų | 118 | 141.9 Ų | 141.9 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -139.4 | 99.3 | 166.9 | -66 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1199 | T | 29.9 | Very low | 25.4 | Very low | 128 Ų | 128 | 142.8 Ų | 142.8 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -88.4 | 139 | 178.8 | 46.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1200 | D | 23.1 | Very low | 25.4 | Very low | 156 Ų | 156 | 143.7 Ų | 143.7 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | trans | -58.4 | 122 | -169.2 | -61.8 | -67.4 | 0 | 0 | 0 | 115.9 | ||||
| 1201 | T | 27.6 | Very low | 25.2 | Very low | 130 Ų | 130 | 146.7 Ų | 146.7 | 80% | 0.798 | 80% | 0.803 | S | S | * | * | trans | -118.8 | 96.7 | 165.4 | 51 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1202 | K | 24.6 | Very low | 25.4 | Very low | 205 Ų | 205 | 142.4 Ų | 142.4 | 89% | 0.891 | 79% | 0.79 | S | S | * | * | trans | -92.7 | 93.2 | 169.4 | -83.5 | 178.9 | 177 | 172.2 | 0 | 109.5 | ||||
| 1203 | T | 27.5 | Very low | 25.8 | Very low | 126 Ų | 126 | 141.6 Ų | 141.6 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -102 | 97.7 | 167.1 | 52.2 | 0 | 0 | 0 | 0 | 108.7 | S1205 | T1203-S1205 PolarHBondContact O-N 3.28Å; T1203-S1205 VanDerWaalsContact O-N 3.1Å | ||
| 1204 | S | 25.1 | Very low | 25.8 | Very low | 124 Ų | 124 | 144.3 Ų | 144.3 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | trans | -76.2 | 91.8 | 172.7 | 56.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1205 | S | 24.6 | Very low | 26.3 | Very low | 101 Ų | 101 | 145.9 Ų | 145.9 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | -79 | 123.6 | 170.6 | 180 | 0 | 0 | 0 | 0 | 110.2 | T1203 K1207 | T1203-S1205 PolarHBondContact O-N 3.28Å; T1203-S1205 VanDerWaalsContact O-N 3.1Å; S1205-K1207 PolarHBondContact O-N 3.02Å | ||
| 1206 | M | 21.5 | Very low | 26.6 | Very low | 182 Ų | 182 | 142.6 Ų | 142.6 | 90% | 0.897 | 77% | 0.774 | S | S | * | * | trans | -51.8 | 123.1 | 165.7 | -61.7 | -114 | 103.2 | 0 | 0 | 110.3 | ||||
| 1207 | K | 28.8 | Very low | 26.9 | Very low | 187 Ų | 187 | 145 Ų | 145 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | trans | -125.6 | 118.5 | 166.3 | -89.2 | -175.1 | 176.9 | 178.9 | 0 | 108.9 | S1205 I1209 | S1205-K1207 PolarHBondContact O-N 3.02Å; K1207-I1209 PolarHBondContact O-N 3.13Å | ||
| 1208 | N | 27.1 | Very low | 27.2 | Very low | 165 Ų | 165 | 140 Ų | 140 | 88% | 0.882 | 76% | 0.761 | S | S | * | * | trans | -22.3 | 108.2 | 167.4 | -70.1 | -35.5 | 0 | 0 | 0 | 114.7 | N1210 | N1208-N1210 PolarHBondContact O-N 2.95Š| ||
| 1209 | I | 28.2 | Very low | 27.5 | Very low | 174 Ų | 174 | 138.3 Ų | 138.3 | 89% | 0.892 | 75% | 0.75 | S | S | * | * | trans | -83.8 | 93.5 | 157.3 | -71.1 | 171.4 | 0 | 0 | 0 | 106.1 | K1207 | K1207-I1209 PolarHBondContact O-N 3.13Š| ||
| 1210 | N | 28.2 | Very low | 27.3 | Very low | 125 Ų | 125 | 142.4 Ų | 142.4 | 67% | 0.668 | 75% | 0.75 | S | S | * | * | trans | -69 | 144.1 | 169.3 | -164 | -1.2 | 0 | 0 | 0 | 109.5 | N1208 N1212 | N1208-N1210 PolarHBondContact O-N 2.95Å; N1210-N1212 PolarHBondContact O-N 3.11Å | ||
| 1211 | Q | 27.1 | Very low | 27.4 | Very low | 169 Ų | 169 | 141.4 Ų | 141.4 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -56 | 101.3 | 178.4 | -65.8 | 173.7 | -15.7 | 0 | 0 | 110.7 | ||
| 1212 | N | 29.3 | Very low | 27.4 | Very low | 107 Ų | 107 | 140.7 Ų | 140.7 | 57% | 0.572 | 74% | 0.744 | S | S | * | * | trans | -143.5 | 10.8 | 167.7 | -92.6 | -20.7 | 0 | 0 | 0 | 113.4 | N1210 Y1214 Q1215 | N1210-N1212 PolarHBondContact O-N 3.11Å; N1212-Y1214 PolarHBondContact O-N 3.18Å; N1212-Q1215 PolarHBondContact O-N 3.04Å | ||
| 1213 | S | 33.6 | Very low | 27.4 | Very low | 94 Ų | 94 | 135 Ų | 135 | 66% | 0.657 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -69.3 | -18.7 | 177.1 | 53.2 | 0 | 0 | 0 | 0 | 113.7 | Q1215 | S1213-Q1215 VanDerWaalsContact C-N 3.33Å |
| 1214 | Y | 25.3 | Very low | 27.3 | Very low | 204 Ų | 204 | 134.5 Ų | 134.5 | 80% | 0.8 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -74.1 | -24.3 | 172.9 | -72.3 | -76.4 | 0 | 0 | 0 | 113 | N1212 A1218 | N1212-Y1214 PolarHBondContact O-N 3.18Å; Y1214-A1218 PolarHBondContact O-N 3.47Å |
| 1215 | Q | 31.1 | Very low | 27.3 | Very low | 142 Ų | 142 | 132.2 Ų | 132.2 | 66% | 0.664 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -88.1 | -16.9 | -177.6 | -151.2 | 164.9 | 6.5 | 0 | 0 | 113.3 | N1212 S1213 S1219 | N1212-Q1215 PolarHBondContact O-N 3.04Å; S1213-Q1215 VanDerWaalsContact C-N 3.33Å; Q1215-S1219 PolarHBondContact O-OG 3.25Å |
| 1216 | A | 29.6 | Very low | 27.3 | Very low | 69 Ų | 69 | 132.7 Ų | 132.7 | 57% | 0.57 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -80.3 | -18.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 1217 | F | 26.6 | Very low | 27.5 | Very low | 163 Ų | 163 | 130 Ų | 130 | 72% | 0.715 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -89.2 | -36 | 176.5 | -157.5 | -98.8 | 0 | 0 | 0 | 112.1 | S1219 | F1217-S1219 VanDerWaalsContact C-N 3.29Å; F1217-S1219 PolarHBondContact O-N 3.37Å |
| 1218 | A | 28.8 | Very low | 27.2 | Very low | 70 Ų | 70 | 130.4 Ų | 130.4 | 58% | 0.579 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -72.5 | -16.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y1214 | Y1214-A1218 PolarHBondContact O-N 3.47Å |
| 1219 | S | 29.6 | Very low | 27.1 | Very low | 84 Ų | 84 | 130 Ų | 130 | 59% | 0.587 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -0 | -179.5 | 37.9 | 0 | 0 | 0 | 0 | 114.4 | Q1215 F1217 | Q1215-S1219 PolarHBondContact O-OG 3.25Å; F1217-S1219 VanDerWaalsContact C-N 3.29Å; F1217-S1219 PolarHBondContact O-N 3.37Å |
| 1220 | R | 26.7 | Very low | 26.8 | Very low | 213 Ų | 213 | 127.2 Ų | 127.2 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -100.6 | -4 | 174.7 | -74.4 | -170.9 | 177.5 | -159.7 | -0.7 | 115.1 | ||
| 1221 | I | 24.9 | Very low | 26.5 | Very low | 136 Ų | 136 | 128.4 Ų | 128.4 | 70% | 0.697 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | 2.2 | -179.9 | -59.3 | -175.8 | 0 | 0 | 0 | 112.7 | ||
| 1222 | S | 26.4 | Very low | 26.3 | Very low | 114 Ų | 114 | 124.5 Ų | 124.5 | 80% | 0.797 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.4 | 15.1 | 179.7 | -59.3 | 0 | 0 | 0 | 0 | 116 | ||
| 1223 | A | 25.3 | Very low | 26 | Very low | 87 Ų | 87 | 130.4 Ų | 130.4 | 72% | 0.719 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -152.5 | 74.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1224 | S | 25.8 | Very low | 25.5 | Very low | 114 Ų | 114 | 135.9 Ų | 135.9 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | trans | -169.3 | 92.9 | 147.1 | 57.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1225 | G | 24.7 | Very low | 25.3 | Very low | 77 Ų | 77 | 133.7 Ų | 133.7 | 79% | 0.794 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 135 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 1226 | S | 24.7 | Very low | 24.8 | Very low | 110 Ų | 110 | 131.5 Ų | 131.5 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 130.7 | 174.6 | 45.1 | 0 | 0 | 0 | 0 | 112.5 | ||
| 1227 | P | 25.5 | Very low | 24.5 | Very low | 125 Ų | 125 | 137.1 Ų | 137.1 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 128.3 | 177 | 32 | -30.4 | 0 | 0 | 0 | 110.6 | ||
| 1228 | K | 23.3 | Very low | 24.4 | Very low | 196 Ų | 196 | 136.4 Ų | 136.4 | 85% | 0.852 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 138.6 | 173.8 | -75.4 | 170.9 | 173 | 171.6 | 0 | 110.5 | ||
| 1229 | I | 24.8 | Very low | 24.2 | Very low | 158 Ų | 158 | 140 Ų | 140 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 132.9 | 162.2 | -60.3 | 163.2 | 0 | 0 | 0 | 107.7 | ||
| 1230 | P | 22.5 | Very low | 23.9 | Very low | 114 Ų | 114 | 143.3 Ų | 143.3 | 74% | 0.74 | 79% | 0.785 | S | S | * | * | trans | -145.3 | 113.3 | 146.3 | 30.9 | -10.8 | 0 | 0 | 0 | 115.1 | ||||
| 1231 | I | 21.8 | Very low | 23.8 | Very low | 150 Ų | 150 | 138.7 Ų | 138.7 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | 2.6 | 118.3 | 135.5 | -61.2 | 166.8 | 0 | 0 | 0 | 119.8 | ||||
| 1232 | S | 22.9 | Very low | 23.6 | Very low | 88 Ų | 88 | 141.3 Ų | 141.3 | 62% | 0.615 | 79% | 0.789 | S | S | * | * | 94.8 | 145 | 126.5 | 86.6 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 1233 | R | 23.2 | Very low | 23.6 | Very low | 230 Ų | 230 | 144 Ų | 144 | 87% | 0.868 | 79% | 0.793 | S | S | * | * | trans | 100.4 | 91.3 | 147 | -71.1 | 176.4 | -162.6 | 172.3 | 5.3 | 118.2 | ||||
| 1234 | F | 21.3 | Very low | 23.3 | Very low | 210 Ų | 210 | 151.1 Ų | 151.1 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | -28.9 | 129.1 | 128 | -76.2 | -93.4 | 0 | 0 | 0 | 113.2 | |||||
| 1235 | N | 22.5 | Very low | 23.1 | Very low | 158 Ų | 158 | 157.5 Ų | 157.5 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | trans | -141.2 | 136.2 | 136.4 | -145.9 | 5.4 | 0 | 0 | 0 | 109.5 | ||||
| 1236 | S | 21 | Very low | 23 | Very low | 95 Ų | 95 | 158.4 Ų | 158.4 | 66% | 0.664 | 80% | 0.802 | S | S | * | * | trans | -70.2 | 136 | -177.5 | 38.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1237 | E | 23.1 | Very low | 23 | Very low | 188 Ų | 188 | 162.9 Ų | 162.9 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | 178.5 | 103.4 | 122.4 | -99.3 | -179.9 | -167.6 | 0 | 0 | 109 | |||||
| 1238 | D | 24.7 | Very low | 22.8 | Very low | 148 Ų | 148 | 164.3 Ų | 164.3 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | -153.3 | 128.9 | 141.2 | -115.2 | -14 | 0 | 0 | 0 | 111.1 | ||||
| 1239 | L | 22.6 | Very low | 22.9 | Very low | 144 Ų | 144 | 165.5 Ų | 165.5 | 75% | 0.754 | 81% | 0.811 | S | S | * | * | trans | 80.1 | 80.8 | 142 | -60.5 | 160.7 | 0 | 0 | 0 | 119.4 | ||||
| 1240 | I | 24.1 | Very low | 22.8 | Very low | 154 Ų | 154 | 164 Ų | 164 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | -51 | 141 | 143.2 | -62.5 | 161.4 | 0 | 0 | 0 | 111.5 | ||||
| 1241 | P | 23.8 | Very low | 22.7 | Very low | 117 Ų | 117 | 162.7 Ų | 162.7 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | -129.3 | 105.2 | 136.6 | 20.7 | -0.7 | 0 | 0 | 0 | 112.3 | ||||
| 1242 | K | 22.5 | Very low | 22.7 | Very low | 191 Ų | 191 | 160.2 Ų | 160.2 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | trans | 30.1 | 107.2 | 133.1 | -62.9 | 175.5 | 180 | 172.1 | 0 | 117.8 | ||||
| 1243 | I | 24.9 | Very low | 23 | Very low | 171 Ų | 171 | 166.3 Ų | 166.3 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | trans | -126.7 | 114.5 | 140 | -65.5 | 178.3 | 0 | 0 | 0 | 108.8 | ||||
| 1244 | R | 20.2 | Very low | 23 | Very low | 236 Ų | 236 | 162 Ų | 162 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | trans | -57.3 | 137.9 | 168.3 | -87.8 | 172.6 | 162.8 | 168.2 | -5.8 | 110.7 | ||||
| 1245 | R | 21.9 | Very low | 23 | Very low | 248 Ų | 248 | 157.6 Ų | 157.6 | 94% | 0.936 | 79% | 0.794 | S | S | * | * | -159.1 | 120 | 128.6 | -105 | 168.6 | -165.9 | 178 | 4.4 | 110.1 | |||||
