| 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 | 56.5 | Low | 81.7 | Confident | 66 Ų | 66 | 34.2 Ų | 34.2 | 33% | 0.325 | 19% | 0.187 | S | C | . | . | 0 | 150.2 | 0 | -82 | -58.4 | -68.4 | 0 | 0 | 110.8 | V3 L892 E910 A911 Q914 | M1-V3 WeakPolarHBondContact O-CG2 3.49Å; M1-L892 HydrophobicContact CE-CD2 4.33Å; M1-E910 HydrophobicContact CG-CB 3.77Å; M1-E910 WeakPolarHBondContact CG-OE2 3.41Å; M1-E910 HydrophobicContact SD-CB 4.39Å; M1-A911 HydrophobicContact CE-CB 3.7Å; M1-A911 HydrophobicContact SD-CB 4.05Å; M1-Q914 HydrophobicContact CB-CG 4.45Å; M1-Q914 HydrophobicContact CE-CB 4.03Å; M1-Q914 HydrophobicContact CE-CG 3.9Å | |||
| 2 | P | 62.2 | Low | 82.4 | Confident | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.019 | 20% | 0.199 | C | C | . | . | trans | -70.4 | 134.7 | -178 | 31 | -38.8 | 0 | 0 | 0 | 113.4 | F4 L13 S119 L892 V895 | P2-F4 HydrophobicContact CB-CE1 4.07Å; P2-F4 HydrophobicContact CB-CE2 4.02Å; P2-F4 HydrophobicContact CB-CZ 3.49Å; P2-F4 VanDerWaalsContact CB-CZ 3.49Å; P2-F4 HydrophobicContact CG-CE2 4.18Å; P2-F4 HydrophobicContact CG-CZ 3.82Å; P2-F4 WeakPolarHBondContact O-CE2 3.48Å; P2-L13 HydrophobicContact CB-CD1 4.24Å; P2-S119 WeakPolarHBondContact CA-OG 3.47Å; P2-L892 HydrophobicContact CG-CD2 4Å; P2-V895 HydrophobicContact CG-CG2 4.09Å | ||
| 3 | V | 73.7 | Confident | 82.8 | Confident | 25 Ų | 25 | 33.8 Ų | 33.8 | 15% | 0.152 | 18% | 0.183 | C | C | . | . | trans | -117.2 | 144.4 | -177.4 | -162.2 | 0 | 0 | 0 | 0 | 107.7 | M1 H5 I9 L123 T247 | M1-V3 WeakPolarHBondContact O-CG2 3.49Å; V3-H5 WeakPolarHBondContact CG1-ND1 3.44Å; V3-I9 WeakPolarHBondContact O-CG2 3.41Å; V3-L123 HydrophobicContact CB-CD1 4.47Å; V3-L123 HydrophobicContact CG2-CD1 4.14Å; V3-L123 HydrophobicContact CG2-CD2 4.04Å; V3-T247 HydrophobicContact CG1-CG2 4.35Å | ||
| 4 | F | 78.4 | Confident | 83 | Confident | 10 Ų | 10 | 36.5 Ų | 36.5 | 4% | 0.044 | 19% | 0.194 | C | C | . | . | trans | -137.3 | 28.2 | -170.7 | -48.4 | -81.3 | 0 | 0 | 0 | 112.6 | P2 T6 L13 T182 Q888 I891 L892 | P2-F4 HydrophobicContact CB-CE1 4.07Å; P2-F4 HydrophobicContact CB-CE2 4.02Å; P2-F4 HydrophobicContact CB-CZ 3.49Å; P2-F4 VanDerWaalsContact CB-CZ 3.49Å; P2-F4 HydrophobicContact CG-CE2 4.18Å; P2-F4 HydrophobicContact CG-CZ 3.82Å; P2-F4 WeakPolarHBondContact O-CE2 3.48Å; F4-T6 PolarHBondContact O-N 3.08Å; F4-L13 HydrophobicContact CD1-CD1 4.1Å; F4-L13 HydrophobicContact CE1-CB 4.23Å; F4-L13 HydrophobicContact CE1-CD1 3.74Å; F4-T182 WeakPolarHBondContact O-CG2 3.16Å; F4-T182 PolarHBondContact O-OG1 2.88Å; F4-Q888 HydrophobicContact CB-CG 3.7Å; F4-Q888 HydrophobicContact CD1-CG 4.46Å; F4-Q888 HydrophobicContact CD2-CB 4.12Å; F4-Q888 HydrophobicContact CD2-CG 3.6Å; F4-Q888 HydrophobicContact CE2-CB 4.36Å; F4-Q888 HydrophobicContact CE2-CG 4.3Å; F4-Q888 HydrophobicContact CG-CG 3.68Å; F4-I891 HydrophobicContact CD1-CD1 3.97Å; F4-I891 HydrophobicContact CE1-CB 4Å; F4-I891 HydrophobicContact CE1-CD1 3.37Å; F4-I891 HydrophobicContact CE1-CG1 4.26Å; F4-I891 HydrophobicContact CE1-CG2 3.71Å; F4-I891 HydrophobicContact CZ-CB 3.77Å; F4-I891 HydrophobicContact CZ-CD1 4.04Å; F4-I891 HydrophobicContact CZ-CG2 3.48Å; F4-I891 VanDerWaalsContact CZ-CG2 3.48Å; F4-L892 HydrophobicContact CE2-CD2 4.23Å; F4-L892 HydrophobicContact CE2-CG 4.18Å | ||
| 5 | H | 85.4 | Confident | 83.4 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.009 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -76.2 | -7.7 | -174.8 | 60.8 | -62.5 | 0 | 0 | 0 | 113.6 | V3 D126 L181 T182 | V3-H5 WeakPolarHBondContact CG1-ND1 3.44Å; H5-D126 IonicContact CD2-OD2 2.74Å; H5-D126 IonicContact CE1-OD2 2.87Å; H5-D126 PolarHBondContact CE1-OD2 2.76Å; H5-D126 IonicContact NE2-OD1 2.93Å; H5-D126 IonicContact NE2-OD2 3.24Å; H5-D126 PolarHBondContact NE2-OD2 3.36Å; H5-L181 WeakPolarHBondContact O-CA 3.29Å; H5-T182 VanDerWaalsContact C-OG1 3.26Å; H5-T182 WeakPolarHBondContact CA-OG1 3.45Å; H5-T182 PolarHBondContact O-N 3.47Å; H5-T182 PolarHBondContact O-OG1 2.88Å |
| 6 | T | 91.8 | Very high | 83.6 | Confident | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | B | Isolated β-bridge | trans | -127 | 147.8 | 174 | 73.9 | 0 | 0 | 0 | 0 | 112.9 | F4 T8 I9 E10 D126 E180 L181 T182 | F4-T6 PolarHBondContact O-N 3.08Å; T6-T8 VanDerWaalsContact C-N 3.26Å; T6-T8 PolarHBondContact O-N 2.9Å; T6-I9 HydrophobicContact CG2-CD1 4.4Å; T6-I9 PolarHBondContact O-N 3.18Å; T6-I9 WeakPolarHBondContact OG1-CD1 3.38Å; T6-I9 WeakPolarHBondContact OG1-CG1 3.35Å; T6-I9 PolarHBondContact OG1-N 3.42Å; T6-E10 PolarHBondContact O-N 2.94Å; T6-D126 WeakPolarHBondContact CG2-OD1 3.36Å; T6-E180 CarbonylContact C-O 3.56Å; T6-E180 WeakPolarHBondContact CA-O 3.19Å; T6-L181 HydrophobicContact CG2-CD2 4.4Å; T6-T182 VanDerWaalsContact C-CG2 3.48Å |
| 7 | K | 90.7 | Very high | 83.8 | Confident | 96 Ų | 96 | 35.2 Ų | 35.2 | 42% | 0.417 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60 | -38.8 | 178.2 | -68.7 | 173.3 | -176.7 | 167.3 | 0 | 111.3 | E10 S11 K179 E180 T182 | K7-E10 PolarHBondContact O-N 3.4Å; K7-S11 WeakPolarHBondContact O-CB 3.38Å; K7-S11 PolarHBondContact O-N 2.84Å; K7-S11 PolarHBondContact O-OG 3.31Å; K7-K179 WeakPolarHBondContact CE-O 3.41Å; K7-K179 PolarHBondContact NZ-O 3.03Å; K7-E180 PolarHBondContact N-O 3.44Å; K7-T182 HydrophobicContact CG-CG2 4.13Å |
| 8 | T | 91.6 | Very high | 84 | Confident | 66 Ų | 66 | 39.3 Ų | 39.3 | 41% | 0.405 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58.1 | -50.6 | 174.7 | -65.3 | 0 | 0 | 0 | 0 | 111 | T6 S11 I12 E180 | T6-T8 VanDerWaalsContact C-N 3.26Å; T6-T8 PolarHBondContact O-N 2.9Å; T8-S11 PolarHBondContact O-N 3.48Å; T8-S11 PolarHBondContact O-OG 2.72Å; T8-I12 HydrophobicContact CG2-CD1 4.02Å; T8-I12 WeakPolarHBondContact O-CG1 3.48Å; T8-I12 PolarHBondContact O-N 3.42Å; T8-E180 PolarHBondContact OG1-OE2 2.9Å |
| 9 | I | 91.2 | Very high | 84.2 | Confident | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.4 | -46.7 | 179.5 | -62.8 | 166.9 | 0 | 0 | 0 | 111.2 | V3 T6 S11 I12 L13 L122 D126 | V3-I9 WeakPolarHBondContact O-CG2 3.41Å; T6-I9 HydrophobicContact CG2-CD1 4.4Å; T6-I9 PolarHBondContact O-N 3.18Å; T6-I9 WeakPolarHBondContact OG1-CD1 3.38Å; T6-I9 WeakPolarHBondContact OG1-CG1 3.35Å; T6-I9 PolarHBondContact OG1-N 3.42Å; I9-S11 PolarHBondContact O-N 2.84Å; I9-I12 PolarHBondContact O-N 3.07Å; I9-L13 HydrophobicContact CG2-CD1 3.56Å; I9-L13 HydrophobicContact CG2-CG 4.06Å; I9-L13 WeakPolarHBondContact O-CB 3.2Å; I9-L13 WeakPolarHBondContact O-CG 3.47Å; I9-L13 PolarHBondContact O-N 3.13Å; I9-L122 HydrophobicContact CG1-CB 4.11Å; I9-L122 HydrophobicContact CG2-CD1 4.2Å; I9-D126 HydrophobicContact CD1-CB 4.15Å |
| 10 | E | 87.6 | Confident | 84.3 | Confident | 26 Ų | 26 | 40.7 Ų | 40.7 | 12% | 0.121 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.1 | -48.1 | 177.8 | -175.1 | 177.3 | -163.2 | 0 | 0 | 111.5 | T6 K7 I12 L13 E14 T182 T887 | T6-E10 PolarHBondContact O-N 2.94Å; K7-E10 PolarHBondContact O-N 3.4Å; E10-I12 PolarHBondContact O-N 2.87Å; E10-L13 PolarHBondContact O-N 2.72Å; E10-E14 WeakPolarHBondContact O-CB 3.47Å; E10-E14 PolarHBondContact O-N 3.27Å; E10-T182 WeakPolarHBondContact OE2-CG2 3.49Å; E10-T887 HydrophobicContact CG-CG2 4.14Å |
| 11 | S | 89.7 | Confident | 84.4 | Confident | 75 Ų | 75 | 39 Ų | 39 | 52% | 0.524 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.5 | -26.9 | -178 | 74 | 0 | 0 | 0 | 0 | 114.2 | K7 T8 I9 P15 | K7-S11 WeakPolarHBondContact O-CB 3.38Å; K7-S11 PolarHBondContact O-N 2.84Å; K7-S11 PolarHBondContact O-OG 3.31Å; T8-S11 PolarHBondContact O-N 3.48Å; T8-S11 PolarHBondContact O-OG 2.72Å; I9-S11 PolarHBondContact O-N 2.84Å; S11-P15 WeakPolarHBondContact O-CD 3.25Å; S11-P15 WeakPolarHBondContact O-CG 3.25Å |
| 12 | I | 89.8 | Confident | 86 | Confident | 64 Ų | 64 | 43 Ų | 43 | 33% | 0.328 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -89.3 | -43.2 | 178.5 | -63.4 | 169.3 | 0 | 0 | 0 | 110.5 | T8 I9 E10 P15 V16 T118 L122 | T8-I12 HydrophobicContact CG2-CD1 4.02Å; T8-I12 WeakPolarHBondContact O-CG1 3.48Å; T8-I12 PolarHBondContact O-N 3.42Å; I9-I12 PolarHBondContact O-N 3.07Å; E10-I12 PolarHBondContact O-N 2.87Å; I12-P15 WeakPolarHBondContact O-CD 3.34Å; I12-P15 WeakPolarHBondContact O-CG 3.34Å; I12-V16 VanDerWaalsContact O-CG2 3.27Å; I12-V16 WeakPolarHBondContact O-CG2 3.46Å; I12-T118 HydrophobicContact CG2-CG2 4.23Å; I12-L122 HydrophobicContact CB-CD1 3.94Å; I12-L122 HydrophobicContact CD1-CD1 4.35Å; I12-L122 HydrophobicContact CD1-CD2 3.69Å; I12-L122 HydrophobicContact CG2-CD1 3.8Å |
| 13 | L | 87.8 | Confident | 87.3 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -74.1 | -32.1 | -176.8 | -71.5 | -177.2 | 0 | 0 | 0 | 113.3 | P2 F4 I9 E10 V16 A17 L115 T118 L122 I891 | P2-L13 HydrophobicContact CB-CD1 4.24Å; F4-L13 HydrophobicContact CD1-CD1 4.1Å; F4-L13 HydrophobicContact CE1-CB 4.23Å; F4-L13 HydrophobicContact CE1-CD1 3.74Å; I9-L13 HydrophobicContact CG2-CD1 3.56Å; I9-L13 HydrophobicContact CG2-CG 4.06Å; I9-L13 WeakPolarHBondContact O-CB 3.2Å; I9-L13 WeakPolarHBondContact O-CG 3.47Å; I9-L13 PolarHBondContact O-N 3.13Å; E10-L13 PolarHBondContact O-N 2.72Å; L13-V16 PolarHBondContact O-N 3.35Å; L13-A17 VanDerWaalsContact O-CB 3.26Å; L13-A17 WeakPolarHBondContact O-CB 3.44Å; L13-A17 PolarHBondContact O-N 3.24Å; L13-L115 HydrophobicContact CD2-CD1 4.22Å; L13-T118 HydrophobicContact CD2-CG2 4Å; L13-L122 HydrophobicContact CD2-CD1 4.1Å; L13-L122 HydrophobicContact CG-CD1 4.01Å; L13-I891 HydrophobicContact CB-CD1 4.34Å |
| 14 | E | 86.3 | Confident | 87.9 | Confident | 71 Ų | 71 | 43 Ų | 43 | 33% | 0.332 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -57 | -54.4 | 178.2 | -179.8 | 169.7 | -152.6 | 0 | 0 | 113.1 | E10 V16 A17 Q18 T887 K890 I891 | E10-E14 WeakPolarHBondContact O-CB 3.47Å; E10-E14 PolarHBondContact O-N 3.27Å; E14-V16 VanDerWaalsContact C-N 3.32Å; E14-V16 PolarHBondContact O-N 2.98Å; E14-A17 PolarHBondContact O-N 3.3Å; E14-Q18 PolarHBondContact O-N 3.32Å; E14-T887 HydrophobicContact CB-CG2 4.16Å; E14-T887 HydrophobicContact CG-CG2 4.05Å; E14-K890 IonicContact OE1-NZ 3.09Å; E14-K890 PolarHBondContact OE1-NZ 2.9Å; E14-I891 HydrophobicContact CB-CD1 4.36Å |
| 15 | P | 87.9 | Confident | 88.4 | Confident | 55 Ų | 55 | 43.7 Ų | 43.7 | 36% | 0.357 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.6 | -33.6 | 178.2 | 24.4 | -33.8 | 0 | 0 | 0 | 112.8 | S11 I12 Q18 Q19 | S11-P15 WeakPolarHBondContact O-CD 3.25Å; S11-P15 WeakPolarHBondContact O-CG 3.25Å; I12-P15 WeakPolarHBondContact O-CD 3.34Å; I12-P15 WeakPolarHBondContact O-CG 3.34Å; P15-Q18 PolarHBondContact O-N 3.45Å; P15-Q19 WeakPolarHBondContact O-CG 3.46Å; P15-Q19 PolarHBondContact O-N 2.94Å; P15-Q19 VanDerWaalsContact O-N 3.1Å |
| 16 | V | 87.5 | Confident | 88.6 | Confident | 29 Ų | 29 | 45.7 Ų | 45.7 | 18% | 0.176 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.5 | -48.6 | 176 | 174 | 0 | 0 | 0 | 0 | 110.3 | I12 L13 E14 Q18 Q19 V20 I114 L115 | I12-V16 VanDerWaalsContact O-CG2 3.27Å; I12-V16 WeakPolarHBondContact O-CG2 3.46Å; L13-V16 PolarHBondContact O-N 3.35Å; E14-V16 VanDerWaalsContact C-N 3.32Å; E14-V16 PolarHBondContact O-N 2.98Å; V16-Q18 VanDerWaalsContact C-N 3.29Å; V16-Q18 PolarHBondContact O-N 3.28Å; V16-Q19 PolarHBondContact O-N 3.01Å; V16-Q19 VanDerWaalsContact O-N 3.15Å; V16-V20 WeakPolarHBondContact O-CG2 3.36Å; V16-V20 PolarHBondContact O-N 3.03Å; V16-I114 HydrophobicContact CG1-CG2 4.18Å; V16-L115 HydrophobicContact CG1-CD1 4.06Å |
| 17 | A | 86.9 | Confident | 88.4 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 3% | 0.025 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.1 | -37 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L13 E14 Q19 V20 S21 L115 I891 | L13-A17 VanDerWaalsContact O-CB 3.26Å; L13-A17 WeakPolarHBondContact O-CB 3.44Å; L13-A17 PolarHBondContact O-N 3.24Å; E14-A17 PolarHBondContact O-N 3.3Å; A17-Q19 VanDerWaalsContact C-N 3.33Å; A17-Q19 PolarHBondContact O-N 3.45Å; A17-V20 PolarHBondContact O-N 3.43Å; A17-S21 VanDerWaalsContact O-CB 3.26Å; A17-S21 WeakPolarHBondContact O-CB 3.46Å; A17-S21 PolarHBondContact O-N 3.34Å; A17-L115 HydrophobicContact CB-CD1 4.05Å; A17-L115 HydrophobicContact CB-CD2 4.43Å; A17-I891 HydrophobicContact CB-CB 4.14Å; A17-I891 HydrophobicContact CB-CG1 3.73Å; A17-I891 HydrophobicContact CB-CG2 3.84Å |
| 18 | Q | 87.7 | Confident | 88.3 | Confident | 110 Ų | 110 | 42.3 Ų | 42.3 | 51% | 0.514 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.6 | -39.8 | 175 | -167.3 | -175.4 | 22.8 | 0 | 0 | 112 | E14 P15 V16 R22 | E14-Q18 PolarHBondContact O-N 3.32Å; P15-Q18 PolarHBondContact O-N 3.45Å; V16-Q18 VanDerWaalsContact C-N 3.29Å; V16-Q18 PolarHBondContact O-N 3.28Å; Q18-R22 WeakPolarHBondContact O-CG 3.23Å; Q18-R22 PolarHBondContact O-N 3.42Å |
| 19 | Q | 86.7 | Confident | 88.1 | Confident | 100 Ų | 100 | 42.1 Ų | 42.1 | 47% | 0.467 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -68.2 | -43.9 | 175.5 | -69.3 | 179.3 | 41.8 | 0 | 0 | 111.6 | P15 V16 A17 S21 R22 L23 | P15-Q19 WeakPolarHBondContact O-CG 3.46Å; P15-Q19 PolarHBondContact O-N 2.94Å; P15-Q19 VanDerWaalsContact O-N 3.1Å; V16-Q19 PolarHBondContact O-N 3.01Å; V16-Q19 VanDerWaalsContact O-N 3.15Å; A17-Q19 VanDerWaalsContact C-N 3.33Å; A17-Q19 PolarHBondContact O-N 3.45Å; Q19-S21 VanDerWaalsContact C-N 3.33Å; Q19-S21 PolarHBondContact O-N 3Å; Q19-R22 WeakPolarHBondContact O-CB 3.45Å; Q19-R22 PolarHBondContact O-N 3.13Å; Q19-R22 VanDerWaalsContact O-N 3.16Å; Q19-L23 PolarHBondContact O-N 2.66Å; Q19-L23 VanDerWaalsContact O-N 3.17Å |
| 20 | V | 87 | Confident | 87.9 | Confident | 6 Ų | 6 | 42 Ų | 42 | 4% | 0.036 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.7 | -42.9 | 175.3 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | V16 A17 R22 L23 V24 A111 L115 T894 T898 | V16-V20 WeakPolarHBondContact O-CG2 3.36Å; V16-V20 PolarHBondContact O-N 3.03Å; A17-V20 PolarHBondContact O-N 3.43Å; V20-R22 VanDerWaalsContact C-N 3.28Å; V20-R22 PolarHBondContact O-N 3.07Å; V20-L23 WeakPolarHBondContact O-CB 3.37Å; V20-L23 PolarHBondContact O-N 3.43Å; V20-V24 HydrophobicContact CG1-CG2 4.32Å; V20-V24 WeakPolarHBondContact O-CG2 3.32Å; V20-V24 PolarHBondContact O-N 2.93Å; V20-A111 HydrophobicContact CG1-CB 4.02Å; V20-A111 HydrophobicContact CG2-CB 4.28Å; V20-A111 WeakPolarHBondContact CG2-O 3.49Å; V20-L115 HydrophobicContact CG2-CB 4.32Å; V20-T894 HydrophobicContact CB-CG2 4.27Å; V20-T894 HydrophobicContact CG1-CG2 3.86Å; V20-T898 HydrophobicContact CG1-CG2 4.13Å |
| 21 | S | 87 | Confident | 87.8 | Confident | 6 Ų | 6 | 45.2 Ų | 45.2 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -54.7 | -42.6 | 174.5 | 172.6 | 0 | 0 | 0 | 0 | 112 | A17 Q19 V24 I25 I842 | A17-S21 VanDerWaalsContact O-CB 3.26Å; A17-S21 WeakPolarHBondContact O-CB 3.46Å; A17-S21 PolarHBondContact O-N 3.34Å; Q19-S21 VanDerWaalsContact C-N 3.33Å; Q19-S21 PolarHBondContact O-N 3Å; S21-V24 PolarHBondContact O-N 2.79Å; S21-I25 VanDerWaalsContact O-CG1 3.28Å; S21-I25 WeakPolarHBondContact O-CG1 3.37Å; S21-I25 PolarHBondContact O-N 2.91Å; S21-I842 WeakPolarHBondContact OG-CG2 3.42Å |
| 22 | R | 89.3 | Confident | 87.6 | Confident | 148 Ų | 148 | 47.3 Ų | 47.3 | 56% | 0.558 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -63.4 | -40.9 | 175.3 | -67.6 | 173.3 | -173.8 | 174.5 | 4.3 | 112.1 | Q18 Q19 V20 I25 L26 | Q18-R22 WeakPolarHBondContact O-CG 3.23Å; Q18-R22 PolarHBondContact O-N 3.42Å; Q19-R22 WeakPolarHBondContact O-CB 3.45Å; Q19-R22 PolarHBondContact O-N 3.13Å; Q19-R22 VanDerWaalsContact O-N 3.16Å; V20-R22 VanDerWaalsContact C-N 3.28Å; V20-R22 PolarHBondContact O-N 3.07Å; R22-I25 PolarHBondContact O-N 2.7Å; R22-L26 WeakPolarHBondContact O-CG 3.33Å; R22-L26 PolarHBondContact O-N 3.08Å |
| 23 | L | 88.6 | Confident | 87.3 | Confident | 29 Ų | 29 | 46.4 Ų | 46.4 | 15% | 0.152 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.5 | -38.7 | 176.8 | -64.3 | 178.6 | 0 | 0 | 0 | 112.2 | Q19 V20 L26 H27 L39 L87 L107 A111 | Q19-L23 PolarHBondContact O-N 2.66Å; Q19-L23 VanDerWaalsContact O-N 3.17Å; V20-L23 WeakPolarHBondContact O-CB 3.37Å; V20-L23 PolarHBondContact O-N 3.43Å; L23-L26 PolarHBondContact O-N 3.06Å; L23-H27 WeakPolarHBondContact O-CB 3.48Å; L23-H27 PolarHBondContact O-N 3.23Å; L23-L39 HydrophobicContact CD2-CD1 4.39Å; L23-L39 HydrophobicContact CD2-CD2 4.36Å; L23-L87 HydrophobicContact CD1-CD2 4.44Å; L23-L107 HydrophobicContact CD1-CD1 4.46Å; L23-L107 HydrophobicContact CD2-CD1 4.34Å; L23-A111 HydrophobicContact CB-CB 4.42Å; L23-A111 HydrophobicContact CD1-CB 3.9Å |
| 24 | V | 87.4 | Confident | 87.3 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.4 | -41 | 175.8 | 177.9 | 0 | 0 | 0 | 0 | 111.3 | V20 S21 H27 E28 I108 K838 I842 A897 T898 | V20-V24 HydrophobicContact CG1-CG2 4.32Å; V20-V24 WeakPolarHBondContact O-CG2 3.32Å; V20-V24 PolarHBondContact O-N 2.93Å; S21-V24 PolarHBondContact O-N 2.79Å; V24-H27 WeakPolarHBondContact O-CB 3.43Å; V24-H27 PolarHBondContact O-N 2.85Å; V24-E28 PolarHBondContact O-N 3.35Å; V24-I108 HydrophobicContact CB-CD1 4.22Å; V24-I108 HydrophobicContact CG1-CD1 4.4Å; V24-I108 HydrophobicContact CG2-CD1 3.84Å; V24-K838 HydrophobicContact CG1-CB 3.83Å; V24-K838 HydrophobicContact CG1-CD 4.16Å; V24-I842 HydrophobicContact CB-CD1 3.81Å; V24-I842 HydrophobicContact CG1-CD1 3.65Å; V24-A897 HydrophobicContact CG1-CB 4.15Å; V24-T898 HydrophobicContact CG2-CG2 3.56Å |
| 25 | I | 88.4 | Confident | 87.4 | Confident | 25 Ų | 25 | 50 Ų | 50 | 13% | 0.128 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.3 | -46.9 | 176.2 | -67.2 | 163.8 | 0 | 0 | 0 | 110.7 | S21 R22 H27 E28 E29 K839 I842 | S21-I25 VanDerWaalsContact O-CG1 3.28Å; S21-I25 WeakPolarHBondContact O-CG1 3.37Å; S21-I25 PolarHBondContact O-N 2.91Å; R22-I25 PolarHBondContact O-N 2.7Å; I25-H27 VanDerWaalsContact C-N 3.3Å; I25-H27 PolarHBondContact O-N 3.23Å; I25-E28 PolarHBondContact O-N 3.33Å; I25-E29 HydrophobicContact CG2-CG 4.37Å; I25-E29 WeakPolarHBondContact O-CG 3.48Å; I25-E29 PolarHBondContact O-N 3.03Å; I25-K839 HydrophobicContact CG1-CG 4.45Å; I25-K839 HydrophobicContact CG2-CD 4.23Å; I25-K839 HydrophobicContact CG2-CG 4.44Å; I25-I842 HydrophobicContact CD1-CG2 4.19Å; I25-I842 HydrophobicContact CG1-CD1 4.35Å |
| 26 | L | 89.3 | Confident | 87.5 | Confident | 44 Ų | 44 | 47.9 Ų | 47.9 | 23% | 0.23 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.6 | -40.5 | 177.4 | -71.5 | 174.7 | 0 | 0 | 0 | 112.1 | R22 L23 E29 A30 M36 P37 L39 | R22-L26 WeakPolarHBondContact O-CG 3.33Å; R22-L26 PolarHBondContact O-N 3.08Å; L23-L26 PolarHBondContact O-N 3.06Å; L26-E29 PolarHBondContact O-N 3.46Å; L26-A30 WeakPolarHBondContact O-CB 3.42Å; L26-A30 PolarHBondContact O-N 3.28Å; L26-M36 HydrophobicContact CB-CE 4.03Å; L26-M36 HydrophobicContact CB-SD 4.1Å; L26-M36 VanDerWaalsContact O-SD 3.4Å; L26-P37 HydrophobicContact CD1-CG 3.99Å; L26-P37 HydrophobicContact CD2-CG 3.9Å; L26-L39 HydrophobicContact CD1-CD2 4.09Å |
| 27 | H | 89.1 | Confident | 87.6 | Confident | 11 Ų | 11 | 49.4 Ų | 49.4 | 5% | 0.051 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.4 | -45.3 | 175 | 167.6 | 94.6 | 0 | 0 | 0 | 111.9 | L23 V24 I25 A30 E31 R104 I108 K838 | L23-H27 WeakPolarHBondContact O-CB 3.48Å; L23-H27 PolarHBondContact O-N 3.23Å; V24-H27 WeakPolarHBondContact O-CB 3.43Å; V24-H27 PolarHBondContact O-N 2.85Å; I25-H27 VanDerWaalsContact C-N 3.3Å; I25-H27 PolarHBondContact O-N 3.23Å; H27-A30 PolarHBondContact O-N 3.35Å; H27-E31 IonicContact CE1-OE1 2.86Å; H27-E31 IonicContact NE2-OE1 3.96Å; H27-E31 PolarHBondContact NE2-OE1 3.45Å; H27-E31 IonicContact NE2-OE2 2.92Å; H27-E31 PolarHBondContact O-N 3.22Å; H27-R104 PolarHBondContact ND1-O 3.01Å; H27-R104 VanDerWaalsContact ND1-O 3.11Å; H27-I108 HydrophobicContact CB-CD1 3.64Å; H27-I108 HydrophobicContact CB-CG1 3.95Å; H27-I108 VanDerWaalsContact ND1-CG1 3.27Å; H27-I108 WeakPolarHBondContact ND1-CG1 3.39Å; H27-K838 PolarHBondContact CD2-NZ 3.26Å; H27-K838 VanDerWaalsContact CD2-NZ 3.32Å; H27-K838 PolarHBondContact NE2-NZ 3.18Å |
| 28 | E | 87.1 | Confident | 87.8 | Confident | 17 Ų | 17 | 54.2 Ų | 54.2 | 8% | 0.079 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.9 | -43.9 | 178.8 | -156.6 | 76.5 | 167.6 | 0 | 0 | 111.8 | V24 I25 A30 E31 D32 T837 K838 K839 | V24-E28 PolarHBondContact O-N 3.35Å; I25-E28 PolarHBondContact O-N 3.33Å; E28-A30 PolarHBondContact O-N 3.25Å; E28-E31 WeakPolarHBondContact O-CA 3.36Å; E28-E31 WeakPolarHBondContact O-CB 3.42Å; E28-E31 PolarHBondContact O-N 3.26Å; E28-D32 PolarHBondContact O-N 3.03Å; E28-T837 HydrophobicContact CG-CG2 4.42Å; E28-T837 WeakPolarHBondContact OE1-CB 3.16Å; E28-K838 PolarHBondContact OE1-N 3.45Å; E28-K838 VanDerWaalsContact OE1-N 3.1Å; E28-K838 WeakPolarHBondContact OE2-CB 3.44Å; E28-K838 VanDerWaalsContact OE2-CD 3.28Å; E28-K838 WeakPolarHBondContact OE2-CD 3.16Å; E28-K838 VanDerWaalsContact OE2-CG 3.29Å; E28-K838 WeakPolarHBondContact OE2-CG 3.21Å; E28-K838 IonicContact OE2-NZ 2.92Å; E28-K838 PolarHBondContact OE2-NZ 3.38Å; E28-K839 HydrophobicContact CB-CB 4.36Å; E28-K839 HydrophobicContact CG-CB 4.25Å |
| 29 | E | 88.2 | Confident | 87.9 | Confident | 62 Ų | 62 | 49.4 Ų | 49.4 | 29% | 0.29 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.5 | -33.4 | 176 | -72.8 | 176.2 | 173.1 | 0 | 0 | 111.7 | I25 L26 D32 N34 K839 | I25-E29 HydrophobicContact CG2-CG 4.37Å; I25-E29 WeakPolarHBondContact O-CG 3.48Å; I25-E29 PolarHBondContact O-N 3.03Å; L26-E29 PolarHBondContact O-N 3.46Å; E29-D32 PolarHBondContact O-N 3.12Å; E29-N34 VanDerWaalsContact O-CB 3.23Å; E29-N34 WeakPolarHBondContact O-CB 3.48Å; E29-N34 PolarHBondContact O-N 3.39Å; E29-N34 PolarHBondContact O-ND2 3.36Å; E29-K839 IonicContact OE1-NZ 3.23Å; E29-K839 PolarHBondContact OE1-NZ 2.91Å |
| 30 | A | 87.6 | Confident | 88 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -73.3 | -33.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L26 H27 E28 D32 G33 N34 M36 R104 | L26-A30 WeakPolarHBondContact O-CB 3.42Å; L26-A30 PolarHBondContact O-N 3.28Å; H27-A30 PolarHBondContact O-N 3.35Å; E28-A30 PolarHBondContact O-N 3.25Å; A30-D32 PolarHBondContact O-N 3.39Å; A30-G33 PolarHBondContact O-N 2.88Å; A30-N34 VanDerWaalsContact CA-O 3.28Å; A30-N34 WeakPolarHBondContact CA-O 3.46Å; A30-M36 HydrophobicContact CB-CG 3.66Å; A30-M36 HydrophobicContact CB-SD 3.66Å; A30-R104 PolarHBondContact O-NH1 2.9Å |
| 31 | E | 84.7 | Confident | 88.2 | Confident | 93 Ų | 93 | 57.5 Ų | 57.5 | 44% | 0.435 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.1 | -33.5 | 170.8 | -73.7 | -168.2 | 149.8 | 0 | 0 | 111.9 | H27 E28 G33 K838 | H27-E31 IonicContact CE1-OE1 2.86Å; H27-E31 IonicContact NE2-OE1 3.96Å; H27-E31 PolarHBondContact NE2-OE1 3.45Å; H27-E31 IonicContact NE2-OE2 2.92Å; H27-E31 PolarHBondContact O-N 3.22Å; E28-E31 WeakPolarHBondContact O-CA 3.36Å; E28-E31 WeakPolarHBondContact O-CB 3.42Å; E28-E31 PolarHBondContact O-N 3.26Å; E31-G33 PolarHBondContact O-N 3.02Å; E31-K838 IonicContact OE1-NZ 2.92Å; E31-K838 IonicContact OE2-NZ 2.7Å; E31-K838 PolarHBondContact OE2-NZ 3.21Å |
| 32 | D | 84.8 | Confident | 88.3 | Confident | 119 Ų | 119 | 60.3 Ų | 60.3 | 64% | 0.636 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | 1.3 | 172.2 | -68.7 | -27.5 | 0 | 0 | 0 | 114.3 | E28 E29 A30 | E28-D32 PolarHBondContact O-N 3.03Å; E29-D32 PolarHBondContact O-N 3.12Å; A30-D32 PolarHBondContact O-N 3.39Å |
| 33 | G | 84.3 | Confident | 88.2 | Confident | 46 Ų | 46 | 53.7 Ų | 53.7 | 47% | 0.474 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.6 | 9.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115 | A30 E31 | A30-G33 PolarHBondContact O-N 2.88Å; E31-G33 PolarHBondContact O-N 3.02Å |
| 34 | N | 88.4 | Confident | 88.3 | Confident | 92 Ų | 92 | 56.1 Ų | 56.1 | 49% | 0.492 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -76.8 | 150.1 | 169.7 | -59.5 | -64.3 | 0 | 0 | 0 | 111.2 | E29 A30 | E29-N34 VanDerWaalsContact O-CB 3.23Å; E29-N34 WeakPolarHBondContact O-CB 3.48Å; E29-N34 PolarHBondContact O-N 3.39Å; E29-N34 PolarHBondContact O-ND2 3.36Å; A30-N34 VanDerWaalsContact CA-O 3.28Å; A30-N34 WeakPolarHBondContact CA-O 3.46Å |
| 35 | A | 87.8 | Confident | 88.3 | Confident | 54 Ų | 54 | 58.6 Ų | 58.6 | 45% | 0.446 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 134.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | P98 Y99 | A35-P98 HydrophobicContact CB-CB 3.96Å; A35-Y99 HydrophobicContact CB-CE1 4.33Å; A35-Y99 HydrophobicContact CB-CE2 4.38Å |
| 36 | M | 89.4 | Confident | 88.3 | Confident | 10 Ų | 10 | 58.8 Ų | 58.8 | 5% | 0.049 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -63 | 132.7 | 172.1 | -86.4 | -60 | -55.8 | 0 | 0 | 111.3 | L26 A30 L39 L94 P98 R104 L107 | L26-M36 HydrophobicContact CB-CE 4.03Å; L26-M36 HydrophobicContact CB-SD 4.1Å; L26-M36 VanDerWaalsContact O-SD 3.4Å; A30-M36 HydrophobicContact CB-CG 3.66Å; A30-M36 HydrophobicContact CB-SD 3.66Å; M36-L39 HydrophobicContact CE-CD1 3.65Å; M36-L39 HydrophobicContact CE-CD2 4.33Å; M36-L39 HydrophobicContact CE-CG 4.11Å; M36-L94 HydrophobicContact CB-CB 4.44Å; M36-L94 HydrophobicContact CB-CD1 4.44Å; M36-L94 HydrophobicContact CB-CD2 4.06Å; M36-L94 HydrophobicContact CE-CD1 4.15Å; M36-L94 HydrophobicContact CG-CD1 4.15Å; M36-L94 HydrophobicContact CG-CD2 3.82Å; M36-P98 WeakPolarHBondContact CB-O 3.45Å; M36-P98 PolarHBondContact N-O 3.25Å; M36-P98 VanDerWaalsContact N-O 3.15Å; M36-R104 HydrophobicContact CG-CG 4.36Å; M36-L107 HydrophobicContact CE-CD2 3.85Å |
| 37 | P | 90.9 | Very high | 88.2 | Confident | 61 Ų | 61 | 56.8 Ų | 56.8 | 40% | 0.396 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -69 | 161.3 | 173.7 | 28.9 | -36.5 | 0 | 0 | 0 | 112 | L26 L39 | L26-P37 HydrophobicContact CD1-CG 3.99Å; L26-P37 HydrophobicContact CD2-CG 3.9Å; P37-L39 HydrophobicContact CG-CD2 4.33Å; P37-L39 PolarHBondContact O-N 3.06Å; P37-L39 VanDerWaalsContact O-N 3.16Å |
| 38 | D | 90.1 | Very high | 88.3 | Confident | 104 Ų | 104 | 62.8 Ų | 62.8 | 56% | 0.556 | 34% | 0.339 | S | S | * | . | trans | -66 | 112.8 | 173.5 | -177.1 | 2 | 0 | 0 | 0 | 111 | T40 | D38-T40 WeakPolarHBondContact OD1-CB 3.49Å; D38-T40 PolarHBondContact OD1-N 2.87Å; D38-T40 PolarHBondContact OD1-OG1 3.25Å | ||
| 39 | L | 90 | Very high | 88.4 | Confident | 9 Ų | 9 | 64.9 Ų | 64.9 | 5% | 0.047 | 36% | 0.359 | C | S | . | . | trans | -93.9 | 6.1 | -179.3 | -60.4 | -178.9 | 0 | 0 | 0 | 113.6 | L23 L26 M36 P37 R41 P42 V43 L94 L107 | L23-L39 HydrophobicContact CD2-CD1 4.39Å; L23-L39 HydrophobicContact CD2-CD2 4.36Å; L26-L39 HydrophobicContact CD1-CD2 4.09Å; M36-L39 HydrophobicContact CE-CD1 3.65Å; M36-L39 HydrophobicContact CE-CD2 4.33Å; M36-L39 HydrophobicContact CE-CG 4.11Å; P37-L39 HydrophobicContact CG-CD2 4.33Å; P37-L39 PolarHBondContact O-N 3.06Å; P37-L39 VanDerWaalsContact O-N 3.16Å; L39-R41 VanDerWaalsContact C-N 3.34Å; L39-R41 PolarHBondContact O-N 3.35Å; L39-P42 HydrophobicContact CB-CG 4.34Å; L39-P42 HydrophobicContact CD2-CG 4.32Å; L39-P42 WeakPolarHBondContact O-CD 3.48Å; L39-P42 VanDerWaalsContact O-CG 3.25Å; L39-P42 WeakPolarHBondContact O-CG 3.38Å; L39-V43 HydrophobicContact CB-CG2 4.01Å; L39-V43 WeakPolarHBondContact O-CB 3.32Å; L39-V43 WeakPolarHBondContact O-CG2 3.4Å; L39-V43 PolarHBondContact O-N 3.03Å; L39-L94 HydrophobicContact CD1-CD1 4.31Å; L39-L107 HydrophobicContact CD1-CD1 3.6Å; L39-L107 HydrophobicContact CD1-CD2 3.84Å; L39-L107 HydrophobicContact CD1-CG 4.39Å | ||
| 40 | T | 89.6 | Confident | 88.4 | Confident | 55 Ų | 55 | 62.4 Ų | 62.4 | 34% | 0.337 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -56.5 | -46.6 | -172.8 | -54.9 | 0 | 0 | 0 | 0 | 111.8 | D38 D44 C91 | D38-T40 WeakPolarHBondContact OD1-CB 3.49Å; D38-T40 PolarHBondContact OD1-N 2.87Å; D38-T40 PolarHBondContact OD1-OG1 3.25Å; T40-D44 WeakPolarHBondContact O-CB 3.36Å; T40-D44 PolarHBondContact O-N 2.95Å; T40-C91 WeakPolarHBondContact CA-SG 3.41Å; T40-C91 PolarHBondContact N-SG 2.94Å |
| 41 | R | 89.6 | Confident | 88.5 | Confident | 221 Ų | 221 | 68.5 Ų | 68.5 | 83% | 0.834 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -66.6 | -51.3 | -179.6 | -70.5 | -175.8 | 176.3 | -174 | -0.4 | 113.9 | L39 A45 | L39-R41 VanDerWaalsContact C-N 3.34Å; L39-R41 PolarHBondContact O-N 3.35Å; R41-A45 PolarHBondContact O-N 3.01Å |
| 42 | P | 88.9 | Confident | 88.8 | Confident | 65 Ų | 65 | 69.4 Ų | 69.4 | 42% | 0.422 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.6 | -38.2 | 179.1 | 22 | -32.2 | 0 | 0 | 0 | 112.7 | L39 A45 V46 | L39-P42 HydrophobicContact CB-CG 4.34Å; L39-P42 HydrophobicContact CD2-CG 4.32Å; L39-P42 WeakPolarHBondContact O-CD 3.48Å; L39-P42 VanDerWaalsContact O-CG 3.25Å; L39-P42 WeakPolarHBondContact O-CG 3.38Å; P42-A45 PolarHBondContact O-N 3.3Å; P42-V46 WeakPolarHBondContact O-CG2 3.26Å; P42-V46 PolarHBondContact O-N 3.41Å; P42-V46 VanDerWaalsContact O-N 3.09Å |
| 43 | V | 89.1 | Confident | 89 | Confident | 9 Ų | 9 | 66.5 Ų | 66.5 | 6% | 0.055 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.2 | -42.4 | 178.3 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | L39 A45 V46 S47 L87 E88 C91 | L39-V43 HydrophobicContact CB-CG2 4.01Å; L39-V43 WeakPolarHBondContact O-CB 3.32Å; L39-V43 WeakPolarHBondContact O-CG2 3.4Å; L39-V43 PolarHBondContact O-N 3.03Å; V43-A45 VanDerWaalsContact C-N 3.27Å; V43-A45 PolarHBondContact O-N 2.81Å; V43-V46 PolarHBondContact O-N 3.28Å; V43-V46 VanDerWaalsContact O-N 3.08Å; V43-S47 PolarHBondContact O-N 2.96Å; V43-S47 PolarHBondContact O-OG 3.04Å; V43-L87 HydrophobicContact CG1-CB 4Å; V43-L87 HydrophobicContact CG2-CB 4.49Å; V43-E88 HydrophobicContact CG1-CG 3.95Å; V43-C91 HydrophobicContact CB-CB 4.44Å; V43-C91 HydrophobicContact CG1-CB 4.4Å; V43-C91 HydrophobicContact CG2-CB 4.25Å |
| 44 | D | 89 | Confident | 89.3 | Confident | 80 Ų | 80 | 65 Ų | 65 | 43% | 0.428 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.5 | -36.3 | 174.6 | 176.8 | 76.6 | 0 | 0 | 0 | 113 | T40 R48 | T40-D44 WeakPolarHBondContact O-CB 3.36Å; T40-D44 PolarHBondContact O-N 2.95Å; D44-R48 WeakPolarHBondContact O-CG 3.44Å; D44-R48 PolarHBondContact O-N 3Å; D44-R48 VanDerWaalsContact O-N 3.08Å; D44-R48 PolarHBondContact O-NE 3.43Å; D44-R48 IonicContact OD2-CZ 3.28Å; D44-R48 VanDerWaalsContact OD2-CZ 3.28Å; D44-R48 IonicContact OD2-NE 3.05Å; D44-R48 PolarHBondContact OD2-NE 3.24Å; D44-R48 IonicContact OD2-NH2 2.77Å; D44-R48 PolarHBondContact OD2-NH2 2.92Å |
| 45 | A | 88.5 | Confident | 89.5 | Confident | 52 Ų | 52 | 66.4 Ų | 66.4 | 43% | 0.43 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.6 | -40.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R41 P42 V43 A49 | R41-A45 PolarHBondContact O-N 3.01Å; P42-A45 PolarHBondContact O-N 3.3Å; V43-A45 VanDerWaalsContact C-N 3.27Å; V43-A45 PolarHBondContact O-N 2.81Å; A45-A49 WeakPolarHBondContact O-CB 3.48Å; A45-A49 PolarHBondContact O-N 3.45Å; A45-A49 VanDerWaalsContact O-N 3.11Å |
| 46 | V | 87.5 | Confident | 89.7 | Confident | 29 Ų | 29 | 67.6 Ų | 67.6 | 18% | 0.176 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.3 | -46.8 | 174.5 | 173.4 | 0 | 0 | 0 | 0 | 110.4 | P42 V43 R48 A49 V50 L87 I114 | P42-V46 WeakPolarHBondContact O-CG2 3.26Å; P42-V46 PolarHBondContact O-N 3.41Å; P42-V46 VanDerWaalsContact O-N 3.09Å; V43-V46 PolarHBondContact O-N 3.28Å; V43-V46 VanDerWaalsContact O-N 3.08Å; V46-R48 PolarHBondContact O-N 3.36Å; V46-A49 WeakPolarHBondContact O-CB 3.43Å; V46-A49 PolarHBondContact O-N 2.96Å; V46-A49 VanDerWaalsContact O-N 3.1Å; V46-V50 HydrophobicContact CG1-CG2 4.16Å; V46-V50 WeakPolarHBondContact O-CG2 3.21Å; V46-V50 PolarHBondContact O-N 3.08Å; V46-L87 HydrophobicContact CG1-CD1 4.09Å; V46-I114 HydrophobicContact CG1-CD1 4.44Å |
| 47 | S | 88.6 | Confident | 89.8 | Confident | 3 Ų | 3 | 67.2 Ų | 67.2 | 2% | 0.021 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58 | -47.3 | 178.6 | -66.6 | 0 | 0 | 0 | 0 | 112.3 | V43 A49 V50 E51 S84 E88 | V43-S47 PolarHBondContact O-N 2.96Å; V43-S47 PolarHBondContact O-OG 3.04Å; S47-A49 VanDerWaalsContact C-N 3.3Å; S47-A49 PolarHBondContact O-N 3.29Å; S47-V50 PolarHBondContact O-N 3.14Å; S47-E51 WeakPolarHBondContact O-CG 3.48Å; S47-E51 PolarHBondContact O-N 2.98Å; S47-S84 WeakPolarHBondContact CA-OG 3.36Å; S47-S84 PolarHBondContact OG-OG 3.43Å; S47-E88 WeakPolarHBondContact CB-OE1 3.42Å; S47-E88 WeakPolarHBondContact OG-CG 3.18Å; S47-E88 PolarHBondContact OG-OE1 3.24Å |
| 48 | R | 90.1 | Very high | 89.9 | Confident | 137 Ų | 137 | 67.4 Ų | 67.4 | 52% | 0.517 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.5 | -35.9 | 175.5 | -74.7 | -174.2 | -76.5 | 154.3 | -7.2 | 113.2 | D44 V46 N52 | D44-R48 WeakPolarHBondContact O-CG 3.44Å; D44-R48 PolarHBondContact O-N 3Å; D44-R48 VanDerWaalsContact O-N 3.08Å; D44-R48 PolarHBondContact O-NE 3.43Å; D44-R48 IonicContact OD2-CZ 3.28Å; D44-R48 VanDerWaalsContact OD2-CZ 3.28Å; D44-R48 IonicContact OD2-NE 3.05Å; D44-R48 PolarHBondContact OD2-NE 3.24Å; D44-R48 IonicContact OD2-NH2 2.77Å; D44-R48 PolarHBondContact OD2-NH2 2.92Å; V46-R48 PolarHBondContact O-N 3.36Å; R48-N52 PolarHBondContact O-N 3.01Å; R48-N52 PolarHBondContact O-ND2 3.42Å |
| 49 | A | 88.7 | Confident | 90 | Very high | 60 Ų | 60 | 66.5 Ų | 66.5 | 50% | 0.496 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -68.5 | -41.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A45 V46 S47 N52 L53 | A45-A49 WeakPolarHBondContact O-CB 3.48Å; A45-A49 PolarHBondContact O-N 3.45Å; A45-A49 VanDerWaalsContact O-N 3.11Å; V46-A49 WeakPolarHBondContact O-CB 3.43Å; V46-A49 PolarHBondContact O-N 2.96Å; V46-A49 VanDerWaalsContact O-N 3.1Å; S47-A49 VanDerWaalsContact C-N 3.3Å; S47-A49 PolarHBondContact O-N 3.29Å; A49-N52 PolarHBondContact O-N 3.2Å; A49-L53 WeakPolarHBondContact O-CB 3.45Å; A49-L53 PolarHBondContact O-N 3.07Å |
| 50 | V | 88.7 | Confident | 90 | Very high | 11 Ų | 11 | 68.2 Ų | 68.2 | 7% | 0.067 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.5 | -44.4 | 176.2 | 168.3 | 0 | 0 | 0 | 0 | 111.3 | V46 S47 N52 L53 V54 V80 I114 | V46-V50 HydrophobicContact CG1-CG2 4.16Å; V46-V50 WeakPolarHBondContact O-CG2 3.21Å; V46-V50 PolarHBondContact O-N 3.08Å; S47-V50 PolarHBondContact O-N 3.14Å; V50-N52 VanDerWaalsContact C-N 3.33Å; V50-N52 PolarHBondContact O-N 3.35Å; V50-L53 WeakPolarHBondContact O-CB 3.46Å; V50-L53 PolarHBondContact O-N 2.89Å; V50-L53 VanDerWaalsContact O-N 3.17Å; V50-V54 HydrophobicContact CG1-CG2 4.02Å; V50-V54 WeakPolarHBondContact O-CB 3.47Å; V50-V54 VanDerWaalsContact O-CG2 3.23Å; V50-V54 WeakPolarHBondContact O-CG2 3.34Å; V50-V54 PolarHBondContact O-N 2.87Å; V50-V80 HydrophobicContact CB-CG1 4.17Å; V50-V80 HydrophobicContact CG1-CB 4.46Å; V50-V80 HydrophobicContact CG1-CG1 3.58Å; V50-V80 HydrophobicContact CG2-CG1 3.62Å; V50-I114 HydrophobicContact CG2-CD1 3.78Å |
| 51 | E | 90.5 | Very high | 89.9 | Confident | 129 Ų | 129 | 66 Ų | 66 | 60% | 0.603 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -57.2 | -46.3 | 176.4 | -76.2 | 175.2 | 176.6 | 0 | 0 | 111.7 | S47 V54 H55 | S47-E51 WeakPolarHBondContact O-CG 3.48Å; S47-E51 PolarHBondContact O-N 2.98Å; E51-V54 PolarHBondContact O-N 3.07Å; E51-H55 WeakPolarHBondContact O-CB 3.24Å; E51-H55 PolarHBondContact O-N 2.95Å |
| 52 | N | 90.3 | Very high | 90 | Very high | 111 Ų | 111 | 62.3 Ų | 62.3 | 59% | 0.594 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63.4 | -43.7 | 175.5 | -75.3 | -55.1 | 0 | 0 | 0 | 111.9 | R48 A49 V50 V54 H55 V56 | R48-N52 PolarHBondContact O-N 3.01Å; R48-N52 PolarHBondContact O-ND2 3.42Å; A49-N52 PolarHBondContact O-N 3.2Å; V50-N52 VanDerWaalsContact C-N 3.33Å; V50-N52 PolarHBondContact O-N 3.35Å; N52-V54 VanDerWaalsContact C-N 3.3Å; N52-V54 PolarHBondContact O-N 2.62Å; N52-H55 PolarHBondContact O-N 3.29Å; N52-V56 VanDerWaalsContact O-CG2 3.31Å; N52-V56 WeakPolarHBondContact O-CG2 3.48Å; N52-V56 PolarHBondContact O-N 3.22Å |
| 53 | L | 88.5 | Confident | 90.1 | Very high | 58 Ų | 58 | 63.6 Ų | 63.6 | 30% | 0.304 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.9 | -40 | 177.8 | -175.3 | 63.4 | 0 | 0 | 0 | 111.7 | A49 V50 G57 V80 L121 | A49-L53 WeakPolarHBondContact O-CB 3.45Å; A49-L53 PolarHBondContact O-N 3.07Å; V50-L53 WeakPolarHBondContact O-CB 3.46Å; V50-L53 PolarHBondContact O-N 2.89Å; V50-L53 VanDerWaalsContact O-N 3.17Å; L53-G57 PolarHBondContact O-N 3.14Å; L53-V80 HydrophobicContact CD2-CG1 4.49Å; L53-L121 HydrophobicContact CD1-CD2 3.52Å; L53-L121 HydrophobicContact CD2-CD2 3.57Å; L53-L121 HydrophobicContact CG-CD2 3.5Å |
| 54 | V | 91.3 | Very high | 90.1 | Very high | 16 Ų | 16 | 64 Ų | 64 | 10% | 0.097 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -69 | -43.7 | 179.1 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | V50 E51 N52 G57 Y58 L77 E81 | V50-V54 HydrophobicContact CG1-CG2 4.02Å; V50-V54 WeakPolarHBondContact O-CB 3.47Å; V50-V54 VanDerWaalsContact O-CG2 3.23Å; V50-V54 WeakPolarHBondContact O-CG2 3.34Å; V50-V54 PolarHBondContact O-N 2.87Å; E51-V54 PolarHBondContact O-N 3.07Å; N52-V54 VanDerWaalsContact C-N 3.3Å; N52-V54 PolarHBondContact O-N 2.62Å; V54-G57 PolarHBondContact O-N 3.39Å; V54-Y58 HydrophobicContact CG1-CD2 3.6Å; V54-Y58 HydrophobicContact CG1-CE2 3.55Å; V54-Y58 VanDerWaalsContact O-CD2 3.32Å; V54-Y58 WeakPolarHBondContact O-CD2 3.36Å; V54-Y58 PolarHBondContact O-N 3.44Å; V54-L77 HydrophobicContact CB-CD2 4.47Å; V54-L77 HydrophobicContact CG2-CD2 4.19Å; V54-E81 HydrophobicContact CG2-CB 4.39Å |
| 55 | H | 92 | Very high | 90.1 | Very high | 120 Ų | 120 | 67.4 Ų | 67.4 | 56% | 0.556 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -57.4 | -52.9 | 173.6 | -173 | -67.9 | 0 | 0 | 0 | 111.4 | E51 N52 G57 Y58 D59 | E51-H55 WeakPolarHBondContact O-CB 3.24Å; E51-H55 PolarHBondContact O-N 2.95Å; N52-H55 PolarHBondContact O-N 3.29Å; H55-G57 VanDerWaalsContact C-N 3.33Å; H55-G57 PolarHBondContact O-N 2.97Å; H55-Y58 PolarHBondContact O-N 2.87Å; H55-D59 IonicContact CE1-OD1 2.67Å; H55-D59 IonicContact CE1-OD2 3.59Å; H55-D59 PolarHBondContact CE1-OD2 2.87Å; H55-D59 IonicContact ND1-OD2 3.97Å; H55-D59 PolarHBondContact ND1-OD2 3.4Å; H55-D59 WeakPolarHBondContact O-CB 3.48Å; H55-D59 VanDerWaalsContact O-CG 3.29Å; H55-D59 PolarHBondContact O-N 3.24Å |
| 56 | V | 91.9 | Very high | 90.3 | Very high | 80 Ų | 80 | 65.6 Ų | 65.6 | 49% | 0.485 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.2 | -39 | 179.7 | 173.3 | 0 | 0 | 0 | 0 | 111.8 | N52 D59 T60 | N52-V56 VanDerWaalsContact O-CG2 3.31Å; N52-V56 WeakPolarHBondContact O-CG2 3.48Å; N52-V56 PolarHBondContact O-N 3.22Å; V56-D59 PolarHBondContact O-N 2.86Å; V56-T60 WeakPolarHBondContact O-CB 3.41Å; V56-T60 PolarHBondContact O-N 3.43Å; V56-T60 PolarHBondContact O-OG1 3.38Å |
| 57 | G | 91.2 | Very high | 90.6 | Very high | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.01 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.5 | -45.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L53 V54 H55 T60 C61 | L53-G57 PolarHBondContact O-N 3.14Å; V54-G57 PolarHBondContact O-N 3.39Å; H55-G57 VanDerWaalsContact C-N 3.33Å; H55-G57 PolarHBondContact O-N 2.97Å; G57-T60 PolarHBondContact O-N 3.47Å; G57-C61 VanDerWaalsContact O-CB 3.25Å; G57-C61 WeakPolarHBondContact O-CB 3.42Å; G57-C61 PolarHBondContact O-N 2.96Å |
| 58 | Y | 93.3 | Very high | 90.8 | Very high | 66 Ų | 66 | 73.4 Ų | 73.4 | 26% | 0.259 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.1 | -43.1 | 174 | -80.8 | -59.1 | 0 | 0 | 0 | 111.6 | V54 H55 T60 C61 H62 P74 L77 | V54-Y58 HydrophobicContact CG1-CD2 3.6Å; V54-Y58 HydrophobicContact CG1-CE2 3.55Å; V54-Y58 VanDerWaalsContact O-CD2 3.32Å; V54-Y58 WeakPolarHBondContact O-CD2 3.36Å; V54-Y58 PolarHBondContact O-N 3.44Å; H55-Y58 PolarHBondContact O-N 2.87Å; Y58-T60 VanDerWaalsContact C-N 3.3Å; Y58-T60 PolarHBondContact O-N 3.49Å; Y58-C61 WeakPolarHBondContact O-CB 3.38Å; Y58-C61 PolarHBondContact O-N 3.01Å; Y58-H62 PolarHBondContact O-N 3.45Å; Y58-H62 PolarHBondContact O-ND1 3.19Å; Y58-P74 HydrophobicContact CE1-CB 4.3Å; Y58-L77 HydrophobicContact CD1-CD1 3.89Å; Y58-L77 HydrophobicContact CD2-CD1 4Å; Y58-L77 HydrophobicContact CE1-CD1 3.94Å; Y58-L77 HydrophobicContact CE2-CB 4.34Å; Y58-L77 HydrophobicContact CE2-CD1 4.07Å; Y58-L77 HydrophobicContact CG-CD1 3.9Å |
| 59 | D | 92.2 | Very high | 90.9 | Very high | 85 Ų | 85 | 67 Ų | 67 | 46% | 0.455 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.4 | -43.1 | 176.5 | -73.5 | -17.6 | 0 | 0 | 0 | 112.1 | H55 V56 H62 S63 | H55-D59 IonicContact CE1-OD1 2.67Å; H55-D59 IonicContact CE1-OD2 3.59Å; H55-D59 PolarHBondContact CE1-OD2 2.87Å; H55-D59 IonicContact ND1-OD2 3.97Å; H55-D59 PolarHBondContact ND1-OD2 3.4Å; H55-D59 WeakPolarHBondContact O-CB 3.48Å; H55-D59 VanDerWaalsContact O-CG 3.29Å; H55-D59 PolarHBondContact O-N 3.24Å; V56-D59 PolarHBondContact O-N 2.86Å; D59-H62 PolarHBondContact O-N 3.32Å; D59-S63 WeakPolarHBondContact O-CB 3.45Å; D59-S63 PolarHBondContact O-N 2.97Å; D59-S63 PolarHBondContact O-OG 2.95Å |
| 60 | T | 89.8 | Confident | 91.1 | Very high | 45 Ų | 45 | 68 Ų | 68 | 28% | 0.276 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.4 | -40.3 | 178.1 | -51.6 | 0 | 0 | 0 | 0 | 111.5 | V56 G57 Y58 S63 S64 F125 | V56-T60 WeakPolarHBondContact O-CB 3.41Å; V56-T60 PolarHBondContact O-N 3.43Å; V56-T60 PolarHBondContact O-OG1 3.38Å; G57-T60 PolarHBondContact O-N 3.47Å; Y58-T60 VanDerWaalsContact C-N 3.3Å; Y58-T60 PolarHBondContact O-N 3.49Å; T60-S63 WeakPolarHBondContact CA-OG 3.3Å; T60-S63 PolarHBondContact O-N 3.44Å; T60-S63 PolarHBondContact O-OG 3.34Å; T60-S64 VanDerWaalsContact O-CB 3.27Å; T60-S64 WeakPolarHBondContact O-CB 3.48Å; T60-S64 PolarHBondContact O-N 3.15Å; T60-F125 HydrophobicContact CG2-CD1 4.47Å; T60-F125 HydrophobicContact CG2-CE1 3.46Å; T60-F125 VanDerWaalsContact CG2-CE1 3.46Å; T60-F125 HydrophobicContact CG2-CZ 4.02Å |
| 61 | C | 89.2 | Confident | 91.3 | Very high | 8 Ų | 8 | 74.2 Ų | 74.2 | 5% | 0.054 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61 | -46.2 | 175.6 | 179.4 | 0 | 0 | 0 | 0 | 111.9 | G57 Y58 M73 | G57-C61 VanDerWaalsContact O-CB 3.25Å; G57-C61 WeakPolarHBondContact O-CB 3.42Å; G57-C61 PolarHBondContact O-N 2.96Å; Y58-C61 WeakPolarHBondContact O-CB 3.38Å; Y58-C61 PolarHBondContact O-N 3.01Å; C61-M73 HydrophobicContact CB-CB 4.47Å; C61-M73 HydrophobicContact CB-CG 4.37Å |
| 62 | H | 89.8 | Confident | 91.4 | Very high | 144 Ų | 144 | 70.8 Ų | 70.8 | 67% | 0.667 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -71.9 | -30.4 | -178.7 | -68.2 | 103.1 | 0 | 0 | 0 | 113.1 | Y58 D59 | Y58-H62 PolarHBondContact O-N 3.45Å; Y58-H62 PolarHBondContact O-ND1 3.19Å; D59-H62 PolarHBondContact O-N 3.32Å |
| 63 | S | 91.2 | Very high | 91.5 | Very high | 92 Ų | 92 | 65.5 Ų | 65.5 | 64% | 0.643 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -86.6 | -10.4 | 178.4 | 57.5 | 0 | 0 | 0 | 0 | 114.4 | D59 T60 | D59-S63 WeakPolarHBondContact O-CB 3.45Å; D59-S63 PolarHBondContact O-N 2.97Å; D59-S63 PolarHBondContact O-OG 2.95Å; T60-S63 WeakPolarHBondContact CA-OG 3.3Å; T60-S63 PolarHBondContact O-N 3.44Å; T60-S63 PolarHBondContact O-OG 3.34Å |
| 64 | S | 89.3 | Confident | 91.7 | Very high | 18 Ų | 18 | 64.1 Ų | 64.1 | 13% | 0.126 | 34% | 0.336 | C | S | . | . | trans | -81.4 | 148.7 | 179.5 | -174 | 0 | 0 | 0 | 0 | 112.6 | T60 D66 K70 | T60-S64 VanDerWaalsContact O-CB 3.27Å; T60-S64 WeakPolarHBondContact O-CB 3.48Å; T60-S64 PolarHBondContact O-N 3.15Å; S64-D66 WeakPolarHBondContact OG-CB 3.4Å; S64-D66 PolarHBondContact OG-N 3.14Å; S64-D66 VanDerWaalsContact OG-N 3.11Å; S64-K70 WeakPolarHBondContact O-CE 3.3Å; S64-K70 PolarHBondContact O-NZ 2.93Å | ||
| 65 | D | 89.9 | Confident | 91.9 | Very high | 151 Ų | 151 | 66.9 Ų | 66.9 | 81% | 0.807 | 35% | 0.354 | S | S | * | . | trans | -91.9 | 2 | 168.9 | -66.3 | -35.7 | 0 | 0 | 0 | 112.7 | D67 | D65-D67 PolarHBondContact O-N 3.17Š| ||
| 66 | D | 92.5 | Very high | 91.9 | Very high | 13 Ų | 13 | 61.3 Ų | 61.3 | 7% | 0.07 | 33% | 0.329 | C | S | . | . | trans | -85.7 | 105.6 | 180 | -173.7 | -11.6 | 0 | 0 | 0 | 111 | S64 I68 L69 K70 R131 | S64-D66 WeakPolarHBondContact OG-CB 3.4Å; S64-D66 PolarHBondContact OG-N 3.14Å; S64-D66 VanDerWaalsContact OG-N 3.11Å; D66-I68 VanDerWaalsContact C-N 3.29Å; D66-I68 PolarHBondContact O-N 3.48Å; D66-I68 WeakPolarHBondContact OD1-CB 3.46Å; D66-I68 PolarHBondContact OD1-N 2.84Å; D66-L69 HydrophobicContact CB-CB 3.74Å; D66-L69 WeakPolarHBondContact O-CB 3.41Å; D66-L69 PolarHBondContact O-N 3.46Å; D66-L69 PolarHBondContact OD1-N 2.81Å; D66-K70 PolarHBondContact O-N 3.06Å; D66-R131 IonicContact OD1-NE 2.68Å; D66-R131 IonicContact OD1-NH2 3.23Å; D66-R131 IonicContact OD2-CZ 2.71Å; D66-R131 IonicContact OD2-NE 2.7Å; D66-R131 PolarHBondContact OD2-NE 3.12Å; D66-R131 IonicContact OD2-NH2 2.7Å; D66-R131 PolarHBondContact OD2-NH2 3.25Å | ||
| 67 | D | 93 | Very high | 92 | Very high | 121 Ų | 121 | 57.5 Ų | 57.5 | 65% | 0.647 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -63.3 | -32.6 | 178.9 | -67.9 | -31.7 | 0 | 0 | 0 | 113 | D65 K70 Q71 | D65-D67 PolarHBondContact O-N 3.17Å; D67-K70 PolarHBondContact O-N 2.7Å; D67-Q71 PolarHBondContact O-N 3.35Å; D67-Q71 VanDerWaalsContact O-N 3.07Å |
| 68 | I | 93.3 | Very high | 92.1 | Very high | 76 Ų | 76 | 62.4 Ų | 62.4 | 39% | 0.39 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.3 | -42.9 | 176.7 | -60.6 | 171.7 | 0 | 0 | 0 | 108.9 | D66 K70 Q71 D72 | D66-I68 VanDerWaalsContact C-N 3.29Å; D66-I68 PolarHBondContact O-N 3.48Å; D66-I68 WeakPolarHBondContact OD1-CB 3.46Å; D66-I68 PolarHBondContact OD1-N 2.84Å; I68-K70 VanDerWaalsContact C-N 3.3Å; I68-K70 PolarHBondContact O-N 3.38Å; I68-Q71 PolarHBondContact O-N 2.7Å; I68-Q71 VanDerWaalsContact O-N 3.12Å; I68-D72 WeakPolarHBondContact CG2-OD2 3.44Å; I68-D72 WeakPolarHBondContact O-CB 3.48Å; I68-D72 PolarHBondContact O-N 2.6Å |
| 69 | L | 93.3 | Very high | 92.1 | Very high | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60 | -41.4 | 174.2 | -170.6 | 66.3 | 0 | 0 | 0 | 111.8 | D66 Q71 D72 M73 C124 | D66-L69 HydrophobicContact CB-CB 3.74Å; D66-L69 WeakPolarHBondContact O-CB 3.41Å; D66-L69 PolarHBondContact O-N 3.46Å; D66-L69 PolarHBondContact OD1-N 2.81Å; L69-Q71 PolarHBondContact O-N 2.82Å; L69-D72 PolarHBondContact O-N 2.7Å; L69-M73 HydrophobicContact CD1-CB 4.42Å; L69-M73 HydrophobicContact CD1-CE 3.47Å; L69-M73 VanDerWaalsContact CD1-CE 3.47Å; L69-M73 HydrophobicContact CD2-CE 4.29Å; L69-M73 HydrophobicContact CG-CE 4.01Å; L69-M73 WeakPolarHBondContact O-CB 3.46Å; L69-M73 PolarHBondContact O-N 3.37Å; L69-C124 HydrophobicContact CD1-CB 4.19Å; L69-C124 WeakPolarHBondContact CD1-O 3.26Å |
| 70 | K | 92.9 | Very high | 92.1 | Very high | 80 Ų | 80 | 61 Ų | 61 | 35% | 0.348 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.1 | -30 | 176.9 | -73.5 | 173.8 | -178.5 | 159.1 | 0 | 113.4 | S64 D66 D67 I68 P74 | S64-K70 WeakPolarHBondContact O-CE 3.3Å; S64-K70 PolarHBondContact O-NZ 2.93Å; D66-K70 PolarHBondContact O-N 3.06Å; D67-K70 PolarHBondContact O-N 2.7Å; I68-K70 VanDerWaalsContact C-N 3.3Å; I68-K70 PolarHBondContact O-N 3.38Å; K70-P74 VanDerWaalsContact O-CD 3.23Å; K70-P74 WeakPolarHBondContact O-CD 3.49Å; K70-P74 VanDerWaalsContact O-CG 3.31Å; K70-P74 WeakPolarHBondContact O-CG 3.4Å |
| 71 | Q | 92.7 | Very high | 92.4 | Very high | 143 Ų | 143 | 61.9 Ų | 61.9 | 67% | 0.668 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -80.5 | -44 | 177.2 | -178.1 | 177.4 | -15.7 | 0 | 0 | 112.1 | D67 I68 L69 P75 | D67-Q71 PolarHBondContact O-N 3.35Å; D67-Q71 VanDerWaalsContact O-N 3.07Å; I68-Q71 PolarHBondContact O-N 2.7Å; I68-Q71 VanDerWaalsContact O-N 3.12Å; L69-Q71 PolarHBondContact O-N 2.82Å; Q71-P75 WeakPolarHBondContact O-CD 3.48Å |
| 72 | D | 91.3 | Very high | 92.6 | Very high | 57 Ų | 57 | 64.3 Ų | 64.3 | 31% | 0.305 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -91.9 | -26.3 | -167.4 | -63.9 | -18.5 | 0 | 0 | 0 | 113.7 | I68 L69 P75 | I68-D72 WeakPolarHBondContact CG2-OD2 3.44Å; I68-D72 WeakPolarHBondContact O-CB 3.48Å; I68-D72 PolarHBondContact O-N 2.6Å; L69-D72 PolarHBondContact O-N 2.7Å; D72-P75 WeakPolarHBondContact O-CD 3.49Å |
| 73 | M | 92.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.4 | -45.9 | 179.4 | -168.9 | 77.5 | 86.1 | 0 | 0 | 113.7 | C61 L69 A76 L77 L121 C124 F125 | C61-M73 HydrophobicContact CB-CB 4.47Å; C61-M73 HydrophobicContact CB-CG 4.37Å; L69-M73 HydrophobicContact CD1-CB 4.42Å; L69-M73 HydrophobicContact CD1-CE 3.47Å; L69-M73 VanDerWaalsContact CD1-CE 3.47Å; L69-M73 HydrophobicContact CD2-CE 4.29Å; L69-M73 HydrophobicContact CG-CE 4.01Å; L69-M73 WeakPolarHBondContact O-CB 3.46Å; L69-M73 PolarHBondContact O-N 3.37Å; M73-A76 WeakPolarHBondContact O-CB 3.45Å; M73-A76 PolarHBondContact O-N 3.05Å; M73-A76 VanDerWaalsContact O-N 3.12Å; M73-L77 HydrophobicContact CG-CD1 3.75Å; M73-L77 HydrophobicContact CG-CG 4.09Å; M73-L77 WeakPolarHBondContact O-CG 3.5Å; M73-L77 PolarHBondContact O-N 3.45Å; M73-L121 HydrophobicContact CG-CD1 4.29Å; M73-L121 HydrophobicContact SD-CD1 3.31Å; M73-L121 WeakPolarHBondContact SD-CD1 3.13Å; M73-L121 HydrophobicContact SD-CG 4.23Å; M73-C124 HydrophobicContact SD-CB 4.16Å; M73-F125 HydrophobicContact CE-CD1 4Å; M73-F125 HydrophobicContact CE-CD2 3.45Å; M73-F125 VanDerWaalsContact CE-CD2 3.45Å; M73-F125 HydrophobicContact CE-CE1 3.81Å; M73-F125 HydrophobicContact CE-CE2 3.2Å; M73-F125 HydrophobicContact CE-CG 3.85Å; M73-F125 HydrophobicContact CE-CZ 3.4Å; M73-F125 HydrophobicContact SD-CD2 3.98Å; M73-F125 HydrophobicContact SD-CE2 3.74Å; M73-F125 HydrophobicContact SD-CZ 4.42Å |
| 74 | P | 94 | Very high | 92.9 | Very high | 29 Ų | 29 | 53.7 Ų | 53.7 | 19% | 0.188 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.7 | -42.1 | -175.5 | -21.9 | 32.8 | 0 | 0 | 0 | 114.5 | Y58 K70 A76 L77 Q78 | Y58-P74 HydrophobicContact CE1-CB 4.3Å; K70-P74 VanDerWaalsContact O-CD 3.23Å; K70-P74 WeakPolarHBondContact O-CD 3.49Å; K70-P74 VanDerWaalsContact O-CG 3.31Å; K70-P74 WeakPolarHBondContact O-CG 3.4Å; P74-A76 VanDerWaalsContact C-N 3.32Å; P74-A76 PolarHBondContact O-N 3.18Å; P74-L77 PolarHBondContact O-N 2.98Å; P74-Q78 WeakPolarHBondContact O-CB 3.29Å; P74-Q78 VanDerWaalsContact O-CG 3.29Å; P74-Q78 WeakPolarHBondContact O-CG 3.44Å; P74-Q78 PolarHBondContact O-N 3.44Å |
| 75 | P | 93.6 | Very high | 93.2 | Very high | 73 Ų | 73 | 58.9 Ų | 58.9 | 47% | 0.474 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.8 | -39.8 | 172.8 | -26.6 | 34.5 | 0 | 0 | 0 | 113.9 | Q71 D72 R79 | Q71-P75 WeakPolarHBondContact O-CD 3.48Å; D72-P75 WeakPolarHBondContact O-CD 3.49Å; P75-R79 WeakPolarHBondContact O-CB 3.49Å; P75-R79 PolarHBondContact O-N 3.21Å; P75-R79 VanDerWaalsContact O-N 3.1Å |
| 76 | A | 92.2 | Very high | 93.3 | Very high | 4 Ų | 4 | 54.7 Ų | 54.7 | 3% | 0.033 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.3 | -44 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | M73 P74 R79 V80 A120 L121 | M73-A76 WeakPolarHBondContact O-CB 3.45Å; M73-A76 PolarHBondContact O-N 3.05Å; M73-A76 VanDerWaalsContact O-N 3.12Å; P74-A76 VanDerWaalsContact C-N 3.32Å; P74-A76 PolarHBondContact O-N 3.18Å; A76-R79 WeakPolarHBondContact O-CB 3.45Å; A76-R79 PolarHBondContact O-N 3.39Å; A76-V80 WeakPolarHBondContact O-CG2 3.21Å; A76-V80 PolarHBondContact O-N 3.35Å; A76-A120 HydrophobicContact CB-CB 4.03Å; A76-L121 HydrophobicContact CB-CB 4.29Å; A76-L121 HydrophobicContact CB-CD1 4.3Å |
| 77 | L | 94.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.3 | -47.3 | 176.7 | -72.5 | 174.9 | 0 | 0 | 0 | 112.8 | V54 Y58 M73 P74 R79 V80 E81 L121 | V54-L77 HydrophobicContact CB-CD2 4.47Å; V54-L77 HydrophobicContact CG2-CD2 4.19Å; Y58-L77 HydrophobicContact CD1-CD1 3.89Å; Y58-L77 HydrophobicContact CD2-CD1 4Å; Y58-L77 HydrophobicContact CE1-CD1 3.94Å; Y58-L77 HydrophobicContact CE2-CB 4.34Å; Y58-L77 HydrophobicContact CE2-CD1 4.07Å; Y58-L77 HydrophobicContact CG-CD1 3.9Å; M73-L77 HydrophobicContact CG-CD1 3.75Å; M73-L77 HydrophobicContact CG-CG 4.09Å; M73-L77 WeakPolarHBondContact O-CG 3.5Å; M73-L77 PolarHBondContact O-N 3.45Å; P74-L77 PolarHBondContact O-N 2.98Å; L77-R79 PolarHBondContact O-N 3.07Å; L77-V80 PolarHBondContact O-N 2.97Å; L77-E81 PolarHBondContact O-N 2.9Å; L77-L121 HydrophobicContact CD2-CD1 3.38Å; L77-L121 HydrophobicContact CD2-CD2 4.41Å; L77-L121 HydrophobicContact CG-CD1 3.71Å |
| 78 | Q | 94.3 | Very high | 93.4 | Very high | 104 Ų | 104 | 51.6 Ų | 51.6 | 49% | 0.486 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -60.2 | -35.6 | 176.8 | -74.8 | 175.5 | -5.1 | 0 | 0 | 112.1 | P74 S82 | P74-Q78 WeakPolarHBondContact O-CB 3.29Å; P74-Q78 VanDerWaalsContact O-CG 3.29Å; P74-Q78 WeakPolarHBondContact O-CG 3.44Å; P74-Q78 PolarHBondContact O-N 3.44Å; Q78-S82 VanDerWaalsContact O-CB 3.25Å; Q78-S82 WeakPolarHBondContact O-CB 3.42Å; Q78-S82 PolarHBondContact O-N 3.23Å; Q78-S82 PolarHBondContact O-OG 3.07Å |
| 79 | R | 92.4 | Very high | 93.4 | Very high | 120 Ų | 120 | 52.3 Ų | 52.3 | 45% | 0.453 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.4 | -46.4 | 175.5 | -176.4 | 174.2 | -72.7 | 157.6 | -5.2 | 111.3 | P75 A76 L77 S83 | P75-R79 WeakPolarHBondContact O-CB 3.49Å; P75-R79 PolarHBondContact O-N 3.21Å; P75-R79 VanDerWaalsContact O-N 3.1Å; A76-R79 WeakPolarHBondContact O-CB 3.45Å; A76-R79 PolarHBondContact O-N 3.39Å; L77-R79 PolarHBondContact O-N 3.07Å; R79-S83 WeakPolarHBondContact O-CB 3.25Å; R79-S83 PolarHBondContact O-N 2.75Å; R79-S83 PolarHBondContact O-OG 3.42Å |
| 80 | V | 93 | Very high | 93.4 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.5 | -45 | 177.5 | -175.1 | 0 | 0 | 0 | 0 | 110.9 | V50 L53 A76 L77 S83 S84 I114 | V50-V80 HydrophobicContact CB-CG1 4.17Å; V50-V80 HydrophobicContact CG1-CB 4.46Å; V50-V80 HydrophobicContact CG1-CG1 3.58Å; V50-V80 HydrophobicContact CG2-CG1 3.62Å; L53-V80 HydrophobicContact CD2-CG1 4.49Å; A76-V80 WeakPolarHBondContact O-CG2 3.21Å; A76-V80 PolarHBondContact O-N 3.35Å; L77-V80 PolarHBondContact O-N 2.97Å; V80-S83 PolarHBondContact O-N 3.44Å; V80-S84 PolarHBondContact O-N 3.12Å; V80-I114 HydrophobicContact CG1-CD1 3.89Å; V80-I114 WeakPolarHBondContact O-CD1 3.39Å |
| 81 | E | 94.4 | Very high | 93.4 | Very high | 64 Ų | 64 | 48.9 Ų | 48.9 | 30% | 0.299 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.5 | -47.8 | 178.7 | -170.9 | -174.5 | -165 | 0 | 0 | 112 | V54 L77 S83 S84 R85 | V54-E81 HydrophobicContact CG2-CB 4.39Å; L77-E81 PolarHBondContact O-N 2.9Å; E81-S83 VanDerWaalsContact C-N 3.27Å; E81-S83 PolarHBondContact O-N 2.92Å; E81-S84 WeakPolarHBondContact O-CB 3.5Å; E81-S84 PolarHBondContact O-N 2.92Å; E81-R85 PolarHBondContact O-N 3.49Å; E81-R85 IonicContact OE1-CZ 3.48Å; E81-R85 IonicContact OE1-NE 3.6Å; E81-R85 IonicContact OE1-NH2 2.71Å; E81-R85 PolarHBondContact OE1-NH2 2.87Å; E81-R85 IonicContact OE2-NH2 2.6Å |
| 82 | S | 94.6 | Very high | 93.4 | Very high | 59 Ų | 59 | 49.6 Ų | 49.6 | 41% | 0.413 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.4 | -38.5 | 178 | -59.2 | 0 | 0 | 0 | 0 | 111.7 | Q78 R85 Q86 | Q78-S82 VanDerWaalsContact O-CB 3.25Å; Q78-S82 WeakPolarHBondContact O-CB 3.42Å; Q78-S82 PolarHBondContact O-N 3.23Å; Q78-S82 PolarHBondContact O-OG 3.07Å; S82-R85 PolarHBondContact O-N 3.03Å; S82-Q86 WeakPolarHBondContact O-CG 3.44Å; S82-Q86 PolarHBondContact O-N 3.38Å |
| 83 | S | 94.1 | Very high | 93.5 | Very high | 5 Ų | 5 | 49 Ų | 49 | 4% | 0.035 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.8 | -36.8 | 178.2 | -54.8 | 0 | 0 | 0 | 0 | 112 | R79 V80 E81 Q86 L87 G113 | R79-S83 WeakPolarHBondContact O-CB 3.25Å; R79-S83 PolarHBondContact O-N 2.75Å; R79-S83 PolarHBondContact O-OG 3.42Å; V80-S83 PolarHBondContact O-N 3.44Å; E81-S83 VanDerWaalsContact C-N 3.27Å; E81-S83 PolarHBondContact O-N 2.92Å; S83-Q86 WeakPolarHBondContact O-CB 3.31Å; S83-Q86 PolarHBondContact O-N 3.37Å; S83-L87 WeakPolarHBondContact O-CG 3.34Å; S83-L87 PolarHBondContact O-N 3.49Å; S83-G113 VanDerWaalsContact CB-C 3.5Å; S83-G113 WeakPolarHBondContact OG-CA 3.29Å; S83-G113 PolarHBondContact OG-O 3.2Å |
| 84 | S | 94.1 | Very high | 93.5 | Very high | 7 Ų | 7 | 49.3 Ų | 49.3 | 5% | 0.049 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.4 | -44.2 | 173.8 | -160.7 | 0 | 0 | 0 | 0 | 111.7 | S47 V80 E81 Q86 L87 E88 | S47-S84 WeakPolarHBondContact CA-OG 3.36Å; S47-S84 PolarHBondContact OG-OG 3.43Å; V80-S84 PolarHBondContact O-N 3.12Å; E81-S84 WeakPolarHBondContact O-CB 3.5Å; E81-S84 PolarHBondContact O-N 2.92Å; S84-Q86 VanDerWaalsContact C-N 3.31Å; S84-Q86 PolarHBondContact O-N 2.94Å; S84-L87 WeakPolarHBondContact O-CB 3.08Å; S84-L87 PolarHBondContact O-N 3.27Å; S84-L87 VanDerWaalsContact O-N 3.14Å; S84-E88 PolarHBondContact O-N 2.98Å |
| 85 | R | 94.3 | Very high | 93.4 | Very high | 127 Ų | 127 | 53.6 Ų | 53.6 | 48% | 0.479 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.8 | -39 | 174.9 | -67 | 179.8 | -169.8 | 165.8 | 3.7 | 112 | E81 S82 L87 E88 E89 | E81-R85 PolarHBondContact O-N 3.49Å; E81-R85 IonicContact OE1-CZ 3.48Å; E81-R85 IonicContact OE1-NE 3.6Å; E81-R85 IonicContact OE1-NH2 2.71Å; E81-R85 PolarHBondContact OE1-NH2 2.87Å; E81-R85 IonicContact OE2-NH2 2.6Å; S82-R85 PolarHBondContact O-N 3.03Å; R85-L87 VanDerWaalsContact C-N 3.33Å; R85-L87 PolarHBondContact O-N 3.11Å; R85-E88 PolarHBondContact O-N 3.24Å; R85-E89 WeakPolarHBondContact O-CG 3.4Å; R85-E89 PolarHBondContact O-N 3.38Å |