| 1246 | S | 22 | Very low | 23.3 | Very low | 96 Ų | 96 | 155.4 Ų | 155.4 | 67% | 0.671 | 79% | 0.791 | S | S | * | * | trans | -76.3 | 138 | 176.8 | 47.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1247 | F | 24.1 | Very low | 23.3 | Very low | 204 Ų | 204 | 157.4 Ų | 157.4 | 90% | 0.895 | 79% | 0.793 | S | S | * | * | trans | -158.6 | 91.2 | 143.2 | -84.5 | -72.4 | 0 | 0 | 0 | 105.4 | ||||
| 1248 | M | 21.1 | Very low | 23.3 | Very low | 155 Ų | 155 | 155.8 Ų | 155.8 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | 45 | 97.7 | 93.8 | -74.9 | -151.9 | 74.6 | 0 | 0 | 114.7 | |||||
| 1249 | F | 25.9 | Very low | 23.8 | Very low | 221 Ų | 221 | 154 Ų | 154 | 97% | 0.969 | 79% | 0.786 | S | S | * | * | -150.6 | 143.8 | 119.5 | -101.9 | -73.3 | 0 | 0 | 0 | 109.5 | |||||
| 1250 | D | 22.7 | Very low | 23.8 | Very low | 127 Ų | 127 | 158.5 Ų | 158.5 | 68% | 0.679 | 79% | 0.793 | S | S | * | * | trans | -114.3 | 158.1 | -153.3 | -174.4 | 13.8 | 0 | 0 | 0 | 111.3 | ||||
| 1251 | S | 20.4 | Very low | 24.1 | Very low | 86 Ų | 86 | 157 Ų | 157 | 60% | 0.601 | 79% | 0.793 | S | S | * | * | trans | 56.2 | 107.1 | 146.4 | -83.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1252 | S | 22.3 | Very low | 24.2 | Very low | 98 Ų | 98 | 157.2 Ų | 157.2 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | 42.1 | 110.9 | 116.3 | 68.1 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 1253 | K | 28.3 | Very low | 24.4 | Very low | 215 Ų | 215 | 151.8 Ų | 151.8 | 94% | 0.935 | 80% | 0.796 | S | S | * | * | trans | -119.5 | 129.8 | 147.1 | -85.4 | -175.9 | 178.4 | 177 | 0 | 110.7 | ||||
| 1254 | N | 23.5 | Very low | 24.5 | Very low | 139 Ų | 139 | 147.2 Ų | 147.2 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | trans | -70.1 | 147.4 | -179 | -77.8 | -39.6 | 0 | 0 | 0 | 113.6 | ||||
| 1255 | V | 20.9 | Very low | 24.9 | Very low | 118 Ų | 118 | 142.2 Ų | 142.2 | 72% | 0.715 | 79% | 0.787 | S | S | * | * | 41.7 | 113.5 | 125.6 | -171.1 | 0 | 0 | 0 | 0 | 118.7 | I1257 | V1255-I1257 HydrophobicContact CG1-CD1 4.46Å; V1255-I1257 HydrophobicContact CG1-CG1 4.34Å | |||
| 1256 | S | 28.9 | Very low | 25.1 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | -162 | 105.8 | 150.1 | -21.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1257 | I | 20.7 | Very low | 25.4 | Very low | 137 Ų | 137 | 138.7 Ų | 138.7 | 70% | 0.703 | 79% | 0.791 | S | S | * | * | 67.2 | 107.5 | 73.8 | -63.7 | -177.2 | 0 | 0 | 0 | 114 | V1255 | V1255-I1257 HydrophobicContact CG1-CD1 4.46Å; V1255-I1257 HydrophobicContact CG1-CG1 4.34Å | |||
| 1258 | L | 23.9 | Very low | 25.6 | Very low | 154 Ų | 154 | 137.6 Ų | 137.6 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | trans | 78.1 | 160.2 | 147.7 | -66.1 | 171 | 0 | 0 | 0 | 120 | ||||
| 1259 | P | 35.3 | Very low | 25.7 | Very low | 111 Ų | 111 | 136 Ų | 136 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | -139.2 | 175.7 | -66.4 | 37.5 | -17.7 | 0 | 0 | 0 | 114.3 | |||||
| 1260 | R | 23.2 | Very low | 25.8 | Very low | 238 Ų | 238 | 131.9 Ų | 131.9 | 90% | 0.898 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 136.8 | 172.6 | -167.4 | 177.8 | -165.4 | -157 | 3.7 | 113.1 | ||
| 1261 | P | 29.5 | Very low | 25.9 | Very low | 122 Ų | 122 | 130.7 Ų | 130.7 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 141.3 | 164.2 | 27.2 | -19.4 | 0 | 0 | 0 | 111.7 | ||
| 1262 | S | 25.1 | Very low | 26.2 | Very low | 122 Ų | 122 | 132.9 Ų | 132.9 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 140.6 | 172.3 | 57.3 | 0 | 0 | 0 | 0 | 111.5 | ||
| 1263 | G | 27.7 | Very low | 26.3 | Very low | 76 Ų | 76 | 134.4 Ų | 134.4 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | trans | -172.9 | 109.9 | 159.2 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 1264 | G | 27.4 | Very low | 26 | Very low | 75 Ų | 75 | 128.3 Ų | 128.3 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | 80 | 116.8 | 74.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 1265 | T | 28.5 | Very low | 25.9 | Very low | 132 Ų | 132 | 129.4 Ų | 129.4 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | cis | -159.4 | 156.8 | 17.3 | 41.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1266 | P | 25.9 | Very low | 26.1 | Very low | 125 Ų | 125 | 130 Ų | 130 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | trans | -102 | 135.3 | 170.7 | 34.9 | -24.9 | 0 | 0 | 0 | 111.2 | ||||
| 1267 | V | 29.1 | Very low | 25.8 | Very low | 144 Ų | 144 | 130.2 Ų | 130.2 | 87% | 0.873 | 78% | 0.78 | S | S | * | * | trans | -129.6 | 131.2 | 163.9 | -177.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1268 | K | 26.6 | Very low | 26.3 | Very low | 182 Ų | 182 | 130.9 Ų | 130.9 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | -83.3 | 149.3 | -166.8 | -162.7 | 178 | -174.1 | -178.6 | 0 | 111.2 | ||||
| 1269 | P | 24.1 | Very low | 26.3 | Very low | 120 Ų | 120 | 129.7 Ų | 129.7 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | trans | -84.9 | 135.2 | 174.1 | 32.7 | -30.5 | 0 | 0 | 0 | 111.1 | ||||
| 1270 | T | 27.8 | Very low | 26.2 | Very low | 136 Ų | 136 | 133.2 Ų | 133.2 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | trans | -128.9 | 141 | 166.3 | 47.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 1271 | S | 25.5 | Very low | 26.2 | Very low | 102 Ų | 102 | 128.9 Ų | 128.9 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | trans | -58.1 | 156.3 | -166.8 | 43.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1272 | P | 25 | Very low | 26.3 | Very low | 131 Ų | 131 | 129.7 Ų | 129.7 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | trans | -80.8 | 133.3 | 171.1 | 33.7 | -30 | 0 | 0 | 0 | 110.6 | ||||
| 1273 | T | 25.6 | Very low | 26.1 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -115.4 | 140.4 | 170 | -50.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1274 | S | 22.1 | Very low | 26.1 | Very low | 87 Ų | 87 | 137 Ų | 137 | 61% | 0.608 | 79% | 0.787 | S | S | * | * | trans | -69 | 164.4 | -170.3 | 61.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1275 | L | 22.2 | Very low | 26.1 | Very low | 161 Ų | 161 | 136.4 Ų | 136.4 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | 65.1 | 126.2 | 148 | -93.8 | 82.1 | 0 | 0 | 0 | 116.9 | ||||
| 1276 | N | 23.4 | Very low | 26 | Very low | 130 Ų | 130 | 137.4 Ų | 137.4 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | 166.2 | 134.3 | 98.4 | -162 | 12.8 | 0 | 0 | 0 | 111.8 | |||||
| 1277 | N | 23.8 | Very low | 25.9 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | trans | 21.5 | 133 | 150.8 | -69.3 | -14.5 | 0 | 0 | 0 | 121.7 | ||||
| 1278 | N | 29.9 | Very low | 26 | Very low | 150 Ų | 150 | 139.3 Ų | 139.3 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | -173.6 | 109.5 | 114.1 | -85.3 | -28.4 | 0 | 0 | 0 | 108.4 | |||||
| 1279 | N | 24.6 | Very low | 25.8 | Very low | 129 Ų | 129 | 135.2 Ų | 135.2 | 69% | 0.69 | 77% | 0.767 | S | S | * | * | 57.1 | 106.7 | 87.7 | -84.7 | -11.5 | 0 | 0 | 0 | 114.7 | |||||
| 1280 | H | 32.8 | Very low | 25.8 | Very low | 186 Ų | 186 | 139.1 Ų | 139.1 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | trans | -172.9 | 96.6 | 136.7 | -85.1 | -54.8 | 0 | 0 | 0 | 107.3 | ||||
| 1281 | N | 24.2 | Very low | 25.7 | Very low | 146 Ų | 146 | 137.4 Ų | 137.4 | 78% | 0.781 | 76% | 0.763 | S | S | * | * | 49.9 | 113.3 | 92.4 | -83.5 | -12.4 | 0 | 0 | 0 | 115.9 | |||||
| 1282 | T | 30.6 | Very low | 25.5 | Very low | 140 Ų | 140 | 143.7 Ų | 143.7 | 86% | 0.859 | 77% | 0.771 | S | S | * | * | trans | 165.9 | 142.3 | 131.8 | 40.2 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 1283 | R | 22.3 | Very low | 25.5 | Very low | 230 Ų | 230 | 143.1 Ų | 143.1 | 87% | 0.868 | 77% | 0.765 | S | S | * | * | cis | 158.6 | 142.1 | -2 | 168.8 | 178.9 | 177.9 | -172.3 | 0.1 | 104.1 | ||||
| 1284 | S | 27.2 | Very low | 25.3 | Very low | 121 Ų | 121 | 142.2 Ų | 142.2 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | trans | 95.6 | 133.3 | 155 | 75.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 1285 | G | 26.4 | Very low | 25.5 | Very low | 63 Ų | 63 | 146.4 Ų | 146.4 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | trans | 124.3 | 68.1 | 153.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1286 | I | 27.8 | Very low | 25.5 | Very low | 152 Ų | 152 | 143.3 Ų | 143.3 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | 76.4 | 97.2 | 100.8 | -63.1 | 167.7 | 0 | 0 | 0 | 112.7 | |||||
| 1287 | N | 24.3 | Very low | 25.5 | Very low | 136 Ų | 136 | 142.7 Ų | 142.7 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | 62.3 | 108.3 | 103.8 | -66.6 | -25.8 | 0 | 0 | 0 | 115.8 | |||||
| 1288 | H | 29.6 | Very low | 25.5 | Very low | 174 Ų | 174 | 146.4 Ų | 146.4 | 81% | 0.806 | 78% | 0.777 | S | S | * | * | -172.7 | 115.7 | 102.3 | -98 | -69.1 | 0 | 0 | 0 | 110.6 | |||||
| 1289 | S | 22.5 | Very low | 25.1 | Very low | 96 Ų | 96 | 151.4 Ų | 151.4 | 67% | 0.671 | 79% | 0.785 | S | S | * | * | trans | -68 | 139.3 | 156.3 | 48.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1290 | F | 25.3 | Very low | 25.1 | Very low | 202 Ų | 202 | 149.5 Ų | 149.5 | 89% | 0.886 | 78% | 0.782 | S | S | * | * | -155.3 | 133.1 | 127.1 | -101.1 | -73.7 | 0 | 0 | 0 | 110.5 | |||||
| 1291 | P | 24.2 | Very low | 24.7 | Very low | 99 Ų | 99 | 148.1 Ų | 148.1 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | trans | -103.2 | 168 | -177 | 39.7 | -32.7 | 0 | 0 | 0 | 112.9 | ||||
| 1292 | R | 21.2 | Very low | 25 | Very low | 235 Ų | 235 | 147.6 Ų | 147.6 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | trans | 58.3 | 126.2 | 153.7 | -75.4 | 179.4 | 177.9 | -142 | -1.1 | 117 | ||||
| 1293 | V | 24.9 | Very low | 25 | Very low | 118 Ų | 118 | 147.2 Ų | 147.2 | 72% | 0.715 | 78% | 0.782 | S | S | * | * | -169.2 | 126.3 | 105.8 | 154.3 | 0 | 0 | 0 | 0 | 108 | |||||
| 1294 | S | 21.8 | Very low | 25.1 | Very low | 112 Ų | 112 | 148 Ų | 148 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | -64.6 | 126.5 | 166.3 | 36 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1295 | H | 27.6 | Very low | 25.1 | Very low | 176 Ų | 176 | 147.7 Ų | 147.7 | 82% | 0.815 | 78% | 0.784 | S | S | * | * | trans | -126.7 | 117.2 | 151 | -83.4 | -71.2 | 0 | 0 | 0 | 109.5 | ||||
| 1296 | S | 22.4 | Very low | 25.6 | Very low | 96 Ų | 96 | 150.7 Ų | 150.7 | 67% | 0.671 | 79% | 0.791 | S | S | * | * | trans | -64.2 | 168.8 | 166.1 | 58.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1297 | T | 21.8 | Very low | 25.4 | Very low | 117 Ų | 117 | 147.9 Ų | 147.9 | 72% | 0.718 | 79% | 0.791 | S | S | * | * | trans | 66.2 | 95.7 | 151.4 | 41.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1298 | F | 24.7 | Very low | 25.5 | Very low | 196 Ų | 196 | 149.5 Ų | 149.5 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | -160.1 | 99.3 | 115.5 | -106 | -76.2 | 0 | 0 | 0 | 109.2 | S1300 | F1298-S1300 PolarHBondContact O-N 2.91Š| |||
| 1299 | R | 21 | Very low | 25.2 | Very low | 256 Ų | 256 | 148.8 Ų | 148.8 | 97% | 0.966 | 80% | 0.799 | S | S | * | * | trans | -66.1 | 113.5 | 151.7 | -91.6 | -178.8 | 167.5 | -139.2 | -0.6 | 106.1 | ||||