| 86 | Q | 93.3 | Very high | 93.3 | Very high | 63 Ų | 63 | 56.9 Ų | 56.9 | 29% | 0.294 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.5 | -38.6 | 174.1 | -74.4 | 176.9 | -17 | 0 | 0 | 112.6 | S82 S83 S84 A90 | S82-Q86 WeakPolarHBondContact O-CG 3.44Å; S82-Q86 PolarHBondContact O-N 3.38Å; S83-Q86 WeakPolarHBondContact O-CB 3.31Å; S83-Q86 PolarHBondContact O-N 3.37Å; S84-Q86 VanDerWaalsContact C-N 3.31Å; S84-Q86 PolarHBondContact O-N 2.94Å; Q86-A90 VanDerWaalsContact O-CB 3.27Å; Q86-A90 WeakPolarHBondContact O-CB 3.42Å; Q86-A90 PolarHBondContact O-N 3.48Å |
| 87 | L | 92.9 | Very high | 93.3 | Very high | 4 Ų | 4 | 60.3 Ų | 60.3 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.7 | -40 | 174.8 | -71 | 176.1 | 0 | 0 | 0 | 112.1 | L23 V43 V46 S83 S84 R85 A90 C91 L107 A111 I114 | L23-L87 HydrophobicContact CD1-CD2 4.44Å; V43-L87 HydrophobicContact CG1-CB 4Å; V43-L87 HydrophobicContact CG2-CB 4.49Å; V46-L87 HydrophobicContact CG1-CD1 4.09Å; S83-L87 WeakPolarHBondContact O-CG 3.34Å; S83-L87 PolarHBondContact O-N 3.49Å; S84-L87 WeakPolarHBondContact O-CB 3.08Å; S84-L87 PolarHBondContact O-N 3.27Å; S84-L87 VanDerWaalsContact O-N 3.14Å; R85-L87 VanDerWaalsContact C-N 3.33Å; R85-L87 PolarHBondContact O-N 3.11Å; L87-A90 PolarHBondContact O-N 3.41Å; L87-C91 WeakPolarHBondContact O-CB 3.34Å; L87-C91 PolarHBondContact O-N 2.87Å; L87-L107 HydrophobicContact CD2-CD1 3.87Å; L87-A111 HydrophobicContact CD2-CB 4.38Å; L87-I114 HydrophobicContact CD1-CG1 3.75Å |
| 88 | E | 93.2 | Very high | 93.1 | Very high | 66 Ų | 66 | 62.4 Ų | 62.4 | 31% | 0.308 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.4 | -49.5 | 174.8 | -71.7 | 174.6 | -175.2 | 0 | 0 | 111.6 | V43 S47 S84 R85 A90 C91 Y92 | V43-E88 HydrophobicContact CG1-CG 3.95Å; S47-E88 WeakPolarHBondContact CB-OE1 3.42Å; S47-E88 WeakPolarHBondContact OG-CG 3.18Å; S47-E88 PolarHBondContact OG-OE1 3.24Å; S84-E88 PolarHBondContact O-N 2.98Å; R85-E88 PolarHBondContact O-N 3.24Å; E88-A90 VanDerWaalsContact C-N 3.31Å; E88-A90 PolarHBondContact O-N 3.3Å; E88-C91 WeakPolarHBondContact O-CB 3.35Å; E88-C91 PolarHBondContact O-N 2.78Å; E88-C91 VanDerWaalsContact O-N 3.08Å; E88-Y92 HydrophobicContact CB-CE2 4.42Å; E88-Y92 WeakPolarHBondContact O-CD2 3.38Å; E88-Y92 PolarHBondContact O-N 3.15Å |
| 89 | E | 94 | Very high | 92.9 | Very high | 91 Ų | 91 | 63.9 Ų | 63.9 | 43% | 0.425 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.7 | -43.9 | 176.2 | -71.8 | 176.1 | -173.7 | 0 | 0 | 111.5 | R85 C91 Y92 M93 K106 | R85-E89 WeakPolarHBondContact O-CG 3.4Å; R85-E89 PolarHBondContact O-N 3.38Å; E89-C91 VanDerWaalsContact C-N 3.3Å; E89-C91 PolarHBondContact O-N 3.17Å; E89-Y92 PolarHBondContact O-N 3.01Å; E89-M93 VanDerWaalsContact O-CG 3.23Å; E89-M93 WeakPolarHBondContact O-CG 3.43Å; E89-M93 PolarHBondContact O-N 3.24Å; E89-M93 VanDerWaalsContact O-N 3.08Å; E89-K106 HydrophobicContact CB-CD 4.2Å; E89-K106 IonicContact OE2-NZ 3.6Å; E89-K106 PolarHBondContact OE2-NZ 3.32Å |
| 90 | A | 93.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.9 | -42.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q86 L87 E88 M93 L94 G103 K106 L107 | Q86-A90 VanDerWaalsContact O-CB 3.27Å; Q86-A90 WeakPolarHBondContact O-CB 3.42Å; Q86-A90 PolarHBondContact O-N 3.48Å; L87-A90 PolarHBondContact O-N 3.41Å; E88-A90 VanDerWaalsContact C-N 3.31Å; E88-A90 PolarHBondContact O-N 3.3Å; A90-M93 PolarHBondContact O-N 3.46Å; A90-L94 WeakPolarHBondContact O-CB 3.42Å; A90-L94 VanDerWaalsContact O-CG 3.24Å; A90-L94 WeakPolarHBondContact O-CG 3.22Å; A90-L94 PolarHBondContact O-N 2.74Å; A90-G103 WeakPolarHBondContact CB-O 3.3Å; A90-K106 HydrophobicContact CB-CB 3.77Å; A90-L107 HydrophobicContact CB-CB 4.04Å; A90-L107 HydrophobicContact CB-CD1 4.49Å |
| 91 | C | 93.3 | Very high | 92.7 | Very high | 9 Ų | 9 | 63 Ų | 63 | 6% | 0.061 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 178.6 | -172.6 | 0 | 0 | 0 | 0 | 112.3 | T40 V43 L87 E88 E89 L94 K95 | T40-C91 WeakPolarHBondContact CA-SG 3.41Å; T40-C91 PolarHBondContact N-SG 2.94Å; V43-C91 HydrophobicContact CB-CB 4.44Å; V43-C91 HydrophobicContact CG1-CB 4.4Å; V43-C91 HydrophobicContact CG2-CB 4.25Å; L87-C91 WeakPolarHBondContact O-CB 3.34Å; L87-C91 PolarHBondContact O-N 2.87Å; E88-C91 WeakPolarHBondContact O-CB 3.35Å; E88-C91 PolarHBondContact O-N 2.78Å; E88-C91 VanDerWaalsContact O-N 3.08Å; E89-C91 VanDerWaalsContact C-N 3.3Å; E89-C91 PolarHBondContact O-N 3.17Å; C91-L94 PolarHBondContact O-N 3.39Å; C91-K95 VanDerWaalsContact O-CB 3.24Å; C91-K95 WeakPolarHBondContact O-CB 3.17Å; C91-K95 PolarHBondContact O-N 3.24Å |
| 92 | Y | 92.8 | Very high | 92.6 | Very high | 158 Ų | 158 | 65.4 Ų | 65.4 | 62% | 0.62 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -61.9 | -45.7 | 176.3 | -73.2 | -67 | 0 | 0 | 0 | 111.4 | E88 E89 L94 K95 D96 | E88-Y92 HydrophobicContact CB-CE2 4.42Å; E88-Y92 WeakPolarHBondContact O-CD2 3.38Å; E88-Y92 PolarHBondContact O-N 3.15Å; E89-Y92 PolarHBondContact O-N 3.01Å; Y92-L94 PolarHBondContact O-N 3.26Å; Y92-K95 PolarHBondContact O-N 3.42Å; Y92-D96 PolarHBondContact O-N 3.39Å; Y92-D96 VanDerWaalsContact O-N 3.07Å |
| 93 | M | 93.4 | Very high | 92.4 | Very high | 46 Ų | 46 | 62.6 Ų | 62.6 | 23% | 0.227 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 179.6 | -66.5 | -179.8 | 71.9 | 0 | 0 | 112.9 | E89 A90 K95 D96 D97 Q102 K106 | E89-M93 VanDerWaalsContact O-CG 3.23Å; E89-M93 WeakPolarHBondContact O-CG 3.43Å; E89-M93 PolarHBondContact O-N 3.24Å; E89-M93 VanDerWaalsContact O-N 3.08Å; A90-M93 PolarHBondContact O-N 3.46Å; M93-K95 VanDerWaalsContact C-N 3.34Å; M93-D96 PolarHBondContact O-N 3.08Å; M93-D97 PolarHBondContact O-N 3.43Å; M93-Q102 HydrophobicContact CE-CB 3.61Å; M93-Q102 HydrophobicContact CE-CG 3.6Å; M93-Q102 HydrophobicContact SD-CG 4.38Å; M93-K106 HydrophobicContact SD-CD 4.12Å |
| 94 | L | 92.3 | Very high | 92.2 | Very high | 6 Ų | 6 | 64.2 Ų | 64.2 | 3% | 0.031 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -75.4 | -24.1 | 179.6 | -69.6 | 172.5 | 0 | 0 | 0 | 113 | M36 L39 A90 C91 Y92 D97 P98 R104 L107 | M36-L94 HydrophobicContact CB-CB 4.44Å; M36-L94 HydrophobicContact CB-CD1 4.44Å; M36-L94 HydrophobicContact CB-CD2 4.06Å; M36-L94 HydrophobicContact CE-CD1 4.15Å; M36-L94 HydrophobicContact CG-CD1 4.15Å; M36-L94 HydrophobicContact CG-CD2 3.82Å; L39-L94 HydrophobicContact CD1-CD1 4.31Å; A90-L94 WeakPolarHBondContact O-CB 3.42Å; A90-L94 VanDerWaalsContact O-CG 3.24Å; A90-L94 WeakPolarHBondContact O-CG 3.22Å; A90-L94 PolarHBondContact O-N 2.74Å; C91-L94 PolarHBondContact O-N 3.39Å; Y92-L94 PolarHBondContact O-N 3.26Å; L94-D97 WeakPolarHBondContact CA-O 3.34Å; L94-D97 CarbonylContact O-C 3.36Å; L94-P98 VanDerWaalsContact O-CA 3.3Å; L94-P98 WeakPolarHBondContact O-CA 3.38Å; L94-R104 HydrophobicContact CD2-CG 4.02Å; L94-L107 HydrophobicContact CD1-CD2 4.18Å |
| 95 | K | 90.8 | Very high | 92 | Very high | 118 Ų | 118 | 70 Ų | 70 | 51% | 0.513 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -73 | -39.6 | 172.3 | -175.1 | 176.9 | -176.3 | 171.1 | 0 | 111.8 | C91 Y92 M93 | C91-K95 VanDerWaalsContact O-CB 3.24Å; C91-K95 WeakPolarHBondContact O-CB 3.17Å; C91-K95 PolarHBondContact O-N 3.24Å; Y92-K95 PolarHBondContact O-N 3.42Å; M93-K95 VanDerWaalsContact C-N 3.34Å |
| 96 | D | 91.6 | Very high | 91.8 | Very high | 143 Ų | 143 | 66.2 Ų | 66.2 | 77% | 0.765 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -73.1 | -42.3 | 176.5 | -71.8 | -12.4 | 0 | 0 | 0 | 111.6 | Y92 M93 | Y92-D96 PolarHBondContact O-N 3.39Å; Y92-D96 VanDerWaalsContact O-N 3.07Å; M93-D96 PolarHBondContact O-N 3.08Å |
| 97 | D | 91.9 | Very high | 91.8 | Very high | 75 Ų | 75 | 63.2 Ų | 63.2 | 40% | 0.401 | 30% | 0.303 | S | S | . | . | trans | -137.3 | 102.1 | 175.5 | 175.4 | 16.6 | 0 | 0 | 0 | 111 | M93 L94 Y99 S100 | M93-D97 PolarHBondContact O-N 3.43Å; L94-D97 WeakPolarHBondContact CA-O 3.34Å; L94-D97 CarbonylContact O-C 3.36Å; D97-Y99 PolarHBondContact O-N 3.46Å; D97-Y99 PolarHBondContact OD1-N 3.09Å; D97-S100 VanDerWaalsContact O-CB 3.25Å; D97-S100 WeakPolarHBondContact O-CB 3.31Å; D97-S100 PolarHBondContact O-N 3.01Å; D97-S100 PolarHBondContact OD2-N 3.44Å | ||
| 98 | P | 90.8 | Very high | 91.6 | Very high | 44 Ų | 44 | 63.7 Ų | 63.7 | 29% | 0.286 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -12.4 | 178.1 | -26.9 | 35.8 | 0 | 0 | 0 | 115.4 | A35 M36 L94 | A35-P98 HydrophobicContact CB-CB 3.96Å; M36-P98 WeakPolarHBondContact CB-O 3.45Å; M36-P98 PolarHBondContact N-O 3.25Å; M36-P98 VanDerWaalsContact N-O 3.15Å; L94-P98 VanDerWaalsContact O-CA 3.3Å; L94-P98 WeakPolarHBondContact O-CA 3.38Å |
| 99 | Y | 91.1 | Very high | 91.4 | Very high | 135 Ų | 135 | 63.2 Ų | 63.2 | 53% | 0.529 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | 8.7 | 178.9 | -58.3 | -82.4 | 0 | 0 | 0 | 113 | A35 D97 S101 | A35-Y99 HydrophobicContact CB-CE1 4.33Å; A35-Y99 HydrophobicContact CB-CE2 4.38Å; D97-Y99 PolarHBondContact O-N 3.46Å; D97-Y99 PolarHBondContact OD1-N 3.09Å; Y99-S101 PolarHBondContact O-N 3.39Å; Y99-S101 VanDerWaalsContact O-N 3.1Å |
| 100 | S | 91.8 | Very high | 91.2 | Very high | 17 Ų | 17 | 58.9 Ų | 58.9 | 12% | 0.119 | 28% | 0.282 | C | S | . | . | trans | -62.8 | 111.3 | -177.5 | -176.4 | 0 | 0 | 0 | 0 | 112.4 | D97 Q102 G103 R104 | D97-S100 VanDerWaalsContact O-CB 3.25Å; D97-S100 WeakPolarHBondContact O-CB 3.31Å; D97-S100 PolarHBondContact O-N 3.01Å; D97-S100 PolarHBondContact OD2-N 3.44Å; S100-Q102 VanDerWaalsContact C-N 3.3Å; S100-Q102 PolarHBondContact O-N 3.47Å; S100-G103 PolarHBondContact O-N 3.43Å; S100-G103 PolarHBondContact OG-N 3.41Å; S100-R104 WeakPolarHBondContact O-CG 3.33Å; S100-R104 PolarHBondContact O-N 2.84Å | ||
| 101 | S | 89 | Confident | 91.1 | Very high | 85 Ų | 85 | 58.9 Ų | 58.9 | 59% | 0.594 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62.2 | -37.4 | 176.5 | 62.3 | 0 | 0 | 0 | 0 | 112.5 | Y99 R104 K105 | Y99-S101 PolarHBondContact O-N 3.39Å; Y99-S101 VanDerWaalsContact O-N 3.1Å; S101-R104 PolarHBondContact O-N 3.03Å; S101-K105 PolarHBondContact O-N 3.18Å |
| 102 | Q | 91.3 | Very high | 90.9 | Very high | 115 Ų | 115 | 60.4 Ų | 60.4 | 54% | 0.537 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -69.7 | -39.5 | 177.5 | -172.2 | -179.8 | 9.5 | 0 | 0 | 111.5 | M93 S100 K105 K106 | M93-Q102 HydrophobicContact CE-CB 3.61Å; M93-Q102 HydrophobicContact CE-CG 3.6Å; M93-Q102 HydrophobicContact SD-CG 4.38Å; S100-Q102 VanDerWaalsContact C-N 3.3Å; S100-Q102 PolarHBondContact O-N 3.47Å; Q102-K105 PolarHBondContact O-N 3.19Å; Q102-K106 PolarHBondContact O-N 3.43Å |
| 103 | G | 91.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60 | -46 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A90 S100 K105 K106 L107 | A90-G103 WeakPolarHBondContact CB-O 3.3Å; S100-G103 PolarHBondContact O-N 3.43Å; S100-G103 PolarHBondContact OG-N 3.41Å; G103-K105 PolarHBondContact O-N 3.46Å; G103-K106 PolarHBondContact O-N 2.87Å; G103-L107 PolarHBondContact O-N 2.93Å |
| 104 | R | 89.7 | Confident | 90.6 | Very high | 39 Ų | 39 | 51.6 Ų | 51.6 | 15% | 0.147 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.7 | -39.9 | 175.6 | -72 | -166.3 | -49 | -152 | 8 | 113.5 | H27 A30 M36 L94 S100 S101 L107 I108 | H27-R104 PolarHBondContact ND1-O 3.01Å; H27-R104 VanDerWaalsContact ND1-O 3.11Å; A30-R104 PolarHBondContact O-NH1 2.9Å; M36-R104 HydrophobicContact CG-CG 4.36Å; L94-R104 HydrophobicContact CD2-CG 4.02Å; S100-R104 WeakPolarHBondContact O-CG 3.33Å; S100-R104 PolarHBondContact O-N 2.84Å; S101-R104 PolarHBondContact O-N 3.03Å; R104-L107 WeakPolarHBondContact O-CB 3.45Å; R104-L107 PolarHBondContact O-N 3.27Å; R104-I108 PolarHBondContact O-N 3.48Å |
| 105 | K | 89.6 | Confident | 90.4 | Very high | 129 Ų | 129 | 51.4 Ų | 51.4 | 56% | 0.561 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -64.3 | -48.5 | 177 | -179.3 | 175.2 | 173.7 | 176.4 | 0 | 111.3 | S101 Q102 G103 L107 I108 E109 | S101-K105 PolarHBondContact O-N 3.18Å; Q102-K105 PolarHBondContact O-N 3.19Å; G103-K105 PolarHBondContact O-N 3.46Å; K105-L107 VanDerWaalsContact C-N 3.26Å; K105-L107 PolarHBondContact O-N 3.46Å; K105-I108 PolarHBondContact O-N 3.35Å; K105-E109 WeakPolarHBondContact CE-OE1 3.39Å; K105-E109 IonicContact NZ-OE1 2.71Å; K105-E109 WeakPolarHBondContact O-CG 3.37Å; K105-E109 PolarHBondContact O-N 3.24Å |
| 106 | K | 91.6 | Very high | 90.3 | Very high | 48 Ų | 48 | 47.1 Ų | 47.1 | 21% | 0.209 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.3 | -34.7 | 176.6 | -74.4 | -167.7 | 174.3 | -168.2 | 0 | 112.6 | E89 A90 M93 Q102 G103 E109 G110 | E89-K106 HydrophobicContact CB-CD 4.2Å; E89-K106 IonicContact OE2-NZ 3.6Å; E89-K106 PolarHBondContact OE2-NZ 3.32Å; A90-K106 HydrophobicContact CB-CB 3.77Å; M93-K106 HydrophobicContact SD-CD 4.12Å; Q102-K106 PolarHBondContact O-N 3.43Å; G103-K106 PolarHBondContact O-N 2.87Å; K106-E109 PolarHBondContact O-N 3.19Å; K106-G110 PolarHBondContact O-N 2.88Å |
| 107 | L | 91.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60 | -46.8 | 176.6 | -175.9 | 67.6 | 0 | 0 | 0 | 111.8 | L23 M36 L39 L87 A90 L94 G103 R104 K105 A111 | L23-L107 HydrophobicContact CD1-CD1 4.46Å; L23-L107 HydrophobicContact CD2-CD1 4.34Å; M36-L107 HydrophobicContact CE-CD2 3.85Å; L39-L107 HydrophobicContact CD1-CD1 3.6Å; L39-L107 HydrophobicContact CD1-CD2 3.84Å; L39-L107 HydrophobicContact CD1-CG 4.39Å; L87-L107 HydrophobicContact CD2-CD1 3.87Å; A90-L107 HydrophobicContact CB-CB 4.04Å; A90-L107 HydrophobicContact CB-CD1 4.49Å; L94-L107 HydrophobicContact CD1-CD2 4.18Å; G103-L107 PolarHBondContact O-N 2.93Å; R104-L107 WeakPolarHBondContact O-CB 3.45Å; R104-L107 PolarHBondContact O-N 3.27Å; K105-L107 VanDerWaalsContact C-N 3.26Å; K105-L107 PolarHBondContact O-N 3.46Å; L107-A111 VanDerWaalsContact O-CB 3.23Å; L107-A111 WeakPolarHBondContact O-CB 3.4Å; L107-A111 PolarHBondContact O-N 3.1Å |
| 108 | I | 89 | Confident | 90.2 | Very high | 13 Ų | 13 | 37.3 Ų | 37.3 | 7% | 0.067 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.5 | -44 | 179.2 | -67.9 | -65.5 | 0 | 0 | 0 | 111.7 | V24 H27 R104 K105 A111 R112 | V24-I108 HydrophobicContact CB-CD1 4.22Å; V24-I108 HydrophobicContact CG1-CD1 4.4Å; V24-I108 HydrophobicContact CG2-CD1 3.84Å; H27-I108 HydrophobicContact CB-CD1 3.64Å; H27-I108 HydrophobicContact CB-CG1 3.95Å; H27-I108 VanDerWaalsContact ND1-CG1 3.27Å; H27-I108 WeakPolarHBondContact ND1-CG1 3.39Å; R104-I108 PolarHBondContact O-N 3.48Å; K105-I108 PolarHBondContact O-N 3.35Å; I108-A111 PolarHBondContact O-N 2.95Å; I108-R112 VanDerWaalsContact O-CB 3.31Å; I108-R112 WeakPolarHBondContact O-CB 3.35Å; I108-R112 PolarHBondContact O-N 2.97Å |
| 109 | E | 88.9 | Confident | 90.1 | Very high | 56 Ų | 56 | 35.3 Ų | 35.3 | 26% | 0.262 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -60.5 | -45.7 | 177.4 | -71.6 | 175.2 | 172.3 | 0 | 0 | 111.2 | K105 K106 R112 G113 | K105-E109 WeakPolarHBondContact CE-OE1 3.39Å; K105-E109 IonicContact NZ-OE1 2.71Å; K105-E109 WeakPolarHBondContact O-CG 3.37Å; K105-E109 PolarHBondContact O-N 3.24Å; K106-E109 PolarHBondContact O-N 3.19Å; E109-R112 PolarHBondContact O-N 2.94Å; E109-G113 PolarHBondContact O-N 3.16Å |
| 110 | G | 91.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64 | -44.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | K106 R112 G113 I114 | K106-G110 PolarHBondContact O-N 2.88Å; G110-R112 PolarHBondContact O-N 3.36Å; G110-G113 PolarHBondContact O-N 3.24Å; G110-I114 WeakPolarHBondContact O-CG1 3.37Å; G110-I114 PolarHBondContact O-N 3.1Å |
| 111 | A | 90.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.6 | -40.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V20 L23 L87 L107 I108 L115 | V20-A111 HydrophobicContact CG1-CB 4.02Å; V20-A111 HydrophobicContact CG2-CB 4.28Å; V20-A111 WeakPolarHBondContact CG2-O 3.49Å; L23-A111 HydrophobicContact CB-CB 4.42Å; L23-A111 HydrophobicContact CD1-CB 3.9Å; L87-A111 HydrophobicContact CD2-CB 4.38Å; L107-A111 VanDerWaalsContact O-CB 3.23Å; L107-A111 WeakPolarHBondContact O-CB 3.4Å; L107-A111 PolarHBondContact O-N 3.1Å; I108-A111 PolarHBondContact O-N 2.95Å; A111-L115 PolarHBondContact O-N 2.9Å |
| 112 | R | 88.1 | Confident | 90.2 | Very high | 40 Ų | 40 | 26.5 Ų | 26.5 | 15% | 0.151 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.3 | -47 | 172.9 | -178.5 | 176 | 67.6 | -152.8 | 3.4 | 111.3 | I108 E109 G110 I114 L115 Q116 T898 | I108-R112 VanDerWaalsContact O-CB 3.31Å; I108-R112 WeakPolarHBondContact O-CB 3.35Å; I108-R112 PolarHBondContact O-N 2.97Å; E109-R112 PolarHBondContact O-N 2.94Å; G110-R112 PolarHBondContact O-N 3.36Å; R112-I114 VanDerWaalsContact C-N 3.33Å; R112-I114 PolarHBondContact O-N 2.91Å; R112-L115 PolarHBondContact O-N 3.4Å; R112-Q116 HydrophobicContact CG-CG 4.34Å; R112-Q116 PolarHBondContact O-N 3.21Å; R112-T898 HydrophobicContact CB-CG2 4.22Å; R112-T898 WeakPolarHBondContact CD-OG1 3.41Å; R112-T898 WeakPolarHBondContact CG-OG1 3.19Å; R112-T898 PolarHBondContact NH1-O 3.36Å; R112-T898 VanDerWaalsContact NH1-O 3.16Å |
| 113 | G | 89.9 | Confident | 90.3 | Very high | 6 Ų | 6 | 22.9 Ų | 22.9 | 6% | 0.062 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.6 | -34.9 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | S83 E109 G110 G117 | S83-G113 VanDerWaalsContact CB-C 3.5Å; S83-G113 WeakPolarHBondContact OG-CA 3.29Å; S83-G113 PolarHBondContact OG-O 3.2Å; E109-G113 PolarHBondContact O-N 3.16Å; G110-G113 PolarHBondContact O-N 3.24Å; G113-G117 WeakPolarHBondContact O-CA 3.4Å; G113-G117 PolarHBondContact O-N 3.48Å |
| 114 | I | 91.1 | Very high | 90.3 | Very high | 13 Ų | 13 | 23.6 Ų | 23.6 | 7% | 0.067 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.6 | -51 | 171.2 | -69 | -63.9 | 0 | 0 | 0 | 110.6 | V16 V46 V50 V80 L87 G110 R112 Q116 G117 T118 | V16-I114 HydrophobicContact CG1-CG2 4.18Å; V46-I114 HydrophobicContact CG1-CD1 4.44Å; V50-I114 HydrophobicContact CG2-CD1 3.78Å; V80-I114 HydrophobicContact CG1-CD1 3.89Å; V80-I114 WeakPolarHBondContact O-CD1 3.39Å; L87-I114 HydrophobicContact CD1-CG1 3.75Å; G110-I114 WeakPolarHBondContact O-CG1 3.37Å; G110-I114 PolarHBondContact O-N 3.1Å; R112-I114 VanDerWaalsContact C-N 3.33Å; R112-I114 PolarHBondContact O-N 2.91Å; I114-Q116 PolarHBondContact O-N 3.03Å; I114-G117 PolarHBondContact O-N 3.19Å; I114-T118 WeakPolarHBondContact O-CB 3.36Å; I114-T118 PolarHBondContact O-N 3.26Å; I114-T118 PolarHBondContact O-OG1 3.26Å |
| 115 | L | 88.9 | Confident | 90.4 | Very high | 3 Ų | 3 | 24.3 Ų | 24.3 | 2% | 0.016 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62 | -47.5 | -178.5 | -178.2 | 59.2 | 0 | 0 | 0 | 112.3 | L13 V16 A17 V20 A111 R112 S119 I891 V895 | L13-L115 HydrophobicContact CD2-CD1 4.22Å; V16-L115 HydrophobicContact CG1-CD1 4.06Å; A17-L115 HydrophobicContact CB-CD1 4.05Å; A17-L115 HydrophobicContact CB-CD2 4.43Å; V20-L115 HydrophobicContact CG2-CB 4.32Å; A111-L115 PolarHBondContact O-N 2.9Å; R112-L115 PolarHBondContact O-N 3.4Å; L115-S119 WeakPolarHBondContact O-CB 3.44Å; L115-S119 PolarHBondContact O-N 3.42Å; L115-I891 HydrophobicContact CD1-CG2 4.43Å; L115-V895 HydrophobicContact CD2-CG2 3.45Å; L115-V895 VanDerWaalsContact CD2-CG2 3.45Å; L115-V895 HydrophobicContact CG-CG2 4.24Å |
| 116 | Q | 88.2 | Confident | 90.6 | Very high | 28 Ų | 28 | 18.9 Ų | 18.9 | 13% | 0.131 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65.7 | -41.4 | 177.1 | -72.4 | 175.6 | -34.2 | 0 | 0 | 111.8 | R112 I114 S119 A120 E907 | R112-Q116 HydrophobicContact CG-CG 4.34Å; R112-Q116 PolarHBondContact O-N 3.21Å; I114-Q116 PolarHBondContact O-N 3.03Å; Q116-S119 PolarHBondContact O-N 3.37Å; Q116-A120 WeakPolarHBondContact O-CB 3.34Å; Q116-A120 PolarHBondContact O-N 2.86Å; Q116-E907 PolarHBondContact NE2-OE2 3.01Å; Q116-E907 VanDerWaalsContact NE2-OE2 3.09Å |
| 117 | G | 90.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.9 | -47.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G113 I114 S119 A120 L121 | G113-G117 WeakPolarHBondContact O-CA 3.4Å; G113-G117 PolarHBondContact O-N 3.48Å; I114-G117 PolarHBondContact O-N 3.19Å; G117-S119 VanDerWaalsContact C-N 3.29Å; G117-S119 PolarHBondContact O-N 3.19Å; G117-A120 PolarHBondContact O-N 2.89Å; G117-L121 WeakPolarHBondContact O-CB 3.48Å; G117-L121 PolarHBondContact O-N 3.48Å |
| 118 | T | 90.6 | Very high | 90.8 | Very high | 12 Ų | 12 | 20 Ų | 20 | 7% | 0.074 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61 | -40.8 | 175.2 | -57.8 | 0 | 0 | 0 | 0 | 110.7 | I12 L13 I114 L121 L122 | I12-T118 HydrophobicContact CG2-CG2 4.23Å; L13-T118 HydrophobicContact CD2-CG2 4Å; I114-T118 WeakPolarHBondContact O-CB 3.36Å; I114-T118 PolarHBondContact O-N 3.26Å; I114-T118 PolarHBondContact O-OG1 3.26Å; T118-L121 WeakPolarHBondContact O-CB 3.37Å; T118-L121 PolarHBondContact O-N 3.26Å; T118-L122 HydrophobicContact CG2-CD1 4.05Å; T118-L122 HydrophobicContact CG2-CG 4.42Å; T118-L122 VanDerWaalsContact O-CG 3.25Å; T118-L122 WeakPolarHBondContact O-CG 3.5Å; T118-L122 PolarHBondContact O-N 3.41Å |
| 119 | S | 89.3 | Confident | 91 | Very high | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.014 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.4 | -42.3 | 176.7 | -173.9 | 0 | 0 | 0 | 0 | 113.3 | P2 L115 Q116 G117 L121 L122 L123 | P2-S119 WeakPolarHBondContact CA-OG 3.47Å; L115-S119 WeakPolarHBondContact O-CB 3.44Å; L115-S119 PolarHBondContact O-N 3.42Å; Q116-S119 PolarHBondContact O-N 3.37Å; G117-S119 VanDerWaalsContact C-N 3.29Å; G117-S119 PolarHBondContact O-N 3.19Å; S119-L121 VanDerWaalsContact C-N 3.29Å; S119-L121 PolarHBondContact O-N 3.39Å; S119-L122 PolarHBondContact O-N 3.02Å; S119-L123 WeakPolarHBondContact O-CB 3.33Å; S119-L123 PolarHBondContact O-N 3.43Å |
| 120 | A | 90.1 | Very high | 91.3 | Very high | 27 Ų | 27 | 21.4 Ų | 21.4 | 22% | 0.223 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.2 | -41.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | A76 Q116 G117 L123 C124 | A76-A120 HydrophobicContact CB-CB 4.03Å; Q116-A120 WeakPolarHBondContact O-CB 3.34Å; Q116-A120 PolarHBondContact O-N 2.86Å; G117-A120 PolarHBondContact O-N 2.89Å; A120-L123 PolarHBondContact O-N 3.38Å; A120-C124 PolarHBondContact O-N 2.77Å; A120-C124 PolarHBondContact O-SG 2.97Å |
| 121 | L | 92 | Very high | 91.6 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -57.9 | -52.5 | 176.5 | -173.5 | 78.2 | 0 | 0 | 0 | 111.6 | L53 M73 A76 L77 G117 T118 S119 L123 C124 F125 | L53-L121 HydrophobicContact CD1-CD2 3.52Å; L53-L121 HydrophobicContact CD2-CD2 3.57Å; L53-L121 HydrophobicContact CG-CD2 3.5Å; M73-L121 HydrophobicContact CG-CD1 4.29Å; M73-L121 HydrophobicContact SD-CD1 3.31Å; M73-L121 WeakPolarHBondContact SD-CD1 3.13Å; M73-L121 HydrophobicContact SD-CG 4.23Å; A76-L121 HydrophobicContact CB-CB 4.29Å; A76-L121 HydrophobicContact CB-CD1 4.3Å; L77-L121 HydrophobicContact CD2-CD1 3.38Å; L77-L121 HydrophobicContact CD2-CD2 4.41Å; L77-L121 HydrophobicContact CG-CD1 3.71Å; G117-L121 WeakPolarHBondContact O-CB 3.48Å; G117-L121 PolarHBondContact O-N 3.48Å; T118-L121 WeakPolarHBondContact O-CB 3.37Å; T118-L121 PolarHBondContact O-N 3.26Å; S119-L121 VanDerWaalsContact C-N 3.29Å; S119-L121 PolarHBondContact O-N 3.39Å; L121-L123 VanDerWaalsContact C-N 3.27Å; L121-L123 PolarHBondContact O-N 3.35Å; L121-C124 PolarHBondContact O-N 3.3Å; L121-F125 HydrophobicContact CD1-CE2 4.29Å; L121-F125 HydrophobicContact CG-CD2 4.19Å; L121-F125 HydrophobicContact CG-CE2 4.12Å; L121-F125 WeakPolarHBondContact O-CD2 3.36Å; L121-F125 PolarHBondContact O-N 2.85Å; L121-F125 VanDerWaalsContact O-N 3.12Å |
| 122 | L | 91.9 | Very high | 91.8 | Very high | 23 Ų | 23 | 27.9 Ų | 27.9 | 12% | 0.12 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63 | -35 | -179.5 | -67.4 | 171.1 | 0 | 0 | 0 | 112 | I9 I12 L13 T118 S119 F125 D126 | I9-L122 HydrophobicContact CG1-CB 4.11Å; I9-L122 HydrophobicContact CG2-CD1 4.2Å; I12-L122 HydrophobicContact CB-CD1 3.94Å; I12-L122 HydrophobicContact CD1-CD1 4.35Å; I12-L122 HydrophobicContact CD1-CD2 3.69Å; I12-L122 HydrophobicContact CG2-CD1 3.8Å; L13-L122 HydrophobicContact CD2-CD1 4.1Å; L13-L122 HydrophobicContact CG-CD1 4.01Å; T118-L122 HydrophobicContact CG2-CD1 4.05Å; T118-L122 HydrophobicContact CG2-CG 4.42Å; T118-L122 VanDerWaalsContact O-CG 3.25Å; T118-L122 WeakPolarHBondContact O-CG 3.5Å; T118-L122 PolarHBondContact O-N 3.41Å; S119-L122 PolarHBondContact O-N 3.02Å; L122-F125 PolarHBondContact O-N 3.13Å; L122-D126 WeakPolarHBondContact O-CB 3.28Å; L122-D126 PolarHBondContact O-N 2.91Å |
| 123 | L | 91.9 | Very high | 92.2 | Very high | 38 Ų | 38 | 26.5 Ų | 26.5 | 20% | 0.199 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.8 | -45.1 | 174.7 | -176.3 | 63.5 | 0 | 0 | 0 | 111.7 | V3 S119 A120 L121 F125 D126 E127 | V3-L123 HydrophobicContact CB-CD1 4.47Å; V3-L123 HydrophobicContact CG2-CD1 4.14Å; V3-L123 HydrophobicContact CG2-CD2 4.04Å; S119-L123 WeakPolarHBondContact O-CB 3.33Å; S119-L123 PolarHBondContact O-N 3.43Å; A120-L123 PolarHBondContact O-N 3.38Å; L121-L123 VanDerWaalsContact C-N 3.27Å; L121-L123 PolarHBondContact O-N 3.35Å; L123-F125 VanDerWaalsContact C-N 3.28Å; L123-F125 PolarHBondContact O-N 3.48Å; L123-D126 PolarHBondContact O-N 3.45Å; L123-D126 VanDerWaalsContact O-N 3.15Å; L123-E127 HydrophobicContact CD1-CG 4.15Å; L123-E127 HydrophobicContact CG-CG 4.29Å; L123-E127 WeakPolarHBondContact O-CB 3.4Å; L123-E127 WeakPolarHBondContact O-CG 3.36Å; L123-E127 PolarHBondContact O-N 3.24Å |
| 124 | C | 92 | Very high | 92.5 | Very high | 15 Ų | 15 | 26.6 Ų | 26.6 | 10% | 0.101 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -57.9 | -42.5 | 176 | -65.6 | 0 | 0 | 0 | 0 | 111.9 | L69 M73 A120 L121 S128 | L69-C124 HydrophobicContact CD1-CB 4.19Å; L69-C124 WeakPolarHBondContact CD1-O 3.26Å; M73-C124 HydrophobicContact SD-CB 4.16Å; A120-C124 PolarHBondContact O-N 2.77Å; A120-C124 PolarHBondContact O-SG 2.97Å; L121-C124 PolarHBondContact O-N 3.3Å; C124-S128 WeakPolarHBondContact O-CB 3.42Å; C124-S128 PolarHBondContact O-N 3.03Å; C124-S128 VanDerWaalsContact O-N 3.14Å |
| 125 | F | 91.7 | Very high | 92.7 | Very high | 55 Ų | 55 | 31.2 Ų | 31.2 | 24% | 0.241 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.9 | -49.7 | 173.8 | -89.6 | -76.8 | 0 | 0 | 0 | 111.9 | T60 M73 L121 L122 L123 S128 E129 | T60-F125 HydrophobicContact CG2-CD1 4.47Å; T60-F125 HydrophobicContact CG2-CE1 3.46Å; T60-F125 VanDerWaalsContact CG2-CE1 3.46Å; T60-F125 HydrophobicContact CG2-CZ 4.02Å; M73-F125 HydrophobicContact CE-CD1 4Å; M73-F125 HydrophobicContact CE-CD2 3.45Å; M73-F125 VanDerWaalsContact CE-CD2 3.45Å; M73-F125 HydrophobicContact CE-CE1 3.81Å; M73-F125 HydrophobicContact CE-CE2 3.2Å; M73-F125 HydrophobicContact CE-CG 3.85Å; M73-F125 HydrophobicContact CE-CZ 3.4Å; M73-F125 HydrophobicContact SD-CD2 3.98Å; M73-F125 HydrophobicContact SD-CE2 3.74Å; M73-F125 HydrophobicContact SD-CZ 4.42Å; L121-F125 HydrophobicContact CD1-CE2 4.29Å; L121-F125 HydrophobicContact CG-CD2 4.19Å; L121-F125 HydrophobicContact CG-CE2 4.12Å; L121-F125 WeakPolarHBondContact O-CD2 3.36Å; L121-F125 PolarHBondContact O-N 2.85Å; L121-F125 VanDerWaalsContact O-N 3.12Å; L122-F125 PolarHBondContact O-N 3.13Å; L123-F125 VanDerWaalsContact C-N 3.28Å; L123-F125 PolarHBondContact O-N 3.48Å; F125-S128 WeakPolarHBondContact O-CB 3.47Å; F125-S128 PolarHBondContact O-N 3.11Å; F125-E129 PolarHBondContact O-N 3.42Å |
| 126 | D | 93.6 | Very high | 93.1 | Very high | 15 Ų | 15 | 31.4 Ų | 31.4 | 8% | 0.08 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61 | -45.8 | -178.9 | -173 | 81.3 | 0 | 0 | 0 | 112.5 | H5 T6 I9 L122 L123 S128 E129 V130 R177 | H5-D126 IonicContact CD2-OD2 2.74Å; H5-D126 IonicContact CE1-OD2 2.87Å; H5-D126 PolarHBondContact CE1-OD2 2.76Å; H5-D126 IonicContact NE2-OD1 2.93Å; H5-D126 IonicContact NE2-OD2 3.24Å; H5-D126 PolarHBondContact NE2-OD2 3.36Å; T6-D126 WeakPolarHBondContact CG2-OD1 3.36Å; I9-D126 HydrophobicContact CD1-CB 4.15Å; L122-D126 WeakPolarHBondContact O-CB 3.28Å; L122-D126 PolarHBondContact O-N 2.91Å; L123-D126 PolarHBondContact O-N 3.45Å; L123-D126 VanDerWaalsContact O-N 3.15Å; D126-S128 VanDerWaalsContact C-N 3.29Å; D126-S128 PolarHBondContact O-N 3.03Å; D126-E129 WeakPolarHBondContact O-CB 3.5Å; D126-E129 PolarHBondContact O-N 3.48Å; D126-E129 VanDerWaalsContact O-N 3.1Å; D126-V130 WeakPolarHBondContact O-CG2 3.42Å; D126-V130 PolarHBondContact O-N 3.32Å; D126-R177 VanDerWaalsContact CG-NH2 3.26Å; D126-R177 IonicContact OD1-CZ 3.97Å; D126-R177 VanDerWaalsContact OD1-CZ 3.25Å; D126-R177 IonicContact OD1-NH1 3.01Å; D126-R177 PolarHBondContact OD1-NH1 2.76Å; D126-R177 IonicContact OD1-NH2 3.39Å; D126-R177 PolarHBondContact OD1-NH2 2.88Å; D126-R177 IonicContact OD2-CZ 3.9Å; D126-R177 IonicContact OD2-NH1 3.01Å; D126-R177 IonicContact OD2-NH2 3.37Å; D126-R177 PolarHBondContact OD2-NH2 3.29Å |