| 1300 | S | 25 | Very low | 25.3 | Very low | 89 Ų | 89 | 155.7 Ų | 155.7 | 62% | 0.622 | 81% | 0.81 | S | S | * | * | trans | -137 | 120.1 | 160.9 | 55.6 | 0 | 0 | 0 | 0 | 110.4 | F1298 | F1298-S1300 PolarHBondContact O-N 2.91Š| ||
| 1301 | N | 23.9 | Very low | 25.3 | Very low | 157 Ų | 157 | 152.2 Ų | 152.2 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | trans | 66.5 | 103.1 | 142.7 | -62.2 | -8.4 | 0 | 0 | 0 | 120.4 | ||||
| 1302 | T | 30.3 | Very low | 25.4 | Very low | 135 Ų | 135 | 152 Ų | 152 | 83% | 0.828 | 81% | 0.807 | S | S | * | * | trans | -37.5 | 162.5 | 148.4 | 41.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1303 | P | 31.7 | Very low | 25.6 | Very low | 131 Ų | 131 | 147.8 Ų | 147.8 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | trans | -97.8 | 171.5 | -148.5 | 38.6 | -33.7 | 0 | 0 | 0 | 114.7 | ||||
| 1304 | R | 23.5 | Very low | 25.9 | Very low | 247 Ų | 247 | 147.5 Ų | 147.5 | 93% | 0.932 | 80% | 0.802 | S | S | * | * | trans | -116.2 | 119.3 | -161.3 | -175.8 | -172.4 | -166.3 | -167.2 | 4.2 | 109.4 | ||||
| 1305 | S | 27.9 | Very low | 26 | Very low | 115 Ų | 115 | 150.3 Ų | 150.3 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -173 | 159.2 | 152.5 | 64.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 1306 | P | 35.4 | Very low | 25.9 | Very low | 125 Ų | 125 | 148.3 Ų | 148.3 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | -124.1 | 170.8 | -65.1 | 34.2 | -19.5 | 0 | 0 | 0 | 113.3 | |||||
| 1307 | A | 23.6 | Very low | 26.1 | Very low | 94 Ų | 94 | 148.3 Ų | 148.3 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | trans | -68 | 136.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1308 | I | 26.8 | Very low | 26.3 | Very low | 170 Ų | 170 | 147.8 Ų | 147.8 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | trans | -124.8 | 121.2 | 149 | -66 | 177.9 | 0 | 0 | 0 | 107.5 | ||||
| 1309 | L | 23.8 | Very low | 26.5 | Very low | 158 Ų | 158 | 143 Ų | 143 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | trans | -73.7 | 120 | 174.8 | -73 | 161.3 | 0 | 0 | 0 | 109.9 | ||||
| 1310 | R | 23.6 | Very low | 26.9 | Very low | 241 Ų | 241 | 136.5 Ų | 136.5 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | trans | -156.7 | 110.4 | 139.7 | -104.1 | 167.9 | -166 | -114.5 | 3.8 | 109.3 | ||||
| 1311 | T | 25.3 | Very low | 27.1 | Very low | 129 Ų | 129 | 136.2 Ų | 136.2 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | trans | -34.2 | 116.1 | 167.2 | 46.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1312 | S | 26.9 | Very low | 27.2 | Very low | 96 Ų | 96 | 134.7 Ų | 134.7 | 67% | 0.671 | 79% | 0.794 | S | S | * | * | 79.9 | 104.6 | 83.6 | 72.3 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1313 | L | 25.4 | Very low | 27 | Very low | 146 Ų | 146 | 135.2 Ų | 135.2 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | 74.4 | 148.5 | 103.1 | -110.8 | 81 | 0 | 0 | 0 | 114.3 | K1315 | L1313-K1315 HydrophobicContact CD2-CG 4.21Š| |||
| 1314 | P | 30.8 | Very low | 26.9 | Very low | 112 Ų | 112 | 137.8 Ų | 137.8 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | cis | -152.4 | 148.3 | 48.3 | 38 | -14.8 | 0 | 0 | 0 | 120.1 | ||||
| 1315 | K | 23.7 | Very low | 27.3 | Very low | 170 Ų | 170 | 131.3 Ų | 131.3 | 74% | 0.739 | 78% | 0.782 | S | S | * | * | 53.9 | 130 | 126.1 | -62.1 | 175.5 | 174.8 | 175.4 | 0 | 122.1 | L1313 | L1313-K1315 HydrophobicContact CD2-CG 4.21Š| |||
| 1316 | T | 25.9 | Very low | 27.3 | Very low | 135 Ų | 135 | 134 Ų | 134 | 83% | 0.828 | 79% | 0.787 | S | S | * | * | 140.7 | 143.8 | 125.7 | 52.7 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 1317 | S | 26.5 | Very low | 26.8 | Very low | 95 Ų | 95 | 131.4 Ų | 131.4 | 66% | 0.664 | 78% | 0.783 | S | S | * | * | cis | -174.2 | 158.9 | -2.8 | 36.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1318 | S | 27.1 | Very low | 26.8 | Very low | 106 Ų | 106 | 133.6 Ų | 133.6 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | 55.5 | 153.4 | 145.1 | 64.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1319 | S | 28.4 | Very low | 26.6 | Very low | 97 Ų | 97 | 130.6 Ų | 130.6 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | cis | 179.1 | 153.6 | -11.8 | 48.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 1320 | S | 28.6 | Very low | 26.6 | Very low | 118 Ų | 118 | 128 Ų | 128 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | trans | 62.1 | 133.5 | 143.1 | 68.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1321 | G | 29.2 | Very low | 26.7 | Very low | 83 Ų | 83 | 124.4 Ų | 124.4 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | trans | 143 | 98.9 | 139.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1322 | T | 27.1 | Very low | 26.7 | Very low | 125 Ų | 125 | 125.2 Ų | 125.2 | 77% | 0.767 | 78% | 0.779 | S | S | * | * | trans | -109.3 | 163.1 | 174 | 43.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1323 | N | 26.5 | Very low | 26.8 | Very low | 146 Ų | 146 | 125.2 Ų | 125.2 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | trans | 87.3 | 127.4 | 167.1 | -51.4 | -30.5 | 0 | 0 | 0 | 115.1 | ||||
| 1324 | H | 28.8 | Very low | 26.6 | Very low | 185 Ų | 185 | 123.5 Ų | 123.5 | 86% | 0.856 | 77% | 0.772 | S | S | * | * | cis | -149.1 | 172.8 | 42.6 | -114 | -87.4 | 0 | 0 | 0 | 113.5 | ||||
| 1325 | P | 32.6 | Very low | 26.2 | Very low | 112 Ų | 112 | 124.1 Ų | 124.1 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -115 | -173.5 | -158.9 | 44.2 | -34 | 0 | 0 | 0 | 117.2 | ||||
| 1326 | N | 26.9 | Very low | 26.1 | Very low | 172 Ų | 172 | 120.1 Ų | 120.1 | 92% | 0.92 | 77% | 0.768 | S | S | * | * | trans | -55.7 | 148.2 | -169.9 | -70.4 | -27.8 | 0 | 0 | 0 | 121.2 | ||||
| 1327 | G | 24.5 | Very low | 26.2 | Very low | 69 Ų | 69 | 120.3 Ų | 120.3 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | 141.9 | 132.8 | 144.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1328 | V | 24.8 | Very low | 26 | Very low | 140 Ų | 140 | 122.5 Ų | 122.5 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | trans | 110.3 | 113.4 | 155 | -167.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1329 | S | 23.1 | Very low | 25.8 | Very low | 107 Ų | 107 | 121.4 Ų | 121.4 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | trans | 84 | 118.8 | 143 | -66.7 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 1330 | A | 22.4 | Very low | 25.6 | Very low | 103 Ų | 103 | 123.5 Ų | 123.5 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | trans | -68.1 | 117.5 | 143.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1331 | L | 25.7 | Very low | 25.5 | Very low | 166 Ų | 166 | 126.5 Ų | 126.5 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | trans | -132.1 | 119.7 | 147.8 | -91.1 | 169.5 | 0 | 0 | 0 | 105.6 | ||||
| 1332 | N | 26.7 | Very low | 25.2 | Very low | 147 Ų | 147 | 126.7 Ų | 126.7 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | trans | -91.1 | 164.2 | 143.3 | -120.6 | -5.6 | 0 | 0 | 0 | 105 | ||||
| 1333 | P | 27.6 | Very low | 25 | Very low | 96 Ų | 96 | 126.9 Ų | 126.9 | 62% | 0.623 | 75% | 0.753 | S | S | * | * | cis | -147.6 | 179.4 | 18.6 | 40.2 | -18.5 | 0 | 0 | 0 | 116.4 | ||||
| 1334 | T | 22.5 | Very low | 24.9 | Very low | 109 Ų | 109 | 126.6 Ų | 126.6 | 67% | 0.669 | 75% | 0.75 | S | S | * | * | trans | 83.1 | 126.5 | 138.3 | 54.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1335 | T | 21.6 | Very low | 24.7 | Very low | 126 Ų | 126 | 122.2 Ų | 122.2 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | trans | 71.7 | 119.5 | 141 | 57.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 1336 | S | 22 | Very low | 24.4 | Very low | 85 Ų | 85 | 121.5 Ų | 121.5 | 59% | 0.594 | 74% | 0.738 | S | S | * | * | cis | 173.6 | 138.8 | 33.9 | 32.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 1337 | P | 27.7 | Very low | 24.4 | Very low | 139 Ų | 139 | 120.1 Ų | 120.1 | 90% | 0.903 | 73% | 0.731 | S | S | * | * | trans | -89.8 | 102.4 | 160.8 | 24.6 | -12.2 | 0 | 0 | 0 | 108 | ||||
| 1338 | L | 22.6 | Very low | 24.4 | Very low | 141 Ų | 141 | 122.4 Ų | 122.4 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | trans | -76.3 | 125.3 | 165.5 | -101.4 | 92.9 | 0 | 0 | 0 | 109.9 | ||||
| 1339 | S | 22.7 | Very low | 24.4 | Very low | 84 Ų | 84 | 122.5 Ų | 122.5 | 59% | 0.587 | 73% | 0.726 | S | S | * | * | trans | 71.6 | 144.4 | 130.8 | 77.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1340 | N | 23 | Very low | 24.4 | Very low | 140 Ų | 140 | 124.1 Ų | 124.1 | 75% | 0.749 | 73% | 0.725 | S | S | * | * | trans | 76.4 | 116.3 | 155.5 | -64.6 | -20.7 | 0 | 0 | 0 | 114.3 | ||||
| 1341 | K | 27.2 | Very low | 24.5 | Very low | 182 Ų | 182 | 124 Ų | 124 | 79% | 0.791 | 72% | 0.718 | S | S | * | * | cis | -169 | 130 | 44.8 | -113.8 | 159.9 | -176.9 | -179 | 0 | 106.2 | ||||
| 1342 | S | 23.1 | Very low | 24.7 | Very low | 86 Ų | 86 | 121.5 Ų | 121.5 | 60% | 0.601 | 71% | 0.712 | S | S | * | * | 56.1 | 120.1 | 105.2 | 81.5 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1343 | N | 23.5 | Very low | 24.6 | Very low | 129 Ų | 129 | 123.8 Ų | 123.8 | 69% | 0.69 | 72% | 0.715 | S | S | * | * | 174.8 | 147.8 | 53.6 | -117.3 | -15 | 0 | 0 | 0 | 108.6 | |||||
| 1344 | I | 24.8 | Very low | 24.3 | Very low | 141 Ų | 141 | 123.8 Ų | 123.8 | 72% | 0.723 | 72% | 0.717 | S | S | * | * | trans | 71.1 | 130.2 | 138 | -61.4 | 166.7 | 0 | 0 | 0 | 115.5 | ||||
| 1345 | S | 23.2 | Very low | 24.8 | Very low | 93 Ų | 93 | 123.3 Ų | 123.3 | 65% | 0.65 | 72% | 0.716 | S | S | * | * | cis | -178.8 | 167.8 | -4.8 | 58.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1346 | S | 26.8 | Very low | 24.9 | Very low | 97 Ų | 97 | 123.2 Ų | 123.2 | 68% | 0.678 | 72% | 0.715 | S | S | * | * | trans | 96.6 | 122.7 | 147.5 | 78.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1347 | N | 26.7 | Very low | 25 | Very low | 142 Ų | 142 | 123.9 Ų | 123.9 | 76% | 0.759 | 72% | 0.72 | S | S | * | * | trans | 87.1 | 89.5 | 152.3 | -57.1 | -14.1 | 0 | 0 | 0 | 117.1 | ||||
| 1348 | V | 24.3 | Very low | 24.9 | Very low | 117 Ų | 117 | 124 Ų | 124 | 71% | 0.709 | 71% | 0.712 | S | S | * | * | 67.3 | 116 | 62.4 | -174.7 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 1349 | L | 24.7 | Very low | 25 | Very low | 142 Ų | 142 | 124.5 Ų | 124.5 | 74% | 0.743 | 71% | 0.712 | S | S | * | * | -177.3 | 133 | 78.9 | -160.6 | 82.1 | 0 | 0 | 0 | 108.7 | |||||
| 1350 | L | 23.2 | Very low | 25 | Very low | 142 Ų | 142 | 124.9 Ų | 124.9 | 74% | 0.743 | 72% | 0.72 | S | S | * | * | trans | 45.7 | 145.2 | 138.3 | -78.7 | 89.7 | 0 | 0 | 0 | 120.1 | ||||
| 1351 | S | 24.9 | Very low | 25.1 | Very low | 99 Ų | 99 | 123.4 Ų | 123.4 | 69% | 0.692 | 72% | 0.716 | S | S | * | * | cis | 173.4 | 171.9 | 13.9 | 45.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1352 | P | 30.7 | Very low | 24.9 | Very low | 115 Ų | 115 | 121.1 Ų | 121.1 | 75% | 0.747 | 71% | 0.713 | S | S | * | * | trans | -111.6 | 170.5 | -152.6 | 41.3 | -32.6 | 0 | 0 | 0 | 114.2 | ||||