| 127 | E | 93.2 | Very high | 93.5 | Very high | 69 Ų | 69 | 30 Ų | 30 | 32% | 0.322 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -63.4 | -35.9 | 177.5 | -70.5 | -178.8 | 174.6 | 0 | 0 | 112.1 | L123 V130 R131 | L123-E127 HydrophobicContact CD1-CG 4.15Å; L123-E127 HydrophobicContact CG-CG 4.29Å; L123-E127 WeakPolarHBondContact O-CB 3.4Å; L123-E127 WeakPolarHBondContact O-CG 3.36Å; L123-E127 PolarHBondContact O-N 3.24Å; E127-V130 PolarHBondContact O-N 3.44Å; E127-R131 WeakPolarHBondContact O-CB 3.29Å; E127-R131 VanDerWaalsContact O-CG 3.3Å; E127-R131 WeakPolarHBondContact O-CG 3.49Å; E127-R131 PolarHBondContact O-N 3.21Å; E127-R131 IonicContact OE2-NH1 3.41Å |
| 128 | S | 93.5 | Very high | 93.7 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.014 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.5 | -44.3 | 171.8 | 154.4 | 0 | 0 | 0 | 0 | 111.4 | C124 F125 D126 R131 K132 | C124-S128 WeakPolarHBondContact O-CB 3.42Å; C124-S128 PolarHBondContact O-N 3.03Å; C124-S128 VanDerWaalsContact O-N 3.14Å; F125-S128 WeakPolarHBondContact O-CB 3.47Å; F125-S128 PolarHBondContact O-N 3.11Å; D126-S128 VanDerWaalsContact C-N 3.29Å; D126-S128 PolarHBondContact O-N 3.03Å; S128-R131 PolarHBondContact O-N 3.05Å; S128-K132 WeakPolarHBondContact O-CG 3.25Å; S128-K132 PolarHBondContact O-N 3.45Å |
| 129 | E | 93.9 | Very high | 94 | Very high | 86 Ų | 86 | 38.2 Ų | 38.2 | 40% | 0.402 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.2 | -46.7 | 174.6 | -66.9 | -53.2 | 114.2 | 0 | 0 | 111.5 | F125 D126 R131 K132 I133 | F125-E129 PolarHBondContact O-N 3.42Å; D126-E129 WeakPolarHBondContact O-CB 3.5Å; D126-E129 PolarHBondContact O-N 3.48Å; D126-E129 VanDerWaalsContact O-N 3.1Å; E129-R131 VanDerWaalsContact C-N 3.33Å; E129-R131 PolarHBondContact O-N 3.45Å; E129-K132 WeakPolarHBondContact O-CB 3.33Å; E129-K132 PolarHBondContact O-N 3.31Å; E129-K132 WeakPolarHBondContact OE1-CE 3.47Å; E129-K132 IonicContact OE1-NZ 3.27Å; E129-K132 PolarHBondContact OE1-NZ 2.94Å; E129-K132 IonicContact OE2-NZ 3.4Å; E129-I133 WeakPolarHBondContact O-CG1 3.02Å; E129-I133 PolarHBondContact O-N 2.93Å; E129-I133 VanDerWaalsContact O-N 3.17Å |
| 130 | V | 96.2 | Very high | 94.3 | Very high | 12 Ų | 12 | 38.1 Ų | 38.1 | 7% | 0.073 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.9 | -44.8 | 175.4 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | D126 E127 K132 I133 V134 L244 Q245 | D126-V130 WeakPolarHBondContact O-CG2 3.42Å; D126-V130 PolarHBondContact O-N 3.32Å; E127-V130 PolarHBondContact O-N 3.44Å; V130-K132 VanDerWaalsContact C-N 3.28Å; V130-K132 PolarHBondContact O-N 3.08Å; V130-I133 PolarHBondContact O-N 3.42Å; V130-I133 VanDerWaalsContact O-N 3.11Å; V130-V134 HydrophobicContact CG1-CG2 4.06Å; V130-V134 WeakPolarHBondContact O-CG2 3.28Å; V130-V134 PolarHBondContact O-N 3.27Å; V130-L244 HydrophobicContact CG1-CB 4.25Å; V130-L244 WeakPolarHBondContact CG1-O 3.42Å; V130-Q245 HydrophobicContact CG1-CG 4.11Å |
| 131 | R | 95.9 | Very high | 94.5 | Very high | 50 Ų | 50 | 38.2 Ų | 38.2 | 19% | 0.189 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61 | -33 | 175.9 | -76.8 | -172.7 | -63.2 | -94 | 3.1 | 112.7 | D66 E127 S128 E129 R135 | D66-R131 IonicContact OD1-NE 2.68Å; D66-R131 IonicContact OD1-NH2 3.23Å; D66-R131 IonicContact OD2-CZ 2.71Å; D66-R131 IonicContact OD2-NE 2.7Å; D66-R131 PolarHBondContact OD2-NE 3.12Å; D66-R131 IonicContact OD2-NH2 2.7Å; D66-R131 PolarHBondContact OD2-NH2 3.25Å; E127-R131 WeakPolarHBondContact O-CB 3.29Å; E127-R131 VanDerWaalsContact O-CG 3.3Å; E127-R131 WeakPolarHBondContact O-CG 3.49Å; E127-R131 PolarHBondContact O-N 3.21Å; E127-R131 IonicContact OE2-NH1 3.41Å; S128-R131 PolarHBondContact O-N 3.05Å; E129-R131 VanDerWaalsContact C-N 3.33Å; E129-R131 PolarHBondContact O-N 3.45Å; R131-R135 WeakPolarHBondContact O-CB 3.2Å; R131-R135 VanDerWaalsContact O-CG 3.26Å; R131-R135 WeakPolarHBondContact O-CG 3.23Å; R131-R135 PolarHBondContact O-N 3.13Å; R131-R135 PolarHBondContact O-NE 2.95Å |
| 132 | K | 95.2 | Very high | 94.5 | Very high | 87 Ų | 87 | 42.2 Ų | 42.2 | 38% | 0.378 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64.7 | -43.9 | 173.7 | -69.3 | 169.9 | -173.4 | 173.2 | 0 | 111 | S128 E129 V130 V136 | S128-K132 WeakPolarHBondContact O-CG 3.25Å; S128-K132 PolarHBondContact O-N 3.45Å; E129-K132 WeakPolarHBondContact O-CB 3.33Å; E129-K132 PolarHBondContact O-N 3.31Å; E129-K132 WeakPolarHBondContact OE1-CE 3.47Å; E129-K132 IonicContact OE1-NZ 3.27Å; E129-K132 PolarHBondContact OE1-NZ 2.94Å; E129-K132 IonicContact OE2-NZ 3.4Å; V130-K132 VanDerWaalsContact C-N 3.28Å; V130-K132 PolarHBondContact O-N 3.08Å; K132-V136 WeakPolarHBondContact O-CG2 3.32Å; K132-V136 PolarHBondContact O-N 2.89Å |
| 133 | I | 97.1 | Very high | 94.6 | Very high | 11 Ų | 11 | 44.1 Ų | 44.1 | 6% | 0.056 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.6 | -44.1 | 178.6 | -52.9 | 176.9 | 0 | 0 | 0 | 110.8 | E129 V130 R135 V136 C137 E173 R177 L244 | E129-I133 WeakPolarHBondContact O-CG1 3.02Å; E129-I133 PolarHBondContact O-N 2.93Å; E129-I133 VanDerWaalsContact O-N 3.17Å; V130-I133 PolarHBondContact O-N 3.42Å; V130-I133 VanDerWaalsContact O-N 3.11Å; I133-R135 VanDerWaalsContact C-N 3.32Å; I133-R135 PolarHBondContact O-N 3.43Å; I133-V136 WeakPolarHBondContact O-CA 3.44Å; I133-V136 WeakPolarHBondContact O-CB 3.44Å; I133-V136 PolarHBondContact O-N 3.44Å; I133-C137 PolarHBondContact O-N 3.37Å; I133-C137 PolarHBondContact O-SG 2.89Å; I133-E173 HydrophobicContact CG1-CB 4.14Å; I133-E173 HydrophobicContact CG2-CB 4.13Å; I133-R177 HydrophobicContact CD1-CB 3.7Å; I133-R177 HydrophobicContact CD1-CG 4.01Å; I133-L244 HydrophobicContact CB-CD1 4.22Å; I133-L244 HydrophobicContact CD1-CD2 4.44Å; I133-L244 HydrophobicContact CG2-CD1 3.52Å; I133-L244 HydrophobicContact CG2-CD2 4.39Å |
| 134 | V | 95.9 | Very high | 94.6 | Very high | 9 Ų | 9 | 42.5 Ų | 42.5 | 6% | 0.055 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.7 | -39 | 177.8 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | V130 V136 C137 Q138 I241 L244 Q245 | V130-V134 HydrophobicContact CG1-CG2 4.06Å; V130-V134 WeakPolarHBondContact O-CG2 3.28Å; V130-V134 PolarHBondContact O-N 3.27Å; V134-V136 VanDerWaalsContact C-N 3.28Å; V134-V136 PolarHBondContact O-N 3.42Å; V134-C137 WeakPolarHBondContact O-CB 3.47Å; V134-C137 PolarHBondContact O-N 3.18Å; V134-C137 VanDerWaalsContact O-N 3.12Å; V134-Q138 HydrophobicContact CG1-CG 4.26Å; V134-Q138 WeakPolarHBondContact O-CB 3.48Å; V134-Q138 WeakPolarHBondContact O-CG 3.46Å; V134-Q138 PolarHBondContact O-N 2.8Å; V134-I241 HydrophobicContact CG1-CG1 4.49Å; V134-I241 HydrophobicContact CG1-CG2 4.08Å; V134-I241 HydrophobicContact CG2-CG2 4.25Å; V134-L244 HydrophobicContact CG2-CD1 4.49Å; V134-Q245 HydrophobicContact CG2-CG 4.47Å |
| 135 | R | 96 | Very high | 94.5 | Very high | 109 Ų | 109 | 44.2 Ų | 44.2 | 41% | 0.411 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58.9 | -38.7 | 172.8 | -82 | 178.1 | -82.8 | 165.1 | -14.8 | 112.5 | R131 I133 K139 | R131-R135 WeakPolarHBondContact O-CB 3.2Å; R131-R135 VanDerWaalsContact O-CG 3.26Å; R131-R135 WeakPolarHBondContact O-CG 3.23Å; R131-R135 PolarHBondContact O-N 3.13Å; R131-R135 PolarHBondContact O-NE 2.95Å; I133-R135 VanDerWaalsContact C-N 3.32Å; I133-R135 PolarHBondContact O-N 3.43Å; R135-K139 WeakPolarHBondContact O-CG 3.33Å; R135-K139 PolarHBondContact O-N 2.88Å |
| 136 | V | 97.1 | Very high | 94.4 | Very high | 7 Ų | 7 | 44.9 Ų | 44.9 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65 | -43.3 | 174.3 | 174 | 0 | 0 | 0 | 0 | 110.6 | K132 I133 V134 K139 V140 W166 K169 M170 | K132-V136 WeakPolarHBondContact O-CG2 3.32Å; K132-V136 PolarHBondContact O-N 2.89Å; I133-V136 WeakPolarHBondContact O-CA 3.44Å; I133-V136 WeakPolarHBondContact O-CB 3.44Å; I133-V136 PolarHBondContact O-N 3.44Å; V134-V136 VanDerWaalsContact C-N 3.28Å; V134-V136 PolarHBondContact O-N 3.42Å; V136-K139 PolarHBondContact O-N 3.39Å; V136-V140 PolarHBondContact O-N 2.97Å; V136-W166 HydrophobicContact CG1-CE3 4.18Å; V136-W166 HydrophobicContact CG2-CZ3 4.32Å; V136-K169 HydrophobicContact CG1-CB 4.11Å; V136-K169 HydrophobicContact CG1-CD 4.3Å; V136-K169 HydrophobicContact CG1-CG 4.02Å; V136-K169 HydrophobicContact CG2-CD 3.91Å; V136-K169 HydrophobicContact CG2-CG 4.24Å; V136-M170 HydrophobicContact CG1-CB 3.81Å |
| 137 | C | 96.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.3 | -44.1 | 176.6 | -58.2 | 0 | 0 | 0 | 0 | 111.9 | I133 V134 K139 V140 L141 M170 V237 I241 | I133-C137 PolarHBondContact O-N 3.37Å; I133-C137 PolarHBondContact O-SG 2.89Å; V134-C137 WeakPolarHBondContact O-CB 3.47Å; V134-C137 PolarHBondContact O-N 3.18Å; V134-C137 VanDerWaalsContact O-N 3.12Å; C137-K139 VanDerWaalsContact C-N 3.3Å; C137-K139 PolarHBondContact O-N 3.49Å; C137-V140 WeakPolarHBondContact O-CB 3.43Å; C137-V140 PolarHBondContact O-N 3.23Å; C137-V140 VanDerWaalsContact O-N 3.09Å; C137-L141 PolarHBondContact O-N 3.34Å; C137-M170 HydrophobicContact CB-SD 4.36Å; C137-V237 HydrophobicContact CB-CG1 3.97Å; C137-I241 HydrophobicContact CB-CD1 3.74Å; C137-I241 HydrophobicContact CB-CG1 3.54Å |
| 138 | Q | 94.9 | Very high | 93.8 | Very high | 93 Ų | 93 | 42.1 Ų | 42.1 | 44% | 0.435 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.3 | -38.7 | 175.6 | -75.1 | 170.5 | -5 | 0 | 0 | 111.7 | V134 V140 L141 D142 | V134-Q138 HydrophobicContact CG1-CG 4.26Å; V134-Q138 WeakPolarHBondContact O-CB 3.48Å; V134-Q138 WeakPolarHBondContact O-CG 3.46Å; V134-Q138 PolarHBondContact O-N 2.8Å; Q138-V140 VanDerWaalsContact C-N 3.33Å; Q138-V140 PolarHBondContact O-N 2.97Å; Q138-L141 CarbonylContact O-C 3.35Å; Q138-L141 WeakPolarHBondContact O-CB 3.45Å; Q138-L141 PolarHBondContact O-N 2.99Å; Q138-L141 VanDerWaalsContact O-N 3.15Å; Q138-D142 VanDerWaalsContact O-CG 3.22Å; Q138-D142 PolarHBondContact O-N 3.18Å |
| 139 | K | 95.7 | Very high | 93.5 | Very high | 90 Ų | 90 | 46.4 Ų | 46.4 | 39% | 0.391 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.8 | -41.9 | 173.2 | -72.2 | -72.8 | 154.2 | -136.8 | 0 | 112.1 | R135 V136 C137 L141 D142 Y143 W166 | R135-K139 WeakPolarHBondContact O-CG 3.33Å; R135-K139 PolarHBondContact O-N 2.88Å; V136-K139 PolarHBondContact O-N 3.39Å; C137-K139 VanDerWaalsContact C-N 3.3Å; C137-K139 PolarHBondContact O-N 3.49Å; K139-L141 VanDerWaalsContact C-N 3.33Å; K139-L141 PolarHBondContact O-N 3.49Å; K139-D142 IonicContact NZ-OD2 3.78Å; K139-D142 PolarHBondContact NZ-OD2 2.8Å; K139-D142 WeakPolarHBondContact O-CB 3.17Å; K139-D142 PolarHBondContact O-N 3.44Å; K139-Y143 WeakPolarHBondContact O-CD2 3.49Å; K139-Y143 PolarHBondContact O-N 3.39Å; K139-Y143 VanDerWaalsContact O-N 3.16Å; K139-W166 HydrophobicContact CB-CD2 3.91Å; K139-W166 HydrophobicContact CB-CE3 3.87Å; K139-W166 HydrophobicContact CB-CG 4.35Å; K139-W166 HydrophobicContact CB-CZ3 4.2Å; K139-W166 HydrophobicContact CG-CD2 4.49Å; K139-W166 HydrophobicContact CG-CE3 4.25Å; K139-W166 HydrophobicContact CG-CH2 4.13Å; K139-W166 HydrophobicContact CG-CZ2 4.35Å; K139-W166 HydrophobicContact CG-CZ3 4.06Å |
| 140 | V | 96.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.5 | -44.2 | 173.7 | 175.4 | 0 | 0 | 0 | 0 | 110.8 | V136 C137 Q138 Y143 L144 W166 L167 M170 V237 | V136-V140 PolarHBondContact O-N 2.97Å; C137-V140 WeakPolarHBondContact O-CB 3.43Å; C137-V140 PolarHBondContact O-N 3.23Å; C137-V140 VanDerWaalsContact O-N 3.09Å; Q138-V140 VanDerWaalsContact C-N 3.33Å; Q138-V140 PolarHBondContact O-N 2.97Å; V140-Y143 PolarHBondContact O-N 3.44Å; V140-L144 HydrophobicContact CG1-CD1 3.83Å; V140-L144 HydrophobicContact CG1-CG 4.32Å; V140-L144 VanDerWaalsContact O-CG 3.3Å; V140-L144 WeakPolarHBondContact O-CG 3.47Å; V140-L144 PolarHBondContact O-N 3.41Å; V140-W166 HydrophobicContact CG2-CB 3.73Å; V140-L167 HydrophobicContact CG1-CD2 3.73Å; V140-L167 HydrophobicContact CG1-CG 4.5Å; V140-L167 HydrophobicContact CG2-CD2 4.38Å; V140-M170 HydrophobicContact CB-SD 4.3Å; V140-M170 HydrophobicContact CG1-SD 4.48Å; V140-M170 HydrophobicContact CG2-CB 4.34Å; V140-M170 HydrophobicContact CG2-SD 4.01Å; V140-V237 HydrophobicContact CG1-CG2 4.21Å |
| 141 | L | 94.1 | Very high | 92.9 | Very high | 30 Ų | 30 | 48.8 Ų | 48.8 | 16% | 0.157 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.2 | -41.9 | 176.2 | -66.8 | 175.8 | 0 | 0 | 0 | 112.7 | C137 Q138 K139 Y143 L144 A145 V234 V237 N238 I241 | C137-L141 PolarHBondContact O-N 3.34Å; Q138-L141 CarbonylContact O-C 3.35Å; Q138-L141 WeakPolarHBondContact O-CB 3.45Å; Q138-L141 PolarHBondContact O-N 2.99Å; Q138-L141 VanDerWaalsContact O-N 3.15Å; K139-L141 VanDerWaalsContact C-N 3.33Å; K139-L141 PolarHBondContact O-N 3.49Å; L141-Y143 VanDerWaalsContact C-N 3.31Å; L141-Y143 PolarHBondContact O-N 2.89Å; L141-L144 HydrophobicContact CD2-CD1 4.5Å; L141-L144 PolarHBondContact O-N 2.93Å; L141-A145 PolarHBondContact O-N 2.97Å; L141-V234 HydrophobicContact CD2-CB 4.24Å; L141-V234 HydrophobicContact CD2-CG1 3.98Å; L141-V234 HydrophobicContact CD2-CG2 4.09Å; L141-V237 HydrophobicContact CD1-CG1 4.15Å; L141-V237 HydrophobicContact CD2-CB 3.88Å; L141-V237 HydrophobicContact CD2-CG1 3.74Å; L141-V237 HydrophobicContact CG-CB 4.4Å; L141-V237 HydrophobicContact CG-CG1 3.69Å; L141-N238 WeakPolarHBondContact CD1-OD1 3.48Å; L141-I241 HydrophobicContact CD1-CD1 3.68Å |
| 142 | D | 92.2 | Very high | 92.8 | Very high | 85 Ų | 85 | 49.6 Ų | 49.6 | 46% | 0.455 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -55.9 | -46.4 | 175.9 | -68.2 | -19.7 | 0 | 0 | 0 | 110.6 | Q138 K139 A145 | Q138-D142 VanDerWaalsContact O-CG 3.22Å; Q138-D142 PolarHBondContact O-N 3.18Å; K139-D142 IonicContact NZ-OD2 3.78Å; K139-D142 PolarHBondContact NZ-OD2 2.8Å; K139-D142 WeakPolarHBondContact O-CB 3.17Å; K139-D142 PolarHBondContact O-N 3.44Å; D142-A145 WeakPolarHBondContact O-CB 3.28Å; D142-A145 PolarHBondContact O-N 3.37Å |
| 143 | Y | 93 | Very high | 92.7 | Very high | 63 Ų | 63 | 49 Ų | 49 | 25% | 0.247 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.1 | -45 | 175.6 | -74.7 | -70.4 | 0 | 0 | 0 | 111.7 | K139 V140 L141 A145 V146 F159 D162 I163 W166 | K139-Y143 WeakPolarHBondContact O-CD2 3.49Å; K139-Y143 PolarHBondContact O-N 3.39Å; K139-Y143 VanDerWaalsContact O-N 3.16Å; V140-Y143 PolarHBondContact O-N 3.44Å; L141-Y143 VanDerWaalsContact C-N 3.31Å; L141-Y143 PolarHBondContact O-N 2.89Å; Y143-A145 PolarHBondContact O-N 3Å; Y143-V146 WeakPolarHBondContact O-CG2 3.24Å; Y143-V146 PolarHBondContact O-N 3.26Å; Y143-V146 VanDerWaalsContact O-N 3.08Å; Y143-F159 WeakPolarHBondContact O-CE2 3.24Å; Y143-D162 HydrophobicContact CD1-CB 4.12Å; Y143-D162 HydrophobicContact CE1-CB 3.45Å; Y143-D162 VanDerWaalsContact CE1-CB 3.45Å; Y143-I163 HydrophobicContact CG-CB 4.42Å; Y143-I163 HydrophobicContact CG-CG1 4.45Å; Y143-W166 AromaticContact CD2-CD1 3.92Å; Y143-W166 AromaticContact CE2-CD1 3.35Å; Y143-W166 HydrophobicContact CE2-CG 4.32Å; Y143-W166 AromaticContact CE2-NE1 3.49Å |
| 144 | L | 92.3 | Very high | 92.6 | Very high | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.3 | -29.8 | 179.1 | -71.2 | 169.7 | 0 | 0 | 0 | 112.6 | V140 L141 V146 S147 I163 L204 V233 V234 | V140-L144 HydrophobicContact CG1-CD1 3.83Å; V140-L144 HydrophobicContact CG1-CG 4.32Å; V140-L144 VanDerWaalsContact O-CG 3.3Å; V140-L144 WeakPolarHBondContact O-CG 3.47Å; V140-L144 PolarHBondContact O-N 3.41Å; L141-L144 HydrophobicContact CD2-CD1 4.5Å; L141-L144 PolarHBondContact O-N 2.93Å; L144-V146 PolarHBondContact O-N 2.9Å; L144-S147 VanDerWaalsContact O-CB 3.22Å; L144-S147 WeakPolarHBondContact O-CB 3.32Å; L144-S147 PolarHBondContact O-N 3.24Å; L144-S147 VanDerWaalsContact O-N 3.08Å; L144-S147 PolarHBondContact O-OG 3.06Å; L144-I163 HydrophobicContact CD2-CD1 3.87Å; L144-I163 HydrophobicContact CG-CD1 4.04Å; L144-L204 HydrophobicContact CD2-CD2 3.64Å; L144-V233 HydrophobicContact CD1-CB 4.18Å; L144-V233 HydrophobicContact CD1-CG1 3.55Å; L144-V233 HydrophobicContact CD2-CG1 4.21Å; L144-V234 HydrophobicContact CB-CG2 3.91Å; L144-V234 HydrophobicContact CD1-CG2 3.89Å |
| 145 | A | 90.2 | Very high | 92.5 | Very high | 52 Ų | 52 | 59.5 Ų | 59.5 | 43% | 0.43 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.3 | -29.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L141 D142 Y143 | L141-A145 PolarHBondContact O-N 2.97Å; D142-A145 WeakPolarHBondContact O-CB 3.28Å; D142-A145 PolarHBondContact O-N 3.37Å; Y143-A145 PolarHBondContact O-N 3Å |
| 146 | V | 90.5 | Very high | 92.5 | Very high | 68 Ų | 68 | 54.6 Ų | 54.6 | 41% | 0.412 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -1.3 | 176.6 | -59.5 | 0 | 0 | 0 | 0 | 113.7 | Y143 L144 E148 V149 F159 | Y143-V146 WeakPolarHBondContact O-CG2 3.24Å; Y143-V146 PolarHBondContact O-N 3.26Å; Y143-V146 VanDerWaalsContact O-N 3.08Å; L144-V146 PolarHBondContact O-N 2.9Å; V146-E148 PolarHBondContact O-N 2.94Å; V146-E148 VanDerWaalsContact O-N 3.08Å; V146-V149 HydrophobicContact CB-CG2 3.97Å; V146-V149 WeakPolarHBondContact O-CG2 3.42Å; V146-V149 PolarHBondContact O-N 3.34Å; V146-F159 HydrophobicContact CG2-CD2 4.4Å |
| 147 | S | 88.7 | Confident | 92.5 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -29.5 | -179.1 | 61.8 | 0 | 0 | 0 | 0 | 113.6 | L144 S230 | L144-S147 VanDerWaalsContact O-CB 3.22Å; L144-S147 WeakPolarHBondContact O-CB 3.32Å; L144-S147 PolarHBondContact O-N 3.24Å; L144-S147 VanDerWaalsContact O-N 3.08Å; L144-S147 PolarHBondContact O-OG 3.06Å; S147-S230 PolarHBondContact OG-OG 3.32Å |
| 148 | E | 84.1 | Confident | 92.4 | Very high | 27 Ų | 27 | 61.7 Ų | 61.7 | 13% | 0.126 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -17.7 | -174.9 | -57.8 | -175.2 | 138.2 | 0 | 0 | 114.4 | V146 R226 N227 K293 | V146-E148 PolarHBondContact O-N 2.94Å; V146-E148 VanDerWaalsContact O-N 3.08Å; E148-R226 VanDerWaalsContact CA-CZ 3.48Å; E148-R226 PolarHBondContact O-NH1 3.12Å; E148-R226 PolarHBondContact O-NH2 3.31Å; E148-N227 PolarHBondContact OE1-OD1 3.46Å; E148-K293 IonicContact OE1-NZ 3.66Å; E148-K293 PolarHBondContact OE1-NZ 3.43Å; E148-K293 WeakPolarHBondContact OE2-CD 3.17Å; E148-K293 WeakPolarHBondContact OE2-CE 3.39Å; E148-K293 IonicContact OE2-NZ 3.29Å; E148-K293 PolarHBondContact OE2-NZ 3.29Å |
| 149 | V | 87.4 | Confident | 92.5 | Very high | 92 Ų | 92 | 57.7 Ų | 57.7 | 56% | 0.558 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -3.1 | -179.7 | -62.1 | 0 | 0 | 0 | 0 | 113.1 | V146 E151 | V146-V149 HydrophobicContact CB-CG2 3.97Å; V146-V149 WeakPolarHBondContact O-CG2 3.42Å; V146-V149 PolarHBondContact O-N 3.34Å; V149-E151 PolarHBondContact O-N 3.34Å |
| 150 | I | 89.7 | Confident | 92.5 | Very high | 14 Ų | 14 | 55.3 Ų | 55.3 | 7% | 0.072 | 29% | 0.292 | C | S | . | . | trans | -76 | 114.5 | 177.3 | -69.7 | 165.4 | 0 | 0 | 0 | 109.2 | D155 L156 F159 M208 I212 | I150-D155 HydrophobicContact CG2-CB 4.13Å; I150-L156 HydrophobicContact CG2-CB 4.02Å; I150-F159 HydrophobicContact CD1-CB 3.5Å; I150-F159 VanDerWaalsContact CD1-CB 3.5Å; I150-F159 HydrophobicContact CD1-CD1 4.19Å; I150-F159 HydrophobicContact CD1-CD2 3.46Å; I150-F159 VanDerWaalsContact CD1-CD2 3.46Å; I150-F159 HydrophobicContact CD1-CE2 4.22Å; I150-F159 HydrophobicContact CD1-CG 3.44Å; I150-F159 VanDerWaalsContact CD1-CG 3.44Å; I150-M208 HydrophobicContact CB-CE 4.03Å; I150-M208 HydrophobicContact CD1-CE 3.41Å; I150-M208 VanDerWaalsContact CD1-CE 3.41Å; I150-M208 HydrophobicContact CG1-CE 4.29Å; I150-M208 HydrophobicContact CG2-CE 4.16Å; I150-I212 HydrophobicContact CG2-CD1 4.02Å | ||
| 151 | E | 88.5 | Confident | 92.5 | Very high | 133 Ų | 133 | 63.4 Ų | 63.4 | 62% | 0.621 | 32% | 0.323 | S | S | * | . | trans | -120.5 | -6.3 | -172.3 | -69.2 | -178.1 | 179.7 | 0 | 0 | 114.2 | V149 F211 | V149-E151 PolarHBondContact O-N 3.34Å; E151-F211 HydrophobicContact CG-CE1 4.46Å | ||
| 152 | N | 92.4 | Very high | 92.6 | Very high | 67 Ų | 67 | 64.6 Ų | 64.6 | 36% | 0.358 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -134.7 | 163.1 | 178.4 | 68.6 | 66.5 | 0 | 0 | 0 | 112.6 | E154 D155 L156 I212 | N152-E154 PolarHBondContact O-N 3.4Å; N152-E154 PolarHBondContact OD1-N 3.18Å; N152-D155 VanDerWaalsContact ND2-CG 3.34Å; N152-D155 PolarHBondContact ND2-OD2 3.48Å; N152-D155 WeakPolarHBondContact OD1-CB 3.47Å; N152-D155 VanDerWaalsContact OD1-CG 3.28Å; N152-D155 PolarHBondContact OD1-N 3.03Å; N152-D155 PolarHBondContact OD1-OD2 3.13Å; N152-L156 PolarHBondContact O-N 3.42Å; N152-L156 VanDerWaalsContact O-N 3.13Å; N152-I212 VanDerWaalsContact O-CD1 3.23Å; N152-I212 WeakPolarHBondContact O-CD1 3.29Å |
| 153 | M | 93.5 | Very high | 92.8 | Very high | 76 Ų | 76 | 60.7 Ų | 60.7 | 37% | 0.374 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -70.4 | -31.6 | -173.2 | -169.6 | 62.2 | 60 | 0 | 0 | 113 | L156 V157 K209 I212 Q213 | M153-L156 PolarHBondContact O-N 2.96Å; M153-L156 HydrophobicContact SD-CD2 4.03Å; M153-V157 VanDerWaalsContact O-CG2 3.31Å; M153-V157 WeakPolarHBondContact O-CG2 3.31Å; M153-V157 PolarHBondContact O-N 3.13Å; M153-K209 HydrophobicContact CE-CG 4.11Å; M153-I212 HydrophobicContact CE-CG2 4.34Å; M153-Q213 HydrophobicContact CE-CG 4.27Å |
| 154 | E | 94.7 | Very high | 92.9 | Very high | 160 Ų | 160 | 59.9 Ų | 59.9 | 75% | 0.748 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -66.8 | -47.7 | 179.6 | -174.2 | 171.6 | -174.8 | 0 | 0 | 110.5 | N152 L156 V157 Q158 | N152-E154 PolarHBondContact O-N 3.4Å; N152-E154 PolarHBondContact OD1-N 3.18Å; E154-L156 VanDerWaalsContact C-N 3.3Å; E154-L156 PolarHBondContact O-N 2.82Å; E154-V157 PolarHBondContact O-N 3.43Å; E154-Q158 PolarHBondContact O-N 3.37Å |
| 155 | D | 95.2 | Very high | 93.2 | Very high | 79 Ų | 79 | 63.4 Ų | 63.4 | 42% | 0.422 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.8 | -37.8 | 174.4 | -69 | -16 | 0 | 0 | 0 | 111.7 | I150 N152 Q158 F159 | I150-D155 HydrophobicContact CG2-CB 4.13Å; N152-D155 VanDerWaalsContact ND2-CG 3.34Å; N152-D155 PolarHBondContact ND2-OD2 3.48Å; N152-D155 WeakPolarHBondContact OD1-CB 3.47Å; N152-D155 VanDerWaalsContact OD1-CG 3.28Å; N152-D155 PolarHBondContact OD1-N 3.03Å; N152-D155 PolarHBondContact OD1-OD2 3.13Å; D155-Q158 PolarHBondContact O-N 3.45Å; D155-F159 VanDerWaalsContact O-CB 3.26Å; D155-F159 WeakPolarHBondContact O-CB 3.39Å; D155-F159 PolarHBondContact O-N 3.42Å |
| 156 | L | 95.7 | Very high | 93.5 | Very high | 7 Ų | 7 | 64.5 Ų | 64.5 | 4% | 0.037 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.5 | -46 | 174.2 | 176.7 | 63.1 | 0 | 0 | 0 | 111.8 | I150 N152 M153 E154 Q158 F159 V160 M208 K209 I212 | I150-L156 HydrophobicContact CG2-CB 4.02Å; N152-L156 PolarHBondContact O-N 3.42Å; N152-L156 VanDerWaalsContact O-N 3.13Å; M153-L156 PolarHBondContact O-N 2.96Å; M153-L156 HydrophobicContact SD-CD2 4.03Å; E154-L156 VanDerWaalsContact C-N 3.3Å; E154-L156 PolarHBondContact O-N 2.82Å; L156-Q158 VanDerWaalsContact C-N 3.28Å; L156-Q158 PolarHBondContact O-N 3.36Å; L156-F159 HydrophobicContact CD1-CD1 4.36Å; L156-F159 PolarHBondContact O-N 2.81Å; L156-V160 HydrophobicContact CD1-CG2 4.13Å; L156-V160 HydrophobicContact CG-CG2 4.48Å; L156-V160 VanDerWaalsContact O-CG2 3.29Å; L156-V160 WeakPolarHBondContact O-CG2 3.46Å; L156-V160 PolarHBondContact O-N 2.77Å; L156-M208 HydrophobicContact CD1-CB 3.75Å; L156-M208 HydrophobicContact CD1-CE 3.83Å; L156-M208 HydrophobicContact CD1-SD 4.22Å; L156-K209 HydrophobicContact CD2-CB 3.75Å; L156-K209 HydrophobicContact CD2-CG 4.35Å; L156-I212 HydrophobicContact CB-CD1 3.67Å; L156-I212 HydrophobicContact CD2-CD1 3.87Å; L156-I212 HydrophobicContact CG-CD1 4.3Å |
| 157 | V | 96.3 | Very high | 93.8 | Very high | 66 Ų | 66 | 62.2 Ų | 62.2 | 40% | 0.4 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 178.2 | 169.1 | 0 | 0 | 0 | 0 | 110.3 | M153 E154 V160 R161 | M153-V157 VanDerWaalsContact O-CG2 3.31Å; M153-V157 WeakPolarHBondContact O-CG2 3.31Å; M153-V157 PolarHBondContact O-N 3.13Å; E154-V157 PolarHBondContact O-N 3.43Å; V157-V160 PolarHBondContact O-N 2.97Å; V157-R161 VanDerWaalsContact O-CG 3.32Å; V157-R161 WeakPolarHBondContact O-CG 3.45Å; V157-R161 PolarHBondContact O-N 2.76Å |
| 158 | Q | 95.5 | Very high | 94.2 | Very high | 90 Ų | 90 | 65.9 Ų | 65.9 | 42% | 0.421 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65 | -47 | 176.4 | -173.2 | 54.2 | 40 | 0 | 0 | 111.6 | E154 D155 L156 V160 R161 D162 | E154-Q158 PolarHBondContact O-N 3.37Å; D155-Q158 PolarHBondContact O-N 3.45Å; L156-Q158 VanDerWaalsContact C-N 3.28Å; L156-Q158 PolarHBondContact O-N 3.36Å; Q158-V160 VanDerWaalsContact C-N 3.33Å; Q158-V160 PolarHBondContact O-N 3.07Å; Q158-R161 WeakPolarHBondContact O-CB 3.41Å; Q158-R161 PolarHBondContact O-N 2.85Å; Q158-R161 VanDerWaalsContact O-N 3.14Å; Q158-D162 PolarHBondContact NE2-OD1 3.28Å; Q158-D162 PolarHBondContact NE2-OD2 3.44Å; Q158-D162 VanDerWaalsContact O-CG 3.28Å; Q158-D162 PolarHBondContact O-N 3.45Å |
| 159 | F | 96 | Very high | 94.9 | Very high | 9 Ų | 9 | 68.7 Ų | 68.7 | 4% | 0.039 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -54.2 | -46.5 | 174.6 | 170.8 | -95.4 | 0 | 0 | 0 | 112.4 | Y143 V146 I150 D155 L156 R161 D162 I163 M208 | Y143-F159 WeakPolarHBondContact O-CE2 3.24Å; V146-F159 HydrophobicContact CG2-CD2 4.4Å; I150-F159 HydrophobicContact CD1-CB 3.5Å; I150-F159 VanDerWaalsContact CD1-CB 3.5Å; I150-F159 HydrophobicContact CD1-CD1 4.19Å; I150-F159 HydrophobicContact CD1-CD2 3.46Å; I150-F159 VanDerWaalsContact CD1-CD2 3.46Å; I150-F159 HydrophobicContact CD1-CE2 4.22Å; I150-F159 HydrophobicContact CD1-CG 3.44Å; I150-F159 VanDerWaalsContact CD1-CG 3.44Å; D155-F159 VanDerWaalsContact O-CB 3.26Å; D155-F159 WeakPolarHBondContact O-CB 3.39Å; D155-F159 PolarHBondContact O-N 3.42Å; L156-F159 HydrophobicContact CD1-CD1 4.36Å; L156-F159 PolarHBondContact O-N 2.81Å; F159-R161 PolarHBondContact O-N 3.26Å; F159-D162 PolarHBondContact O-N 3.43Å; F159-I163 HydrophobicContact CD1-CG2 4.29Å; F159-I163 HydrophobicContact CE1-CD1 4.34Å; F159-I163 HydrophobicContact CE1-CG2 3.96Å; F159-I163 HydrophobicContact CE2-CD1 4.07Å; F159-I163 HydrophobicContact CZ-CB 4.43Å; F159-I163 HydrophobicContact CZ-CD1 3.61Å; F159-I163 HydrophobicContact CZ-CG2 4.18Å; F159-I163 WeakPolarHBondContact O-CB 3.38Å; F159-I163 VanDerWaalsContact O-CG2 3.26Å; F159-I163 WeakPolarHBondContact O-CG2 3.34Å; F159-I163 PolarHBondContact O-N 3.1Å; F159-M208 HydrophobicContact CD1-CE 3.69Å; F159-M208 HydrophobicContact CD1-SD 4.19Å; F159-M208 HydrophobicContact CE1-CE 3.69Å; F159-M208 HydrophobicContact CE1-SD 3.71Å; F159-M208 HydrophobicContact CG-CE 4.16Å; F159-M208 HydrophobicContact CZ-CE 4.16Å; F159-M208 HydrophobicContact CZ-SD 4.28Å |
| 160 | V | 96.6 | Very high | 95.4 | Very high | 39 Ų | 39 | 64.3 Ų | 64.3 | 24% | 0.236 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 178.7 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | L156 V157 Q158 D162 S164 I205 | L156-V160 HydrophobicContact CD1-CG2 4.13Å; L156-V160 HydrophobicContact CG-CG2 4.48Å; L156-V160 VanDerWaalsContact O-CG2 3.29Å; L156-V160 WeakPolarHBondContact O-CG2 3.46Å; L156-V160 PolarHBondContact O-N 2.77Å; V157-V160 PolarHBondContact O-N 2.97Å; Q158-V160 VanDerWaalsContact C-N 3.33Å; Q158-V160 PolarHBondContact O-N 3.07Å; V160-D162 VanDerWaalsContact C-N 3.27Å; V160-D162 PolarHBondContact O-N 3.25Å; V160-S164 VanDerWaalsContact O-CB 3.28Å; V160-S164 WeakPolarHBondContact O-CB 3.46Å; V160-S164 PolarHBondContact O-N 3.04Å; V160-S164 VanDerWaalsContact O-N 3.17Å; V160-S164 PolarHBondContact O-OG 3.49Å; V160-I205 HydrophobicContact CG1-CD1 4.39Å; V160-I205 HydrophobicContact CG2-CB 4.45Å; V160-I205 HydrophobicContact CG2-CD1 4.1Å; V160-I205 HydrophobicContact CG2-CG1 4.06Å; V160-I205 HydrophobicContact CG2-CG2 3.55Å |
| 161 | R | 96.5 | Very high | 95.7 | Very high | 170 Ų | 170 | 64.3 Ų | 64.3 | 64% | 0.642 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61.4 | -37.8 | 176 | -75 | 174.3 | 178.4 | -166 | 0.5 | 112 | V157 Q158 F159 P165 | V157-R161 VanDerWaalsContact O-CG 3.32Å; V157-R161 WeakPolarHBondContact O-CG 3.45Å; V157-R161 PolarHBondContact O-N 2.76Å; Q158-R161 WeakPolarHBondContact O-CB 3.41Å; Q158-R161 PolarHBondContact O-N 2.85Å; Q158-R161 VanDerWaalsContact O-N 3.14Å; F159-R161 PolarHBondContact O-N 3.26Å; R161-P165 WeakPolarHBondContact O-CD 3.41Å |
| 162 | D | 95.7 | Very high | 96.2 | Very high | 55 Ų | 55 | 65.6 Ų | 65.6 | 29% | 0.294 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -79 | -44.5 | -177.1 | -66.7 | -24.3 | 0 | 0 | 0 | 112.4 | Y143 Q158 F159 V160 P165 | Y143-D162 HydrophobicContact CD1-CB 4.12Å; Y143-D162 HydrophobicContact CE1-CB 3.45Å; Y143-D162 VanDerWaalsContact CE1-CB 3.45Å; Q158-D162 PolarHBondContact NE2-OD1 3.28Å; Q158-D162 PolarHBondContact NE2-OD2 3.44Å; Q158-D162 VanDerWaalsContact O-CG 3.28Å; Q158-D162 PolarHBondContact O-N 3.45Å; F159-D162 PolarHBondContact O-N 3.43Å; V160-D162 VanDerWaalsContact C-N 3.27Å; V160-D162 PolarHBondContact O-N 3.25Å; D162-P165 WeakPolarHBondContact O-CD 3.22Å |
| 163 | I | 96.1 | Very high | 96.4 | Very high | 4 Ų | 4 | 65.9 Ų | 65.9 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -78.5 | -32.7 | -174.5 | -160.6 | 173.9 | 0 | 0 | 0 | 113.7 | Y143 L144 F159 W166 L167 | Y143-I163 HydrophobicContact CG-CB 4.42Å; Y143-I163 HydrophobicContact CG-CG1 4.45Å; L144-I163 HydrophobicContact CD2-CD1 3.87Å; L144-I163 HydrophobicContact CG-CD1 4.04Å; F159-I163 HydrophobicContact CD1-CG2 4.29Å; F159-I163 HydrophobicContact CE1-CD1 4.34Å; F159-I163 HydrophobicContact CE1-CG2 3.96Å; F159-I163 HydrophobicContact CE2-CD1 4.07Å; F159-I163 HydrophobicContact CZ-CB 4.43Å; F159-I163 HydrophobicContact CZ-CD1 3.61Å; F159-I163 HydrophobicContact CZ-CG2 4.18Å; F159-I163 WeakPolarHBondContact O-CB 3.38Å; F159-I163 VanDerWaalsContact O-CG2 3.26Å; F159-I163 WeakPolarHBondContact O-CG2 3.34Å; F159-I163 PolarHBondContact O-N 3.1Å; I163-W166 PolarHBondContact O-N 2.75Å; I163-W166 VanDerWaalsContact O-N 3.08Å; I163-L167 HydrophobicContact CD1-CD1 4.41Å; I163-L167 HydrophobicContact CG1-CD1 4.09Å; I163-L167 HydrophobicContact CG1-CG 4.13Å; I163-L167 HydrophobicContact CG2-CD1 4.33Å; I163-L167 PolarHBondContact O-N 3.02Å |
| 164 | S | 96.3 | Very high | 96.6 | Very high | 45 Ų | 45 | 62.3 Ų | 62.3 | 32% | 0.315 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.4 | -42.5 | -173.1 | -58.9 | 0 | 0 | 0 | 0 | 114.1 | V160 W166 L167 T168 | V160-S164 VanDerWaalsContact O-CB 3.28Å; V160-S164 WeakPolarHBondContact O-CB 3.46Å; V160-S164 PolarHBondContact O-N 3.04Å; V160-S164 VanDerWaalsContact O-N 3.17Å; V160-S164 PolarHBondContact O-OG 3.49Å; S164-W166 VanDerWaalsContact C-N 3.32Å; S164-W166 PolarHBondContact O-N 2.86Å; S164-L167 PolarHBondContact O-N 2.94Å; S164-T168 PolarHBondContact O-N 2.71Å; S164-T168 VanDerWaalsContact O-N 3.07Å; S164-T168 PolarHBondContact O-OG1 3.34Å |
| 165 | P | 97.2 | Very high | 96.7 | Very high | 78 Ų | 78 | 58 Ų | 58 | 51% | 0.506 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.2 | -39.4 | 173 | -24.5 | 35 | 0 | 0 | 0 | 113 | R161 D162 T168 K169 | R161-P165 WeakPolarHBondContact O-CD 3.41Å; D162-P165 WeakPolarHBondContact O-CD 3.22Å; P165-T168 PolarHBondContact O-N 2.9Å; P165-K169 WeakPolarHBondContact O-CB 3.49Å; P165-K169 PolarHBondContact O-N 2.94Å |
| 166 | W | 97 | Very high | 96.8 | Very high | 75 Ų | 75 | 56.8 Ų | 56.8 | 28% | 0.284 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -70.7 | -39.8 | 179.7 | -66.3 | 110.4 | 0 | 0 | 0 | 112.4 | V136 K139 V140 Y143 I163 S164 T168 K169 M170 | V136-W166 HydrophobicContact CG1-CE3 4.18Å; V136-W166 HydrophobicContact CG2-CZ3 4.32Å; K139-W166 HydrophobicContact CB-CD2 3.91Å; K139-W166 HydrophobicContact CB-CE3 3.87Å; K139-W166 HydrophobicContact CB-CG 4.35Å; K139-W166 HydrophobicContact CB-CZ3 4.2Å; K139-W166 HydrophobicContact CG-CD2 4.49Å; K139-W166 HydrophobicContact CG-CE3 4.25Å; K139-W166 HydrophobicContact CG-CH2 4.13Å; K139-W166 HydrophobicContact CG-CZ2 4.35Å; K139-W166 HydrophobicContact CG-CZ3 4.06Å; V140-W166 HydrophobicContact CG2-CB 3.73Å; Y143-W166 AromaticContact CD2-CD1 3.92Å; Y143-W166 AromaticContact CE2-CD1 3.35Å; Y143-W166 HydrophobicContact CE2-CG 4.32Å; Y143-W166 AromaticContact CE2-NE1 3.49Å; I163-W166 PolarHBondContact O-N 2.75Å; I163-W166 VanDerWaalsContact O-N 3.08Å; S164-W166 VanDerWaalsContact C-N 3.32Å; S164-W166 PolarHBondContact O-N 2.86Å; W166-T168 VanDerWaalsContact C-N 3.33Å; W166-T168 PolarHBondContact O-N 2.98Å; W166-K169 HydrophobicContact CZ3-CD 4.42Å; W166-K169 PolarHBondContact O-N 3.01Å; W166-M170 VanDerWaalsContact O-CB 3.24Å; W166-M170 WeakPolarHBondContact O-CB 3.5Å; W166-M170 PolarHBondContact O-N 3.38Å |
| 167 | L | 97 | Very high | 96.8 | Very high | 20 Ų | 20 | 57.4 Ų | 57.4 | 11% | 0.105 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.5 | -43 | 172.6 | -73.1 | 168.1 | 0 | 0 | 0 | 111.9 | V140 I163 S164 M170 S171 V197 A201 | V140-L167 HydrophobicContact CG1-CD2 3.73Å; V140-L167 HydrophobicContact CG1-CG 4.5Å; V140-L167 HydrophobicContact CG2-CD2 4.38Å; I163-L167 HydrophobicContact CD1-CD1 4.41Å; I163-L167 HydrophobicContact CG1-CD1 4.09Å; I163-L167 HydrophobicContact CG1-CG 4.13Å; I163-L167 HydrophobicContact CG2-CD1 4.33Å; I163-L167 PolarHBondContact O-N 3.02Å; S164-L167 PolarHBondContact O-N 2.94Å; L167-M170 HydrophobicContact CD2-CE 4.43Å; L167-S171 WeakPolarHBondContact O-CB 3.47Å; L167-S171 PolarHBondContact O-N 2.86Å; L167-S171 PolarHBondContact O-OG 2.95Å; L167-V197 HydrophobicContact CD2-CG1 3.76Å; L167-A201 HydrophobicContact CD1-CB 3.77Å; L167-A201 HydrophobicContact CD2-CB 4.42Å |
| 168 | T | 97.2 | Very high | 96.7 | Very high | 77 Ų | 77 | 55.1 Ų | 55.1 | 47% | 0.472 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.2 | -44.3 | 177.6 | -56.6 | 0 | 0 | 0 | 0 | 111.3 | S164 P165 W166 R172 | S164-T168 PolarHBondContact O-N 2.71Å; S164-T168 VanDerWaalsContact O-N 3.07Å; S164-T168 PolarHBondContact O-OG1 3.34Å; P165-T168 PolarHBondContact O-N 2.9Å; W166-T168 VanDerWaalsContact C-N 3.33Å; W166-T168 PolarHBondContact O-N 2.98Å; T168-R172 WeakPolarHBondContact O-CB 3.48Å; T168-R172 PolarHBondContact O-N 3.38Å; T168-R172 VanDerWaalsContact O-N 3.11Å |
| 169 | K | 97.8 | Very high | 96.6 | Very high | 87 Ų | 87 | 56.2 Ų | 56.2 | 38% | 0.378 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64 | -48.8 | 177.1 | -171.3 | 175.2 | -179.2 | 179.3 | 0 | 110.8 | V136 P165 W166 S171 R172 E173 | V136-K169 HydrophobicContact CG1-CB 4.11Å; V136-K169 HydrophobicContact CG1-CD 4.3Å; V136-K169 HydrophobicContact CG1-CG 4.02Å; V136-K169 HydrophobicContact CG2-CD 3.91Å; V136-K169 HydrophobicContact CG2-CG 4.24Å; P165-K169 WeakPolarHBondContact O-CB 3.49Å; P165-K169 PolarHBondContact O-N 2.94Å; W166-K169 HydrophobicContact CZ3-CD 4.42Å; W166-K169 PolarHBondContact O-N 3.01Å; K169-S171 VanDerWaalsContact C-N 3.3Å; K169-S171 PolarHBondContact O-N 2.92Å; K169-R172 PolarHBondContact O-N 3.47Å; K169-E173 HydrophobicContact CG-CG 4.04Å; K169-E173 VanDerWaalsContact O-CG 3.24Å; K169-E173 WeakPolarHBondContact O-CG 3.41Å; K169-E173 PolarHBondContact O-N 2.87Å |
| 170 | M | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -54.2 | -47.2 | 177.7 | -172.3 | -174.3 | 75.3 | 0 | 0 | 111.6 | V136 C137 V140 W166 L167 T174 I194 V197 V237 | V136-M170 HydrophobicContact CG1-CB 3.81Å; C137-M170 HydrophobicContact CB-SD 4.36Å; V140-M170 HydrophobicContact CB-SD 4.3Å; V140-M170 HydrophobicContact CG1-SD 4.48Å; V140-M170 HydrophobicContact CG2-CB 4.34Å; V140-M170 HydrophobicContact CG2-SD 4.01Å; W166-M170 VanDerWaalsContact O-CB 3.24Å; W166-M170 WeakPolarHBondContact O-CB 3.5Å; W166-M170 PolarHBondContact O-N 3.38Å; L167-M170 HydrophobicContact CD2-CE 4.43Å; M170-T174 VanDerWaalsContact O-CB 3.29Å; M170-T174 WeakPolarHBondContact O-CB 3.44Å; M170-T174 PolarHBondContact O-N 3.41Å; M170-T174 PolarHBondContact O-OG1 3.3Å; M170-I194 HydrophobicContact CE-CD1 4.21Å; M170-V197 HydrophobicContact CE-CB 4.34Å; M170-V197 HydrophobicContact CE-CG1 3.77Å; M170-V197 HydrophobicContact CE-CG2 4.25Å; M170-V237 HydrophobicContact CE-CG2 4.02Å; M170-V237 HydrophobicContact SD-CG1 4.05Å; M170-V237 HydrophobicContact SD-CG2 3.98Å |
| 171 | S | 97.2 | Very high | 96.3 | Very high | 13 Ų | 13 | 57.7 Ų | 57.7 | 9% | 0.091 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.5 | -48.6 | 178.6 | -57.3 | 0 | 0 | 0 | 0 | 111.6 | L167 K169 T174 E175 | L167-S171 WeakPolarHBondContact O-CB 3.47Å; L167-S171 PolarHBondContact O-N 2.86Å; L167-S171 PolarHBondContact O-OG 2.95Å; K169-S171 VanDerWaalsContact C-N 3.3Å; K169-S171 PolarHBondContact O-N 2.92Å; S171-T174 PolarHBondContact O-N 3.42Å; S171-E175 WeakPolarHBondContact O-CB 3.41Å; S171-E175 VanDerWaalsContact O-CG 3.22Å; S171-E175 WeakPolarHBondContact O-CG 3.05Å; S171-E175 PolarHBondContact O-N 2.89Å |
| 172 | R | 97.8 | Very high | 95.9 | Very high | 160 Ų | 160 | 50.5 Ų | 50.5 | 60% | 0.604 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -63.3 | -46.1 | -178.6 | -171.9 | -171.3 | -53.4 | 164.6 | 4.7 | 113.1 | T168 K169 E175 A176 | T168-R172 WeakPolarHBondContact O-CB 3.48Å; T168-R172 PolarHBondContact O-N 3.38Å; T168-R172 VanDerWaalsContact O-N 3.11Å; K169-R172 PolarHBondContact O-N 3.47Å; R172-E175 PolarHBondContact O-N 3.24Å; R172-A176 PolarHBondContact O-N 3.48Å |
| 173 | E | 97.5 | Very high | 95.2 | Very high | 73 Ų | 73 | 48.1 Ų | 48.1 | 34% | 0.341 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.7 | -39.2 | -178.6 | -61.2 | -69.6 | 176.6 | 0 | 0 | 111 | I133 K169 A176 R177 | I133-E173 HydrophobicContact CG1-CB 4.14Å; I133-E173 HydrophobicContact CG2-CB 4.13Å; K169-E173 HydrophobicContact CG-CG 4.04Å; K169-E173 VanDerWaalsContact O-CG 3.24Å; K169-E173 WeakPolarHBondContact O-CG 3.41Å; K169-E173 PolarHBondContact O-N 2.87Å; E173-A176 PolarHBondContact O-N 3.18Å; E173-R177 WeakPolarHBondContact O-CB 3.36Å; E173-R177 PolarHBondContact O-N 2.96Å |
| 174 | T | 97.2 | Very high | 94.4 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.4 | -40.1 | 176.9 | -52.4 | 0 | 0 | 0 | 0 | 111.7 | M170 S171 A176 R177 E178 L190 I194 V240 | M170-T174 VanDerWaalsContact O-CB 3.29Å; M170-T174 WeakPolarHBondContact O-CB 3.44Å; M170-T174 PolarHBondContact O-N 3.41Å; M170-T174 PolarHBondContact O-OG1 3.3Å; S171-T174 PolarHBondContact O-N 3.42Å; T174-A176 VanDerWaalsContact C-N 3.33Å; T174-A176 PolarHBondContact O-N 3.35Å; T174-R177 PolarHBondContact O-N 2.94Å; T174-E178 PolarHBondContact O-N 3.48Å; T174-L190 HydrophobicContact CG2-CB 4.14Å; T174-L190 HydrophobicContact CG2-CD1 4.32Å; T174-L190 HydrophobicContact CG2-CD2 3.9Å; T174-L190 HydrophobicContact CG2-CG 4.34Å; T174-I194 HydrophobicContact CG2-CD1 3.9Å; T174-I194 HydrophobicContact CG2-CG1 3.67Å; T174-V240 HydrophobicContact CG2-CG1 3.9Å |
| 175 | E | 97.1 | Very high | 93.5 | Very high | 71 Ų | 71 | 50 Ų | 50 | 33% | 0.332 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.9 | -29.5 | 173.7 | -76.7 | 171.6 | -163.6 | 0 | 0 | 113.5 | S171 R172 E178 K179 I194 K198 | S171-E175 WeakPolarHBondContact O-CB 3.41Å; S171-E175 VanDerWaalsContact O-CG 3.22Å; S171-E175 WeakPolarHBondContact O-CG 3.05Å; S171-E175 PolarHBondContact O-N 2.89Å; R172-E175 PolarHBondContact O-N 3.24Å; E175-E178 WeakPolarHBondContact O-CG 3.35Å; E175-K179 WeakPolarHBondContact O-CE 3.39Å; E175-K179 WeakPolarHBondContact O-CG 3.2Å; E175-I194 HydrophobicContact CG-CG2 4.49Å; E175-K198 WeakPolarHBondContact OE1-CE 3.46Å; E175-K198 IonicContact OE1-NZ 2.88Å; E175-K198 PolarHBondContact OE1-NZ 3.19Å |
| 176 | A | 97.2 | Very high | 93 | Very high | 53 Ų | 53 | 46.5 Ų | 46.5 | 44% | 0.438 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -71.9 | -44.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | R172 E173 T174 K179 | R172-A176 PolarHBondContact O-N 3.48Å; E173-A176 PolarHBondContact O-N 3.18Å; T174-A176 VanDerWaalsContact C-N 3.33Å; T174-A176 PolarHBondContact O-N 3.35Å; A176-K179 PolarHBondContact O-N 3.33Å |
| 177 | R | 96.3 | Very high | 92.7 | Very high | 20 Ų | 20 | 45.4 Ų | 45.4 | 8% | 0.075 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.6 | -43.1 | -179.8 | -178.9 | 54.7 | 173.1 | -169.9 | -0.3 | 113 | D126 I133 E173 T174 K179 E180 L181 L244 | D126-R177 VanDerWaalsContact CG-NH2 3.26Å; D126-R177 IonicContact OD1-CZ 3.97Å; D126-R177 VanDerWaalsContact OD1-CZ 3.25Å; D126-R177 IonicContact OD1-NH1 3.01Å; D126-R177 PolarHBondContact OD1-NH1 2.76Å; D126-R177 IonicContact OD1-NH2 3.39Å; D126-R177 PolarHBondContact OD1-NH2 2.88Å; D126-R177 IonicContact OD2-CZ 3.9Å; D126-R177 IonicContact OD2-NH1 3.01Å; D126-R177 IonicContact OD2-NH2 3.37Å; D126-R177 PolarHBondContact OD2-NH2 3.29Å; I133-R177 HydrophobicContact CD1-CB 3.7Å; I133-R177 HydrophobicContact CD1-CG 4.01Å; E173-R177 WeakPolarHBondContact O-CB 3.36Å; E173-R177 PolarHBondContact O-N 2.96Å; T174-R177 PolarHBondContact O-N 2.94Å; R177-K179 PolarHBondContact O-N 3.26Å; R177-E180 WeakPolarHBondContact O-CB 3.39Å; R177-E180 PolarHBondContact O-N 3.08Å; R177-E180 VanDerWaalsContact O-N 3.09Å; R177-L181 PolarHBondContact O-N 3.3Å; R177-L244 HydrophobicContact CB-CD2 4.08Å; R177-L244 HydrophobicContact CG-CD2 3.47Å; R177-L244 VanDerWaalsContact CG-CD2 3.47Å |
| 178 | E | 94.3 | Very high | 92.1 | Very high | 17 Ų | 17 | 47.6 Ų | 47.6 | 8% | 0.079 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.4 | -37.8 | 179.5 | 73.9 | 73.9 | -172.1 | 0 | 0 | 111.3 | T174 E175 E180 L181 R187 L190 I191 | T174-E178 PolarHBondContact O-N 3.48Å; E175-E178 WeakPolarHBondContact O-CG 3.35Å; E178-E180 PolarHBondContact O-N 3.18Å; E178-L181 PolarHBondContact O-N 3.49Å; E178-L181 VanDerWaalsContact O-N 3.11Å; E178-R187 HydrophobicContact CB-CB 4.47Å; E178-R187 HydrophobicContact CB-CG 4.48Å; E178-R187 VanDerWaalsContact O-CD 3.26Å; E178-R187 WeakPolarHBondContact O-CD 3.33Å; E178-R187 VanDerWaalsContact O-CG 3.25Å; E178-R187 WeakPolarHBondContact O-CG 3.33Å; E178-R187 PolarHBondContact O-NE 2.97Å; E178-R187 IonicContact OE1-NH2 2.74Å; E178-R187 IonicContact OE2-CZ 2.89Å; E178-R187 IonicContact OE2-NE 2.66Å; E178-R187 PolarHBondContact OE2-NE 3.38Å; E178-R187 IonicContact OE2-NH2 3.69Å; E178-R187 PolarHBondContact OE2-NH2 3.48Å; E178-L190 HydrophobicContact CB-CB 4.34Å; E178-L190 HydrophobicContact CB-CD1 4.13Å; E178-I191 HydrophobicContact CG-CG1 4.3Å |
| 179 | K | 94.2 | Very high | 91.6 | Very high | 114 Ų | 114 | 45.6 Ų | 45.6 | 50% | 0.496 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67.5 | -26.8 | -176.7 | -65 | 174.8 | -174 | 162.7 | 0 | 112.7 | K7 E175 A176 R177 | K7-K179 WeakPolarHBondContact CE-O 3.41Å; K7-K179 PolarHBondContact NZ-O 3.03Å; E175-K179 WeakPolarHBondContact O-CE 3.39Å; E175-K179 WeakPolarHBondContact O-CG 3.2Å; A176-K179 PolarHBondContact O-N 3.33Å; R177-K179 PolarHBondContact O-N 3.26Å |
| 180 | E | 94.2 | Very high | 91.4 | Very high | 74 Ų | 74 | 41.5 Ų | 41.5 | 35% | 0.346 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -80.8 | -22.3 | 177 | -75 | -61.1 | 127.5 | 0 | 0 | 112.6 | T6 K7 T8 R177 E178 | T6-E180 CarbonylContact C-O 3.56Å; T6-E180 WeakPolarHBondContact CA-O 3.19Å; K7-E180 PolarHBondContact N-O 3.44Å; T8-E180 PolarHBondContact OG1-OE2 2.9Å; R177-E180 WeakPolarHBondContact O-CB 3.39Å; R177-E180 PolarHBondContact O-N 3.08Å; R177-E180 VanDerWaalsContact O-N 3.09Å; E178-E180 PolarHBondContact O-N 3.18Å |
| 181 | L | 92 | Very high | 91.3 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -68.8 | 143.2 | -177.8 | -62.3 | 177.8 | 0 | 0 | 0 | 111.7 | H5 T6 R177 E178 H186 R187 L190 | H5-L181 WeakPolarHBondContact O-CA 3.29Å; T6-L181 HydrophobicContact CG2-CD2 4.4Å; R177-L181 PolarHBondContact O-N 3.3Å; E178-L181 PolarHBondContact O-N 3.49Å; E178-L181 VanDerWaalsContact O-N 3.11Å; L181-H186 HydrophobicContact CD1-CB 3.89Å; L181-R187 HydrophobicContact CB-CG 3.81Å; L181-R187 HydrophobicContact CD1-CG 4.36Å; L181-L190 HydrophobicContact CD1-CD1 3.7Å |
| 182 | T | 86.4 | Confident | 91 | Very high | 20 Ų | 20 | 49.5 Ų | 49.5 | 12% | 0.123 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -88.4 | -27.7 | 172.3 | 56.7 | 0 | 0 | 0 | 0 | 111.9 | F4 H5 T6 K7 E10 Q184 T884 | F4-T182 WeakPolarHBondContact O-CG2 3.16Å; F4-T182 PolarHBondContact O-OG1 2.88Å; H5-T182 VanDerWaalsContact C-OG1 3.26Å; H5-T182 WeakPolarHBondContact CA-OG1 3.45Å; H5-T182 PolarHBondContact O-N 3.47Å; H5-T182 PolarHBondContact O-OG1 2.88Å; T6-T182 VanDerWaalsContact C-CG2 3.48Å; K7-T182 HydrophobicContact CG-CG2 4.13Å; E10-T182 WeakPolarHBondContact OE2-CG2 3.49Å; T182-Q184 PolarHBondContact O-N 2.99Å; T182-T884 HydrophobicContact CG2-CG2 4.5Å |
| 183 | H | 81.3 | Confident | 90.8 | Very high | 5 Ų | 5 | 41.9 Ų | 41.9 | 2% | 0.023 | 20% | 0.202 | C | C | . | . | trans | -80.7 | 103.9 | 180 | -60.6 | 169 | 0 | 0 | 0 | 111.2 | V185 H186 R187 T248 Y249 | H183-V185 VanDerWaalsContact C-N 3.28Å; H183-V185 PolarHBondContact O-N 2.86Å; H183-H186 HydrophobicContact CB-CB 4.23Å; H183-H186 AromaticContact ND1-CE1 3.36Å; H183-H186 PolarHBondContact ND1-CE1 3.01Å; H183-H186 AromaticContact ND1-ND1 3.61Å; H183-H186 PolarHBondContact O-N 3.4Å; H183-H186 VanDerWaalsContact O-N 3.13Å; H183-R187 PolarHBondContact O-N 2.91Å; H183-T248 PolarHBondContact ND1-O 2.86Å; H183-Y249 AromaticContact CD2-CE1 3.68Å; H183-Y249 AromaticContact CD2-CE2 3.71Å; H183-Y249 AromaticContact CD2-CZ 3.42Å; H183-Y249 VanDerWaalsContact CD2-CZ 3.42Å; H183-Y249 AromaticContact NE2-CD2 3.7Å; H183-Y249 AromaticContact NE2-CE2 3.42Å; H183-Y249 WeakPolarHBondContact NE2-CE2 3.36Å; H183-Y249 AromaticContact NE2-CZ 3.68Å | ||
| 184 | Q | 80.2 | Confident | 90.8 | Very high | 53 Ų | 53 | 38.6 Ų | 38.6 | 25% | 0.248 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.6 | -36 | -177 | -175.2 | 58.9 | 18.9 | 0 | 0 | 113.6 | T182 H186 R187 E188 | T182-Q184 PolarHBondContact O-N 2.99Å; Q184-H186 PolarHBondContact O-N 2.95Å; Q184-R187 WeakPolarHBondContact O-CB 3.22Å; Q184-R187 PolarHBondContact O-N 3.41Å; Q184-E188 WeakPolarHBondContact O-CG 3.43Å; Q184-E188 PolarHBondContact O-N 3.24Å |
| 185 | V | 77.9 | Confident | 90.6 | Very high | 36 Ų | 36 | 42.4 Ų | 42.4 | 22% | 0.218 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.1 | -42.8 | 177 | 177.8 | 0 | 0 | 0 | 0 | 111.6 | H183 R187 E188 I189 E251 | H183-V185 VanDerWaalsContact C-N 3.28Å; H183-V185 PolarHBondContact O-N 2.86Å; V185-R187 VanDerWaalsContact C-N 3.28Å; V185-R187 PolarHBondContact O-N 3.16Å; V185-E188 PolarHBondContact O-N 3.07Å; V185-I189 HydrophobicContact CG1-CD1 4.03Å; V185-I189 WeakPolarHBondContact O-CG1 3.35Å; V185-I189 PolarHBondContact O-N 3.34Å; V185-E251 VanDerWaalsContact CG2-OE1 3.31Å; V185-E251 WeakPolarHBondContact CG2-OE1 3.33Å |
| 186 | H | 85.6 | Confident | 90.4 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 1% | 0.014 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.8 | -38.5 | 178 | -61.6 | -178.9 | 0 | 0 | 0 | 110.9 | L181 H183 Q184 I189 L190 V243 L246 T248 | L181-H186 HydrophobicContact CD1-CB 3.89Å; H183-H186 HydrophobicContact CB-CB 4.23Å; H183-H186 AromaticContact ND1-CE1 3.36Å; H183-H186 PolarHBondContact ND1-CE1 3.01Å; H183-H186 AromaticContact ND1-ND1 3.61Å; H183-H186 PolarHBondContact O-N 3.4Å; H183-H186 VanDerWaalsContact O-N 3.13Å; Q184-H186 PolarHBondContact O-N 2.95Å; H186-I189 PolarHBondContact O-N 3.44Å; H186-L190 WeakPolarHBondContact O-CG 3.34Å; H186-L190 PolarHBondContact O-N 3.35Å; H186-V243 HydrophobicContact CB-CG1 3.74Å; H186-L246 WeakPolarHBondContact CE1-CB 3.08Å; H186-T248 PolarHBondContact CE1-O 2.95Å |
| 187 | R | 90.2 | Very high | 90.3 | Very high | 52 Ų | 52 | 38 Ų | 38 | 20% | 0.196 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.5 | -48.6 | 174.7 | -58.4 | -179.6 | 67.5 | -145.7 | 0.4 | 111.6 | E178 L181 H183 Q184 V185 I189 L190 I191 | E178-R187 HydrophobicContact CB-CB 4.47Å; E178-R187 HydrophobicContact CB-CG 4.48Å; E178-R187 VanDerWaalsContact O-CD 3.26Å; E178-R187 WeakPolarHBondContact O-CD 3.33Å; E178-R187 VanDerWaalsContact O-CG 3.25Å; E178-R187 WeakPolarHBondContact O-CG 3.33Å; E178-R187 PolarHBondContact O-NE 2.97Å; E178-R187 IonicContact OE1-NH2 2.74Å; E178-R187 IonicContact OE2-CZ 2.89Å; E178-R187 IonicContact OE2-NE 2.66Å; E178-R187 PolarHBondContact OE2-NE 3.38Å; E178-R187 IonicContact OE2-NH2 3.69Å; E178-R187 PolarHBondContact OE2-NH2 3.48Å; L181-R187 HydrophobicContact CB-CG 3.81Å; L181-R187 HydrophobicContact CD1-CG 4.36Å; H183-R187 PolarHBondContact O-N 2.91Å; Q184-R187 WeakPolarHBondContact O-CB 3.22Å; Q184-R187 PolarHBondContact O-N 3.41Å; V185-R187 VanDerWaalsContact C-N 3.28Å; V185-R187 PolarHBondContact O-N 3.16Å; R187-I189 VanDerWaalsContact C-N 3.32Å; R187-I189 PolarHBondContact O-N 2.97Å; R187-L190 PolarHBondContact O-N 3.03Å; R187-I191 VanDerWaalsContact O-CG1 3.26Å; R187-I191 WeakPolarHBondContact O-CG1 3.49Å; R187-I191 PolarHBondContact O-N 3.49Å |
| 188 | E | 85.5 | Confident | 90.2 | Very high | 66 Ų | 66 | 41.4 Ų | 41.4 | 31% | 0.308 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -57.6 | -43.6 | 178.2 | -73 | 170.9 | -175.3 | 0 | 0 | 111.7 | Q184 V185 R192 K549 Q877 | Q184-E188 WeakPolarHBondContact O-CG 3.43Å; Q184-E188 PolarHBondContact O-N 3.24Å; V185-E188 PolarHBondContact O-N 3.07Å; E188-R192 WeakPolarHBondContact O-CB 3.34Å; E188-R192 PolarHBondContact O-N 3.49Å; E188-R192 VanDerWaalsContact O-N 3.08Å; E188-K549 IonicContact OE1-NZ 2.82Å; E188-K549 IonicContact OE2-NZ 2.74Å; E188-K549 PolarHBondContact OE2-NZ 3.3Å; E188-Q877 PolarHBondContact OE1-NE2 3.41Å |
| 189 | I | 86.7 | Confident | 90.1 | Very high | 35 Ų | 35 | 43.3 Ų | 43.3 | 18% | 0.179 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.8 | -47 | 178.3 | -60.3 | 164.5 | 0 | 0 | 0 | 111 | V185 H186 R187 I191 R192 C193 E239 V243 | V185-I189 HydrophobicContact CG1-CD1 4.03Å; V185-I189 WeakPolarHBondContact O-CG1 3.35Å; V185-I189 PolarHBondContact O-N 3.34Å; H186-I189 PolarHBondContact O-N 3.44Å; R187-I189 VanDerWaalsContact C-N 3.32Å; R187-I189 PolarHBondContact O-N 2.97Å; I189-I191 PolarHBondContact O-N 3.13Å; I189-R192 PolarHBondContact O-N 3.47Å; I189-C193 PolarHBondContact O-N 2.99Å; I189-C193 PolarHBondContact O-SG 3.21Å; I189-E239 HydrophobicContact CG2-CG 4.02Å; I189-V243 HydrophobicContact CB-CG2 4.23Å; I189-V243 HydrophobicContact CD1-CG2 4.41Å; I189-V243 HydrophobicContact CG2-CG2 3.69Å |
| 190 | L | 93.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.9 | -43.9 | 179.1 | -71.4 | 179.1 | 0 | 0 | 0 | 112.1 | T174 E178 L181 H186 R187 C193 I194 V240 V243 L244 | T174-L190 HydrophobicContact CG2-CB 4.14Å; T174-L190 HydrophobicContact CG2-CD1 4.32Å; T174-L190 HydrophobicContact CG2-CD2 3.9Å; T174-L190 HydrophobicContact CG2-CG 4.34Å; E178-L190 HydrophobicContact CB-CB 4.34Å; E178-L190 HydrophobicContact CB-CD1 4.13Å; L181-L190 HydrophobicContact CD1-CD1 3.7Å; H186-L190 WeakPolarHBondContact O-CG 3.34Å; H186-L190 PolarHBondContact O-N 3.35Å; R187-L190 PolarHBondContact O-N 3.03Å; L190-C193 PolarHBondContact O-N 2.87Å; L190-I194 WeakPolarHBondContact O-CG1 3.06Å; L190-I194 PolarHBondContact O-N 2.88Å; L190-V240 HydrophobicContact CD2-CB 4.45Å; L190-V240 HydrophobicContact CD2-CG1 4.15Å; L190-V240 HydrophobicContact CD2-CG2 4.48Å; L190-V243 HydrophobicContact CD1-CG1 4.29Å; L190-V243 HydrophobicContact CD2-CB 3.84Å; L190-V243 HydrophobicContact CD2-CG1 3.84Å; L190-V243 HydrophobicContact CG-CB 4.29Å; L190-V243 HydrophobicContact CG-CG1 3.71Å; L190-L244 HydrophobicContact CD1-CD2 4.16Å; L190-L244 HydrophobicContact CD2-CD2 4.41Å; L190-L244 HydrophobicContact CD2-CG 4.2Å |
| 191 | I | 94.6 | Very high | 90.2 | Very high | 74 Ų | 74 | 35.7 Ų | 35.7 | 38% | 0.379 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -59.1 | -49.2 | 176.8 | -68.2 | 164.9 | 0 | 0 | 0 | 110.1 | E178 R187 I189 C193 I194 D195 | E178-I191 HydrophobicContact CG-CG1 4.3Å; R187-I191 VanDerWaalsContact O-CG1 3.26Å; R187-I191 WeakPolarHBondContact O-CG1 3.49Å; R187-I191 PolarHBondContact O-N 3.49Å; I189-I191 PolarHBondContact O-N 3.13Å; I191-C193 PolarHBondContact O-N 3.49Å; I191-I194 PolarHBondContact O-N 2.95Å; I191-D195 PolarHBondContact O-N 3.17Å |
| 192 | R | 91.8 | Very high | 90.3 | Very high | 107 Ų | 107 | 39.1 Ų | 39.1 | 40% | 0.404 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -58 | -46.7 | 178.4 | -175.2 | -157.4 | 67.1 | 75.8 | 3.8 | 112.1 | E188 I189 D195 S196 E236 | E188-R192 WeakPolarHBondContact O-CB 3.34Å; E188-R192 PolarHBondContact O-N 3.49Å; E188-R192 VanDerWaalsContact O-N 3.08Å; I189-R192 PolarHBondContact O-N 3.47Å; R192-D195 PolarHBondContact O-N 2.96Å; R192-S196 WeakPolarHBondContact O-CB 3.45Å; R192-S196 PolarHBondContact O-N 2.59Å; R192-E236 IonicContact CZ-OE1 2.83Å; R192-E236 IonicContact CZ-OE2 3.25Å; R192-E236 VanDerWaalsContact CZ-OE2 3.3Å; R192-E236 IonicContact NH1-OE1 2.66Å; R192-E236 PolarHBondContact NH1-OE1 3.23Å; R192-E236 IonicContact NH1-OE2 2.95Å; R192-E236 PolarHBondContact NH1-OE2 3.36Å; R192-E236 IonicContact NH2-OE1 3.56Å; R192-E236 IonicContact NH2-OE2 2.79Å; R192-E236 PolarHBondContact NH2-OE2 2.88Å |
| 193 | C | 93 | Very high | 90.7 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.4 | -44.8 | -179.6 | -62.6 | 0 | 0 | 0 | 0 | 111.4 | I189 L190 I191 S196 V197 E236 V240 | I189-C193 PolarHBondContact O-N 2.99Å; I189-C193 PolarHBondContact O-SG 3.21Å; L190-C193 PolarHBondContact O-N 2.87Å; I191-C193 PolarHBondContact O-N 3.49Å; C193-S196 WeakPolarHBondContact O-CB 3.38Å; C193-S196 PolarHBondContact O-N 2.92Å; C193-V197 WeakPolarHBondContact O-CG2 3.36Å; C193-V197 PolarHBondContact O-N 3.37Å; C193-E236 PolarHBondContact SG-OE2 3.34Å; C193-V240 HydrophobicContact CB-CG2 3.42Å; C193-V240 VanDerWaalsContact CB-CG2 3.42Å |
| 194 | I | 96.6 | Very high | 91.3 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.2 | -42.7 | 179.5 | -69.9 | -54.1 | 0 | 0 | 0 | 111.7 | M170 T174 E175 L190 I191 S196 V197 K198 V240 | M170-I194 HydrophobicContact CE-CD1 4.21Å; T174-I194 HydrophobicContact CG2-CD1 3.9Å; T174-I194 HydrophobicContact CG2-CG1 3.67Å; E175-I194 HydrophobicContact CG-CG2 4.49Å; L190-I194 WeakPolarHBondContact O-CG1 3.06Å; L190-I194 PolarHBondContact O-N 2.88Å; I191-I194 PolarHBondContact O-N 2.95Å; I194-S196 VanDerWaalsContact C-N 3.31Å; I194-S196 PolarHBondContact O-N 3.47Å; I194-V197 PolarHBondContact O-N 2.87Å; I194-K198 HydrophobicContact CG2-CD 4.15Å; I194-K198 WeakPolarHBondContact O-CG 3.01Å; I194-K198 PolarHBondContact O-N 2.87Å; I194-V240 HydrophobicContact CD1-CG2 4.21Å |
| 195 | D | 94.3 | Very high | 92 | Very high | 82 Ų | 82 | 38 Ų | 38 | 44% | 0.439 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63 | -39.4 | 175.6 | -73.8 | -16.2 | 0 | 0 | 0 | 111.5 | I191 R192 K198 T199 | I191-D195 PolarHBondContact O-N 3.17Å; R192-D195 PolarHBondContact O-N 2.96Å; D195-K198 PolarHBondContact O-N 2.61Å; D195-K198 IonicContact OD1-NZ 3.65Å; D195-T199 PolarHBondContact O-N 3.46Å; D195-T199 PolarHBondContact O-OG1 3.34Å |
| 196 | S | 91.9 | Very high | 92.7 | Very high | 29 Ų | 29 | 37 Ų | 37 | 20% | 0.203 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.8 | -46 | 174.7 | -168.2 | 0 | 0 | 0 | 0 | 112.3 | R192 C193 I194 K198 T199 L200 | R192-S196 WeakPolarHBondContact O-CB 3.45Å; R192-S196 PolarHBondContact O-N 2.59Å; C193-S196 WeakPolarHBondContact O-CB 3.38Å; C193-S196 PolarHBondContact O-N 2.92Å; I194-S196 VanDerWaalsContact C-N 3.31Å; I194-S196 PolarHBondContact O-N 3.47Å; S196-K198 PolarHBondContact O-N 2.91Å; S196-T199 PolarHBondContact O-N 3.34Å; S196-L200 WeakPolarHBondContact O-CB 3.31Å; S196-L200 VanDerWaalsContact O-CG 3.28Å; S196-L200 WeakPolarHBondContact O-CG 3.45Å; S196-L200 PolarHBondContact O-N 3.48Å; S196-L200 WeakPolarHBondContact OG-CD1 3.43Å |
| 197 | V | 96 | Very high | 93.1 | Very high | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.018 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.8 | -42.7 | 177.8 | 172.2 | 0 | 0 | 0 | 0 | 111.5 | L167 M170 C193 I194 T199 L200 A201 V233 E236 V237 | L167-V197 HydrophobicContact CD2-CG1 3.76Å; M170-V197 HydrophobicContact CE-CB 4.34Å; M170-V197 HydrophobicContact CE-CG1 3.77Å; M170-V197 HydrophobicContact CE-CG2 4.25Å; C193-V197 WeakPolarHBondContact O-CG2 3.36Å; C193-V197 PolarHBondContact O-N 3.37Å; I194-V197 PolarHBondContact O-N 2.87Å; V197-T199 PolarHBondContact O-N 2.84Å; V197-L200 PolarHBondContact O-N 3.37Å; V197-A201 VanDerWaalsContact O-CB 3.3Å; V197-A201 WeakPolarHBondContact O-CB 3.3Å; V197-A201 PolarHBondContact O-N 3.38Å; V197-V233 HydrophobicContact CG1-CG1 4.42Å; V197-E236 HydrophobicContact CG2-CB 3.79Å; V197-V237 HydrophobicContact CG2-CG2 4.1Å |
| 198 | K | 94.7 | Very high | 93.3 | Very high | 91 Ų | 91 | 34.5 Ų | 34.5 | 40% | 0.396 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -60 | -34.9 | 177.9 | -75.1 | 171.7 | -178.1 | 167.6 | 0 | 112.7 | E175 I194 D195 S196 P202 | E175-K198 WeakPolarHBondContact OE1-CE 3.46Å; E175-K198 IonicContact OE1-NZ 2.88Å; E175-K198 PolarHBondContact OE1-NZ 3.19Å; I194-K198 HydrophobicContact CG2-CD 4.15Å; I194-K198 WeakPolarHBondContact O-CG 3.01Å; I194-K198 PolarHBondContact O-N 2.87Å; D195-K198 PolarHBondContact O-N 2.61Å; D195-K198 IonicContact OD1-NZ 3.65Å; S196-K198 PolarHBondContact O-N 2.91Å; K198-P202 WeakPolarHBondContact O-CD 3.24Å; K198-P202 WeakPolarHBondContact O-CG 3.32Å |
| 199 | T | 92.3 | Very high | 93.6 | Very high | 56 Ų | 56 | 34.8 Ų | 34.8 | 34% | 0.344 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -78.7 | -45.6 | 177 | -61.8 | 0 | 0 | 0 | 0 | 112.1 | D195 S196 V197 P202 I203 E594 | D195-T199 PolarHBondContact O-N 3.46Å; D195-T199 PolarHBondContact O-OG1 3.34Å; S196-T199 PolarHBondContact O-N 3.34Å; V197-T199 PolarHBondContact O-N 2.84Å; T199-P202 WeakPolarHBondContact O-CD 3.43Å; T199-I203 HydrophobicContact CG2-CD1 4.24Å; T199-I203 WeakPolarHBondContact O-CD1 3.4Å; T199-I203 WeakPolarHBondContact O-CG1 3.44Å; T199-E594 HydrophobicContact CG2-CG 4.46Å; T199-E594 WeakPolarHBondContact CG2-OE1 3.47Å |