| 1353 | K | 24 | Very low | 25 | Very low | 194 Ų | 194 | 122.5 Ų | 122.5 | 84% | 0.843 | 72% | 0.718 | S | S | * | * | trans | 168.5 | 118.5 | 150.3 | -98.1 | 161 | 178.4 | -178.2 | 0 | 107 | ||||
| 1354 | S | 21.9 | Very low | 25.1 | Very low | 96 Ų | 96 | 120.9 Ų | 120.9 | 67% | 0.671 | 72% | 0.717 | S | S | * | * | 52.1 | 147.6 | 64.5 | 84.3 | 0 | 0 | 0 | 0 | 113 | |||||
| 1355 | P | 32.5 | Very low | 25 | Very low | 100 Ų | 100 | 119.1 Ų | 119.1 | 65% | 0.649 | 72% | 0.717 | S | S | * | * | cis | -145.8 | 174.4 | 9.8 | 41 | -19.9 | 0 | 0 | 0 | 115.8 | ||||
| 1356 | T | 24.3 | Very low | 25.1 | Very low | 123 Ų | 123 | 120.8 Ų | 120.8 | 76% | 0.755 | 72% | 0.723 | S | S | * | * | trans | 40.6 | 124.4 | 136.8 | 57.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1357 | S | 23 | Very low | 25 | Very low | 100 Ų | 100 | 121.3 Ų | 121.3 | 70% | 0.699 | 73% | 0.727 | S | S | * | * | 154.4 | 147.2 | 97.4 | -101.7 | 0 | 0 | 0 | 0 | 105.6 | |||||
| 1358 | I | 25.9 | Very low | 25.1 | Very low | 141 Ų | 141 | 120.4 Ų | 120.4 | 72% | 0.723 | 73% | 0.729 | S | S | * | * | cis | -157.9 | 135.6 | 9.5 | -96.6 | 147.7 | 0 | 0 | 0 | 105.1 | ||||
| 1359 | M | 23.8 | Very low | 25.4 | Very low | 152 Ų | 152 | 120.5 Ų | 120.5 | 75% | 0.749 | 73% | 0.732 | S | S | * | * | trans | 26.4 | 112.6 | 146 | -59.4 | 177.7 | 69.6 | 0 | 0 | 119.3 | ||||
| 1360 | A | 23.3 | Very low | 26 | Very low | 92 Ų | 92 | 118.8 Ų | 118.8 | 76% | 0.76 | 73% | 0.729 | S | S | * | * | trans | -52 | 140.6 | 130.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1361 | T | 25.3 | Very low | 26.3 | Very low | 108 Ų | 108 | 118.4 Ų | 118.4 | 66% | 0.663 | 73% | 0.733 | S | S | * | * | trans | -167.3 | 140.2 | 133.9 | 17.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1362 | N | 23.4 | Very low | 26.1 | Very low | 135 Ų | 135 | 118.1 Ų | 118.1 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | trans | 95.4 | 100.7 | 164.2 | -58.5 | -4 | 0 | 0 | 0 | 116 | ||||
| 1363 | T | 25.6 | Very low | 25.9 | Very low | 115 Ų | 115 | 120.2 Ų | 120.2 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | 56.2 | 93.2 | 64.8 | 75.4 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 1364 | S | 24.2 | Very low | 25.8 | Very low | 95 Ų | 95 | 116.9 Ų | 116.9 | 66% | 0.664 | 73% | 0.73 | S | S | * | * | 81.6 | 121.3 | 89.8 | 69.6 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1365 | S | 22.8 | Very low | 26 | Very low | 104 Ų | 104 | 119.8 Ų | 119.8 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | trans | 55.9 | 128.2 | 144.9 | 59.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1366 | T | 25.7 | Very low | 25.5 | Very low | 128 Ų | 128 | 120.7 Ų | 120.7 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | 171.9 | 128.4 | 96.1 | -45.6 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 1367 | S | 24.6 | Very low | 25.6 | Very low | 108 Ų | 108 | 121.9 Ų | 121.9 | 76% | 0.755 | 74% | 0.744 | S | S | * | * | trans | -66.2 | 152.4 | 164.6 | 41.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1368 | P | 28.4 | Very low | 25.6 | Very low | 122 Ų | 122 | 122 Ų | 122 | 79% | 0.792 | 74% | 0.741 | S | S | * | * | -147.5 | 175.3 | 96.5 | 30.4 | -7.9 | 0 | 0 | 0 | 114.5 | |||||
| 1369 | P | 32.3 | Very low | 25.4 | Very low | 120 Ų | 120 | 122.3 Ų | 122.3 | 78% | 0.779 | 74% | 0.742 | S | S | * | * | trans | -99.6 | -158 | -168.7 | 41 | -31.7 | 0 | 0 | 0 | 111.7 | ||||
| 1370 | P | 37.4 | Very low | 25.4 | Very low | 106 Ų | 106 | 121.3 Ų | 121.3 | 69% | 0.688 | 75% | 0.745 | S | S | * | * | -115.5 | 179.2 | -51.1 | 33 | -16 | 0 | 0 | 0 | 111.1 | |||||
| 1371 | T | 27.6 | Very low | 25.4 | Very low | 133 Ų | 133 | 123 Ų | 123 | 82% | 0.816 | 75% | 0.746 | S | S | * | * | 179.4 | 133 | 129.1 | 27.8 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1372 | S | 21.2 | Very low | 25.5 | Very low | 94 Ų | 94 | 122.8 Ų | 122.8 | 66% | 0.657 | 75% | 0.746 | S | S | * | * | trans | -14.1 | 143.3 | 160.7 | 55.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1373 | I | 27.6 | Very low | 25.4 | Very low | 158 Ų | 158 | 122.1 Ų | 122.1 | 81% | 0.81 | 75% | 0.747 | S | S | * | * | -157.4 | 112.5 | 106.4 | -81.9 | 135.1 | 0 | 0 | 0 | 107.7 | |||||
| 1374 | T | 21.3 | Very low | 25.3 | Very low | 125 Ų | 125 | 121.8 Ų | 121.8 | 77% | 0.767 | 75% | 0.749 | S | S | * | * | trans | -67.3 | 130.2 | 157.6 | 39.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1375 | N | 26.2 | Very low | 25.3 | Very low | 156 Ų | 156 | 123.7 Ų | 123.7 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | trans | -146.7 | 110.6 | 148 | -113.1 | -4.3 | 0 | 0 | 0 | 110.7 | ||||
| 1376 | T | 21.8 | Very low | 25.4 | Very low | 120 Ų | 120 | 124.3 Ų | 124.3 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | trans | -68.7 | 134.9 | 165.4 | 45.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1377 | N | 26 | Very low | 25.6 | Very low | 148 Ų | 148 | 123.8 Ų | 123.8 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | trans | -169.9 | 98.9 | 148.7 | -95.7 | -9 | 0 | 0 | 0 | 107.2 | ||||
| 1378 | T | 22.4 | Very low | 25.7 | Very low | 103 Ų | 103 | 126.5 Ų | 126.5 | 63% | 0.632 | 77% | 0.769 | S | S | * | * | 77.1 | 111.9 | 88.6 | 53.3 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1379 | I | 22.1 | Very low | 25.8 | Very low | 146 Ų | 146 | 130.6 Ų | 130.6 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | trans | 74.2 | 106 | 132 | -54.5 | 162.8 | 0 | 0 | 0 | 117.1 | ||||
| 1380 | T | 25.2 | Very low | 25.7 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | 176.4 | 132.6 | 107.6 | 26.8 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1381 | T | 21.5 | Very low | 25.5 | Very low | 128 Ų | 128 | 132.1 Ų | 132.1 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -55 | 167.5 | 158.5 | 46.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1382 | P | 27.7 | Very low | 25.8 | Very low | 103 Ų | 103 | 131.7 Ų | 131.7 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | cis | -150.8 | 172.4 | 31.1 | 38.4 | -14.7 | 0 | 0 | 0 | 118.8 | ||||
| 1383 | T | 21.7 | Very low | 26.8 | Very low | 122 Ų | 122 | 132.6 Ų | 132.6 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | 55.1 | 112.3 | 144.7 | 51.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1384 | S | 23.3 | Very low | 27.9 | Very low | 107 Ų | 107 | 128.4 Ų | 128.4 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | 153.1 | 139.9 | 101.2 | 57.5 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1385 | T | 23.9 | Very low | 29.8 | Very low | 136 Ų | 136 | 132.8 Ų | 132.8 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | trans | 69.1 | 117.5 | 154 | 38.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1386 | S | 25.1 | Very low | 32.3 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | -65 | 139.7 | 171.1 | 50.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1387 | S | 30.5 | Very low | 35.5 | Very low | 116 Ų | 116 | 128.5 Ų | 128.5 | 81% | 0.811 | 74% | 0.737 | S | S | * | * | trans | -127 | 129.6 | 157.9 | 60.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1388 | N | 26.8 | Very low | 38.6 | Very low | 165 Ų | 165 | 123 Ų | 123 | 88% | 0.882 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 129.9 | -174 | -70.3 | -39.2 | 0 | 0 | 0 | 115 | ||
| 1389 | K | 31 | Very low | 42 | Very low | 208 Ų | 208 | 126 Ų | 126 | 90% | 0.904 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 122 | 161.1 | -83.8 | -176.9 | 176.3 | 178.9 | 0 | 109.5 | ||
| 1390 | T | 28.8 | Very low | 45 | Very low | 143 Ų | 143 | 119.8 Ų | 119.8 | 88% | 0.877 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 121.4 | 178.4 | 49.2 | 0 | 0 | 0 | 0 | 112.2 | ||
| 1391 | S | 32.9 | Very low | 47.6 | Very low | 115 Ų | 115 | 117.5 Ų | 117.5 | 80% | 0.804 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 139.8 | 170.6 | 76.6 | 0 | 0 | 0 | 0 | 111.6 | ||
| 1392 | T | 35.2 | Very low | 50.6 | Low | 124 Ų | 124 | 118.1 Ų | 118.1 | 76% | 0.761 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 145.9 | 179 | 45.5 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1393 | P | 42.2 | Very low | 53.5 | Low | 113 Ų | 113 | 114.8 Ų | 114.8 | 73% | 0.734 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 131.4 | -179.8 | 27.8 | -33.5 | 0 | 0 | 0 | 112.1 | R1395 | P1393-R1395 PolarHBondContact O-N 3.43Š|
| 1394 | V | 49.7 | Very low | 56.8 | Low | 70 Ų | 70 | 110.3 Ų | 110.3 | 42% | 0.424 | 61% | 0.609 | S | S | . | * | P | Polyproline II helix | trans | -71.4 | 122.2 | 177 | 179.1 | 0 | 0 | 0 | 0 | 109.4 | K1396 T1406 L1420 | V1394-K1396 WeakPolarHBondContact CG1-O 3.43Å; V1394-T1406 HydrophobicContact CG1-CG2 4.27Å; V1394-T1406 HydrophobicContact CG2-CG2 4.2Å; V1394-L1420 HydrophobicContact CB-CD1 4.11Å; V1394-L1420 HydrophobicContact CG1-CD1 4.02Å |
| 1395 | R | 61.7 | Low | 60.2 | Low | 218 Ų | 218 | 105.2 Ų | 105.2 | 82% | 0.823 | 57% | 0.574 | S | S | * | * | trans | -90.7 | -31.6 | -179 | -66.8 | 179.7 | -170.5 | 144.3 | 0.1 | 113.7 | P1393 | P1393-R1395 PolarHBondContact O-N 3.43Š| ||
| 1396 | K | 79.2 | Confident | 63.3 | Low | 110 Ų | 110 | 99.2 Ų | 99.2 | 48% | 0.478 | 54% | 0.537 | S | S | . | . | trans | -139.5 | 147.9 | -177.9 | -64 | -177.1 | 179 | -179.9 | 0 | 113.1 | V1394 Y1398 E1407 | V1394-K1396 WeakPolarHBondContact CG1-O 3.43Å; K1396-Y1398 HydrophobicContact CB-CE2 4.03Å; K1396-E1407 HydrophobicContact CB-CG 4.39Å; K1396-E1407 PolarHBondContact N-OE1 2.88Å; K1396-E1407 VanDerWaalsContact N-OE1 3.15Å | ||
| 1397 | I | 88.9 | Confident | 66 | Low | 76 Ų | 76 | 96.8 Ų | 96.8 | 39% | 0.39 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 134.2 | 177.4 | -54.3 | 158.7 | 0 | 0 | 0 | 108.6 | L1404 L1420 | I1397-L1404 HydrophobicContact CG2-CB 3.87Å; I1397-L1404 HydrophobicContact CG2-CD1 4.49Å; I1397-L1404 HydrophobicContact CG2-CD2 4.04Å; I1397-L1404 HydrophobicContact CG2-CG 4.35Å; I1397-L1420 HydrophobicContact CD1-CD1 3.89Å; I1397-L1420 HydrophobicContact CD1-CD2 3.39Å; I1397-L1420 HydrophobicContact CD1-CG 4.12Å; I1397-L1420 HydrophobicContact CG1-CD1 3.95Å; I1397-L1420 HydrophobicContact CG1-CD2 3.96Å |
| 1398 | Y | 91.3 | Very high | 68.5 | Low | 32 Ų | 32 | 96.7 Ų | 96.7 | 13% | 0.125 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 136.4 | -178.6 | -61.9 | -89.3 | 0 | 0 | 0 | 110.9 | K1396 L1404 F1405 E1407 I1440 Y1443 | K1396-Y1398 HydrophobicContact CB-CE2 4.03Å; Y1398-L1404 CarbonylContact O-C 3.55Å; Y1398-L1404 WeakPolarHBondContact O-CA 3.34Å; Y1398-F1405 PolarHBondContact N-O 3.42Å; Y1398-F1405 PolarHBondContact O-N 3.1Å; Y1398-E1407 HydrophobicContact CE2-CG 3.83Å; Y1398-I1440 HydrophobicContact CD1-CG1 4.34Å; Y1398-I1440 HydrophobicContact CD2-CD1 4.15Å; Y1398-I1440 HydrophobicContact CD2-CG1 4.14Å; Y1398-I1440 HydrophobicContact CD2-CG2 4.36Å; Y1398-I1440 HydrophobicContact CE2-CG2 4.29Å; Y1398-I1440 HydrophobicContact CG-CD1 4.16Å; Y1398-I1440 HydrophobicContact CG-CG1 3.89Å; Y1398-Y1443 AromaticContact CE1-CD1 3.58Å; Y1398-Y1443 HydrophobicContact CE1-CD1 3.58Å; Y1398-Y1443 AromaticContact CE1-CE1 3.74Å; Y1398-Y1443 HydrophobicContact CE1-CE1 3.74Å; Y1398-Y1443 HydrophobicContact CE1-CG 4.14Å; Y1398-Y1443 AromaticContact CZ-CD1 3.97Å; Y1398-Y1443 WeakPolarHBondContact OH-CE1 3.38Å |