| 200 | L | 94.2 | Very high | 93.8 | Very high | 19 Ų | 19 | 33.2 Ų | 33.2 | 10% | 0.099 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -76.9 | -34.4 | -172.1 | -68.6 | 174.2 | 0 | 0 | 0 | 113.7 | S196 V197 I203 L204 L229 R232 V233 | S196-L200 WeakPolarHBondContact O-CB 3.31Å; S196-L200 VanDerWaalsContact O-CG 3.28Å; S196-L200 WeakPolarHBondContact O-CG 3.45Å; S196-L200 PolarHBondContact O-N 3.48Å; S196-L200 WeakPolarHBondContact OG-CD1 3.43Å; V197-L200 PolarHBondContact O-N 3.37Å; L200-I203 PolarHBondContact O-N 3.06Å; L200-I203 VanDerWaalsContact O-N 3.17Å; L200-L204 PolarHBondContact O-N 3.05Å; L200-L229 HydrophobicContact CD2-CD2 4.06Å; L200-R232 HydrophobicContact CD1-CB 3.87Å; L200-V233 HydrophobicContact CB-CG2 3.63Å; L200-V233 HydrophobicContact CD1-CG2 4.47Å |
| 201 | A | 95.1 | Very high | 93.7 | Very high | 10 Ų | 10 | 34.3 Ų | 34.3 | 8% | 0.083 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62 | -45.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L167 V197 I203 L204 I205 | L167-A201 HydrophobicContact CD1-CB 3.77Å; L167-A201 HydrophobicContact CD2-CB 4.42Å; V197-A201 VanDerWaalsContact O-CB 3.3Å; V197-A201 WeakPolarHBondContact O-CB 3.3Å; V197-A201 PolarHBondContact O-N 3.38Å; A201-I203 VanDerWaalsContact C-N 3.32Å; A201-I203 PolarHBondContact O-N 3.05Å; A201-L204 WeakPolarHBondContact O-CB 3.21Å; A201-L204 PolarHBondContact O-N 3.42Å; A201-I205 WeakPolarHBondContact O-CG1 3.27Å; A201-I205 PolarHBondContact O-N 3.42Å; A201-I205 VanDerWaalsContact O-N 3.09Å |
| 202 | P | 93.5 | Very high | 93.6 | Very high | 75 Ų | 75 | 32 Ų | 32 | 49% | 0.487 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -60.4 | -38 | 172 | -25 | 35.1 | 0 | 0 | 0 | 113.7 | K198 T199 I205 C206 | K198-P202 WeakPolarHBondContact O-CD 3.24Å; K198-P202 WeakPolarHBondContact O-CG 3.32Å; T199-P202 WeakPolarHBondContact O-CD 3.43Å; P202-I205 PolarHBondContact O-N 3.09Å; P202-C206 PolarHBondContact O-N 3.21Å |
| 203 | I | 94.4 | Very high | 93.5 | Very high | 9 Ų | 9 | 30.5 Ų | 30.5 | 5% | 0.046 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.6 | -39.5 | 178.8 | -56.6 | 175.2 | 0 | 0 | 0 | 110.3 | T199 L200 A201 C206 A207 L229 N590 L591 E594 | T199-I203 HydrophobicContact CG2-CD1 4.24Å; T199-I203 WeakPolarHBondContact O-CD1 3.4Å; T199-I203 WeakPolarHBondContact O-CG1 3.44Å; L200-I203 PolarHBondContact O-N 3.06Å; L200-I203 VanDerWaalsContact O-N 3.17Å; A201-I203 VanDerWaalsContact C-N 3.32Å; A201-I203 PolarHBondContact O-N 3.05Å; I203-C206 WeakPolarHBondContact O-CB 3.46Å; I203-C206 PolarHBondContact O-N 3.42Å; I203-A207 PolarHBondContact O-N 3.43Å; I203-L229 HydrophobicContact CB-CD2 4.31Å; I203-L229 HydrophobicContact CG2-CD1 3.73Å; I203-L229 HydrophobicContact CG2-CD2 3.85Å; I203-L229 HydrophobicContact CG2-CG 4.47Å; I203-N590 HydrophobicContact CD1-CB 4.41Å; I203-N590 HydrophobicContact CG1-CB 4.18Å; I203-N590 HydrophobicContact CG2-CB 4.5Å; I203-L591 HydrophobicContact CG2-CD2 4.07Å; I203-L591 HydrophobicContact CG2-CG 4.28Å; I203-E594 HydrophobicContact CD1-CG 3.57Å |
| 204 | L | 95.2 | Very high | 93.2 | Very high | 4 Ų | 4 | 30.7 Ų | 30.7 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.4 | -46.8 | 172.7 | 173.4 | 59.6 | 0 | 0 | 0 | 111.6 | L144 L200 A201 C206 A207 M208 R226 L229 V233 | L144-L204 HydrophobicContact CD2-CD2 3.64Å; L200-L204 PolarHBondContact O-N 3.05Å; A201-L204 WeakPolarHBondContact O-CB 3.21Å; A201-L204 PolarHBondContact O-N 3.42Å; L204-C206 VanDerWaalsContact C-N 3.27Å; L204-C206 PolarHBondContact O-N 2.75Å; L204-A207 WeakPolarHBondContact O-CB 3.24Å; L204-A207 PolarHBondContact O-N 3.39Å; L204-A207 VanDerWaalsContact O-N 3.14Å; L204-M208 HydrophobicContact CD1-CG 4.16Å; L204-M208 HydrophobicContact CD1-SD 4.16Å; L204-M208 HydrophobicContact CG-SD 4.02Å; L204-M208 VanDerWaalsContact O-CG 3.3Å; L204-M208 WeakPolarHBondContact O-CG 3.4Å; L204-M208 PolarHBondContact O-N 3.19Å; L204-R226 HydrophobicContact CD1-CG 4.19Å; L204-L229 HydrophobicContact CB-CB 4.08Å; L204-L229 HydrophobicContact CD1-CB 3.92Å; L204-V233 HydrophobicContact CD2-CG2 4.44Å |
| 205 | I | 94.1 | Very high | 92.3 | Very high | 42 Ų | 42 | 32.9 Ų | 32.9 | 22% | 0.215 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.8 | -41.6 | 178 | -65.2 | 165.7 | 0 | 0 | 0 | 110.5 | V160 A201 P202 M208 K209 | V160-I205 HydrophobicContact CG1-CD1 4.39Å; V160-I205 HydrophobicContact CG2-CB 4.45Å; V160-I205 HydrophobicContact CG2-CD1 4.1Å; V160-I205 HydrophobicContact CG2-CG1 4.06Å; V160-I205 HydrophobicContact CG2-CG2 3.55Å; A201-I205 WeakPolarHBondContact O-CG1 3.27Å; A201-I205 PolarHBondContact O-N 3.42Å; A201-I205 VanDerWaalsContact O-N 3.09Å; P202-I205 PolarHBondContact O-N 3.09Å; I205-M208 PolarHBondContact O-N 2.86Å; I205-K209 PolarHBondContact O-N 3.47Å |
| 206 | C | 93.6 | Very high | 91.2 | Very high | 14 Ų | 14 | 34.3 Ų | 34.3 | 10% | 0.095 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.9 | -46.2 | 174.4 | -164.6 | 0 | 0 | 0 | 0 | 111.6 | P202 I203 L204 M208 K209 I210 | P202-C206 PolarHBondContact O-N 3.21Å; I203-C206 WeakPolarHBondContact O-CB 3.46Å; I203-C206 PolarHBondContact O-N 3.42Å; L204-C206 VanDerWaalsContact C-N 3.27Å; L204-C206 PolarHBondContact O-N 2.75Å; C206-M208 VanDerWaalsContact C-N 3.33Å; C206-M208 PolarHBondContact O-N 3.02Å; C206-K209 WeakPolarHBondContact O-CB 3.4Å; C206-K209 PolarHBondContact O-N 2.93Å; C206-I210 WeakPolarHBondContact O-CG1 3.45Å; C206-I210 PolarHBondContact O-N 3.22Å |
| 207 | A | 93.3 | Very high | 90.2 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.008 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.8 | -39.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I203 L204 I210 F211 R226 L229 | I203-A207 PolarHBondContact O-N 3.43Å; L204-A207 WeakPolarHBondContact O-CB 3.24Å; L204-A207 PolarHBondContact O-N 3.39Å; L204-A207 VanDerWaalsContact O-N 3.14Å; A207-I210 PolarHBondContact O-N 3.29Å; A207-F211 WeakPolarHBondContact O-CB 3.27Å; A207-F211 PolarHBondContact O-N 2.6Å; A207-R226 HydrophobicContact CB-CB 4.4Å; A207-L229 HydrophobicContact CB-CD1 3.58Å |
| 208 | M | 93.8 | Very high | 88.7 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.7 | -43.9 | 174.6 | -66.3 | 167.9 | 73.9 | 0 | 0 | 111.7 | I150 L156 F159 L204 I205 C206 I210 F211 I212 R226 | I150-M208 HydrophobicContact CB-CE 4.03Å; I150-M208 HydrophobicContact CD1-CE 3.41Å; I150-M208 VanDerWaalsContact CD1-CE 3.41Å; I150-M208 HydrophobicContact CG1-CE 4.29Å; I150-M208 HydrophobicContact CG2-CE 4.16Å; L156-M208 HydrophobicContact CD1-CB 3.75Å; L156-M208 HydrophobicContact CD1-CE 3.83Å; L156-M208 HydrophobicContact CD1-SD 4.22Å; F159-M208 HydrophobicContact CD1-CE 3.69Å; F159-M208 HydrophobicContact CD1-SD 4.19Å; F159-M208 HydrophobicContact CE1-CE 3.69Å; F159-M208 HydrophobicContact CE1-SD 3.71Å; F159-M208 HydrophobicContact CG-CE 4.16Å; F159-M208 HydrophobicContact CZ-CE 4.16Å; F159-M208 HydrophobicContact CZ-SD 4.28Å; L204-M208 HydrophobicContact CD1-CG 4.16Å; L204-M208 HydrophobicContact CD1-SD 4.16Å; L204-M208 HydrophobicContact CG-SD 4.02Å; L204-M208 VanDerWaalsContact O-CG 3.3Å; L204-M208 WeakPolarHBondContact O-CG 3.4Å; L204-M208 PolarHBondContact O-N 3.19Å; I205-M208 PolarHBondContact O-N 2.86Å; C206-M208 VanDerWaalsContact C-N 3.33Å; C206-M208 PolarHBondContact O-N 3.02Å; M208-I210 VanDerWaalsContact C-N 3.3Å; M208-I210 PolarHBondContact O-N 2.95Å; M208-F211 PolarHBondContact O-N 3.18Å; M208-I212 WeakPolarHBondContact O-CG1 3.28Å; M208-I212 PolarHBondContact O-N 3.18Å; M208-R226 HydrophobicContact CG-CG 3.76Å |
| 209 | K | 92.9 | Very high | 87.8 | Confident | 73 Ų | 73 | 38.8 Ų | 38.8 | 32% | 0.317 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.1 | -44.5 | 174.9 | -175.2 | -175.3 | 175.1 | -174 | 0 | 111.2 | M153 L156 I205 C206 I212 Q213 A583 | M153-K209 HydrophobicContact CE-CG 4.11Å; L156-K209 HydrophobicContact CD2-CB 3.75Å; L156-K209 HydrophobicContact CD2-CG 4.35Å; I205-K209 PolarHBondContact O-N 3.47Å; C206-K209 WeakPolarHBondContact O-CB 3.4Å; C206-K209 PolarHBondContact O-N 2.93Å; K209-I212 PolarHBondContact O-N 3.44Å; K209-Q213 VanDerWaalsContact O-CG 3.31Å; K209-Q213 WeakPolarHBondContact O-CG 3.4Å; K209-Q213 PolarHBondContact O-N 2.86Å; K209-Q213 VanDerWaalsContact O-N 3.11Å; K209-A583 HydrophobicContact CD-CB 4.22Å |
| 210 | I | 91.2 | Very high | 87.5 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.8 | -49.7 | 177.2 | -67.9 | -56.5 | 0 | 0 | 0 | 112 | C206 A207 M208 I212 Q213 I214 I574 A583 A584 H587 | C206-I210 WeakPolarHBondContact O-CG1 3.45Å; C206-I210 PolarHBondContact O-N 3.22Å; A207-I210 PolarHBondContact O-N 3.29Å; M208-I210 VanDerWaalsContact C-N 3.3Å; M208-I210 PolarHBondContact O-N 2.95Å; I210-I212 PolarHBondContact O-N 2.97Å; I210-Q213 PolarHBondContact O-N 2.91Å; I210-I214 HydrophobicContact CG2-CD1 3.66Å; I210-I214 HydrophobicContact CG2-CG1 4.39Å; I210-I214 WeakPolarHBondContact O-CG1 3.33Å; I210-I214 PolarHBondContact O-N 3.34Å; I210-I214 VanDerWaalsContact O-N 3.08Å; I210-I574 HydrophobicContact CG2-CD1 4.23Å; I210-I574 HydrophobicContact CG2-CG2 3.86Å; I210-A583 HydrophobicContact CD1-CB 3.42Å; I210-A583 VanDerWaalsContact CD1-CB 3.42Å; I210-A583 HydrophobicContact CG1-CB 4.43Å; I210-A584 HydrophobicContact CD1-CB 4.18Å; I210-A584 VanDerWaalsContact CD1-N 3.34Å; I210-H587 HydrophobicContact CG1-CB 3.99Å |
| 211 | F | 91.8 | Very high | 87.3 | Confident | 25 Ų | 25 | 40 Ų | 40 | 11% | 0.11 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -49.5 | -49.2 | 176.4 | 172 | -99.7 | 0 | 0 | 0 | 111 | E151 A207 M208 Q213 I214 S215 A222 A223 | E151-F211 HydrophobicContact CG-CE1 4.46Å; A207-F211 WeakPolarHBondContact O-CB 3.27Å; A207-F211 PolarHBondContact O-N 2.6Å; M208-F211 PolarHBondContact O-N 3.18Å; F211-Q213 PolarHBondContact O-N 3.15Å; F211-I214 PolarHBondContact O-N 3.26Å; F211-S215 VanDerWaalsContact O-CA 3.31Å; F211-S215 WeakPolarHBondContact O-CA 3.22Å; F211-S215 WeakPolarHBondContact O-CB 3.37Å; F211-S215 PolarHBondContact O-N 2.87Å; F211-A222 HydrophobicContact CB-CB 4.29Å; F211-A222 HydrophobicContact CD2-CB 4.22Å; F211-A223 HydrophobicContact CD2-CB 4.05Å; F211-A223 HydrophobicContact CE2-CB 3.87Å |
| 212 | I | 91.5 | Very high | 87 | Confident | 25 Ų | 25 | 39.6 Ų | 39.6 | 13% | 0.128 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62 | -44.8 | 178.6 | -67.5 | 160.3 | 0 | 0 | 0 | 112.2 | I150 N152 M153 L156 M208 K209 I210 I214 | I150-I212 HydrophobicContact CG2-CD1 4.02Å; N152-I212 VanDerWaalsContact O-CD1 3.23Å; N152-I212 WeakPolarHBondContact O-CD1 3.29Å; M153-I212 HydrophobicContact CE-CG2 4.34Å; L156-I212 HydrophobicContact CB-CD1 3.67Å; L156-I212 HydrophobicContact CD2-CD1 3.87Å; L156-I212 HydrophobicContact CG-CD1 4.3Å; M208-I212 WeakPolarHBondContact O-CG1 3.28Å; M208-I212 PolarHBondContact O-N 3.18Å; K209-I212 PolarHBondContact O-N 3.44Å; I210-I212 PolarHBondContact O-N 2.97Å; I212-I214 VanDerWaalsContact C-N 3.29Å; I212-I214 PolarHBondContact O-N 2.82Å |
| 213 | Q | 89.3 | Confident | 86.8 | Confident | 76 Ų | 76 | 37 Ų | 37 | 36% | 0.355 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.8 | -29 | -176.4 | -75.2 | 178.9 | -16 | 0 | 0 | 113.7 | M153 K209 I210 F211 N581 | M153-Q213 HydrophobicContact CE-CG 4.27Å; K209-Q213 VanDerWaalsContact O-CG 3.31Å; K209-Q213 WeakPolarHBondContact O-CG 3.4Å; K209-Q213 PolarHBondContact O-N 2.86Å; K209-Q213 VanDerWaalsContact O-N 3.11Å; I210-Q213 PolarHBondContact O-N 2.91Å; F211-Q213 PolarHBondContact O-N 3.15Å; Q213-N581 PolarHBondContact OE1-ND2 3.45Å; Q213-N581 PolarHBondContact OE1-OD1 3.07Å |
| 214 | I | 86.4 | Confident | 86.7 | Confident | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -115.4 | 2.3 | -176.8 | 73.7 | -169.7 | 0 | 0 | 0 | 113.6 | I210 F211 I212 S216 Q217 I219 A222 I574 Y578 | I210-I214 HydrophobicContact CG2-CD1 3.66Å; I210-I214 HydrophobicContact CG2-CG1 4.39Å; I210-I214 WeakPolarHBondContact O-CG1 3.33Å; I210-I214 PolarHBondContact O-N 3.34Å; I210-I214 VanDerWaalsContact O-N 3.08Å; F211-I214 PolarHBondContact O-N 3.26Å; I212-I214 VanDerWaalsContact C-N 3.29Å; I212-I214 PolarHBondContact O-N 2.82Å; I214-S216 PolarHBondContact O-N 2.86Å; I214-Q217 PolarHBondContact O-N 2.73Å; I214-I219 HydrophobicContact CD1-CB 4.49Å; I214-I219 HydrophobicContact CD1-CD1 4.27Å; I214-I219 HydrophobicContact CD1-CG2 4.32Å; I214-A222 HydrophobicContact CD1-CB 3.83Å; I214-A222 HydrophobicContact CG1-CB 4.14Å; I214-I574 HydrophobicContact CD1-CB 4.43Å; I214-I574 HydrophobicContact CD1-CD1 4.24Å; I214-I574 HydrophobicContact CD1-CG1 4.07Å; I214-I574 HydrophobicContact CD1-CG2 3.54Å; I214-Y578 HydrophobicContact CB-CE2 3.95Å; I214-Y578 HydrophobicContact CD1-CD2 4.43Å; I214-Y578 HydrophobicContact CD1-CE2 3.97Å; I214-Y578 HydrophobicContact CG2-CD1 4.45Å; I214-Y578 HydrophobicContact CG2-CD2 3.88Å; I214-Y578 HydrophobicContact CG2-CE1 4.23Å; I214-Y578 HydrophobicContact CG2-CE2 3.63Å; I214-Y578 HydrophobicContact CG2-CG 4.28Å |
| 215 | S | 78 | Confident | 86.6 | Confident | 50 Ų | 50 | 41.1 Ų | 41.1 | 35% | 0.35 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -54.3 | -37.9 | -178.8 | -178.7 | 0 | 0 | 0 | 0 | 112.3 | F211 Q217 G218 | F211-S215 VanDerWaalsContact O-CA 3.31Å; F211-S215 WeakPolarHBondContact O-CA 3.22Å; F211-S215 WeakPolarHBondContact O-CB 3.37Å; F211-S215 PolarHBondContact O-N 2.87Å; S215-Q217 PolarHBondContact O-N 3.36Å; S215-G218 PolarHBondContact O-N 3.3Å |
| 216 | S | 71.8 | Confident | 86.5 | Confident | 111 Ų | 111 | 39.7 Ų | 39.7 | 78% | 0.776 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -59.9 | -16.6 | 178.3 | 59.8 | 0 | 0 | 0 | 0 | 114.3 | I214 | I214-S216 PolarHBondContact O-N 2.86Š|
| 217 | Q | 71.2 | Confident | 86.4 | Confident | 123 Ų | 123 | 40.8 Ų | 40.8 | 58% | 0.575 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -99.4 | -1.1 | -179.2 | -51.9 | -160.9 | 13.9 | 0 | 0 | 113.2 | I214 S215 I219 Y578 | I214-Q217 PolarHBondContact O-N 2.73Å; S215-Q217 PolarHBondContact O-N 3.36Å; Q217-I219 HydrophobicContact CB-CD1 4.41Å; Q217-I219 HydrophobicContact CB-CG1 4.27Å; Q217-Y578 WeakPolarHBondContact CB-OH 3.29Å; Q217-Y578 PolarHBondContact OE1-OH 3.48Å |
| 218 | G | 65.1 | Low | 86.3 | Confident | 63 Ų | 63 | 42.3 Ų | 42.3 | 65% | 0.649 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | 35.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | S215 P220 | S215-G218 PolarHBondContact O-N 3.3Å; G218-P220 VanDerWaalsContact O-CD 3.24Å; G218-P220 WeakPolarHBondContact O-CD 3.33Å |
| 219 | I | 74.6 | Confident | 86.3 | Confident | 31 Ų | 31 | 42.3 Ų | 42.3 | 16% | 0.159 | 24% | 0.242 | C | C | . | . | trans | -84.8 | 109.6 | -175.3 | -67.5 | -173.7 | 0 | 0 | 0 | 111.1 | I214 Q217 E221 I574 Y578 | I214-I219 HydrophobicContact CD1-CB 4.49Å; I214-I219 HydrophobicContact CD1-CD1 4.27Å; I214-I219 HydrophobicContact CD1-CG2 4.32Å; Q217-I219 HydrophobicContact CB-CD1 4.41Å; Q217-I219 HydrophobicContact CB-CG1 4.27Å; I219-E221 VanDerWaalsContact C-N 3.29Å; I219-E221 HydrophobicContact CG2-CB 3.97Å; I219-E221 WeakPolarHBondContact CG2-OE2 3.17Å; I219-E221 PolarHBondContact O-N 3.38Å; I219-I574 HydrophobicContact CG2-CG1 4.34Å; I219-Y578 HydrophobicContact CD1-CE2 3.41Å; I219-Y578 VanDerWaalsContact CD1-CE2 3.41Å; I219-Y578 WeakPolarHBondContact CD1-OH 3.49Å | ||
| 220 | P | 85.7 | Confident | 86.3 | Confident | 76 Ų | 76 | 39 Ų | 39 | 49% | 0.494 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.6 | -30.1 | -179.6 | 26.2 | -34.3 | 0 | 0 | 0 | 113.1 | G218 A222 A223 E224 | G218-P220 VanDerWaalsContact O-CD 3.24Å; G218-P220 WeakPolarHBondContact O-CD 3.33Å; P220-A222 VanDerWaalsContact C-N 3.27Å; P220-A222 PolarHBondContact O-N 2.94Å; P220-A223 WeakPolarHBondContact O-CB 3.48Å; P220-A223 PolarHBondContact O-N 2.89Å; P220-A223 VanDerWaalsContact O-N 3.13Å; P220-E224 PolarHBondContact O-N 2.91Å |
| 221 | E | 89.8 | Confident | 86.3 | Confident | 24 Ų | 24 | 40.5 Ų | 40.5 | 11% | 0.112 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.5 | -36.9 | -175.5 | -68.9 | 84.8 | 170.7 | 0 | 0 | 113 | I219 E224 N225 N570 K573 I574 | I219-E221 VanDerWaalsContact C-N 3.29Å; I219-E221 HydrophobicContact CG2-CB 3.97Å; I219-E221 WeakPolarHBondContact CG2-OE2 3.17Å; I219-E221 PolarHBondContact O-N 3.38Å; E221-E224 PolarHBondContact O-N 3.3Å; E221-N225 PolarHBondContact O-N 2.89Å; E221-N570 HydrophobicContact CB-CB 3.83Å; E221-N570 HydrophobicContact CG-CB 4.07Å; E221-K573 HydrophobicContact CG-CD 4.21Å; E221-K573 WeakPolarHBondContact OE1-CD 3.27Å; E221-K573 VanDerWaalsContact OE1-CE 3.32Å; E221-K573 WeakPolarHBondContact OE1-CE 3.43Å; E221-K573 IonicContact OE1-NZ 2.78Å; E221-K573 PolarHBondContact OE1-NZ 3.33Å; E221-I574 HydrophobicContact CB-CD1 4.25Å; E221-I574 HydrophobicContact CB-CG1 4.22Å |
| 222 | A | 90.4 | Very high | 86.2 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 2% | 0.017 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -70.3 | -40.1 | 180 | 0 | 0 | 0 | 0 | 0 | 111.7 | F211 I214 P220 R226 I574 | F211-A222 HydrophobicContact CB-CB 4.29Å; F211-A222 HydrophobicContact CD2-CB 4.22Å; I214-A222 HydrophobicContact CD1-CB 3.83Å; I214-A222 HydrophobicContact CG1-CB 4.14Å; P220-A222 VanDerWaalsContact C-N 3.27Å; P220-A222 PolarHBondContact O-N 2.94Å; A222-R226 WeakPolarHBondContact O-CB 3.18Å; A222-R226 PolarHBondContact O-N 3.01Å; A222-R226 VanDerWaalsContact O-N 3.09Å; A222-I574 HydrophobicContact CB-CD1 3.89Å |
| 223 | A | 89.7 | Confident | 86.4 | Confident | 22 Ų | 22 | 40 Ų | 40 | 18% | 0.182 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.2 | -41 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | F211 P220 R226 N227 | F211-A223 HydrophobicContact CD2-CB 4.05Å; F211-A223 HydrophobicContact CE2-CB 3.87Å; P220-A223 WeakPolarHBondContact O-CB 3.48Å; P220-A223 PolarHBondContact O-N 2.89Å; P220-A223 VanDerWaalsContact O-N 3.13Å; A223-R226 PolarHBondContact O-N 3.26Å; A223-N227 WeakPolarHBondContact O-CB 3.36Å; A223-N227 PolarHBondContact O-N 2.83Å; A223-N227 PolarHBondContact O-ND2 2.9Å; A223-N227 PolarHBondContact O-OD1 3.39Å |
| 224 | E | 90.5 | Very high | 86.5 | Confident | 97 Ų | 97 | 37.5 Ų | 37.5 | 45% | 0.453 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.6 | -48.1 | 175.4 | -73.4 | -178.6 | -170.3 | 0 | 0 | 112.1 | P220 E221 R226 N227 Y228 N570 | P220-E224 PolarHBondContact O-N 2.91Å; E221-E224 PolarHBondContact O-N 3.3Å; E224-R226 PolarHBondContact O-N 2.65Å; E224-N227 PolarHBondContact O-N 2.83Å; E224-Y228 WeakPolarHBondContact O-CB 3.49Å; E224-Y228 PolarHBondContact O-N 2.93Å; E224-N570 PolarHBondContact OE2-ND2 2.94Å |
| 225 | N | 93.1 | Very high | 86.6 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.3 | -48.9 | 176.5 | -78.1 | 177.3 | 0 | 0 | 0 | 112.1 | E221 Y228 L229 Q567 N570 H587 | E221-N225 PolarHBondContact O-N 2.89Å; N225-Y228 PolarHBondContact O-N 3.27Å; N225-L229 WeakPolarHBondContact O-CB 3.46Å; N225-L229 WeakPolarHBondContact O-CD1 3.25Å; N225-L229 WeakPolarHBondContact O-CG 3.42Å; N225-L229 PolarHBondContact O-N 2.92Å; N225-Q567 WeakPolarHBondContact ND2-CA 3.33Å; N225-Q567 PolarHBondContact ND2-O 3.39Å; N225-Q567 PolarHBondContact ND2-OE1 2.83Å; N225-N570 WeakPolarHBondContact ND2-CB 3.4Å; N225-H587 PolarHBondContact OD1-NE2 2.66Å |
| 226 | R | 93.2 | Very high | 87.2 | Confident | 13 Ų | 13 | 38.1 Ų | 38.1 | 5% | 0.049 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.3 | -48.6 | 178 | -178.6 | -166.7 | 66.2 | 174.1 | 4.8 | 111.6 | E148 L204 A207 M208 A222 A223 E224 Y228 L229 S230 | E148-R226 VanDerWaalsContact CA-CZ 3.48Å; E148-R226 PolarHBondContact O-NH1 3.12Å; E148-R226 PolarHBondContact O-NH2 3.31Å; L204-R226 HydrophobicContact CD1-CG 4.19Å; A207-R226 HydrophobicContact CB-CB 4.4Å; M208-R226 HydrophobicContact CG-CG 3.76Å; A222-R226 WeakPolarHBondContact O-CB 3.18Å; A222-R226 PolarHBondContact O-N 3.01Å; A222-R226 VanDerWaalsContact O-N 3.09Å; A223-R226 PolarHBondContact O-N 3.26Å; E224-R226 PolarHBondContact O-N 2.65Å; R226-Y228 PolarHBondContact O-N 2.88Å; R226-L229 PolarHBondContact O-N 2.95Å; R226-S230 WeakPolarHBondContact O-CB 3.23Å; R226-S230 PolarHBondContact O-N 3.26Å |
| 227 | N | 90.8 | Very high | 88.3 | Confident | 37 Ų | 37 | 32.9 Ų | 32.9 | 20% | 0.198 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.5 | -37.5 | -176.8 | -61.3 | -10.4 | 0 | 0 | 0 | 111.5 | E148 A223 E224 T231 K293 | E148-N227 PolarHBondContact OE1-OD1 3.46Å; A223-N227 WeakPolarHBondContact O-CB 3.36Å; A223-N227 PolarHBondContact O-N 2.83Å; A223-N227 PolarHBondContact O-ND2 2.9Å; A223-N227 PolarHBondContact O-OD1 3.39Å; E224-N227 PolarHBondContact O-N 2.83Å; N227-T231 WeakPolarHBondContact O-CB 3.49Å; N227-T231 PolarHBondContact O-N 3.21Å; N227-T231 PolarHBondContact O-OG1 2.67Å; N227-K293 PolarHBondContact ND2-NZ 2.93Å |
| 228 | Y | 91.6 | Very high | 89.2 | Confident | 33 Ų | 33 | 30.1 Ų | 30.1 | 13% | 0.129 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.3 | -51.9 | 173.5 | 170.7 | -98.8 | 0 | 0 | 0 | 111.4 | E224 N225 R226 S230 T231 R232 N563 M564 Q567 | E224-Y228 WeakPolarHBondContact O-CB 3.49Å; E224-Y228 PolarHBondContact O-N 2.93Å; N225-Y228 PolarHBondContact O-N 3.27Å; R226-Y228 PolarHBondContact O-N 2.88Å; Y228-S230 VanDerWaalsContact C-N 3.34Å; Y228-S230 PolarHBondContact O-N 2.86Å; Y228-T231 WeakPolarHBondContact O-CB 3.43Å; Y228-T231 PolarHBondContact O-N 3.43Å; Y228-R232 HydrophobicContact CD1-CG 4.34Å; Y228-R232 HydrophobicContact CD2-CG 4.37Å; Y228-R232 HydrophobicContact CE1-CG 3.91Å; Y228-R232 HydrophobicContact CE2-CG 3.91Å; Y228-R232 WeakPolarHBondContact O-CG 3.46Å; Y228-R232 PolarHBondContact O-N 3.3Å; Y228-N563 HydrophobicContact CE2-CB 3.91Å; Y228-M564 HydrophobicContact CE1-CG 4.45Å; Y228-Q567 HydrophobicContact CD1-CB 4.36Å; Y228-Q567 HydrophobicContact CD1-CG 3.58Å; Y228-Q567 HydrophobicContact CD2-CG 4.09Å; Y228-Q567 HydrophobicContact CE1-CG 3.95Å; Y228-Q567 HydrophobicContact CE2-CG 4.44Å; Y228-Q567 HydrophobicContact CG-CG 3.64Å |
| 229 | L | 94.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.1 | -41.5 | -179.3 | -71.6 | 163.1 | 0 | 0 | 0 | 111.6 | L200 I203 L204 A207 N225 R226 T231 R232 V233 L591 | L200-L229 HydrophobicContact CD2-CD2 4.06Å; I203-L229 HydrophobicContact CB-CD2 4.31Å; I203-L229 HydrophobicContact CG2-CD1 3.73Å; I203-L229 HydrophobicContact CG2-CD2 3.85Å; I203-L229 HydrophobicContact CG2-CG 4.47Å; L204-L229 HydrophobicContact CB-CB 4.08Å; L204-L229 HydrophobicContact CD1-CB 3.92Å; A207-L229 HydrophobicContact CB-CD1 3.58Å; N225-L229 WeakPolarHBondContact O-CB 3.46Å; N225-L229 WeakPolarHBondContact O-CD1 3.25Å; N225-L229 WeakPolarHBondContact O-CG 3.42Å; N225-L229 PolarHBondContact O-N 2.92Å; R226-L229 PolarHBondContact O-N 2.95Å; L229-T231 PolarHBondContact O-N 3.44Å; L229-R232 PolarHBondContact O-N 2.66Å; L229-V233 WeakPolarHBondContact O-CG2 3.35Å; L229-V233 PolarHBondContact O-N 3.39Å; L229-L591 HydrophobicContact CD2-CD2 4.4Å |
| 230 | S | 93.5 | Very high | 91.2 | Very high | 5 Ų | 5 | 27.7 Ų | 27.7 | 4% | 0.035 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.7 | -46.5 | 175 | -177.9 | 0 | 0 | 0 | 0 | 111.4 | S147 R226 Y228 R232 V233 V234 | S147-S230 PolarHBondContact OG-OG 3.32Å; R226-S230 WeakPolarHBondContact O-CB 3.23Å; R226-S230 PolarHBondContact O-N 3.26Å; Y228-S230 VanDerWaalsContact C-N 3.34Å; Y228-S230 PolarHBondContact O-N 2.86Å; S230-R232 PolarHBondContact O-N 3.04Å; S230-V233 PolarHBondContact O-N 3.33Å; S230-V234 WeakPolarHBondContact O-CB 3.35Å; S230-V234 VanDerWaalsContact O-CG2 3.29Å; S230-V234 WeakPolarHBondContact O-CG2 3.49Å; S230-V234 PolarHBondContact O-N 3.34Å |
| 231 | T | 89.7 | Confident | 91.5 | Very high | 31 Ų | 31 | 25 Ų | 25 | 19% | 0.19 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.3 | -45.4 | 176.6 | -55.3 | 0 | 0 | 0 | 0 | 111.9 | N227 Y228 L229 V234 E235 R297 | N227-T231 WeakPolarHBondContact O-CB 3.49Å; N227-T231 PolarHBondContact O-N 3.21Å; N227-T231 PolarHBondContact O-OG1 2.67Å; Y228-T231 WeakPolarHBondContact O-CB 3.43Å; Y228-T231 PolarHBondContact O-N 3.43Å; L229-T231 PolarHBondContact O-N 3.44Å; T231-V234 PolarHBondContact O-N 3.43Å; T231-E235 HydrophobicContact CG2-CG 4.44Å; T231-E235 WeakPolarHBondContact O-CG 3.5Å; T231-E235 PolarHBondContact O-N 3.34Å; T231-R297 PolarHBondContact OG1-NH2 2.69Å |
| 232 | R | 91.2 | Very high | 91.5 | Very high | 39 Ų | 39 | 26.1 Ų | 26.1 | 15% | 0.147 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.1 | -46.1 | 179.2 | -72 | -78.4 | 100.7 | 130.7 | -4.4 | 112.3 | L200 Y228 L229 S230 V234 E235 E236 N563 | L200-R232 HydrophobicContact CD1-CB 3.87Å; Y228-R232 HydrophobicContact CD1-CG 4.34Å; Y228-R232 HydrophobicContact CD2-CG 4.37Å; Y228-R232 HydrophobicContact CE1-CG 3.91Å; Y228-R232 HydrophobicContact CE2-CG 3.91Å; Y228-R232 WeakPolarHBondContact O-CG 3.46Å; Y228-R232 PolarHBondContact O-N 3.3Å; L229-R232 PolarHBondContact O-N 2.66Å; S230-R232 PolarHBondContact O-N 3.04Å; R232-V234 VanDerWaalsContact C-N 3.31Å; R232-V234 PolarHBondContact O-N 2.9Å; R232-E235 IonicContact CZ-OE2 2.75Å; R232-E235 IonicContact NE-OE2 3.14Å; R232-E235 PolarHBondContact NE-OE2 3.17Å; R232-E235 IonicContact NH2-OE1 2.77Å; R232-E235 PolarHBondContact NH2-OE1 2.94Å; R232-E235 IonicContact NH2-OE2 3.37Å; R232-E235 PolarHBondContact NH2-OE2 2.88Å; R232-E235 PolarHBondContact O-N 2.86Å; R232-E236 WeakPolarHBondContact O-CG 3.42Å; R232-E236 PolarHBondContact O-N 3.04Å; R232-E236 VanDerWaalsContact O-N 3.09Å; R232-N563 PolarHBondContact NH1-ND2 3.04Å |
| 233 | V | 94.5 | Very high | 91.4 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.006 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.6 | -41.6 | 177.3 | -178.7 | 0 | 0 | 0 | 0 | 110.4 | L144 V197 L200 L204 L229 S230 E235 E236 V237 | L144-V233 HydrophobicContact CD1-CB 4.18Å; L144-V233 HydrophobicContact CD1-CG1 3.55Å; L144-V233 HydrophobicContact CD2-CG1 4.21Å; V197-V233 HydrophobicContact CG1-CG1 4.42Å; L200-V233 HydrophobicContact CB-CG2 3.63Å; L200-V233 HydrophobicContact CD1-CG2 4.47Å; L204-V233 HydrophobicContact CD2-CG2 4.44Å; L229-V233 WeakPolarHBondContact O-CG2 3.35Å; L229-V233 PolarHBondContact O-N 3.39Å; S230-V233 PolarHBondContact O-N 3.33Å; V233-E235 PolarHBondContact O-N 3.21Å; V233-E236 PolarHBondContact O-N 3.15Å; V233-V237 HydrophobicContact CG1-CG2 4.33Å; V233-V237 VanDerWaalsContact O-CG2 3.27Å; V233-V237 WeakPolarHBondContact O-CG2 3.2Å; V233-V237 PolarHBondContact O-N 2.75Å |
| 234 | V | 92.3 | Very high | 91.5 | Very high | 24 Ų | 24 | 25.2 Ų | 25.2 | 15% | 0.145 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.4 | -43.3 | 176.3 | 167 | 0 | 0 | 0 | 0 | 112.1 | L141 L144 S230 T231 R232 V237 N238 | L141-V234 HydrophobicContact CD2-CB 4.24Å; L141-V234 HydrophobicContact CD2-CG1 3.98Å; L141-V234 HydrophobicContact CD2-CG2 4.09Å; L144-V234 HydrophobicContact CB-CG2 3.91Å; L144-V234 HydrophobicContact CD1-CG2 3.89Å; S230-V234 WeakPolarHBondContact O-CB 3.35Å; S230-V234 VanDerWaalsContact O-CG2 3.29Å; S230-V234 WeakPolarHBondContact O-CG2 3.49Å; S230-V234 PolarHBondContact O-N 3.34Å; T231-V234 PolarHBondContact O-N 3.43Å; R232-V234 VanDerWaalsContact C-N 3.31Å; R232-V234 PolarHBondContact O-N 2.9Å; V234-V237 PolarHBondContact O-N 3.41Å; V234-N238 WeakPolarHBondContact CG1-ND2 3.06Å; V234-N238 WeakPolarHBondContact O-CB 3.33Å; V234-N238 PolarHBondContact O-N 2.94Å; V234-N238 PolarHBondContact O-ND2 3.48Å |
| 235 | E | 87.2 | Confident | 91.5 | Very high | 47 Ų | 47 | 26.1 Ų | 26.1 | 22% | 0.22 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.5 | -44.5 | 177 | -74 | 171.1 | 153.5 | 0 | 0 | 111.9 | T231 R232 V233 N238 E239 | T231-E235 HydrophobicContact CG2-CG 4.44Å; T231-E235 WeakPolarHBondContact O-CG 3.5Å; T231-E235 PolarHBondContact O-N 3.34Å; R232-E235 IonicContact CZ-OE2 2.75Å; R232-E235 IonicContact NE-OE2 3.14Å; R232-E235 PolarHBondContact NE-OE2 3.17Å; R232-E235 IonicContact NH2-OE1 2.77Å; R232-E235 PolarHBondContact NH2-OE1 2.94Å; R232-E235 IonicContact NH2-OE2 3.37Å; R232-E235 PolarHBondContact NH2-OE2 2.88Å; R232-E235 PolarHBondContact O-N 2.86Å; V233-E235 PolarHBondContact O-N 3.21Å; E235-N238 PolarHBondContact O-N 3.17Å; E235-E239 PolarHBondContact O-N 3.35Å |