| 1399 | R | 92.8 | Very high | 71.3 | Confident | 165 Ų | 165 | 89.2 Ų | 89.2 | 62% | 0.623 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 124.4 | 175 | -176.9 | 178.8 | -89.8 | -98.1 | -0.7 | 110.4 | T1403 L1404 | R1399-T1403 WeakPolarHBondContact CA-O 3.46Å; R1399-L1404 HydrophobicContact CB-CD2 3.85Å; R1399-L1404 HydrophobicContact CG-CD2 4.21Å |
| 1400 | V | 86.5 | Confident | 74.1 | Confident | 17 Ų | 17 | 84.2 Ų | 84.2 | 10% | 0.103 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 123.6 | 176.5 | -176.2 | 0 | 0 | 0 | 0 | 109.7 | N1402 T1403 F1405 Q1432 L1435 A1436 | V1400-N1402 VanDerWaalsContact C-N 3.3Å; V1400-N1402 PolarHBondContact O-N 3.47Å; V1400-T1403 PolarHBondContact N-O 2.75Å; V1400-T1403 PolarHBondContact O-N 2.92Å; V1400-F1405 HydrophobicContact CB-CD2 4Å; V1400-F1405 HydrophobicContact CB-CE2 3.83Å; V1400-F1405 HydrophobicContact CG2-CD2 4.2Å; V1400-F1405 HydrophobicContact CG2-CE2 4.49Å; V1400-Q1432 PolarHBondContact O-NE2 3.08Å; V1400-L1435 HydrophobicContact CG1-CD2 4.29Å; V1400-L1435 HydrophobicContact CG1-CG 4.36Å; V1400-A1436 HydrophobicContact CB-CB 4.18Å; V1400-A1436 HydrophobicContact CG1-CB 4.23Å; V1400-A1436 HydrophobicContact CG2-CB 4.1Å |
| 1401 | C | 78.9 | Confident | 77.1 | Confident | 83 Ų | 83 | 77.5 Ų | 77.5 | 56% | 0.561 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.9 | 48.3 | 179.4 | -56.6 | 0 | 0 | 0 | 0 | 113.1 | T1403 Q1432 | C1401-T1403 VanDerWaalsContact C-N 3.27Å; C1401-T1403 PolarHBondContact O-N 3.14Å; C1401-Q1432 HydrophobicContact CB-CG 4.23Å; C1401-Q1432 PolarHBondContact O-NE2 3.22Å |
| 1402 | N | 83.5 | Confident | 79.8 | Confident | 141 Ų | 141 | 72.2 Ų | 72.2 | 75% | 0.754 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 3.9 | -176.8 | -61.9 | -22.9 | 0 | 0 | 0 | 117.7 | V1400 | V1400-N1402 VanDerWaalsContact C-N 3.3Å; V1400-N1402 PolarHBondContact O-N 3.47Å |
| 1403 | T | 88.6 | Confident | 82.4 | Confident | 32 Ų | 32 | 70.3 Ų | 70.3 | 20% | 0.196 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 144.9 | 174.2 | -48.3 | 0 | 0 | 0 | 0 | 111.4 | R1399 V1400 C1401 F1405 P1411 I1428 Q1432 | R1399-T1403 WeakPolarHBondContact CA-O 3.46Å; V1400-T1403 PolarHBondContact N-O 2.75Å; V1400-T1403 PolarHBondContact O-N 2.92Å; C1401-T1403 VanDerWaalsContact C-N 3.27Å; C1401-T1403 PolarHBondContact O-N 3.14Å; T1403-F1405 HydrophobicContact CG2-CE2 4.09Å; T1403-F1405 HydrophobicContact CG2-CZ 4.13Å; T1403-F1405 WeakPolarHBondContact O-CD2 3.49Å; T1403-F1405 WeakPolarHBondContact O-CE2 3.44Å; T1403-P1411 HydrophobicContact CG2-CB 4.28Å; T1403-I1428 HydrophobicContact CG2-CD1 3.43Å; T1403-I1428 VanDerWaalsContact CG2-CD1 3.43Å; T1403-Q1432 PolarHBondContact OG1-NE2 3.34Å |
| 1404 | L | 92.9 | Very high | 84.4 | Confident | 28 Ų | 28 | 69 Ų | 69 | 15% | 0.147 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 141.7 | 178 | -60.6 | 172 | 0 | 0 | 0 | 110.3 | I1397 Y1398 R1399 P1411 V1412 I1414 | I1397-L1404 HydrophobicContact CG2-CB 3.87Å; I1397-L1404 HydrophobicContact CG2-CD1 4.49Å; I1397-L1404 HydrophobicContact CG2-CD2 4.04Å; I1397-L1404 HydrophobicContact CG2-CG 4.35Å; Y1398-L1404 CarbonylContact O-C 3.55Å; Y1398-L1404 WeakPolarHBondContact O-CA 3.34Å; R1399-L1404 HydrophobicContact CB-CD2 3.85Å; R1399-L1404 HydrophobicContact CG-CD2 4.21Å; L1404-P1411 CarbonylContact O-C 3.59Å; L1404-P1411 WeakPolarHBondContact O-CA 3.13Å; L1404-V1412 WeakPolarHBondContact CB-O 3.38Å; L1404-V1412 PolarHBondContact O-N 3.45Å; L1404-I1414 HydrophobicContact CD1-CD1 3.55Å; L1404-I1414 HydrophobicContact CD1-CG1 3.68Å |
| 1405 | F | 93.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 146.2 | -177.6 | -64.8 | -90.6 | 0 | 0 | 0 | 110.9 | Y1398 V1400 T1403 K1410 P1411 I1428 A1436 I1440 | Y1398-F1405 PolarHBondContact N-O 3.42Å; Y1398-F1405 PolarHBondContact O-N 3.1Å; V1400-F1405 HydrophobicContact CB-CD2 4Å; V1400-F1405 HydrophobicContact CB-CE2 3.83Å; V1400-F1405 HydrophobicContact CG2-CD2 4.2Å; V1400-F1405 HydrophobicContact CG2-CE2 4.49Å; T1403-F1405 HydrophobicContact CG2-CE2 4.09Å; T1403-F1405 HydrophobicContact CG2-CZ 4.13Å; T1403-F1405 WeakPolarHBondContact O-CD2 3.49Å; T1403-F1405 WeakPolarHBondContact O-CE2 3.44Å; F1405-K1410 CarbonylContact C-O 3.54Å; F1405-K1410 VanDerWaalsContact CA-O 3.26Å; F1405-K1410 WeakPolarHBondContact CA-O 3.26Å; F1405-P1411 HydrophobicContact CD1-CB 4.11Å; F1405-P1411 HydrophobicContact CE1-CB 3.91Å; F1405-I1428 HydrophobicContact CE1-CD1 4.11Å; F1405-I1428 HydrophobicContact CZ-CD1 4.01Å; F1405-A1436 HydrophobicContact CD1-CB 3.96Å; F1405-A1436 HydrophobicContact CD2-CB 3.91Å; F1405-A1436 HydrophobicContact CE1-CB 3.85Å; F1405-A1436 HydrophobicContact CE2-CB 3.81Å; F1405-A1436 HydrophobicContact CG-CB 3.99Å; F1405-A1436 HydrophobicContact CZ-CB 3.78Å; F1405-I1440 HydrophobicContact CB-CD1 3.96Å |
| 1406 | T | 88.8 | Confident | 86.4 | Confident | 10 Ų | 10 | 61.3 Ų | 61.3 | 6% | 0.061 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 173.3 | 167.5 | 61.1 | 0 | 0 | 0 | 0 | 111.9 | V1394 D1408 A1409 K1410 V1412 | V1394-T1406 HydrophobicContact CG1-CG2 4.27Å; V1394-T1406 HydrophobicContact CG2-CG2 4.2Å; T1406-D1408 PolarHBondContact O-N 3.12Å; T1406-D1408 PolarHBondContact OG1-N 2.91Å; T1406-A1409 WeakPolarHBondContact O-CA 3.03Å; T1406-A1409 PolarHBondContact O-N 2.72Å; T1406-K1410 PolarHBondContact N-O 3.42Å; T1406-K1410 PolarHBondContact OG1-N 2.82Å; T1406-K1410 PolarHBondContact OG1-O 3.36Å; T1406-V1412 HydrophobicContact CG2-CG2 3.38Å |
| 1407 | E | 83.3 | Confident | 86.2 | Confident | 67 Ų | 67 | 62.1 Ų | 62.1 | 31% | 0.313 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -39.2 | 168.9 | -73.4 | 172.8 | -160.8 | 0 | 0 | 112.8 | K1396 Y1398 A1409 | K1396-E1407 HydrophobicContact CB-CG 4.39Å; K1396-E1407 PolarHBondContact N-OE1 2.88Å; K1396-E1407 VanDerWaalsContact N-OE1 3.15Å; Y1398-E1407 HydrophobicContact CE2-CG 3.83Å; E1407-A1409 PolarHBondContact O-N 2.92Å; E1407-A1409 VanDerWaalsContact O-N 3.12Å |
| 1408 | D | 82 | Confident | 85.5 | Confident | 114 Ų | 114 | 61 Ų | 61 | 61% | 0.61 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | 9.2 | 173.9 | -64.5 | -10.8 | 0 | 0 | 0 | 115 | T1406 K1410 | T1406-D1408 PolarHBondContact O-N 3.12Å; T1406-D1408 PolarHBondContact OG1-N 2.91Å; D1408-K1410 VanDerWaalsContact C-N 3.25Å; D1408-K1410 HydrophobicContact CB-CG 4.35Å; D1408-K1410 PolarHBondContact O-N 2.71Å; D1408-K1410 IonicContact OD2-NZ 2.77Å |
| 1409 | A | 86.7 | Confident | 85 | Confident | 8 Ų | 8 | 62 Ų | 62 | 7% | 0.066 | 34% | 0.341 | C | S | . | . | trans | 55.1 | 33.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | T1406 E1407 R1437 I1440 | T1406-A1409 WeakPolarHBondContact O-CA 3.03Å; T1406-A1409 PolarHBondContact O-N 2.72Å; E1407-A1409 PolarHBondContact O-N 2.92Å; E1407-A1409 VanDerWaalsContact O-N 3.12Å; A1409-R1437 HydrophobicContact CB-CB 4.25Å; A1409-R1437 HydrophobicContact CB-CG 3.39Å; A1409-I1440 HydrophobicContact CB-CD1 4Å | ||
| 1410 | K | 88.3 | Confident | 84.4 | Confident | 102 Ų | 102 | 57.1 Ų | 57.1 | 44% | 0.443 | 33% | 0.327 | S | S | . | . | trans | -89.4 | 133.4 | 169.9 | -66.9 | 176.1 | -176.5 | 153.6 | 0 | 109.1 | F1405 T1406 D1408 V1412 L1422 | F1405-K1410 CarbonylContact C-O 3.54Å; F1405-K1410 VanDerWaalsContact CA-O 3.26Å; F1405-K1410 WeakPolarHBondContact CA-O 3.26Å; T1406-K1410 PolarHBondContact N-O 3.42Å; T1406-K1410 PolarHBondContact OG1-N 2.82Å; T1406-K1410 PolarHBondContact OG1-O 3.36Å; D1408-K1410 VanDerWaalsContact C-N 3.25Å; D1408-K1410 HydrophobicContact CB-CG 4.35Å; D1408-K1410 PolarHBondContact O-N 2.71Å; D1408-K1410 IonicContact OD2-NZ 2.77Å; K1410-V1412 VanDerWaalsContact O-CG2 3.29Å; K1410-V1412 WeakPolarHBondContact O-CG2 3.37Å; K1410-L1422 HydrophobicContact CB-CD2 4.39Å; K1410-L1422 HydrophobicContact CD-CD2 3.95Å | ||
| 1411 | P | 91.6 | Very high | 84.4 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.013 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 145.9 | -177.8 | 28.4 | -32.2 | 0 | 0 | 0 | 112.6 | T1403 L1404 F1405 I1423 I1428 | T1403-P1411 HydrophobicContact CG2-CB 4.28Å; L1404-P1411 CarbonylContact O-C 3.59Å; L1404-P1411 WeakPolarHBondContact O-CA 3.13Å; F1405-P1411 HydrophobicContact CD1-CB 4.11Å; F1405-P1411 HydrophobicContact CE1-CB 3.91Å; P1411-I1423 HydrophobicContact CB-CB 4.21Å; P1411-I1423 HydrophobicContact CG-CB 4.21Å; P1411-I1423 PolarHBondContact O-N 3.39Å; P1411-I1428 HydrophobicContact CB-CD1 3.16Å; P1411-I1428 HydrophobicContact CB-CG1 4.34Å; P1411-I1428 HydrophobicContact CG-CD1 3.63Å; P1411-I1428 HydrophobicContact CG-CG1 4.43Å |
| 1412 | V | 91.4 | Very high | 84.7 | Confident | 4 Ų | 4 | 61.3 Ų | 61.3 | 2% | 0.024 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 152.7 | -172.1 | -154.3 | 0 | 0 | 0 | 0 | 110 | L1404 T1406 K1410 L1420 I1421 | L1404-V1412 WeakPolarHBondContact CB-O 3.38Å; L1404-V1412 PolarHBondContact O-N 3.45Å; T1406-V1412 HydrophobicContact CG2-CG2 3.38Å; K1410-V1412 VanDerWaalsContact O-CG2 3.29Å; K1410-V1412 WeakPolarHBondContact O-CG2 3.37Å; V1412-L1420 HydrophobicContact CB-CD2 4.48Å; V1412-L1420 HydrophobicContact CG1-CB 3.7Å; V1412-L1420 HydrophobicContact CG1-CD2 3.74Å; V1412-L1420 HydrophobicContact CG1-CG 4.26Å; V1412-I1421 CarbonylContact C-O 3.58Å; V1412-I1421 VanDerWaalsContact CA-O 3.26Å; V1412-I1421 WeakPolarHBondContact CA-O 3.38Å; V1412-I1421 WeakPolarHBondContact CG1-O 3.38Å |
| 1413 | K | 87.8 | Confident | 84.7 | Confident | 85 Ų | 85 | 56.9 Ų | 56.9 | 37% | 0.37 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 144.8 | 166.5 | -168 | 175.9 | 175.9 | -176.4 | 0 | 109.7 | T729 I1421 I1423 | T729-K1413 VanDerWaalsContact CG2-NZ 3.32Å; K1413-I1421 PolarHBondContact N-O 3.03Å; K1413-I1421 PolarHBondContact O-N 3.09Å; K1413-I1423 HydrophobicContact CB-CD1 4.03Å; K1413-I1423 HydrophobicContact CB-CG1 4.22Å |
| 1414 | I | 84.4 | Confident | 84.5 | Confident | 85 Ų | 85 | 59.5 Ų | 59.5 | 44% | 0.436 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 122 | 171 | -59.8 | 169.6 | 0 | 0 | 0 | 107.9 | L1404 S1419 L1420 | L1404-I1414 HydrophobicContact CD1-CD1 3.55Å; L1404-I1414 HydrophobicContact CD1-CG1 3.68Å; I1414-S1419 WeakPolarHBondContact CA-O 3.15Å; I1414-L1420 HydrophobicContact CG1-CD2 4.19Å |
| 1415 | G | 81.2 | Confident | 83.5 | Confident | 9 Ų | 9 | 61.3 Ų | 61.3 | 9% | 0.093 | 35% | 0.349 | C | S | . | . | trans | -73.2 | 168.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | N1417 G1418 S1419 | G1415-N1417 PolarHBondContact O-N 3.39Å; G1415-N1417 VanDerWaalsContact O-N 3.11Å; G1415-G1418 PolarHBondContact O-N 3.28Å; G1415-S1419 PolarHBondContact N-O 2.93Å | ||
| 1416 | P | 73.4 | Confident | 82.8 | Confident | 117 Ų | 117 | 67.6 Ų | 67.6 | 76% | 0.76 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -21.2 | -179.7 | 24.2 | -33.3 | 0 | 0 | 0 | 114 | ||
| 1417 | N | 75.4 | Confident | 82.5 | Confident | 127 Ų | 127 | 70.8 Ų | 70.8 | 68% | 0.679 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 9.7 | 176 | 60.9 | -6.9 | 0 | 0 | 0 | 113.7 | G1415 S1419 | G1415-N1417 PolarHBondContact O-N 3.39Å; G1415-N1417 VanDerWaalsContact O-N 3.11Å; N1417-S1419 VanDerWaalsContact C-N 3.26Å; N1417-S1419 PolarHBondContact O-N 3.28Å; N1417-S1419 VanDerWaalsContact OD1-CB 3.3Å; N1417-S1419 WeakPolarHBondContact OD1-CB 3.38Å; N1417-S1419 PolarHBondContact OD1-N 3.16Å; N1417-S1419 VanDerWaalsContact OD1-N 3.16Å; N1417-S1419 PolarHBondContact OD1-OG 3.46Å |
| 1418 | G | 73.8 | Confident | 82.5 | Confident | 54 Ų | 54 | 68.1 Ų | 68.1 | 56% | 0.557 | 39% | 0.393 | S | S | * | . | S | Bend | trans | 78 | 0.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | G1415 | G1415-G1418 PolarHBondContact O-N 3.28Š|
| 1419 | S | 80.6 | Confident | 82.7 | Confident | 51 Ų | 51 | 66.8 Ų | 66.8 | 36% | 0.357 | 39% | 0.391 | S | S | . | . | trans | -72.8 | 152.8 | 177.6 | 67.6 | 0 | 0 | 0 | 0 | 112.9 | I1414 G1415 N1417 | I1414-S1419 WeakPolarHBondContact CA-O 3.15Å; G1415-S1419 PolarHBondContact N-O 2.93Å; N1417-S1419 VanDerWaalsContact C-N 3.26Å; N1417-S1419 PolarHBondContact O-N 3.28Å; N1417-S1419 VanDerWaalsContact OD1-CB 3.3Å; N1417-S1419 WeakPolarHBondContact OD1-CB 3.38Å; N1417-S1419 PolarHBondContact OD1-N 3.16Å; N1417-S1419 VanDerWaalsContact OD1-N 3.16Å; N1417-S1419 PolarHBondContact OD1-OG 3.46Å | ||
| 1420 | L | 81.2 | Confident | 82.5 | Confident | 63 Ų | 63 | 71 Ų | 71 | 33% | 0.33 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 113.1 | -179.5 | -73.3 | 174.8 | 0 | 0 | 0 | 111.5 | V1394 I1397 V1412 I1414 | V1394-L1420 HydrophobicContact CB-CD1 4.11Å; V1394-L1420 HydrophobicContact CG1-CD1 4.02Å; I1397-L1420 HydrophobicContact CD1-CD1 3.89Å; I1397-L1420 HydrophobicContact CD1-CD2 3.39Å; I1397-L1420 HydrophobicContact CD1-CG 4.12Å; I1397-L1420 HydrophobicContact CG1-CD1 3.95Å; I1397-L1420 HydrophobicContact CG1-CD2 3.96Å; V1412-L1420 HydrophobicContact CB-CD2 4.48Å; V1412-L1420 HydrophobicContact CG1-CB 3.7Å; V1412-L1420 HydrophobicContact CG1-CD2 3.74Å; V1412-L1420 HydrophobicContact CG1-CG 4.26Å; I1414-L1420 HydrophobicContact CG1-CD2 4.19Å |
| 1421 | I | 85.1 | Confident | 82.4 | Confident | 83 Ų | 83 | 72.1 Ų | 72.1 | 43% | 0.426 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 114.6 | 179 | -56.6 | 171.6 | 0 | 0 | 0 | 109.2 | V1412 K1413 I1423 | V1412-I1421 CarbonylContact C-O 3.58Å; V1412-I1421 VanDerWaalsContact CA-O 3.26Å; V1412-I1421 WeakPolarHBondContact CA-O 3.38Å; V1412-I1421 WeakPolarHBondContact CG1-O 3.38Å; K1413-I1421 PolarHBondContact N-O 3.03Å; K1413-I1421 PolarHBondContact O-N 3.09Å; I1421-I1423 PolarHBondContact O-N 3.44Å |
| 1422 | L | 85.8 | Confident | 82.2 | Confident | 106 Ų | 106 | 73.9 Ų | 73.9 | 56% | 0.555 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 131 | 174.4 | -105.8 | 80.4 | 0 | 0 | 0 | 110.8 | K1410 | K1410-L1422 HydrophobicContact CB-CD2 4.39Å; K1410-L1422 HydrophobicContact CD-CD2 3.95Å |
| 1423 | I | 84 | Confident | 81.9 | Confident | 47 Ų | 47 | 76 Ų | 76 | 24% | 0.241 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -94.5 | 140.9 | 173.8 | -54.2 | 172.7 | 0 | 0 | 0 | 108.1 | P1411 K1413 I1421 S1427 | P1411-I1423 HydrophobicContact CB-CB 4.21Å; P1411-I1423 HydrophobicContact CG-CB 4.21Å; P1411-I1423 PolarHBondContact O-N 3.39Å; K1413-I1423 HydrophobicContact CB-CD1 4.03Å; K1413-I1423 HydrophobicContact CB-CG1 4.22Å; I1421-I1423 PolarHBondContact O-N 3.44Å; I1423-S1427 WeakPolarHBondContact CG2-OG 3.35Å |
| 1424 | P | 83.6 | Confident | 82 | Confident | 88 Ų | 88 | 76.4 Ų | 76.4 | 57% | 0.571 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -53.4 | 132.7 | 173.1 | -26.2 | 34.8 | 0 | 0 | 0 | 111.3 | D1426 S1427 | P1424-D1426 PolarHBondContact O-N 3.1Å; P1424-D1426 VanDerWaalsContact O-N 3.1Å; P1424-S1427 PolarHBondContact O-N 3.1Å; P1424-S1427 VanDerWaalsContact O-N 3.12Å; P1424-S1427 PolarHBondContact O-OG 3.15Å; P1424-S1427 VanDerWaalsContact O-OG 3.11Å |
| 1425 | P | 72.4 | Confident | 82.3 | Confident | 65 Ų | 65 | 75.4 Ų | 75.4 | 42% | 0.422 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -63.6 | -22.3 | -175.5 | 27.8 | -35.8 | 0 | 0 | 0 | 112.5 | S1427 I1428 R1433 | P1425-S1427 VanDerWaalsContact C-N 3.29Å; P1425-S1427 PolarHBondContact O-N 3.32Å; P1425-I1428 PolarHBondContact O-N 2.75Å; P1425-R1433 WeakPolarHBondContact O-CD 3.49Å; P1425-R1433 PolarHBondContact O-NE 3.45Å; P1425-R1433 PolarHBondContact O-NH1 2.85Å; P1425-R1433 PolarHBondContact O-NH2 2.94Å |
| 1426 | D | 79.1 | Confident | 82.8 | Confident | 133 Ų | 133 | 75 Ų | 75 | 71% | 0.711 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -76.7 | -13.5 | -179.6 | -57.7 | -32.9 | 0 | 0 | 0 | 113.7 | P1424 I1428 R1433 | P1424-D1426 PolarHBondContact O-N 3.1Å; P1424-D1426 VanDerWaalsContact O-N 3.1Å; D1426-I1428 PolarHBondContact O-N 3.41Å; D1426-R1433 IonicContact OD1-NH2 3.21Å |
| 1427 | S | 82.2 | Confident | 83.7 | Confident | 77 Ų | 77 | 76.4 Ų | 76.4 | 54% | 0.538 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -74 | -11.1 | 175.1 | 81.4 | 0 | 0 | 0 | 0 | 113.1 | I1423 P1424 P1425 | I1423-S1427 WeakPolarHBondContact CG2-OG 3.35Å; P1424-S1427 PolarHBondContact O-N 3.1Å; P1424-S1427 VanDerWaalsContact O-N 3.12Å; P1424-S1427 PolarHBondContact O-OG 3.15Å; P1424-S1427 VanDerWaalsContact O-OG 3.11Å; P1425-S1427 VanDerWaalsContact C-N 3.29Å; P1425-S1427 PolarHBondContact O-N 3.32Å |
| 1428 | I | 83.7 | Confident | 84.4 | Confident | 10 Ų | 10 | 75.4 Ų | 75.4 | 5% | 0.051 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -116 | 129.2 | -179.3 | -58.9 | -177.8 | 0 | 0 | 0 | 109.1 | T1403 F1405 P1411 P1425 D1426 L1430 Q1432 R1433 | T1403-I1428 HydrophobicContact CG2-CD1 3.43Å; T1403-I1428 VanDerWaalsContact CG2-CD1 3.43Å; F1405-I1428 HydrophobicContact CE1-CD1 4.11Å; F1405-I1428 HydrophobicContact CZ-CD1 4.01Å; P1411-I1428 HydrophobicContact CB-CD1 3.16Å; P1411-I1428 HydrophobicContact CB-CG1 4.34Å; P1411-I1428 HydrophobicContact CG-CD1 3.63Å; P1411-I1428 HydrophobicContact CG-CG1 4.43Å; P1425-I1428 PolarHBondContact O-N 2.75Å; D1426-I1428 PolarHBondContact O-N 3.41Å; I1428-L1430 PolarHBondContact O-N 2.85Å; I1428-Q1432 HydrophobicContact CG2-CB 3.84Å; I1428-Q1432 HydrophobicContact CG2-CG 3.96Å; I1428-R1433 HydrophobicContact CB-CG 4Å; I1428-R1433 HydrophobicContact CG2-CG 3.85Å; I1428-R1433 PolarHBondContact O-NE 3.25Å |
| 1429 | P | 86.2 | Confident | 85.3 | Confident | 86 Ų | 86 | 77.5 Ų | 77.5 | 56% | 0.558 | 41% | 0.41 | S | S | * | . | trans | -48.8 | 137.1 | 175.9 | -27.9 | 34.8 | 0 | 0 | 0 | 112.1 | N1431 Q1432 R1433 | P1429-N1431 PolarHBondContact O-N 3.27Å; P1429-N1431 VanDerWaalsContact O-N 3.12Å; P1429-Q1432 PolarHBondContact O-N 3.19Å; P1429-R1433 PolarHBondContact O-N 3.34Å; P1429-R1433 VanDerWaalsContact O-N 3.16Å | ||
| 1430 | L | 82.5 | Confident | 85.8 | Confident | 98 Ų | 98 | 75.3 Ų | 75.3 | 51% | 0.513 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -53.5 | -37.7 | -177.1 | -178.2 | 63.5 | 0 | 0 | 0 | 112.3 | I1428 Q1432 R1433 Q1434 | I1428-L1430 PolarHBondContact O-N 2.85Å; L1430-Q1432 PolarHBondContact O-N 3.35Å; L1430-R1433 PolarHBondContact O-N 3.36Å; L1430-Q1434 HydrophobicContact CD1-CG 4.37Å; L1430-Q1434 HydrophobicContact CG-CG 4.42Å; L1430-Q1434 WeakPolarHBondContact O-CG 2.93Å; L1430-Q1434 PolarHBondContact O-N 2.66Å |
| 1431 | N | 85.9 | Confident | 86.2 | Confident | 125 Ų | 125 | 75.3 Ų | 75.3 | 67% | 0.668 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -59.6 | -46.9 | 178.3 | -167.8 | -15 | 0 | 0 | 0 | 111.7 | P1429 R1433 Q1434 L1435 | P1429-N1431 PolarHBondContact O-N 3.27Å; P1429-N1431 VanDerWaalsContact O-N 3.12Å; N1431-R1433 PolarHBondContact O-N 3.3Å; N1431-Q1434 PolarHBondContact O-N 2.91Å; N1431-L1435 WeakPolarHBondContact O-CB 3.35Å; N1431-L1435 PolarHBondContact O-N 2.83Å |
| 1432 | Q | 85.9 | Confident | 86.2 | Confident | 39 Ų | 39 | 78.9 Ų | 78.9 | 18% | 0.182 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -67 | -37.1 | 178.1 | -174.9 | 178.9 | -1.1 | 0 | 0 | 112.2 | V1400 C1401 T1403 I1428 P1429 L1430 L1435 A1436 | V1400-Q1432 PolarHBondContact O-NE2 3.08Å; C1401-Q1432 HydrophobicContact CB-CG 4.23Å; C1401-Q1432 PolarHBondContact O-NE2 3.22Å; T1403-Q1432 PolarHBondContact OG1-NE2 3.34Å; I1428-Q1432 HydrophobicContact CG2-CB 3.84Å; I1428-Q1432 HydrophobicContact CG2-CG 3.96Å; P1429-Q1432 PolarHBondContact O-N 3.19Å; L1430-Q1432 PolarHBondContact O-N 3.35Å; Q1432-L1435 PolarHBondContact O-N 3.08Å; Q1432-A1436 WeakPolarHBondContact O-CB 3.48Å; Q1432-A1436 PolarHBondContact O-N 2.98Å |
| 1433 | R | 86.5 | Confident | 86.2 | Confident | 47 Ų | 47 | 78.8 Ų | 78.8 | 18% | 0.177 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 173.8 | -71.6 | -171.2 | -80.8 | 163.3 | -13.5 | 112.2 | P1425 D1426 I1428 P1429 L1430 N1431 A1436 R1437 | P1425-R1433 WeakPolarHBondContact O-CD 3.49Å; P1425-R1433 PolarHBondContact O-NE 3.45Å; P1425-R1433 PolarHBondContact O-NH1 2.85Å; P1425-R1433 PolarHBondContact O-NH2 2.94Å; D1426-R1433 IonicContact OD1-NH2 3.21Å; I1428-R1433 HydrophobicContact CB-CG 4Å; I1428-R1433 HydrophobicContact CG2-CG 3.85Å; I1428-R1433 PolarHBondContact O-NE 3.25Å; P1429-R1433 PolarHBondContact O-N 3.34Å; P1429-R1433 VanDerWaalsContact O-N 3.16Å; L1430-R1433 PolarHBondContact O-N 3.36Å; N1431-R1433 PolarHBondContact O-N 3.3Å; R1433-A1436 PolarHBondContact O-N 2.87Å; R1433-R1437 WeakPolarHBondContact O-CG 3.44Å; R1433-R1437 PolarHBondContact O-N 3.3Å |
| 1434 | Q | 89.6 | Confident | 86.3 | Confident | 94 Ų | 94 | 79.6 Ų | 79.6 | 44% | 0.439 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.2 | -42.1 | 176.6 | -74 | 178 | -12.8 | 0 | 0 | 111.5 | L1430 N1431 A1436 R1437 Q1438 | L1430-Q1434 HydrophobicContact CD1-CG 4.37Å; L1430-Q1434 HydrophobicContact CG-CG 4.42Å; L1430-Q1434 WeakPolarHBondContact O-CG 2.93Å; L1430-Q1434 PolarHBondContact O-N 2.66Å; N1431-Q1434 PolarHBondContact O-N 2.91Å; Q1434-A1436 PolarHBondContact O-N 3.4Å; Q1434-R1437 WeakPolarHBondContact O-CB 3.26Å; Q1434-R1437 PolarHBondContact O-N 3.02Å; Q1434-Q1438 WeakPolarHBondContact O-CG 3.3Å; Q1434-Q1438 PolarHBondContact O-N 2.96Å |
| 1435 | L | 90.4 | Very high | 86.1 | Confident | 65 Ų | 65 | 81.8 Ų | 81.8 | 34% | 0.34 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.1 | -46.1 | 173.9 | -178.6 | 66 | 0 | 0 | 0 | 111.5 | V1400 N1431 Q1432 R1437 Q1438 M1439 | V1400-L1435 HydrophobicContact CG1-CD2 4.29Å; V1400-L1435 HydrophobicContact CG1-CG 4.36Å; N1431-L1435 WeakPolarHBondContact O-CB 3.35Å; N1431-L1435 PolarHBondContact O-N 2.83Å; Q1432-L1435 PolarHBondContact O-N 3.08Å; L1435-R1437 PolarHBondContact O-N 3.49Å; L1435-Q1438 PolarHBondContact O-N 2.86Å; L1435-M1439 HydrophobicContact CD1-CG 4.21Å; L1435-M1439 HydrophobicContact CG-CG 4.35Å; L1435-M1439 WeakPolarHBondContact O-CB 3.36Å; L1435-M1439 VanDerWaalsContact O-CG 3.3Å; L1435-M1439 WeakPolarHBondContact O-CG 3.45Å; L1435-M1439 PolarHBondContact O-N 3.46Å |