| 236 | E | 90.5 | Very high | 91.1 | Very high | 20 Ų | 20 | 27.7 Ų | 27.7 | 9% | 0.093 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67 | -38.8 | 178.7 | -64.6 | -64.7 | 164.3 | 0 | 0 | 112.1 | R192 C193 V197 R232 V233 E239 V240 | R192-E236 IonicContact CZ-OE1 2.83Å; R192-E236 IonicContact CZ-OE2 3.25Å; R192-E236 VanDerWaalsContact CZ-OE2 3.3Å; R192-E236 IonicContact NH1-OE1 2.66Å; R192-E236 PolarHBondContact NH1-OE1 3.23Å; R192-E236 IonicContact NH1-OE2 2.95Å; R192-E236 PolarHBondContact NH1-OE2 3.36Å; R192-E236 IonicContact NH2-OE1 3.56Å; R192-E236 IonicContact NH2-OE2 2.79Å; R192-E236 PolarHBondContact NH2-OE2 2.88Å; C193-E236 PolarHBondContact SG-OE2 3.34Å; V197-E236 HydrophobicContact CG2-CB 3.79Å; R232-E236 WeakPolarHBondContact O-CG 3.42Å; R232-E236 PolarHBondContact O-N 3.04Å; R232-E236 VanDerWaalsContact O-N 3.09Å; V233-E236 PolarHBondContact O-N 3.15Å; E236-E239 PolarHBondContact O-N 3.15Å; E236-V240 WeakPolarHBondContact O-CG2 3.48Å; E236-V240 PolarHBondContact O-N 3.48Å |
| 237 | V | 94.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.9 | -39.7 | 175.7 | 176 | 0 | 0 | 0 | 0 | 111.4 | C137 V140 L141 M170 V197 V233 V234 E239 V240 I241 | C137-V237 HydrophobicContact CB-CG1 3.97Å; V140-V237 HydrophobicContact CG1-CG2 4.21Å; L141-V237 HydrophobicContact CD1-CG1 4.15Å; L141-V237 HydrophobicContact CD2-CB 3.88Å; L141-V237 HydrophobicContact CD2-CG1 3.74Å; L141-V237 HydrophobicContact CG-CB 4.4Å; L141-V237 HydrophobicContact CG-CG1 3.69Å; M170-V237 HydrophobicContact CE-CG2 4.02Å; M170-V237 HydrophobicContact SD-CG1 4.05Å; M170-V237 HydrophobicContact SD-CG2 3.98Å; V197-V237 HydrophobicContact CG2-CG2 4.1Å; V233-V237 HydrophobicContact CG1-CG2 4.33Å; V233-V237 VanDerWaalsContact O-CG2 3.27Å; V233-V237 WeakPolarHBondContact O-CG2 3.2Å; V233-V237 PolarHBondContact O-N 2.75Å; V234-V237 PolarHBondContact O-N 3.41Å; V237-E239 VanDerWaalsContact C-N 3.32Å; V237-E239 PolarHBondContact O-N 2.88Å; V237-V240 WeakPolarHBondContact O-CB 3.48Å; V237-V240 PolarHBondContact O-N 2.9Å; V237-I241 HydrophobicContact CG1-CD1 4.43Å; V237-I241 WeakPolarHBondContact O-CG1 3.43Å; V237-I241 PolarHBondContact O-N 3.3Å |
| 238 | N | 90.5 | Very high | 89.5 | Confident | 66 Ų | 66 | 30.6 Ų | 30.6 | 35% | 0.353 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -64.9 | -36.3 | 174.5 | -78.4 | -43.5 | 0 | 0 | 0 | 112.1 | L141 V234 E235 I241 R242 | L141-N238 WeakPolarHBondContact CD1-OD1 3.48Å; V234-N238 WeakPolarHBondContact CG1-ND2 3.06Å; V234-N238 WeakPolarHBondContact O-CB 3.33Å; V234-N238 PolarHBondContact O-N 2.94Å; V234-N238 PolarHBondContact O-ND2 3.48Å; E235-N238 PolarHBondContact O-N 3.17Å; N238-I241 PolarHBondContact O-N 2.84Å; N238-R242 PolarHBondContact O-N 3.21Å |
| 239 | E | 88.2 | Confident | 88.2 | Confident | 42 Ų | 42 | 30.1 Ų | 30.1 | 20% | 0.196 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68 | -36.2 | 174.9 | -174.9 | 62.1 | -176.5 | 0 | 0 | 111.9 | I189 E235 E236 V237 R242 V243 | I189-E239 HydrophobicContact CG2-CG 4.02Å; E235-E239 PolarHBondContact O-N 3.35Å; E236-E239 PolarHBondContact O-N 3.15Å; V237-E239 VanDerWaalsContact C-N 3.32Å; V237-E239 PolarHBondContact O-N 2.88Å; E239-R242 PolarHBondContact O-N 3.04Å; E239-R242 IonicContact OE1-CZ 3.27Å; E239-R242 IonicContact OE1-NE 3.06Å; E239-R242 PolarHBondContact OE1-NE 3.41Å; E239-R242 IonicContact OE1-NH2 2.67Å; E239-R242 PolarHBondContact OE1-NH2 3.42Å; E239-R242 IonicContact OE2-CZ 3.39Å; E239-R242 IonicContact OE2-NE 3.67Å; E239-R242 PolarHBondContact OE2-NE 2.93Å; E239-R242 IonicContact OE2-NH2 3.65Å; E239-V243 HydrophobicContact CG-CG2 4.45Å; E239-V243 WeakPolarHBondContact O-CG2 3.48Å; E239-V243 PolarHBondContact O-N 3.36Å |
| 240 | V | 93.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.1 | -49.8 | 169.7 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | T174 L190 C193 I194 E236 V237 R242 V243 L244 | T174-V240 HydrophobicContact CG2-CG1 3.9Å; L190-V240 HydrophobicContact CD2-CB 4.45Å; L190-V240 HydrophobicContact CD2-CG1 4.15Å; L190-V240 HydrophobicContact CD2-CG2 4.48Å; C193-V240 HydrophobicContact CB-CG2 3.42Å; C193-V240 VanDerWaalsContact CB-CG2 3.42Å; I194-V240 HydrophobicContact CD1-CG2 4.21Å; E236-V240 WeakPolarHBondContact O-CG2 3.48Å; E236-V240 PolarHBondContact O-N 3.48Å; V237-V240 WeakPolarHBondContact O-CB 3.48Å; V237-V240 PolarHBondContact O-N 2.9Å; V240-R242 VanDerWaalsContact C-N 3.32Å; V240-R242 PolarHBondContact O-N 2.96Å; V240-V243 PolarHBondContact O-N 2.83Å; V240-L244 HydrophobicContact CG1-CD1 3.61Å; V240-L244 HydrophobicContact CG1-CG 4.15Å; V240-L244 WeakPolarHBondContact O-CB 3.39Å; V240-L244 WeakPolarHBondContact O-CG 3.42Å; V240-L244 PolarHBondContact O-N 3.23Å |
| 241 | I | 93.1 | Very high | 84.2 | Confident | 21 Ų | 21 | 35.3 Ų | 35.3 | 11% | 0.108 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -56.9 | -47.7 | 178.7 | -67.7 | 169.2 | 0 | 0 | 0 | 110.7 | V134 C137 L141 V237 N238 V243 L244 Q245 | V134-I241 HydrophobicContact CG1-CG1 4.49Å; V134-I241 HydrophobicContact CG1-CG2 4.08Å; V134-I241 HydrophobicContact CG2-CG2 4.25Å; C137-I241 HydrophobicContact CB-CD1 3.74Å; C137-I241 HydrophobicContact CB-CG1 3.54Å; L141-I241 HydrophobicContact CD1-CD1 3.68Å; V237-I241 HydrophobicContact CG1-CD1 4.43Å; V237-I241 WeakPolarHBondContact O-CG1 3.43Å; V237-I241 PolarHBondContact O-N 3.3Å; N238-I241 PolarHBondContact O-N 2.84Å; I241-V243 PolarHBondContact O-N 3.27Å; I241-L244 PolarHBondContact O-N 3.49Å; I241-Q245 WeakPolarHBondContact O-CG 3.21Å; I241-Q245 PolarHBondContact O-N 3.36Å |
| 242 | R | 89.7 | Confident | 82.1 | Confident | 47 Ų | 47 | 35.9 Ų | 35.9 | 18% | 0.177 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.6 | -51.7 | 179.8 | -171.7 | -167 | 72.9 | 85 | 0.3 | 111.5 | N238 E239 V240 L244 Q245 D250 K264 | N238-R242 PolarHBondContact O-N 3.21Å; E239-R242 PolarHBondContact O-N 3.04Å; E239-R242 IonicContact OE1-CZ 3.27Å; E239-R242 IonicContact OE1-NE 3.06Å; E239-R242 PolarHBondContact OE1-NE 3.41Å; E239-R242 IonicContact OE1-NH2 2.67Å; E239-R242 PolarHBondContact OE1-NH2 3.42Å; E239-R242 IonicContact OE2-CZ 3.39Å; E239-R242 IonicContact OE2-NE 3.67Å; E239-R242 PolarHBondContact OE2-NE 2.93Å; E239-R242 IonicContact OE2-NH2 3.65Å; V240-R242 VanDerWaalsContact C-N 3.32Å; V240-R242 PolarHBondContact O-N 2.96Å; R242-L244 PolarHBondContact O-N 3.09Å; R242-Q245 PolarHBondContact O-N 2.67Å; R242-D250 IonicContact CZ-OD2 3.8Å; R242-D250 IonicContact NH1-OD2 2.89Å; R242-D250 PolarHBondContact NH1-OD2 3.39Å; R242-D250 IonicContact NH2-OD2 2.89Å; R242-K264 VanDerWaalsContact CZ-CE 3.41Å |
| 243 | V | 88 | Confident | 79.9 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.8 | -34.9 | -174.6 | 176.8 | 0 | 0 | 0 | 0 | 112 | H186 I189 L190 E239 V240 I241 Q245 L246 | H186-V243 HydrophobicContact CB-CG1 3.74Å; I189-V243 HydrophobicContact CB-CG2 4.23Å; I189-V243 HydrophobicContact CD1-CG2 4.41Å; I189-V243 HydrophobicContact CG2-CG2 3.69Å; L190-V243 HydrophobicContact CD1-CG1 4.29Å; L190-V243 HydrophobicContact CD2-CB 3.84Å; L190-V243 HydrophobicContact CD2-CG1 3.84Å; L190-V243 HydrophobicContact CG-CB 4.29Å; L190-V243 HydrophobicContact CG-CG1 3.71Å; E239-V243 HydrophobicContact CG-CG2 4.45Å; E239-V243 WeakPolarHBondContact O-CG2 3.48Å; E239-V243 PolarHBondContact O-N 3.36Å; V240-V243 PolarHBondContact O-N 2.83Å; I241-V243 PolarHBondContact O-N 3.27Å; V243-Q245 PolarHBondContact O-N 3.41Å; V243-L246 HydrophobicContact CG2-CD1 4.48Å; V243-L246 PolarHBondContact O-N 2.87Å |
| 244 | L | 91.9 | Very high | 77.5 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.016 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.1 | -27.8 | 175.8 | -75 | 170.7 | 0 | 0 | 0 | 113.2 | V130 I133 V134 R177 L190 V240 I241 R242 | V130-L244 HydrophobicContact CG1-CB 4.25Å; V130-L244 WeakPolarHBondContact CG1-O 3.42Å; I133-L244 HydrophobicContact CB-CD1 4.22Å; I133-L244 HydrophobicContact CD1-CD2 4.44Å; I133-L244 HydrophobicContact CG2-CD1 3.52Å; I133-L244 HydrophobicContact CG2-CD2 4.39Å; V134-L244 HydrophobicContact CG2-CD1 4.49Å; R177-L244 HydrophobicContact CB-CD2 4.08Å; R177-L244 HydrophobicContact CG-CD2 3.47Å; R177-L244 VanDerWaalsContact CG-CD2 3.47Å; L190-L244 HydrophobicContact CD1-CD2 4.16Å; L190-L244 HydrophobicContact CD2-CD2 4.41Å; L190-L244 HydrophobicContact CD2-CG 4.2Å; V240-L244 HydrophobicContact CG1-CD1 3.61Å; V240-L244 HydrophobicContact CG1-CG 4.15Å; V240-L244 WeakPolarHBondContact O-CB 3.39Å; V240-L244 WeakPolarHBondContact O-CG 3.42Å; V240-L244 PolarHBondContact O-N 3.23Å; I241-L244 PolarHBondContact O-N 3.49Å; R242-L244 PolarHBondContact O-N 3.09Å |
| 245 | Q | 89.3 | Confident | 75.1 | Confident | 116 Ų | 116 | 47.5 Ų | 47.5 | 54% | 0.542 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -5.5 | -178 | -66.6 | 176.4 | -44 | 0 | 0 | 113.5 | V130 V134 I241 R242 V243 | V130-Q245 HydrophobicContact CG1-CG 4.11Å; V134-Q245 HydrophobicContact CG2-CG 4.47Å; I241-Q245 WeakPolarHBondContact O-CG 3.21Å; I241-Q245 PolarHBondContact O-N 3.36Å; R242-Q245 PolarHBondContact O-N 2.67Å; V243-Q245 PolarHBondContact O-N 3.41Å |
| 246 | L | 85.9 | Confident | 73.3 | Confident | 34 Ų | 34 | 49.5 Ų | 49.5 | 18% | 0.178 | 24% | 0.243 | C | C | . | . | trans | -77.2 | 129.9 | 179.1 | -62.1 | 174.1 | 0 | 0 | 0 | 111.5 | H186 V243 D250 | H186-L246 WeakPolarHBondContact CE1-CB 3.08Å; V243-L246 HydrophobicContact CG2-CD1 4.48Å; V243-L246 PolarHBondContact O-N 2.87Å; L246-D250 HydrophobicContact CD1-CB 4.22Å | ||
| 247 | T | 80.7 | Confident | 71.7 | Confident | 51 Ų | 51 | 49.9 Ų | 49.9 | 31% | 0.313 | 25% | 0.245 | S | C | . | . | trans | -116.8 | -8.4 | -179.8 | 55.4 | 0 | 0 | 0 | 0 | 113.8 | V3 | V3-T247 HydrophobicContact CG1-CG2 4.35Š| ||
| 248 | T | 70 | Confident | 70.2 | Confident | 60 Ų | 60 | 52.3 Ų | 52.3 | 37% | 0.368 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -124.8 | 169 | 179.3 | 55.6 | 0 | 0 | 0 | 0 | 110.5 | H183 H186 D250 | H183-T248 PolarHBondContact ND1-O 2.86Å; H186-T248 PolarHBondContact CE1-O 2.95Å; T248-D250 PolarHBondContact O-N 3.37Å |
| 249 | Y | 63 | Low | 69.1 | Low | 23 Ų | 23 | 50.1 Ų | 50.1 | 9% | 0.09 | 25% | 0.246 | C | C | . | . | trans | -68.5 | 122.7 | 173.4 | -74.1 | -88.8 | 0 | 0 | 0 | 109.4 | H183 E251 I885 | H183-Y249 AromaticContact CD2-CE1 3.68Å; H183-Y249 AromaticContact CD2-CE2 3.71Å; H183-Y249 AromaticContact CD2-CZ 3.42Å; H183-Y249 VanDerWaalsContact CD2-CZ 3.42Å; H183-Y249 AromaticContact NE2-CD2 3.7Å; H183-Y249 AromaticContact NE2-CE2 3.42Å; H183-Y249 WeakPolarHBondContact NE2-CE2 3.36Å; H183-Y249 AromaticContact NE2-CZ 3.68Å; Y249-E251 PolarHBondContact O-N 3.41Å; Y249-I885 HydrophobicContact CE2-CG1 4.43Å | ||
| 250 | D | 54.1 | Low | 68.1 | Low | 46 Ų | 46 | 49.3 Ų | 49.3 | 25% | 0.246 | 24% | 0.243 | C | C | . | . | trans | -85.1 | 36.5 | 169 | -165.6 | 16.3 | 0 | 0 | 0 | 109.7 | R242 L246 T248 | R242-D250 IonicContact CZ-OD2 3.8Å; R242-D250 IonicContact NH1-OD2 2.89Å; R242-D250 PolarHBondContact NH1-OD2 3.39Å; R242-D250 IonicContact NH2-OD2 2.89Å; L246-D250 HydrophobicContact CD1-CB 4.22Å; T248-D250 PolarHBondContact O-N 3.37Å | ||
| 251 | E | 50.8 | Low | 66.9 | Low | 70 Ų | 70 | 51.6 Ų | 51.6 | 33% | 0.327 | 26% | 0.257 | S | S | . | . | trans | -102.9 | 66.3 | 177.7 | -74.4 | -165.3 | -175 | 0 | 0 | 110 | V185 Y249 R881 | V185-E251 VanDerWaalsContact CG2-OE1 3.31Å; V185-E251 WeakPolarHBondContact CG2-OE1 3.33Å; Y249-E251 PolarHBondContact O-N 3.41Å; E251-R881 IonicContact OE1-CZ 3.21Å; E251-R881 VanDerWaalsContact OE1-CZ 3.24Å; E251-R881 IonicContact OE1-NH1 3.66Å; E251-R881 PolarHBondContact OE1-NH1 3.05Å; E251-R881 IonicContact OE1-NH2 2.75Å; E251-R881 PolarHBondContact OE1-NH2 2.89Å; E251-R881 IonicContact OE2-CZ 3.47Å; E251-R881 IonicContact OE2-NH1 2.66Å; E251-R881 PolarHBondContact OE2-NH1 3.11Å; E251-R881 IonicContact OE2-NH2 3.89Å; E251-R881 PolarHBondContact OE2-NH2 3.26Å | ||
| 252 | D | 44.5 | Very low | 66.2 | Low | 43 Ų | 43 | 50.6 Ų | 50.6 | 23% | 0.23 | 25% | 0.252 | C | S | . | . | trans | -83.6 | 140.8 | 172.9 | -57.1 | -47.7 | 0 | 0 | 0 | 110.4 | E256 I260 K548 | D252-E256 HydrophobicContact CB-CB 3.43Å; D252-E256 VanDerWaalsContact CB-CB 3.43Å; D252-E256 HydrophobicContact CB-CG 3.83Å; D252-E256 VanDerWaalsContact CB-OE2 3.26Å; D252-E256 WeakPolarHBondContact CB-OE2 2.88Å; D252-I260 HydrophobicContact CB-CD1 4.03Å; D252-K548 PolarHBondContact O-NZ 3.5Å; D252-K548 VanDerWaalsContact O-NZ 3.17Å | ||
| 253 | E | 46.1 | Very low | 65.7 | Low | 143 Ų | 143 | 52.6 Ų | 52.6 | 67% | 0.668 | 26% | 0.262 | S | S | * | . | trans | -48.9 | 154.4 | 175 | -67.3 | 178.1 | 150.1 | 0 | 0 | 109.7 | D255 E256 | E253-D255 PolarHBondContact O-N 3.18Å; E253-E256 PolarHBondContact O-N 2.88Å | ||
| 254 | W | 42.5 | Very low | 65 | Low | 72 Ų | 72 | 56.3 Ų | 56.3 | 27% | 0.273 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | -16.1 | -175.2 | -68.8 | 18.1 | 0 | 0 | 0 | 115 | A382 H383 T384 | W254-A382 HydrophobicContact CE3-CB 4.14Å; W254-A382 HydrophobicContact CZ3-CB 4.31Å; W254-H383 AromaticContact CD2-CE1 3.29Å; W254-H383 AromaticContact CE2-CE1 3.77Å; W254-H383 AromaticContact CE3-CE1 3.32Å; W254-H383 AromaticContact CE3-ND1 3.72Å; W254-H383 AromaticContact CE3-NE2 3.96Å; W254-H383 AromaticContact CG-CE1 3.69Å; W254-H383 AromaticContact CZ3-CE1 3.82Å; W254-T384 HydrophobicContact CH2-CG2 3.84Å; W254-T384 VanDerWaalsContact CH2-OG1 3.27Å; W254-T384 WeakPolarHBondContact CH2-OG1 3.31Å; W254-T384 HydrophobicContact CZ3-CG2 3.99Å; W254-T384 WeakPolarHBondContact CZ3-OG1 3.39Å |
| 255 | D | 43 | Very low | 64.5 | Low | 93 Ų | 93 | 56.3 Ų | 56.3 | 50% | 0.497 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -17.1 | -179.5 | -61.6 | -29.6 | 0 | 0 | 0 | 113.3 | E253 | E253-D255 PolarHBondContact O-N 3.18Š|
| 256 | E | 49.5 | Very low | 64.4 | Low | 88 Ų | 88 | 51.9 Ų | 51.9 | 41% | 0.411 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | -12.8 | 176.3 | -64.6 | -164.1 | -169.1 | 0 | 0 | 114 | D252 E253 D258 L259 I260 | D252-E256 HydrophobicContact CB-CB 3.43Å; D252-E256 VanDerWaalsContact CB-CB 3.43Å; D252-E256 HydrophobicContact CB-CG 3.83Å; D252-E256 VanDerWaalsContact CB-OE2 3.26Å; D252-E256 WeakPolarHBondContact CB-OE2 2.88Å; E253-E256 PolarHBondContact O-N 2.88Å; E256-D258 VanDerWaalsContact C-N 3.3Å; E256-D258 PolarHBondContact O-N 3.43Å; E256-L259 CarbonylContact O-C 3.6Å; E256-L259 WeakPolarHBondContact O-CA 3.21Å; E256-L259 WeakPolarHBondContact O-CB 3.4Å; E256-L259 PolarHBondContact O-N 2.67Å; E256-I260 HydrophobicContact CB-CD1 4.29Å; E256-I260 WeakPolarHBondContact O-CG1 3.16Å; E256-I260 PolarHBondContact O-N 3.29Å |
| 257 | D | 57.1 | Low | 64.1 | Low | 29 Ų | 29 | 53.8 Ų | 53.8 | 16% | 0.155 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.3 | -38.6 | -175.7 | -78.9 | -35.9 | 0 | 0 | 0 | 113 | L259 I260 V261 K548 | D257-L259 VanDerWaalsContact C-N 3.33Å; D257-I260 PolarHBondContact O-N 3.04Å; D257-V261 WeakPolarHBondContact O-CB 3.39Å; D257-V261 WeakPolarHBondContact O-CG2 3.3Å; D257-V261 PolarHBondContact O-N 3.18Å; D257-K548 IonicContact OD1-NZ 2.66Å; D257-K548 PolarHBondContact OD1-NZ 3.02Å; D257-K548 WeakPolarHBondContact OD2-CE 3.44Å; D257-K548 IonicContact OD2-NZ 3.67Å; D257-K548 PolarHBondContact OD2-NZ 3.44Å |
| 258 | D | 63 | Low | 64 | Low | 51 Ų | 51 | 52.3 Ų | 52.3 | 27% | 0.273 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.9 | -38.2 | 177.9 | -78.5 | -24.1 | 0 | 0 | 0 | 111.2 | E256 V261 M262 R308 L373 | E256-D258 VanDerWaalsContact C-N 3.3Å; E256-D258 PolarHBondContact O-N 3.43Å; D258-V261 PolarHBondContact O-N 3.17Å; D258-M262 VanDerWaalsContact O-CB 3.27Å; D258-M262 WeakPolarHBondContact O-CB 3.49Å; D258-M262 WeakPolarHBondContact O-CG 3.42Å; D258-M262 PolarHBondContact O-N 3Å; D258-R308 HydrophobicContact CB-CB 4.1Å; D258-R308 HydrophobicContact CB-CG 4.18Å; D258-R308 WeakPolarHBondContact OD1-CD 3.2Å; D258-R308 VanDerWaalsContact OD1-CG 3.32Å; D258-R308 WeakPolarHBondContact OD1-CG 3.38Å; D258-R308 IonicContact OD1-NE 3.72Å; D258-R308 PolarHBondContact OD1-NE 3.24Å; D258-L373 HydrophobicContact CB-CD2 4.04Å |
| 259 | L | 68.4 | Low | 64.9 | Low | 19 Ų | 19 | 49.5 Ų | 49.5 | 10% | 0.099 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65 | -43.9 | 174.5 | -160.8 | 87.2 | 0 | 0 | 0 | 111 | E256 D257 M262 K263 V370 L373 E374 | E256-L259 CarbonylContact O-C 3.6Å; E256-L259 WeakPolarHBondContact O-CA 3.21Å; E256-L259 WeakPolarHBondContact O-CB 3.4Å; E256-L259 PolarHBondContact O-N 2.67Å; D257-L259 VanDerWaalsContact C-N 3.33Å; L259-M262 PolarHBondContact O-N 3.04Å; L259-K263 HydrophobicContact CD2-CD 4.2Å; L259-K263 HydrophobicContact CG-CD 4.23Å; L259-K263 VanDerWaalsContact O-CB 3.31Å; L259-K263 WeakPolarHBondContact O-CB 3.42Å; L259-K263 VanDerWaalsContact O-CG 3.26Å; L259-K263 WeakPolarHBondContact O-CG 3.38Å; L259-K263 PolarHBondContact O-N 2.59Å; L259-V370 HydrophobicContact CD1-CG1 4.21Å; L259-V370 WeakPolarHBondContact CD1-O 3.5Å; L259-L373 HydrophobicContact CD1-CB 4.2Å; L259-L373 HydrophobicContact CD1-CD2 4.27Å; L259-L373 HydrophobicContact CD1-CG 4.5Å; L259-E374 HydrophobicContact CD1-CB 3.73Å; L259-E374 HydrophobicContact CD1-CG 4.23Å; L259-E374 HydrophobicContact CD2-CB 4.5Å; L259-E374 HydrophobicContact CD2-CG 4.08Å |
| 260 | I | 65.4 | Low | 66.1 | Low | 25 Ų | 25 | 54 Ų | 54 | 13% | 0.128 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.4 | -47 | 177.4 | -66.6 | 165.6 | 0 | 0 | 0 | 110.3 | D252 E256 D257 M262 K263 K264 | D252-I260 HydrophobicContact CB-CD1 4.03Å; E256-I260 HydrophobicContact CB-CD1 4.29Å; E256-I260 WeakPolarHBondContact O-CG1 3.16Å; E256-I260 PolarHBondContact O-N 3.29Å; D257-I260 PolarHBondContact O-N 3.04Å; I260-M262 VanDerWaalsContact C-N 3.32Å; I260-M262 PolarHBondContact O-N 2.77Å; I260-K263 PolarHBondContact O-N 3.26Å; I260-K264 HydrophobicContact CG2-CD 4.2Å; I260-K264 HydrophobicContact CG2-CG 4.43Å; I260-K264 WeakPolarHBondContact O-CB 3.44Å; I260-K264 WeakPolarHBondContact O-CG 3.45Å; I260-K264 PolarHBondContact O-N 2.98Å |
| 261 | V | 68.8 | Low | 67.6 | Low | 48 Ų | 48 | 55.8 Ų | 55.8 | 29% | 0.291 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.7 | -40 | 178 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | D257 D258 K264 A265 R308 | D257-V261 WeakPolarHBondContact O-CB 3.39Å; D257-V261 WeakPolarHBondContact O-CG2 3.3Å; D257-V261 PolarHBondContact O-N 3.18Å; D258-V261 PolarHBondContact O-N 3.17Å; V261-K264 PolarHBondContact O-N 3.37Å; V261-A265 WeakPolarHBondContact O-CB 3.28Å; V261-A265 PolarHBondContact O-N 2.74Å; V261-R308 VanDerWaalsContact CG1-CZ 3.5Å |
| 262 | M | 79.5 | Confident | 69.3 | Low | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.7 | -43.6 | 175 | -71.6 | 171.1 | 77.9 | 0 | 0 | 111.8 | D258 L259 I260 A265 L266 I305 R308 A309 A369 V370 L373 | D258-M262 VanDerWaalsContact O-CB 3.27Å; D258-M262 WeakPolarHBondContact O-CB 3.49Å; D258-M262 WeakPolarHBondContact O-CG 3.42Å; D258-M262 PolarHBondContact O-N 3Å; L259-M262 PolarHBondContact O-N 3.04Å; I260-M262 VanDerWaalsContact C-N 3.32Å; I260-M262 PolarHBondContact O-N 2.77Å; M262-A265 PolarHBondContact O-N 2.97Å; M262-L266 WeakPolarHBondContact O-CB 3.11Å; M262-L266 PolarHBondContact O-N 3.46Å; M262-I305 HydrophobicContact CB-CG1 4.35Å; M262-I305 HydrophobicContact CE-CG2 3.47Å; M262-I305 VanDerWaalsContact CE-CG2 3.47Å; M262-I305 HydrophobicContact CG-CB 4.41Å; M262-I305 HydrophobicContact CG-CG1 4.34Å; M262-I305 HydrophobicContact CG-CG2 4.13Å; M262-R308 HydrophobicContact CG-CB 3.85Å; M262-R308 HydrophobicContact SD-CB 3.72Å; M262-A309 HydrophobicContact CE-CB 3.94Å; M262-A369 HydrophobicContact CE-CB 4.05Å; M262-V370 HydrophobicContact CB-CG2 3.9Å; M262-V370 HydrophobicContact CE-CG2 4.06Å; M262-L373 HydrophobicContact SD-CD2 3.47Å; M262-L373 WeakPolarHBondContact SD-CD2 3.44Å |
| 263 | K | 77.8 | Confident | 71.5 | Confident | 90 Ų | 90 | 53 Ų | 53 | 39% | 0.391 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 174.8 | -75.4 | 175.4 | 177.7 | 177.2 | 0 | 111.4 | L259 I260 L266 S267 V370 E374 | L259-K263 HydrophobicContact CD2-CD 4.2Å; L259-K263 HydrophobicContact CG-CD 4.23Å; L259-K263 VanDerWaalsContact O-CB 3.31Å; L259-K263 WeakPolarHBondContact O-CB 3.42Å; L259-K263 VanDerWaalsContact O-CG 3.26Å; L259-K263 WeakPolarHBondContact O-CG 3.38Å; L259-K263 PolarHBondContact O-N 2.59Å; I260-K263 PolarHBondContact O-N 3.26Å; K263-L266 PolarHBondContact O-N 3.01Å; K263-S267 PolarHBondContact O-N 3.43Å; K263-V370 HydrophobicContact CG-CG1 3.87Å; K263-E374 IonicContact NZ-OE1 3.34Å; K263-E374 PolarHBondContact NZ-OE1 3.38Å |
| 264 | K | 74.1 | Confident | 73.6 | Confident | 78 Ų | 78 | 52 Ų | 52 | 34% | 0.339 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.7 | -47.3 | 173.3 | -76.9 | 179.1 | -175.2 | -178.9 | 0 | 111.9 | R242 I260 V261 L266 S267 A268 | R242-K264 VanDerWaalsContact CZ-CE 3.41Å; I260-K264 HydrophobicContact CG2-CD 4.2Å; I260-K264 HydrophobicContact CG2-CG 4.43Å; I260-K264 WeakPolarHBondContact O-CB 3.44Å; I260-K264 WeakPolarHBondContact O-CG 3.45Å; I260-K264 PolarHBondContact O-N 2.98Å; V261-K264 PolarHBondContact O-N 3.37Å; K264-L266 VanDerWaalsContact C-N 3.31Å; K264-L266 PolarHBondContact O-N 3.29Å; K264-S267 PolarHBondContact O-N 3.04Å; K264-A268 WeakPolarHBondContact O-CB 3.14Å; K264-A268 PolarHBondContact O-N 3.04Å |
| 265 | A | 81.5 | Confident | 75.7 | Confident | 4 Ų | 4 | 50 Ų | 50 | 3% | 0.033 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.8 | -39.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | V261 M262 A268 I269 Y301 I305 | V261-A265 WeakPolarHBondContact O-CB 3.28Å; V261-A265 PolarHBondContact O-N 2.74Å; M262-A265 PolarHBondContact O-N 2.97Å; A265-A268 PolarHBondContact O-N 2.89Å; A265-I269 WeakPolarHBondContact O-CD1 3.46Å; A265-I269 VanDerWaalsContact O-CG1 3.23Å; A265-I269 WeakPolarHBondContact O-CG1 3.27Å; A265-I269 PolarHBondContact O-N 3.43Å; A265-Y301 HydrophobicContact CB-CD1 4.04Å; A265-I305 HydrophobicContact CB-CD1 3.87Å; A265-I305 HydrophobicContact CB-CG1 3.62Å |
| 266 | L | 86.3 | Confident | 78 | Confident | 22 Ų | 22 | 45.6 Ų | 45.6 | 12% | 0.115 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.3 | -46.6 | 177 | -169.7 | 69.1 | 0 | 0 | 0 | 111.9 | M262 K263 K264 A268 I269 E270 I305 L366 P367 V370 | M262-L266 WeakPolarHBondContact O-CB 3.11Å; M262-L266 PolarHBondContact O-N 3.46Å; K263-L266 PolarHBondContact O-N 3.01Å; K264-L266 VanDerWaalsContact C-N 3.31Å; K264-L266 PolarHBondContact O-N 3.29Å; L266-A268 VanDerWaalsContact C-N 3.32Å; L266-A268 PolarHBondContact O-N 3.37Å; L266-I269 WeakPolarHBondContact O-CB 3.19Å; L266-I269 PolarHBondContact O-N 2.93Å; L266-I269 VanDerWaalsContact O-N 3.11Å; L266-E270 WeakPolarHBondContact O-CG 3.45Å; L266-E270 PolarHBondContact O-N 3.26Å; L266-I305 HydrophobicContact CB-CD1 4.39Å; L266-L366 HydrophobicContact CD1-CB 3.84Å; L266-P367 HydrophobicContact CD1-CG 4.12Å; L266-P367 HydrophobicContact CD2-CG 4.3Å; L266-V370 HydrophobicContact CD2-CG2 4.39Å |
| 267 | S | 80.1 | Confident | 80.1 | Confident | 74 Ų | 74 | 43.1 Ų | 43.1 | 52% | 0.517 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.3 | -40.1 | 175.6 | -178.1 | 0 | 0 | 0 | 0 | 112.2 | K263 K264 I269 E270 S271 | K263-S267 PolarHBondContact O-N 3.43Å; K264-S267 PolarHBondContact O-N 3.04Å; S267-I269 VanDerWaalsContact C-N 3.33Å; S267-I269 PolarHBondContact O-N 3.37Å; S267-E270 PolarHBondContact O-N 3.44Å; S267-S271 PolarHBondContact O-N 3.47Å; S267-S271 VanDerWaalsContact O-N 3.12Å |
| 268 | A | 79.6 | Confident | 81.7 | Confident | 21 Ų | 21 | 45.9 Ų | 45.9 | 17% | 0.174 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.7 | -39.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | K264 A265 L266 S271 L272 Y301 | K264-A268 WeakPolarHBondContact O-CB 3.14Å; K264-A268 PolarHBondContact O-N 3.04Å; A265-A268 PolarHBondContact O-N 2.89Å; L266-A268 VanDerWaalsContact C-N 3.32Å; L266-A268 PolarHBondContact O-N 3.37Å; A268-S271 PolarHBondContact O-N 3.38Å; A268-S271 PolarHBondContact O-OG 3.39Å; A268-L272 WeakPolarHBondContact O-CG 3.3Å; A268-L272 PolarHBondContact O-N 2.91Å; A268-Y301 HydrophobicContact CB-CD1 4.16Å; A268-Y301 HydrophobicContact CB-CD2 4.02Å; A268-Y301 HydrophobicContact CB-CE1 3.84Å; A268-Y301 HydrophobicContact CB-CE2 3.71Å; A268-Y301 HydrophobicContact CB-CG 4.26Å |
| 269 | I | 88.3 | Confident | 83 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.5 | -46.5 | 175.2 | -73.4 | 161.3 | 0 | 0 | 0 | 111.4 | A265 L266 S267 S271 L272 L273 I298 Y301 I305 V357 L366 | A265-I269 WeakPolarHBondContact O-CD1 3.46Å; A265-I269 VanDerWaalsContact O-CG1 3.23Å; A265-I269 WeakPolarHBondContact O-CG1 3.27Å; A265-I269 PolarHBondContact O-N 3.43Å; L266-I269 WeakPolarHBondContact O-CB 3.19Å; L266-I269 PolarHBondContact O-N 2.93Å; L266-I269 VanDerWaalsContact O-N 3.11Å; S267-I269 VanDerWaalsContact C-N 3.33Å; S267-I269 PolarHBondContact O-N 3.37Å; I269-S271 VanDerWaalsContact C-N 3.26Å; I269-S271 PolarHBondContact O-N 3.34Å; I269-L272 PolarHBondContact O-N 3.28Å; I269-L272 VanDerWaalsContact O-N 3.09Å; I269-L273 PolarHBondContact O-N 3.07Å; I269-L273 VanDerWaalsContact O-N 3.09Å; I269-I298 HydrophobicContact CG1-CB 4.49Å; I269-I298 HydrophobicContact CG1-CG1 4.49Å; I269-I298 HydrophobicContact CG1-CG2 4.19Å; I269-I298 HydrophobicContact CG2-CG1 4.16Å; I269-I298 HydrophobicContact CG2-CG2 3.81Å; I269-Y301 VanDerWaalsContact CG1-CB 3.47Å; I269-Y301 HydrophobicContact CG1-CD2 4.33Å; I269-Y301 HydrophobicContact CG1-CG 4.22Å; I269-I305 HydrophobicContact CD1-CD1 3.94Å; I269-V357 HydrophobicContact CG2-CB 4.3Å; I269-V357 HydrophobicContact CG2-CG1 3.63Å; I269-V357 HydrophobicContact CG2-CG2 3.63Å; I269-L366 HydrophobicContact CD1-CD1 3.58Å |
| 270 | E | 87.7 | Confident | 84 | Confident | 118 Ų | 118 | 43.7 Ų | 43.7 | 55% | 0.551 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -57.5 | -41 | 178 | -71.3 | 175.5 | 171.3 | 0 | 0 | 111.7 | L266 S267 L272 L273 | L266-E270 WeakPolarHBondContact O-CG 3.45Å; L266-E270 PolarHBondContact O-N 3.26Å; S267-E270 PolarHBondContact O-N 3.44Å; E270-L272 VanDerWaalsContact C-N 3.25Å; E270-L272 PolarHBondContact O-N 3.09Å; E270-L273 WeakPolarHBondContact O-CB 3.47Å; E270-L273 PolarHBondContact O-N 3.09Å |
| 271 | S | 85.1 | Confident | 85.2 | Confident | 84 Ų | 84 | 46.1 Ų | 46.1 | 59% | 0.587 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -64.8 | -26.7 | 178.5 | 80.4 | 0 | 0 | 0 | 0 | 113.9 | S267 A268 I269 | S267-S271 PolarHBondContact O-N 3.47Å; S267-S271 VanDerWaalsContact O-N 3.12Å; A268-S271 PolarHBondContact O-N 3.38Å; A268-S271 PolarHBondContact O-OG 3.39Å; I269-S271 VanDerWaalsContact C-N 3.26Å; I269-S271 PolarHBondContact O-N 3.34Å |
| 272 | L | 88 | Confident | 86 | Confident | 23 Ų | 23 | 47.2 Ų | 47.2 | 12% | 0.12 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -93.7 | -17.2 | -177.7 | -67.2 | 171.4 | 0 | 0 | 0 | 113.1 | A268 I269 E270 Q274 A275 A276 S294 R297 I298 Y301 | A268-L272 WeakPolarHBondContact O-CG 3.3Å; A268-L272 PolarHBondContact O-N 2.91Å; I269-L272 PolarHBondContact O-N 3.28Å; I269-L272 VanDerWaalsContact O-N 3.09Å; E270-L272 VanDerWaalsContact C-N 3.25Å; E270-L272 PolarHBondContact O-N 3.09Å; L272-Q274 PolarHBondContact O-N 2.93Å; L272-A275 PolarHBondContact O-N 3.38Å; L272-A276 PolarHBondContact O-N 2.8Å; L272-S294 WeakPolarHBondContact O-CB 3.46Å; L272-R297 HydrophobicContact CD1-CB 3.6Å; L272-I298 HydrophobicContact CB-CD1 4.02Å; L272-I298 HydrophobicContact CB-CG1 3.82Å; L272-I298 HydrophobicContact CD1-CG1 4.33Å; L272-Y301 HydrophobicContact CD1-CD2 4.11Å; L272-Y301 HydrophobicContact CD1-CE2 3.9Å |
| 273 | L | 90.1 | Very high | 86 | Confident | 31 Ų | 31 | 49.7 Ų | 49.7 | 16% | 0.162 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.6 | -42.4 | -165.8 | -168 | 66.3 | 0 | 0 | 0 | 112.9 | I269 E270 A276 F277 I298 L353 V357 | I269-L273 PolarHBondContact O-N 3.07Å; I269-L273 VanDerWaalsContact O-N 3.09Å; E270-L273 WeakPolarHBondContact O-CB 3.47Å; E270-L273 PolarHBondContact O-N 3.09Å; L273-A276 PolarHBondContact O-N 3.31Å; L273-F277 HydrophobicContact CD1-CD2 4.23Å; L273-F277 HydrophobicContact CD1-CE2 3.58Å; L273-F277 HydrophobicContact CD1-CZ 3.99Å; L273-F277 HydrophobicContact CD2-CE2 3.8Å; L273-F277 HydrophobicContact CG-CD2 3.82Å; L273-F277 HydrophobicContact CG-CE2 3.4Å; L273-F277 VanDerWaalsContact CG-CE2 3.4Å; L273-F277 HydrophobicContact CG-CZ 4.3Å; L273-F277 WeakPolarHBondContact O-CD2 3.37Å; L273-F277 PolarHBondContact O-N 3.4Å; L273-I298 HydrophobicContact CD1-CD1 4.19Å; L273-L353 HydrophobicContact CD1-CD2 4.3Å; L273-L353 HydrophobicContact CD1-CG 4.42Å; L273-V357 HydrophobicContact CD1-CB 4.26Å; L273-V357 HydrophobicContact CD1-CG1 4.12Å; L273-V357 HydrophobicContact CD1-CG2 4.1Å; L273-V357 HydrophobicContact CD2-CG1 4.09Å |
| 274 | Q | 90.1 | Very high | 86 | Confident | 121 Ų | 121 | 56 Ų | 56 | 57% | 0.565 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -61.8 | -48.5 | -178.8 | -173.5 | 58.2 | 48.4 | 0 | 0 | 111.4 | L272 A276 F277 D278 | L272-Q274 PolarHBondContact O-N 2.93Å; Q274-A276 VanDerWaalsContact C-N 3.29Å; Q274-A276 PolarHBondContact O-N 2.88Å; Q274-F277 PolarHBondContact O-N 3.13Å; Q274-F277 VanDerWaalsContact O-N 3.17Å; Q274-D278 PolarHBondContact NE2-OD1 3.01Å; Q274-D278 PolarHBondContact NE2-OD2 2.76Å; Q274-D278 VanDerWaalsContact O-CG 3.25Å; Q274-D278 PolarHBondContact O-N 3.42Å |