| 1436 | A | 92.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 84.5 Ų | 84.5 | 0% | 0 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -60 | -45.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1400 F1405 Q1432 R1433 Q1434 Q1438 M1439 I1440 | V1400-A1436 HydrophobicContact CB-CB 4.18Å; V1400-A1436 HydrophobicContact CG1-CB 4.23Å; V1400-A1436 HydrophobicContact CG2-CB 4.1Å; F1405-A1436 HydrophobicContact CD1-CB 3.96Å; F1405-A1436 HydrophobicContact CD2-CB 3.91Å; F1405-A1436 HydrophobicContact CE1-CB 3.85Å; F1405-A1436 HydrophobicContact CE2-CB 3.81Å; F1405-A1436 HydrophobicContact CG-CB 3.99Å; F1405-A1436 HydrophobicContact CZ-CB 3.78Å; Q1432-A1436 WeakPolarHBondContact O-CB 3.48Å; Q1432-A1436 PolarHBondContact O-N 2.98Å; R1433-A1436 PolarHBondContact O-N 2.87Å; Q1434-A1436 PolarHBondContact O-N 3.4Å; A1436-Q1438 VanDerWaalsContact C-N 3.34Å; A1436-Q1438 PolarHBondContact O-N 3.49Å; A1436-M1439 PolarHBondContact O-N 2.86Å; A1436-I1440 WeakPolarHBondContact O-CB 3.38Å; A1436-I1440 WeakPolarHBondContact O-CD1 3.38Å; A1436-I1440 VanDerWaalsContact O-CG1 3.24Å; A1436-I1440 WeakPolarHBondContact O-CG1 3.33Å; A1436-I1440 PolarHBondContact O-N 3.33Å |
| 1437 | R | 91.6 | Very high | 86.2 | Confident | 147 Ų | 147 | 80.8 Ų | 80.8 | 56% | 0.555 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -56.8 | -45.2 | 174.4 | -77.4 | 175.4 | 175.7 | -175.8 | -1.2 | 112.4 | A1409 R1433 Q1434 L1435 S1441 | A1409-R1437 HydrophobicContact CB-CB 4.25Å; A1409-R1437 HydrophobicContact CB-CG 3.39Å; R1433-R1437 WeakPolarHBondContact O-CG 3.44Å; R1433-R1437 PolarHBondContact O-N 3.3Å; Q1434-R1437 WeakPolarHBondContact O-CB 3.26Å; Q1434-R1437 PolarHBondContact O-N 3.02Å; L1435-R1437 PolarHBondContact O-N 3.49Å; R1437-S1441 VanDerWaalsContact O-CB 3.25Å; R1437-S1441 WeakPolarHBondContact O-CB 3.42Å; R1437-S1441 PolarHBondContact O-N 3.16Å; R1437-S1441 PolarHBondContact O-OG 2.97Å |
| 1438 | Q | 91.1 | Very high | 85.3 | Confident | 105 Ų | 105 | 81.7 Ų | 81.7 | 49% | 0.491 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67.4 | -45.2 | 179.5 | -71.7 | -178.1 | 11 | 0 | 0 | 112 | Q1434 L1435 A1436 S1441 R1442 | Q1434-Q1438 WeakPolarHBondContact O-CG 3.3Å; Q1434-Q1438 PolarHBondContact O-N 2.96Å; L1435-Q1438 PolarHBondContact O-N 2.86Å; A1436-Q1438 VanDerWaalsContact C-N 3.34Å; A1436-Q1438 PolarHBondContact O-N 3.49Å; Q1438-S1441 PolarHBondContact O-N 3.02Å; Q1438-R1442 WeakPolarHBondContact O-CB 3.48Å; Q1438-R1442 VanDerWaalsContact O-CG 3.3Å; Q1438-R1442 WeakPolarHBondContact O-CG 3.41Å; Q1438-R1442 PolarHBondContact O-N 3.43Å |
| 1439 | M | 92.1 | Very high | 83.9 | Confident | 98 Ų | 98 | 84.3 Ų | 84.3 | 48% | 0.483 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.9 | -45.4 | 179.6 | -73.6 | -69.1 | -70.9 | 0 | 0 | 111.9 | L1435 A1436 R1442 Y1443 | L1435-M1439 HydrophobicContact CD1-CG 4.21Å; L1435-M1439 HydrophobicContact CG-CG 4.35Å; L1435-M1439 WeakPolarHBondContact O-CB 3.36Å; L1435-M1439 VanDerWaalsContact O-CG 3.3Å; L1435-M1439 WeakPolarHBondContact O-CG 3.45Å; L1435-M1439 PolarHBondContact O-N 3.46Å; A1436-M1439 PolarHBondContact O-N 2.86Å; M1439-R1442 PolarHBondContact O-N 3.07Å; M1439-Y1443 WeakPolarHBondContact O-CB 3.12Å; M1439-Y1443 PolarHBondContact O-N 3.33Å |
| 1440 | I | 91.6 | Very high | 82 | Confident | 5 Ų | 5 | 86.4 Ų | 86.4 | 3% | 0.026 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -67 | -42.1 | 178.3 | -65.2 | 166.8 | 0 | 0 | 0 | 110.4 | Y1398 F1405 A1409 A1436 R1442 Y1443 H1444 | Y1398-I1440 HydrophobicContact CD1-CG1 4.34Å; Y1398-I1440 HydrophobicContact CD2-CD1 4.15Å; Y1398-I1440 HydrophobicContact CD2-CG1 4.14Å; Y1398-I1440 HydrophobicContact CD2-CG2 4.36Å; Y1398-I1440 HydrophobicContact CE2-CG2 4.29Å; Y1398-I1440 HydrophobicContact CG-CD1 4.16Å; Y1398-I1440 HydrophobicContact CG-CG1 3.89Å; F1405-I1440 HydrophobicContact CB-CD1 3.96Å; A1409-I1440 HydrophobicContact CB-CD1 4Å; A1436-I1440 WeakPolarHBondContact O-CB 3.38Å; A1436-I1440 WeakPolarHBondContact O-CD1 3.38Å; A1436-I1440 VanDerWaalsContact O-CG1 3.24Å; A1436-I1440 WeakPolarHBondContact O-CG1 3.33Å; A1436-I1440 PolarHBondContact O-N 3.33Å; I1440-R1442 PolarHBondContact O-N 3.22Å; I1440-Y1443 WeakPolarHBondContact O-CB 3.48Å; I1440-Y1443 PolarHBondContact O-N 3.47Å; I1440-H1444 PolarHBondContact O-CD2 3.06Å; I1440-H1444 PolarHBondContact O-N 3.26Å |
| 1441 | S | 87.9 | Confident | 80 | Confident | 63 Ų | 63 | 86.5 Ų | 86.5 | 44% | 0.441 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 175 | -61 | 0 | 0 | 0 | 0 | 112.1 | R1437 Q1438 Y1443 H1444 Q1445 | R1437-S1441 VanDerWaalsContact O-CB 3.25Å; R1437-S1441 WeakPolarHBondContact O-CB 3.42Å; R1437-S1441 PolarHBondContact O-N 3.16Å; R1437-S1441 PolarHBondContact O-OG 2.97Å; Q1438-S1441 PolarHBondContact O-N 3.02Å; S1441-Y1443 VanDerWaalsContact C-N 3.32Å; S1441-Y1443 PolarHBondContact O-N 3.37Å; S1441-H1444 PolarHBondContact O-N 3.15Å; S1441-Q1445 WeakPolarHBondContact O-CG 3.04Å; S1441-Q1445 PolarHBondContact O-N 3.43Å |
| 1442 | R | 84.8 | Confident | 77.5 | Confident | 158 Ų | 158 | 86.1 Ų | 86.1 | 60% | 0.596 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -62.1 | -39.6 | 174.9 | -76.9 | 179.5 | -176.1 | 174.5 | 2.7 | 111.7 | Q1438 M1439 I1440 Q1445 H1446 | Q1438-R1442 WeakPolarHBondContact O-CB 3.48Å; Q1438-R1442 VanDerWaalsContact O-CG 3.3Å; Q1438-R1442 WeakPolarHBondContact O-CG 3.41Å; Q1438-R1442 PolarHBondContact O-N 3.43Å; M1439-R1442 PolarHBondContact O-N 3.07Å; I1440-R1442 PolarHBondContact O-N 3.22Å; R1442-Q1445 PolarHBondContact O-N 3.27Å; R1442-H1446 WeakPolarHBondContact O-CB 3.34Å; R1442-H1446 PolarHBondContact O-N 2.97Å |
| 1443 | Y | 87 | Confident | 74.7 | Confident | 105 Ų | 105 | 94 Ų | 94 | 41% | 0.412 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.8 | -47.6 | 174.9 | 178.7 | -95.2 | 0 | 0 | 0 | 111.4 | Y1398 M1439 I1440 S1441 Q1445 H1446 V1447 | Y1398-Y1443 AromaticContact CE1-CD1 3.58Å; Y1398-Y1443 HydrophobicContact CE1-CD1 3.58Å; Y1398-Y1443 AromaticContact CE1-CE1 3.74Å; Y1398-Y1443 HydrophobicContact CE1-CE1 3.74Å; Y1398-Y1443 HydrophobicContact CE1-CG 4.14Å; Y1398-Y1443 AromaticContact CZ-CD1 3.97Å; Y1398-Y1443 WeakPolarHBondContact OH-CE1 3.38Å; M1439-Y1443 WeakPolarHBondContact O-CB 3.12Å; M1439-Y1443 PolarHBondContact O-N 3.33Å; I1440-Y1443 WeakPolarHBondContact O-CB 3.48Å; I1440-Y1443 PolarHBondContact O-N 3.47Å; S1441-Y1443 VanDerWaalsContact C-N 3.32Å; S1441-Y1443 PolarHBondContact O-N 3.37Å; Y1443-Q1445 PolarHBondContact O-N 3.49Å; Y1443-H1446 PolarHBondContact O-N 2.92Å; Y1443-V1447 HydrophobicContact CD1-CG2 4.09Å; Y1443-V1447 HydrophobicContact CD2-CG2 4.5Å; Y1443-V1447 HydrophobicContact CE1-CG2 3.66Å; Y1443-V1447 HydrophobicContact CE2-CG2 4.12Å; Y1443-V1447 HydrophobicContact CG-CG2 4.49Å; Y1443-V1447 VanDerWaalsContact O-CG2 3.3Å; Y1443-V1447 WeakPolarHBondContact O-CG2 3.38Å; Y1443-V1447 PolarHBondContact O-N 2.93Å |
| 1444 | H | 85.2 | Confident | 71.9 | Confident | 64 Ų | 64 | 96.5 Ų | 96.5 | 30% | 0.296 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.7 | -37.6 | 176.5 | -74.7 | -69.4 | 0 | 0 | 0 | 112.8 | I1440 S1441 H1446 V1447 N1448 | I1440-H1444 PolarHBondContact O-CD2 3.06Å; I1440-H1444 PolarHBondContact O-N 3.26Å; S1441-H1444 PolarHBondContact O-N 3.15Å; H1444-H1446 VanDerWaalsContact C-N 3.34Å; H1444-V1447 PolarHBondContact O-N 3.23Å; H1444-N1448 VanDerWaalsContact O-CB 3.29Å; H1444-N1448 WeakPolarHBondContact O-CB 3.2Å; H1444-N1448 VanDerWaalsContact O-CG 3.23Å; H1444-N1448 PolarHBondContact O-N 3.06Å; H1444-N1448 PolarHBondContact O-ND2 3.45Å |
| 1445 | Q | 80.6 | Confident | 68.9 | Low | 133 Ų | 133 | 100.4 Ų | 100.4 | 62% | 0.621 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.9 | -42.9 | 172.5 | -74.1 | 175.1 | 6.5 | 0 | 0 | 111.6 | S1441 R1442 Y1443 N1448 A1449 | S1441-Q1445 WeakPolarHBondContact O-CG 3.04Å; S1441-Q1445 PolarHBondContact O-N 3.43Å; R1442-Q1445 PolarHBondContact O-N 3.27Å; Y1443-Q1445 PolarHBondContact O-N 3.49Å; Q1445-N1448 PolarHBondContact O-N 2.93Å; Q1445-A1449 WeakPolarHBondContact O-CB 3.42Å; Q1445-A1449 PolarHBondContact O-N 3.42Å |
| 1446 | H | 78.8 | Confident | 65.9 | Low | 122 Ų | 122 | 101.8 Ų | 101.8 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66 | -43.3 | 177.8 | -173.5 | -95.3 | 0 | 0 | 0 | 111.8 | R1442 Y1443 H1444 A1449 I1450 | R1442-H1446 WeakPolarHBondContact O-CB 3.34Å; R1442-H1446 PolarHBondContact O-N 2.97Å; Y1443-H1446 PolarHBondContact O-N 2.92Å; H1444-H1446 VanDerWaalsContact C-N 3.34Å; H1446-A1449 PolarHBondContact O-N 2.93Å; H1446-I1450 VanDerWaalsContact CE1-CD1 3.5Å; H1446-I1450 WeakPolarHBondContact CE1-CD1 3.21Å; H1446-I1450 WeakPolarHBondContact O-CG1 3.45Å; H1446-I1450 PolarHBondContact O-N 3.07Å |
| 1447 | V | 73.6 | Confident | 62.8 | Low | 56 Ų | 56 | 109.3 Ų | 109.3 | 34% | 0.339 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.8 | -41.8 | 175.9 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | Y1443 H1444 I1450 S1451 | Y1443-V1447 HydrophobicContact CD1-CG2 4.09Å; Y1443-V1447 HydrophobicContact CD2-CG2 4.5Å; Y1443-V1447 HydrophobicContact CE1-CG2 3.66Å; Y1443-V1447 HydrophobicContact CE2-CG2 4.12Å; Y1443-V1447 HydrophobicContact CG-CG2 4.49Å; Y1443-V1447 VanDerWaalsContact O-CG2 3.3Å; Y1443-V1447 WeakPolarHBondContact O-CG2 3.38Å; Y1443-V1447 PolarHBondContact O-N 2.93Å; H1444-V1447 PolarHBondContact O-N 3.23Å; V1447-I1450 PolarHBondContact O-N 3.33Å; V1447-S1451 PolarHBondContact O-N 3.04Å |
| 1448 | N | 64.7 | Low | 59.5 | Low | 95 Ų | 95 | 109.4 Ų | 109.4 | 51% | 0.508 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -70.6 | -35.1 | 176.1 | -71.6 | -11.8 | 0 | 0 | 0 | 112.2 | H1444 Q1445 I1450 S1451 I1452 | H1444-N1448 VanDerWaalsContact O-CB 3.29Å; H1444-N1448 WeakPolarHBondContact O-CB 3.2Å; H1444-N1448 VanDerWaalsContact O-CG 3.23Å; H1444-N1448 PolarHBondContact O-N 3.06Å; H1444-N1448 PolarHBondContact O-ND2 3.45Å; Q1445-N1448 PolarHBondContact O-N 2.93Å; N1448-I1450 VanDerWaalsContact C-N 3.33Å; N1448-I1450 PolarHBondContact O-N 3.15Å; N1448-S1451 CarbonylContact O-C 3.56Å; N1448-S1451 WeakPolarHBondContact O-CA 3.18Å; N1448-S1451 WeakPolarHBondContact O-CB 3.34Å; N1448-S1451 PolarHBondContact O-N 3.27Å; N1448-I1452 WeakPolarHBondContact O-CG1 3.2Å; N1448-I1452 PolarHBondContact O-N 3.08Å |
| 1449 | A | 54.2 | Low | 56.3 | Low | 66 Ų | 66 | 112.9 Ų | 112.9 | 55% | 0.545 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.3 | -34.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q1445 H1446 S1451 I1452 | Q1445-A1449 WeakPolarHBondContact O-CB 3.42Å; Q1445-A1449 PolarHBondContact O-N 3.42Å; H1446-A1449 PolarHBondContact O-N 2.93Å; A1449-S1451 PolarHBondContact O-N 3.15Å; A1449-I1452 PolarHBondContact O-N 3.15Å |
| 1450 | I | 46.7 | Very low | 52.9 | Low | 130 Ų | 130 | 113.4 Ų | 113.4 | 67% | 0.667 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65.9 | -28.6 | 171.1 | -65.7 | 163.1 | 0 | 0 | 0 | 110.9 | H1446 V1447 N1448 | H1446-I1450 VanDerWaalsContact CE1-CD1 3.5Å; H1446-I1450 WeakPolarHBondContact CE1-CD1 3.21Å; H1446-I1450 WeakPolarHBondContact O-CG1 3.45Å; H1446-I1450 PolarHBondContact O-N 3.07Å; V1447-I1450 PolarHBondContact O-N 3.33Å; N1448-I1450 VanDerWaalsContact C-N 3.33Å; N1448-I1450 PolarHBondContact O-N 3.15Å |
| 1451 | S | 40.4 | Very low | 49.7 | Very low | 99 Ų | 99 | 118.2 Ų | 118.2 | 69% | 0.692 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | 2.4 | -178.9 | -163.3 | 0 | 0 | 0 | 0 | 115 | V1447 N1448 A1449 | V1447-S1451 PolarHBondContact O-N 3.04Å; N1448-S1451 CarbonylContact O-C 3.56Å; N1448-S1451 WeakPolarHBondContact O-CA 3.18Å; N1448-S1451 WeakPolarHBondContact O-CB 3.34Å; N1448-S1451 PolarHBondContact O-N 3.27Å; A1449-S1451 PolarHBondContact O-N 3.15Å |
| 1452 | I | 32.7 | Very low | 46.5 | Very low | 118 Ų | 118 | 121.6 Ų | 121.6 | 61% | 0.605 | 65% | 0.651 | S | S | * | * | trans | -122.5 | 89.3 | -178.2 | -57.5 | 163.5 | 0 | 0 | 0 | 109.6 | N1448 A1449 | N1448-I1452 WeakPolarHBondContact O-CG1 3.2Å; N1448-I1452 PolarHBondContact O-N 3.08Å; A1449-I1452 PolarHBondContact O-N 3.15Å | ||
| 1453 | K | 26.7 | Very low | 43.8 | Very low | 205 Ų | 205 | 119.9 Ų | 119.9 | 89% | 0.891 | 66% | 0.664 | S | S | * | * | trans | -96.3 | 113.1 | 150.2 | -103.9 | -175.9 | 178.6 | -179.6 | 0 | 107.8 | N1455 | K1453-N1455 PolarHBondContact O-N 3.47Š| ||
| 1454 | P | 28.7 | Very low | 40.7 | Very low | 99 Ų | 99 | 119.7 Ų | 119.7 | 64% | 0.643 | 68% | 0.678 | S | S | * | * | trans | -77.1 | 116.4 | 178.2 | 29.9 | -29 | 0 | 0 | 0 | 108.7 | S1456 | P1454-S1456 PolarHBondContact O-N 3.46Š| ||
| 1455 | N | 26.7 | Very low | 37.8 | Very low | 175 Ų | 175 | 124.4 Ų | 124.4 | 94% | 0.936 | 70% | 0.704 | S | S | * | * | trans | -93.1 | 79.8 | 164.8 | -139.8 | 14.6 | 0 | 0 | 0 | 107.5 | K1453 | K1453-N1455 PolarHBondContact O-N 3.47Š| ||
| 1456 | S | 26.4 | Very low | 35 | Very low | 94 Ų | 94 | 122.7 Ų | 122.7 | 66% | 0.657 | 71% | 0.707 | S | S | * | * | trans | -96.3 | 100.2 | 168.9 | 55.8 | 0 | 0 | 0 | 0 | 108.4 | P1454 | P1454-S1456 PolarHBondContact O-N 3.46Š| ||
| 1457 | N | 27.7 | Very low | 32.4 | Very low | 158 Ų | 158 | 121.9 Ų | 121.9 | 85% | 0.845 | 72% | 0.715 | S | S | * | * | trans | -155.6 | 99 | 142.9 | -99.7 | -13.8 | 0 | 0 | 0 | 109.8 | H1459 | N1457-H1459 PolarHBondContact O-N 3.44Š| ||
| 1458 | I | 21.3 | Very low | 30 | Very low | 149 Ų | 149 | 125.9 Ų | 125.9 | 76% | 0.764 | 74% | 0.74 | S | S | * | * | trans | -18.4 | 115.9 | 154 | -60.4 | 160.2 | 0 | 0 | 0 | 113.6 | ||||
| 1459 | H | 24.6 | Very low | 28 | Very low | 178 Ų | 178 | 127.1 Ų | 127.1 | 82% | 0.824 | 76% | 0.756 | S | S | * | * | -156.8 | 106.1 | 125.1 | -114.9 | -69 | 0 | 0 | 0 | 109.1 | N1457 | N1457-H1459 PolarHBondContact O-N 3.44Š| |||
| 1460 | S | 21.3 | Very low | 26.6 | Very low | 109 Ų | 109 | 129.9 Ų | 129.9 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | trans | -113.6 | 134.4 | 166.9 | -40 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1461 | P | 23.2 | Very low | 25.5 | Very low | 106 Ų | 106 | 128.7 Ų | 128.7 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | -135.5 | 124.4 | 129.2 | 30.8 | -15.5 | 0 | 0 | 0 | 111.7 | |||||
| 1462 | T | 21.8 | Very low | 24.7 | Very low | 134 Ų | 134 | 129.4 Ų | 129.4 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | 49 | 108.8 | 135.4 | 62.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1463 | S | 27.1 | Very low | 24.2 | Very low | 122 Ų | 122 | 129.5 Ų | 129.5 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | -160.6 | 126.7 | 122 | 50.5 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 1464 | S | 22.8 | Very low | 24 | Very low | 101 Ų | 101 | 126 Ų | 126 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | -62.7 | 144.5 | 167.9 | 48.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1465 | L | 24.7 | Very low | 23.9 | Very low | 163 Ų | 163 | 129.2 Ų | 129.2 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | -168.4 | 127.3 | 112.1 | -123.6 | 78.3 | 0 | 0 | 0 | 110.9 | |||||
| 1466 | S | 21.7 | Very low | 23.8 | Very low | 98 Ų | 98 | 125.9 Ų | 125.9 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | trans | -72.8 | 140.5 | 172.2 | 46.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1467 | S | 23.4 | Very low | 23.7 | Very low | 104 Ų | 104 | 127.3 Ų | 127.3 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -3.3 | 136.9 | 139.7 | 56.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1468 | T | 23.3 | Very low | 23.9 | Very low | 141 Ų | 141 | 125 Ų | 125 | 87% | 0.865 | 79% | 0.786 | S | S | * | * | -157.1 | 121.4 | 129.9 | 15.1 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 1469 | S | 22 | Very low | 24.1 | Very low | 120 Ų | 120 | 122.7 Ų | 122.7 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | trans | -62.4 | 141.3 | 164.6 | 44 | 0 | 0 | 0 | 0 | 112 | ||||
| 1470 | S | 25.6 | Very low | 24.1 | Very low | 124 Ų | 124 | 122.4 Ų | 122.4 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | trans | -122 | 145.9 | 161.4 | 50.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1471 | S | 24 | Very low | 24.2 | Very low | 106 Ų | 106 | 123.6 Ų | 123.6 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | -94.5 | 147 | -161.2 | 47 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1472 | S | 22.1 | Very low | 24.5 | Very low | 113 Ų | 113 | 124.6 Ų | 124.6 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | 1 | 129 | 145.4 | 57.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1473 | S | 24.2 | Very low | 24.7 | Very low | 121 Ų | 121 | 123.4 Ų | 123.4 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | -143 | 128.2 | 147.9 | 56.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1474 | T | 22.3 | Very low | 24.7 | Very low | 131 Ų | 131 | 125.9 Ų | 125.9 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -81.3 | 141.9 | -176.5 | 45.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1475 | L | 25.5 | Very low | 25 | Very low | 166 Ų | 166 | 125.4 Ų | 125.4 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | trans | -142.6 | 107.6 | 156.1 | -104.7 | 111.2 | 0 | 0 | 0 | 111.9 | ||||
| 1476 | S | 24.6 | Very low | 25.1 | Very low | 105 Ų | 105 | 125 Ų | 125 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | trans | 44.1 | 114.4 | 133.6 | 54.9 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1477 | V | 24.9 | Very low | 25.4 | Very low | 124 Ų | 124 | 126.7 Ų | 126.7 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | trans | -60.2 | 167.2 | 148.2 | 174 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1478 | P | 32 | Very low | 25.5 | Very low | 111 Ų | 111 | 127.7 Ų | 127.7 | 72% | 0.721 | 81% | 0.809 | S | S | * | * | cis | -134.7 | 153.9 | 24.7 | 13.4 | 15.9 | 0 | 0 | 0 | 117.5 | ||||
| 1479 | S | 24.3 | Very low | 25.8 | Very low | 99 Ų | 99 | 127.5 Ų | 127.5 | 69% | 0.692 | 81% | 0.808 | S | S | * | * | 63.6 | 100.2 | 89.3 | -32.3 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 1480 | N | 25.3 | Very low | 25.8 | Very low | 173 Ų | 173 | 127 Ų | 127 | 93% | 0.925 | 80% | 0.804 | S | S | * | * | trans | -115.5 | 118.2 | 157.7 | -110 | 0.9 | 0 | 0 | 0 | 109.4 | ||||
| 1481 | T | 24.4 | Very low | 26 | Very low | 134 Ų | 134 | 127.7 Ų | 127.7 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | trans | -86.1 | 132 | 175.3 | 46.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1482 | S | 29.2 | Very low | 25.9 | Very low | 126 Ų | 126 | 128.7 Ų | 128.7 | 88% | 0.881 | 81% | 0.805 | S | S | * | * | trans | -148.4 | 128.4 | 151.5 | 55.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1483 | S | 25.3 | Very low | 26.2 | Very low | 110 Ų | 110 | 129.4 Ų | 129.4 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | -81.7 | 136.8 | -176 | 48.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1484 | L | 28.2 | Very low | 26.3 | Very low | 173 Ų | 173 | 129.4 Ų | 129.4 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | trans | -151.6 | 93.9 | 148.9 | -108.6 | 110.8 | 0 | 0 | 0 | 106 | ||||
| 1485 | A | 29.2 | Very low | 26.5 | Very low | 91 Ų | 91 | 129.8 Ų | 129.8 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | 73.1 | 109.7 | 83.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1486 | N | 25.1 | Very low | 26.7 | Very low | 155 Ų | 155 | 126.7 Ų | 126.7 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | trans | -55.7 | 138 | 177.9 | -66.4 | -29.4 | 0 | 0 | 0 | 113.4 | ||||
| 1487 | T | 28.5 | Very low | 26.8 | Very low | 134 Ų | 134 | 129.6 Ų | 129.6 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | -123.6 | 99.5 | 150 | -39.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1488 | T | 25.2 | Very low | 27.1 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 77% | 0.767 | 81% | 0.806 | S | S | * | * | trans | -68.7 | 122 | 163.6 | 37.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1489 | T | 29.4 | Very low | 27 | Very low | 137 Ų | 137 | 134.7 Ų | 134.7 | 84% | 0.84 | 83% | 0.832 | S | S | * | * | trans | -125 | 110.5 | 153.2 | 26 | 0 | 0 | 0 | 0 | 109 | ||||
| 1490 | S | 23.5 | Very low | 27.1 | Very low | 109 Ų | 109 | 136.5 Ų | 136.5 | 76% | 0.762 | 84% | 0.839 | S | S | * | * | trans | -78.6 | 127.6 | 172.6 | 46.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1491 | T | 28.4 | Very low | 27.2 | Very low | 138 Ų | 138 | 134.6 Ų | 134.6 | 85% | 0.847 | 84% | 0.835 | S | S | * | * | trans | -147.5 | 99.3 | 146.8 | 38.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1492 | T | 23.2 | Very low | 27.4 | Very low | 127 Ų | 127 | 134.6 Ų | 134.6 | 78% | 0.779 | 84% | 0.835 | S | S | * | * | trans | -34.7 | 136.5 | 148.1 | 33.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1493 | T | 28.1 | Very low | 27.3 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 79% | 0.785 | 83% | 0.833 | S | S | * | * | -178.2 | 119.2 | 112.8 | 29.4 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1494 | V | 26.7 | Very low | 27.4 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 73% | 0.733 | 84% | 0.837 | S | S | * | * | trans | 59.2 | 99.8 | 135.4 | -168.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1495 | T | 25.4 | Very low | 27.4 | Very low | 140 Ų | 140 | 134.3 Ų | 134.3 | 86% | 0.859 | 83% | 0.832 | S | S | * | * | trans | -58.8 | 127.1 | 142.8 | 46.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1496 | S | 29.8 | Very low | 27.2 | Very low | 101 Ų | 101 | 137.4 Ų | 137.4 | 71% | 0.706 | 84% | 0.838 | S | S | * | * | trans | -133.5 | 118.7 | 159.5 | 57.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1497 | N | 26.7 | Very low | 27.4 | Very low | 166 Ų | 166 | 136 Ų | 136 | 89% | 0.888 | 84% | 0.839 | S | S | * | * | trans | -58.5 | 139.2 | 173.7 | -70.6 | -30.7 | 0 | 0 | 0 | 112.2 | ||||
| 1498 | L | 31.1 | Very low | 27.3 | Very low | 159 Ų | 159 | 136.2 Ų | 136.2 | 83% | 0.832 | 84% | 0.84 | S | S | * | * | trans | -134.2 | 126.7 | 154.5 | -103.2 | 130.8 | 0 | 0 | 0 | 108 | ||||
| 1499 | S | 30.2 | Very low | 27.5 | Very low | 183 Ų | 183 | 137.2 Ų | 137.2 | 100% | 1.28 | 85% | 0.847 | S | S | * | * | trans | 13.6 | 0 | 154.6 | 60.3 | 0 | 0 | 0 | 0 | 119.9 |
Retrieved 1,499 of 1,499 residues in 2268.7 ms
(Link to these results)