| 275 | A | 87.6 | Confident | 86.2 | Confident | 32 Ų | 32 | 52.9 Ų | 52.9 | 26% | 0.264 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.8 | -37.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L272 W279 G291 S294 | L272-A275 PolarHBondContact O-N 3.38Å; A275-W279 PolarHBondContact O-N 2.78Å; A275-G291 WeakPolarHBondContact O-CA 3.35Å; A275-S294 WeakPolarHBondContact CB-OG 3.33Å |
| 276 | A | 91.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.6 | -44.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | L272 L273 Q274 W279 L280 L295 I298 L353 | L272-A276 PolarHBondContact O-N 2.8Å; L273-A276 PolarHBondContact O-N 3.31Å; Q274-A276 VanDerWaalsContact C-N 3.29Å; Q274-A276 PolarHBondContact O-N 2.88Å; A276-W279 PolarHBondContact O-N 3.37Å; A276-L280 WeakPolarHBondContact O-CG 3.21Å; A276-L280 PolarHBondContact O-N 3.21Å; A276-L280 VanDerWaalsContact O-N 3.09Å; A276-L295 HydrophobicContact CB-CB 4.02Å; A276-I298 HydrophobicContact CB-CD1 3.86Å; A276-L353 HydrophobicContact CB-CD2 4.14Å |
| 277 | F | 93.1 | Very high | 84.9 | Confident | 36 Ų | 36 | 66.3 Ų | 66.3 | 16% | 0.158 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.6 | -40.2 | 176.9 | -77.2 | -49.6 | 0 | 0 | 0 | 112.9 | L273 Q274 W279 L280 A281 A350 L353 R354 | L273-F277 HydrophobicContact CD1-CD2 4.23Å; L273-F277 HydrophobicContact CD1-CE2 3.58Å; L273-F277 HydrophobicContact CD1-CZ 3.99Å; L273-F277 HydrophobicContact CD2-CE2 3.8Å; L273-F277 HydrophobicContact CG-CD2 3.82Å; L273-F277 HydrophobicContact CG-CE2 3.4Å; L273-F277 VanDerWaalsContact CG-CE2 3.4Å; L273-F277 HydrophobicContact CG-CZ 4.3Å; L273-F277 WeakPolarHBondContact O-CD2 3.37Å; L273-F277 PolarHBondContact O-N 3.4Å; Q274-F277 PolarHBondContact O-N 3.13Å; Q274-F277 VanDerWaalsContact O-N 3.17Å; F277-W279 VanDerWaalsContact C-N 3.3Å; F277-W279 PolarHBondContact O-N 2.53Å; F277-L280 HydrophobicContact CD1-CD1 4.47Å; F277-L280 PolarHBondContact O-N 2.94Å; F277-A281 WeakPolarHBondContact O-CB 3.32Å; F277-A281 PolarHBondContact O-N 2.99Å; F277-A350 HydrophobicContact CD1-CB 4.2Å; F277-A350 HydrophobicContact CE1-CB 4.12Å; F277-L353 HydrophobicContact CE1-CD2 4.25Å; F277-L353 HydrophobicContact CZ-CD2 4.46Å; F277-R354 HydrophobicContact CE1-CG 3.92Å; F277-R354 HydrophobicContact CE2-CG 4.48Å; F277-R354 HydrophobicContact CZ-CG 3.48Å; F277-R354 VanDerWaalsContact CZ-CG 3.48Å |
| 278 | D | 89.5 | Confident | 84.4 | Confident | 87 Ų | 87 | 64.5 Ų | 64.5 | 47% | 0.465 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.2 | -40.5 | 177.4 | -67.4 | -24.1 | 0 | 0 | 0 | 111.1 | Q274 A281 D282 | Q274-D278 PolarHBondContact NE2-OD1 3.01Å; Q274-D278 PolarHBondContact NE2-OD2 2.76Å; Q274-D278 VanDerWaalsContact O-CG 3.25Å; Q274-D278 PolarHBondContact O-N 3.42Å; D278-A281 PolarHBondContact O-N 3.07Å; D278-D282 PolarHBondContact O-N 3.23Å |
| 279 | W | 90.5 | Very high | 84.2 | Confident | 12 Ų | 12 | 64.8 Ų | 64.8 | 5% | 0.045 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69 | -33.2 | 175.9 | -179.8 | 90.7 | 0 | 0 | 0 | 113.7 | A275 A276 F277 A285 L286 E292 L295 T328 L331 R335 | A275-W279 PolarHBondContact O-N 2.78Å; A276-W279 PolarHBondContact O-N 3.37Å; F277-W279 VanDerWaalsContact C-N 3.3Å; F277-W279 PolarHBondContact O-N 2.53Å; W279-A285 VanDerWaalsContact CD1-CB 3.5Å; W279-A285 HydrophobicContact CG-CB 4.17Å; W279-L286 PolarHBondContact NE1-O 2.82Å; W279-L286 VanDerWaalsContact NE1-O 3.15Å; W279-E292 HydrophobicContact CD2-CB 4.09Å; W279-E292 HydrophobicContact CH2-CB 4.12Å; W279-E292 HydrophobicContact CH2-CG 3.96Å; W279-E292 HydrophobicContact CZ2-CB 3.61Å; W279-E292 HydrophobicContact CZ2-CG 3.81Å; W279-L295 HydrophobicContact CZ3-CD1 4.47Å; W279-T328 HydrophobicContact CH2-CG2 4.34Å; W279-T328 HydrophobicContact CZ3-CG2 4.43Å; W279-L331 HydrophobicContact CH2-CD2 3.77Å; W279-L331 HydrophobicContact CH2-CG 4.34Å; W279-L331 HydrophobicContact CZ3-CD2 3.61Å; W279-R335 PolarHBondContact O-NH1 3Å; W279-R335 PolarHBondContact O-NH2 3.47Å |
| 280 | L | 90.8 | Very high | 83.7 | Confident | 11 Ų | 11 | 68 Ų | 68 | 6% | 0.058 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -72.1 | -32.9 | 173.3 | -69.1 | 170.4 | 0 | 0 | 0 | 111.8 | A276 F277 L295 L331 A346 I349 A350 L353 | A276-L280 WeakPolarHBondContact O-CG 3.21Å; A276-L280 PolarHBondContact O-N 3.21Å; A276-L280 VanDerWaalsContact O-N 3.09Å; F277-L280 HydrophobicContact CD1-CD1 4.47Å; F277-L280 PolarHBondContact O-N 2.94Å; L280-L295 HydrophobicContact CD1-CD1 4.08Å; L280-L295 HydrophobicContact CD2-CD1 4.16Å; L280-L295 HydrophobicContact CG-CD1 4.3Å; L280-L331 HydrophobicContact CD2-CD2 3.78Å; L280-A346 HydrophobicContact CD2-CB 4.4Å; L280-A346 WeakPolarHBondContact O-CB 3.4Å; L280-I349 HydrophobicContact CD1-CB 4.39Å; L280-I349 HydrophobicContact CD1-CG2 3.86Å; L280-I349 HydrophobicContact CD2-CB 3.92Å; L280-I349 HydrophobicContact CD2-CD1 4.24Å; L280-I349 HydrophobicContact CD2-CG2 3.71Å; L280-I349 HydrophobicContact CG-CG2 4.46Å; L280-A350 HydrophobicContact CD1-CB 3.88Å; L280-L353 HydrophobicContact CD1-CD2 4.44Å |
| 281 | A | 89.7 | Confident | 83.5 | Confident | 76 Ų | 76 | 62.7 Ų | 62.7 | 63% | 0.628 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -72.4 | -35.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | F277 D278 P283 | F277-A281 WeakPolarHBondContact O-CB 3.32Å; F277-A281 PolarHBondContact O-N 2.99Å; D278-A281 PolarHBondContact O-N 3.07Å; A281-P283 VanDerWaalsContact O-CD 3.23Å; A281-P283 WeakPolarHBondContact O-CD 3.48Å |
| 282 | D | 85.5 | Confident | 83.6 | Confident | 72 Ų | 72 | 59.1 Ų | 59.1 | 39% | 0.385 | 32% | 0.318 | S | S | . | . | trans | -81.4 | 111.4 | 179 | -178.6 | 11.1 | 0 | 0 | 0 | 112.4 | D278 R284 A285 R335 | D278-D282 PolarHBondContact O-N 3.23Å; D282-R284 PolarHBondContact O-N 3.29Å; D282-R284 WeakPolarHBondContact OD1-CB 3.35Å; D282-R284 PolarHBondContact OD1-N 3.29Å; D282-A285 HydrophobicContact CB-CB 3.99Å; D282-A285 PolarHBondContact O-N 2.93Å; D282-A285 PolarHBondContact OD2-N 2.87Å; D282-R335 PolarHBondContact O-NH2 2.97Å | ||
| 283 | P | 80.4 | Confident | 83.3 | Confident | 51 Ų | 51 | 60.3 Ų | 60.3 | 33% | 0.331 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -16.2 | 177.3 | -15.4 | 31.9 | 0 | 0 | 0 | 113.9 | A281 R343 | A281-P283 VanDerWaalsContact O-CD 3.23Å; A281-P283 WeakPolarHBondContact O-CD 3.48Å; P283-R343 HydrophobicContact CG-CG 4.4Å |
| 284 | R | 77.5 | Confident | 83.3 | Confident | 222 Ų | 222 | 59.2 Ų | 59.2 | 84% | 0.838 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | -3.7 | -178 | -61.8 | -179.4 | 176.8 | 177 | -0.4 | 112.8 | D282 L286 | D282-R284 PolarHBondContact O-N 3.29Å; D282-R284 WeakPolarHBondContact OD1-CB 3.35Å; D282-R284 PolarHBondContact OD1-N 3.29Å; R284-L286 PolarHBondContact O-N 3.49Å |
| 285 | A | 78 | Confident | 83.4 | Confident | 14 Ų | 14 | 53.4 Ų | 53.4 | 12% | 0.116 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 128.4 | -179 | 0 | 0 | 0 | 0 | 0 | 111.2 | W279 D282 R335 | W279-A285 VanDerWaalsContact CD1-CB 3.5Å; W279-A285 HydrophobicContact CG-CB 4.17Å; D282-A285 HydrophobicContact CB-CB 3.99Å; D282-A285 PolarHBondContact O-N 2.93Å; D282-A285 PolarHBondContact OD2-N 2.87Å; A285-R335 WeakPolarHBondContact O-CD 3.39Å |
| 286 | L | 66.5 | Low | 83.6 | Confident | 142 Ų | 142 | 55.1 Ų | 55.1 | 74% | 0.743 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -74.5 | 154.7 | -177 | -67.5 | 164.2 | 0 | 0 | 0 | 111.3 | W279 R284 G289 | W279-L286 PolarHBondContact NE1-O 2.82Å; W279-L286 VanDerWaalsContact NE1-O 3.15Å; R284-L286 PolarHBondContact O-N 3.49Å; L286-G289 PolarHBondContact O-N 3.36Å |
| 287 | R | 73.7 | Confident | 83.5 | Confident | 165 Ų | 165 | 57.5 Ų | 57.5 | 62% | 0.623 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 138.5 | 167.6 | -174.2 | -178.4 | -176.8 | -173.7 | 2.1 | 109.1 | G289 E292 C332 | R287-G289 VanDerWaalsContact C-N 3.32Å; R287-E292 WeakPolarHBondContact CA-OE2 3.46Å; R287-E292 WeakPolarHBondContact CG-OE2 3.48Å; R287-C332 HydrophobicContact CG-CB 4.1Å |
| 288 | G | 70.3 | Confident | 83.5 | Confident | 36 Ų | 36 | 55.8 Ų | 55.8 | 37% | 0.371 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 2.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115 | E292 K293 | G288-E292 PolarHBondContact N-OE2 3.44Å; G288-K293 VanDerWaalsContact O-CE 3.24Å; G288-K293 WeakPolarHBondContact O-CE 3.39Å |
| 289 | G | 75.1 | Confident | 83.8 | Confident | 27 Ų | 27 | 52.3 Ų | 52.3 | 28% | 0.278 | 27% | 0.272 | S | S | . | . | trans | -66.4 | 161.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | L286 R287 G291 E292 K293 | L286-G289 PolarHBondContact O-N 3.36Å; R287-G289 VanDerWaalsContact C-N 3.32Å; G289-G291 PolarHBondContact O-N 3.31Å; G289-G291 VanDerWaalsContact O-N 3.12Å; G289-E292 PolarHBondContact O-N 2.95Å; G289-K293 PolarHBondContact O-N 3.49Å | ||
| 290 | V | 77.1 | Confident | 83.7 | Confident | 67 Ų | 67 | 57.5 Ų | 57.5 | 41% | 0.406 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -48.1 | -44.2 | -177.1 | 178.2 | 0 | 0 | 0 | 0 | 112.2 | K293 S294 | V290-K293 WeakPolarHBondContact O-CB 3.37Å; V290-K293 PolarHBondContact O-N 2.9Å; V290-S294 PolarHBondContact O-N 3.28Å; V290-S294 PolarHBondContact O-OG 3.34Å; V290-S294 VanDerWaalsContact O-OG 3.1Å |
| 291 | G | 83.4 | Confident | 83.6 | Confident | 7 Ų | 7 | 58.8 Ų | 58.8 | 7% | 0.072 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -73.9 | -26.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | A275 G289 K293 L295 | A275-G291 WeakPolarHBondContact O-CA 3.35Å; G289-G291 PolarHBondContact O-N 3.31Å; G289-G291 VanDerWaalsContact O-N 3.12Å; G291-K293 VanDerWaalsContact C-N 3.3Å; G291-L295 WeakPolarHBondContact O-CB 3.46Å; G291-L295 PolarHBondContact O-N 3.13Å |
| 292 | E | 87.8 | Confident | 83.7 | Confident | 10 Ų | 10 | 55.2 Ų | 55.2 | 5% | 0.047 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 168.4 | -171.3 | -174.7 | 157.2 | 0 | 0 | 109.7 | W279 R287 G288 G289 L295 R296 T328 C332 | W279-E292 HydrophobicContact CD2-CB 4.09Å; W279-E292 HydrophobicContact CH2-CB 4.12Å; W279-E292 HydrophobicContact CH2-CG 3.96Å; W279-E292 HydrophobicContact CZ2-CB 3.61Å; W279-E292 HydrophobicContact CZ2-CG 3.81Å; R287-E292 WeakPolarHBondContact CA-OE2 3.46Å; R287-E292 WeakPolarHBondContact CG-OE2 3.48Å; G288-E292 PolarHBondContact N-OE2 3.44Å; G289-E292 PolarHBondContact O-N 2.95Å; E292-L295 WeakPolarHBondContact O-CB 3.4Å; E292-L295 PolarHBondContact O-N 3.42Å; E292-R296 WeakPolarHBondContact O-CG 3.39Å; E292-R296 PolarHBondContact O-N 3.31Å; E292-R296 IonicContact OE1-CZ 3.58Å; E292-R296 IonicContact OE1-NE 3.68Å; E292-R296 PolarHBondContact OE1-NE 3.19Å; E292-R296 IonicContact OE1-NH2 2.69Å; E292-R296 PolarHBondContact OE1-NH2 3.24Å; E292-T328 HydrophobicContact CG-CG2 4.39Å; E292-C332 PolarHBondContact OE1-SG 2.97Å; E292-C332 PolarHBondContact OE2-SG 3.39Å; E292-C332 VanDerWaalsContact OE2-SG 3.36Å |
| 293 | K | 82.2 | Confident | 83.9 | Confident | 48 Ų | 48 | 54.4 Ų | 54.4 | 21% | 0.209 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.7 | -42.2 | 179.3 | -66.7 | 178.9 | 176.2 | 178.4 | 0 | 111.6 | E148 N227 G288 G289 V290 G291 L295 R296 R297 | E148-K293 IonicContact OE1-NZ 3.66Å; E148-K293 PolarHBondContact OE1-NZ 3.43Å; E148-K293 WeakPolarHBondContact OE2-CD 3.17Å; E148-K293 WeakPolarHBondContact OE2-CE 3.39Å; E148-K293 IonicContact OE2-NZ 3.29Å; E148-K293 PolarHBondContact OE2-NZ 3.29Å; N227-K293 PolarHBondContact ND2-NZ 2.93Å; G288-K293 VanDerWaalsContact O-CE 3.24Å; G288-K293 WeakPolarHBondContact O-CE 3.39Å; G289-K293 PolarHBondContact O-N 3.49Å; V290-K293 WeakPolarHBondContact O-CB 3.37Å; V290-K293 PolarHBondContact O-N 2.9Å; G291-K293 VanDerWaalsContact C-N 3.3Å; K293-L295 VanDerWaalsContact C-N 3.29Å; K293-L295 PolarHBondContact O-N 2.95Å; K293-R296 PolarHBondContact O-N 3.3Å; K293-R297 WeakPolarHBondContact O-CB 3.48Å; K293-R297 WeakPolarHBondContact O-CG 3.25Å; K293-R297 PolarHBondContact O-N 2.95Å |
| 294 | S | 88.7 | Confident | 84 | Confident | 7 Ų | 7 | 57.1 Ų | 57.1 | 5% | 0.049 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.3 | -44.2 | 172 | -63.6 | 0 | 0 | 0 | 0 | 111.1 | L272 A275 V290 R297 I298 | L272-S294 WeakPolarHBondContact O-CB 3.46Å; A275-S294 WeakPolarHBondContact CB-OG 3.33Å; V290-S294 PolarHBondContact O-N 3.28Å; V290-S294 PolarHBondContact O-OG 3.34Å; V290-S294 VanDerWaalsContact O-OG 3.1Å; S294-R297 PolarHBondContact O-N 2.92Å; S294-I298 WeakPolarHBondContact O-CG1 3.42Å; S294-I298 PolarHBondContact O-N 2.9Å |
| 295 | L | 92.4 | Very high | 84.4 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.9 | -48.8 | 175.7 | -171.7 | 160.1 | 0 | 0 | 0 | 111.9 | A276 W279 L280 G291 E292 K293 R297 I298 L299 I324 T328 I349 | A276-L295 HydrophobicContact CB-CB 4.02Å; W279-L295 HydrophobicContact CZ3-CD1 4.47Å; L280-L295 HydrophobicContact CD1-CD1 4.08Å; L280-L295 HydrophobicContact CD2-CD1 4.16Å; L280-L295 HydrophobicContact CG-CD1 4.3Å; G291-L295 WeakPolarHBondContact O-CB 3.46Å; G291-L295 PolarHBondContact O-N 3.13Å; E292-L295 WeakPolarHBondContact O-CB 3.4Å; E292-L295 PolarHBondContact O-N 3.42Å; K293-L295 VanDerWaalsContact C-N 3.29Å; K293-L295 PolarHBondContact O-N 2.95Å; L295-R297 PolarHBondContact O-N 2.87Å; L295-I298 WeakPolarHBondContact O-CB 3.47Å; L295-I298 PolarHBondContact O-N 3.28Å; L295-I298 VanDerWaalsContact O-N 3.15Å; L295-L299 HydrophobicContact CD2-CD1 4.06Å; L295-L299 HydrophobicContact CD2-CG 4.29Å; L295-L299 PolarHBondContact O-N 3.42Å; L295-L299 VanDerWaalsContact O-N 3.16Å; L295-I324 HydrophobicContact CD2-CG2 3.91Å; L295-T328 HydrophobicContact CD2-CG2 4.05Å; L295-T328 WeakPolarHBondContact CD2-OG1 3.47Å; L295-I349 HydrophobicContact CD1-CG2 3.75Å |
| 296 | R | 92.5 | Very high | 84.7 | Confident | 67 Ų | 67 | 46 Ų | 46 | 25% | 0.253 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.3 | -40.2 | 179.1 | -68.5 | -174.6 | -172.5 | -82.8 | 0.7 | 112.3 | E292 K293 I298 L299 E300 D329 | E292-R296 WeakPolarHBondContact O-CG 3.39Å; E292-R296 PolarHBondContact O-N 3.31Å; E292-R296 IonicContact OE1-CZ 3.58Å; E292-R296 IonicContact OE1-NE 3.68Å; E292-R296 PolarHBondContact OE1-NE 3.19Å; E292-R296 IonicContact OE1-NH2 2.69Å; E292-R296 PolarHBondContact OE1-NH2 3.24Å; K293-R296 PolarHBondContact O-N 3.3Å; R296-I298 VanDerWaalsContact C-N 3.33Å; R296-I298 PolarHBondContact O-N 3.14Å; R296-L299 WeakPolarHBondContact O-CB 3.32Å; R296-L299 PolarHBondContact O-N 2.8Å; R296-L299 VanDerWaalsContact O-N 3.14Å; R296-E300 PolarHBondContact O-N 3.3Å; R296-D329 IonicContact CZ-OD1 3.32Å; R296-D329 VanDerWaalsContact CZ-OD1 3.28Å; R296-D329 IonicContact NH1-OD1 2.98Å; R296-D329 PolarHBondContact NH1-OD1 3.48Å; R296-D329 IonicContact NH2-OD1 2.79Å; R296-D329 PolarHBondContact NH2-OD1 3.42Å |
| 297 | R | 88.1 | Confident | 85.2 | Confident | 51 Ų | 51 | 43.8 Ų | 43.8 | 19% | 0.192 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.1 | -38.6 | 172.7 | -77.1 | -179.2 | 179.2 | 169.5 | 2.4 | 112.2 | T231 L272 K293 S294 L295 L299 E300 Y301 | T231-R297 PolarHBondContact OG1-NH2 2.69Å; L272-R297 HydrophobicContact CD1-CB 3.6Å; K293-R297 WeakPolarHBondContact O-CB 3.48Å; K293-R297 WeakPolarHBondContact O-CG 3.25Å; K293-R297 PolarHBondContact O-N 2.95Å; S294-R297 PolarHBondContact O-N 2.92Å; L295-R297 PolarHBondContact O-N 2.87Å; R297-L299 VanDerWaalsContact C-N 3.26Å; R297-L299 PolarHBondContact O-N 3.48Å; R297-E300 PolarHBondContact O-N 2.88Å; R297-Y301 HydrophobicContact CB-CE2 4.48Å; R297-Y301 WeakPolarHBondContact O-CD2 3.41Å; R297-Y301 PolarHBondContact O-N 3.47Å |
| 298 | I | 93.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.9 | -42.7 | 173.8 | -70.6 | 162.9 | 0 | 0 | 0 | 110.3 | I269 L272 L273 A276 S294 L295 R296 Y301 S302 L353 V357 | I269-I298 HydrophobicContact CG1-CB 4.49Å; I269-I298 HydrophobicContact CG1-CG1 4.49Å; I269-I298 HydrophobicContact CG1-CG2 4.19Å; I269-I298 HydrophobicContact CG2-CG1 4.16Å; I269-I298 HydrophobicContact CG2-CG2 3.81Å; L272-I298 HydrophobicContact CB-CD1 4.02Å; L272-I298 HydrophobicContact CB-CG1 3.82Å; L272-I298 HydrophobicContact CD1-CG1 4.33Å; L273-I298 HydrophobicContact CD1-CD1 4.19Å; A276-I298 HydrophobicContact CB-CD1 3.86Å; S294-I298 WeakPolarHBondContact O-CG1 3.42Å; S294-I298 PolarHBondContact O-N 2.9Å; L295-I298 WeakPolarHBondContact O-CB 3.47Å; L295-I298 PolarHBondContact O-N 3.28Å; L295-I298 VanDerWaalsContact O-N 3.15Å; R296-I298 VanDerWaalsContact C-N 3.33Å; R296-I298 PolarHBondContact O-N 3.14Å; I298-Y301 PolarHBondContact O-N 3.21Å; I298-S302 WeakPolarHBondContact O-CB 3.28Å; I298-S302 PolarHBondContact O-N 3.31Å; I298-S302 PolarHBondContact O-OG 3.19Å; I298-L353 HydrophobicContact CD1-CD2 4.49Å; I298-L353 HydrophobicContact CG2-CD1 3.81Å; I298-V357 HydrophobicContact CG2-CG2 4.05Å |
| 299 | L | 94.9 | Very high | 85.5 | Confident | 14 Ų | 14 | 38.4 Ų | 38.4 | 7% | 0.073 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65 | -41.3 | 176.3 | -57.6 | -177.3 | 0 | 0 | 0 | 112.5 | L295 R296 R297 Y301 S302 E303 C321 I324 L356 | L295-L299 HydrophobicContact CD2-CD1 4.06Å; L295-L299 HydrophobicContact CD2-CG 4.29Å; L295-L299 PolarHBondContact O-N 3.42Å; L295-L299 VanDerWaalsContact O-N 3.16Å; R296-L299 WeakPolarHBondContact O-CB 3.32Å; R296-L299 PolarHBondContact O-N 2.8Å; R296-L299 VanDerWaalsContact O-N 3.14Å; R297-L299 VanDerWaalsContact C-N 3.26Å; R297-L299 PolarHBondContact O-N 3.48Å; L299-Y301 PolarHBondContact O-N 2.92Å; L299-S302 WeakPolarHBondContact O-CB 3.22Å; L299-S302 PolarHBondContact O-N 3.49Å; L299-S302 VanDerWaalsContact O-N 3.16Å; L299-E303 PolarHBondContact O-N 3.03Å; L299-C321 HydrophobicContact CD2-CB 4.39Å; L299-I324 HydrophobicContact CD1-CB 4.35Å; L299-I324 HydrophobicContact CD1-CG2 4.03Å; L299-I324 HydrophobicContact CD2-CB 3.93Å; L299-I324 HydrophobicContact CD2-CD1 4.11Å; L299-I324 HydrophobicContact CD2-CG2 3.8Å; L299-I324 HydrophobicContact CG-CG2 4.37Å; L299-L356 HydrophobicContact CD2-CD2 4.2Å |
| 300 | E | 88.8 | Confident | 85.5 | Confident | 121 Ų | 121 | 39.4 Ų | 39.4 | 57% | 0.565 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -61 | -44.4 | 175.9 | -69.8 | 172.5 | -172.2 | 0 | 0 | 112.2 | R296 R297 S302 E303 R304 | R296-E300 PolarHBondContact O-N 3.3Å; R297-E300 PolarHBondContact O-N 2.88Å; E300-S302 VanDerWaalsContact C-N 3.3Å; E300-S302 PolarHBondContact O-N 2.91Å; E300-E303 PolarHBondContact O-N 3.31Å; E300-R304 WeakPolarHBondContact O-CG 3.42Å; E300-R304 PolarHBondContact O-N 3.46Å; E300-R304 VanDerWaalsContact O-N 3.15Å |
| 301 | Y | 88.9 | Confident | 85.4 | Confident | 38 Ų | 38 | 41.4 Ų | 41.4 | 15% | 0.149 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.9 | -34.4 | 173.9 | -74.9 | -62.2 | 0 | 0 | 0 | 112.2 | A265 A268 I269 L272 R297 I298 L299 R304 I305 | A265-Y301 HydrophobicContact CB-CD1 4.04Å; A268-Y301 HydrophobicContact CB-CD1 4.16Å; A268-Y301 HydrophobicContact CB-CD2 4.02Å; A268-Y301 HydrophobicContact CB-CE1 3.84Å; A268-Y301 HydrophobicContact CB-CE2 3.71Å; A268-Y301 HydrophobicContact CB-CG 4.26Å; I269-Y301 VanDerWaalsContact CG1-CB 3.47Å; I269-Y301 HydrophobicContact CG1-CD2 4.33Å; I269-Y301 HydrophobicContact CG1-CG 4.22Å; L272-Y301 HydrophobicContact CD1-CD2 4.11Å; L272-Y301 HydrophobicContact CD1-CE2 3.9Å; R297-Y301 HydrophobicContact CB-CE2 4.48Å; R297-Y301 WeakPolarHBondContact O-CD2 3.41Å; R297-Y301 PolarHBondContact O-N 3.47Å; I298-Y301 PolarHBondContact O-N 3.21Å; L299-Y301 PolarHBondContact O-N 2.92Å; Y301-R304 WeakPolarHBondContact O-CB 3.39Å; Y301-R304 PolarHBondContact O-N 3.1Å; Y301-I305 WeakPolarHBondContact O-CG1 3.39Å; Y301-I305 PolarHBondContact O-N 3.4Å; Y301-I305 VanDerWaalsContact O-N 3.09Å |
| 302 | S | 92.9 | Very high | 85.1 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.7 | -41.4 | 176.7 | -57.7 | 0 | 0 | 0 | 0 | 111.7 | I298 L299 E300 R304 I305 A306 I317 C321 L366 | I298-S302 WeakPolarHBondContact O-CB 3.28Å; I298-S302 PolarHBondContact O-N 3.31Å; I298-S302 PolarHBondContact O-OG 3.19Å; L299-S302 WeakPolarHBondContact O-CB 3.22Å; L299-S302 PolarHBondContact O-N 3.49Å; L299-S302 VanDerWaalsContact O-N 3.16Å; E300-S302 VanDerWaalsContact C-N 3.3Å; E300-S302 PolarHBondContact O-N 2.91Å; S302-R304 VanDerWaalsContact C-N 3.33Å; S302-R304 PolarHBondContact O-N 3.38Å; S302-I305 WeakPolarHBondContact O-CB 3.43Å; S302-I305 PolarHBondContact O-N 3.06Å; S302-A306 PolarHBondContact O-N 3.4Å; S302-I317 WeakPolarHBondContact O-CG2 3.1Å; S302-C321 WeakPolarHBondContact CB-SG 3.38Å; S302-L366 WeakPolarHBondContact OG-CD1 3.47Å |
| 303 | E | 89.3 | Confident | 85 | Confident | 55 Ų | 55 | 49.4 Ų | 49.4 | 26% | 0.257 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.8 | -38.5 | 173 | -72.7 | -70.2 | 159.1 | 0 | 0 | 111.7 | L299 E300 I305 A306 D307 R318 C321 | L299-E303 PolarHBondContact O-N 3.03Å; E300-E303 PolarHBondContact O-N 3.31Å; E303-I305 VanDerWaalsContact C-N 3.28Å; E303-I305 PolarHBondContact O-N 2.78Å; E303-A306 CarbonylContact O-C 3.6Å; E303-A306 WeakPolarHBondContact O-CB 3.43Å; E303-A306 PolarHBondContact O-N 3.16Å; E303-A306 VanDerWaalsContact O-N 3.11Å; E303-D307 VanDerWaalsContact O-CG 3.27Å; E303-D307 PolarHBondContact O-N 3.45Å; E303-R318 WeakPolarHBondContact OE2-CG 3.4Å; E303-R318 IonicContact OE2-CZ 3.58Å; E303-R318 IonicContact OE2-NH1 3.12Å; E303-R318 PolarHBondContact OE2-NH1 2.9Å; E303-C321 HydrophobicContact CG-CB 4.39Å; E303-C321 VanDerWaalsContact OE1-CB 3.29Å; E303-C321 WeakPolarHBondContact OE1-CB 3.23Å |
| 304 | R | 82.4 | Confident | 85.1 | Confident | 108 Ų | 108 | 47.7 Ų | 47.7 | 41% | 0.408 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.4 | -33.2 | 173.7 | -71.3 | 178.1 | 176.1 | -178.3 | 4.4 | 113.4 | E300 Y301 S302 R308 | E300-R304 WeakPolarHBondContact O-CG 3.42Å; E300-R304 PolarHBondContact O-N 3.46Å; E300-R304 VanDerWaalsContact O-N 3.15Å; Y301-R304 WeakPolarHBondContact O-CB 3.39Å; Y301-R304 PolarHBondContact O-N 3.1Å; S302-R304 VanDerWaalsContact C-N 3.33Å; S302-R304 PolarHBondContact O-N 3.38Å; R304-R308 PolarHBondContact O-NH1 3.36Å |
| 305 | I | 85.3 | Confident | 84.9 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -70.8 | -44 | 172.6 | -66.9 | 172.2 | 0 | 0 | 0 | 109.3 | M262 A265 L266 I269 Y301 S302 E303 D307 R308 A309 I317 L366 A369 | M262-I305 HydrophobicContact CB-CG1 4.35Å; M262-I305 HydrophobicContact CE-CG2 3.47Å; M262-I305 VanDerWaalsContact CE-CG2 3.47Å; M262-I305 HydrophobicContact CG-CB 4.41Å; M262-I305 HydrophobicContact CG-CG1 4.34Å; M262-I305 HydrophobicContact CG-CG2 4.13Å; A265-I305 HydrophobicContact CB-CD1 3.87Å; A265-I305 HydrophobicContact CB-CG1 3.62Å; L266-I305 HydrophobicContact CB-CD1 4.39Å; I269-I305 HydrophobicContact CD1-CD1 3.94Å; Y301-I305 WeakPolarHBondContact O-CG1 3.39Å; Y301-I305 PolarHBondContact O-N 3.4Å; Y301-I305 VanDerWaalsContact O-N 3.09Å; S302-I305 WeakPolarHBondContact O-CB 3.43Å; S302-I305 PolarHBondContact O-N 3.06Å; E303-I305 VanDerWaalsContact C-N 3.28Å; E303-I305 PolarHBondContact O-N 2.78Å; I305-D307 VanDerWaalsContact C-N 3.27Å; I305-D307 PolarHBondContact O-N 3.5Å; I305-R308 CarbonylContact O-C 3.59Å; I305-R308 PolarHBondContact O-N 2.87Å; I305-A309 WeakPolarHBondContact O-CB 3.46Å; I305-A309 PolarHBondContact O-N 3.46Å; I305-I317 HydrophobicContact CG2-CD1 4.15Å; I305-L366 HydrophobicContact CB-CD2 4.12Å; I305-L366 HydrophobicContact CD1-CB 4.19Å; I305-L366 HydrophobicContact CD1-CD1 4.26Å; I305-L366 HydrophobicContact CD1-CD2 4.02Å; I305-L366 HydrophobicContact CD1-CG 4.4Å; I305-L366 HydrophobicContact CG2-CD2 3.95Å; I305-A369 HydrophobicContact CG2-CB 4.42Å |
| 306 | A | 84.7 | Confident | 84.9 | Confident | 2 Ų | 2 | 55 Ų | 55 | 2% | 0.017 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.1 | -31.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S302 E303 R308 A314 I317 R318 | S302-A306 PolarHBondContact O-N 3.4Å; E303-A306 CarbonylContact O-C 3.6Å; E303-A306 WeakPolarHBondContact O-CB 3.43Å; E303-A306 PolarHBondContact O-N 3.16Å; E303-A306 VanDerWaalsContact O-N 3.11Å; A306-R308 PolarHBondContact O-N 3.43Å; A306-A314 HydrophobicContact CB-CB 4.39Å; A306-A314 WeakPolarHBondContact O-CB 3.29Å; A306-I317 HydrophobicContact CB-CB 3.92Å; A306-I317 HydrophobicContact CB-CD1 4.42Å; A306-I317 HydrophobicContact CB-CG2 3.74Å; A306-R318 HydrophobicContact CB-CG 3.86Å |
| 307 | D | 76.4 | Confident | 84.8 | Confident | 96 Ų | 96 | 51.9 Ų | 51.9 | 51% | 0.513 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -18.7 | 174.6 | -68.2 | -23.2 | 0 | 0 | 0 | 113.1 | E303 I305 R318 | E303-D307 VanDerWaalsContact O-CG 3.27Å; E303-D307 PolarHBondContact O-N 3.45Å; I305-D307 VanDerWaalsContact C-N 3.27Å; I305-D307 PolarHBondContact O-N 3.5Å; D307-R318 IonicContact OD1-CZ 2.59Å; D307-R318 VanDerWaalsContact OD1-CZ 3.24Å; D307-R318 IonicContact OD1-NH1 3.86Å; D307-R318 PolarHBondContact OD1-NH1 3.07Å; D307-R318 IonicContact OD1-NH2 3.52Å; D307-R318 PolarHBondContact OD1-NH2 3.05Å |
| 308 | R | 74.7 | Confident | 85.1 | Confident | 76 Ų | 76 | 54.2 Ų | 54.2 | 29% | 0.287 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.3 | -15.6 | -173.9 | -68.3 | 175.2 | 169.8 | 74.2 | 5.8 | 114.5 | D258 V261 M262 R304 I305 A306 | D258-R308 HydrophobicContact CB-CB 4.1Å; D258-R308 HydrophobicContact CB-CG 4.18Å; D258-R308 WeakPolarHBondContact OD1-CD 3.2Å; D258-R308 VanDerWaalsContact OD1-CG 3.32Å; D258-R308 WeakPolarHBondContact OD1-CG 3.38Å; D258-R308 IonicContact OD1-NE 3.72Å; D258-R308 PolarHBondContact OD1-NE 3.24Å; V261-R308 VanDerWaalsContact CG1-CZ 3.5Å; M262-R308 HydrophobicContact CG-CB 3.85Å; M262-R308 HydrophobicContact SD-CB 3.72Å; R304-R308 PolarHBondContact O-NH1 3.36Å; I305-R308 CarbonylContact O-C 3.59Å; I305-R308 PolarHBondContact O-N 2.87Å; A306-R308 PolarHBondContact O-N 3.43Å |
| 309 | A | 76 | Confident | 85.1 | Confident | 13 Ų | 13 | 63 Ų | 63 | 11% | 0.107 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -68.4 | 163.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | M262 I305 D313 A314 I317 A369 | M262-A309 HydrophobicContact CE-CB 3.94Å; I305-A309 WeakPolarHBondContact O-CB 3.46Å; I305-A309 PolarHBondContact O-N 3.46Å; A309-D313 HydrophobicContact CB-CB 3.96Å; A309-A314 HydrophobicContact CB-CB 4.34Å; A309-I317 HydrophobicContact CB-CD1 4.23Å; A309-A369 HydrophobicContact CB-CB 3.97Å |
| 310 | L | 76.4 | Confident | 85.1 | Confident | 47 Ų | 47 | 63.2 Ų | 63.2 | 25% | 0.246 | 30% | 0.304 | C | S | . | . | trans | -56.9 | 147.8 | 170.5 | -63.3 | 171.3 | 0 | 0 | 0 | 110 | E312 D313 A314 L373 A376 | L310-E312 PolarHBondContact O-N 2.96Å; L310-E312 VanDerWaalsContact O-N 3.07Å; L310-D313 PolarHBondContact O-N 2.86Å; L310-A314 WeakPolarHBondContact O-CB 3.48Å; L310-A314 PolarHBondContact O-N 2.67Å; L310-L373 HydrophobicContact CD2-CD1 4.28Å; L310-L373 HydrophobicContact CG-CD1 4.39Å; L310-A376 HydrophobicContact CD1-CB 4.23Å; L310-A376 HydrophobicContact CD2-CB 4.41Å | ||
| 311 | P | 74.3 | Confident | 85.4 | Confident | 110 Ų | 110 | 57.6 Ų | 57.6 | 71% | 0.714 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -53.1 | -37 | -173 | -29.5 | 35 | 0 | 0 | 0 | 115 | S315 | P311-S315 WeakPolarHBondContact O-CB 3.49Å; P311-S315 PolarHBondContact O-N 3.1Å; P311-S315 VanDerWaalsContact O-N 3.1Å |
| 312 | E | 77.8 | Confident | 85.7 | Confident | 150 Ų | 150 | 59.6 Ų | 59.6 | 70% | 0.701 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -66.6 | -47.5 | 176.9 | -67.4 | -174.5 | 175.9 | 0 | 0 | 111.7 | L310 S315 Q316 | L310-E312 PolarHBondContact O-N 2.96Å; L310-E312 VanDerWaalsContact O-N 3.07Å; E312-S315 PolarHBondContact O-N 3.05Å; E312-S315 PolarHBondContact O-OG 3.48Å; E312-Q316 WeakPolarHBondContact O-CG 3.4Å; E312-Q316 PolarHBondContact O-N 3.17Å |
| 313 | D | 85.8 | Confident | 85.8 | Confident | 34 Ų | 34 | 62.7 Ų | 62.7 | 18% | 0.182 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.1 | -45.7 | 177.5 | -64.4 | -32.5 | 0 | 0 | 0 | 111.2 | A309 L310 S315 Q316 I317 A369 | A309-D313 HydrophobicContact CB-CB 3.96Å; L310-D313 PolarHBondContact O-N 2.86Å; D313-S315 VanDerWaalsContact C-N 3.3Å; D313-S315 PolarHBondContact O-N 3.35Å; D313-Q316 PolarHBondContact O-N 2.97Å; D313-Q316 VanDerWaalsContact O-N 3.11Å; D313-I317 VanDerWaalsContact O-CG1 3.27Å; D313-I317 WeakPolarHBondContact O-CG1 3.33Å; D313-I317 PolarHBondContact O-N 2.83Å; D313-A369 HydrophobicContact CB-CB 3.88Å |
| 314 | A | 82.9 | Confident | 86.1 | Confident | 12 Ų | 12 | 60.1 Ų | 60.1 | 10% | 0.099 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -54.1 | -47 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | A306 A309 L310 Q316 I317 R318 | A306-A314 HydrophobicContact CB-CB 4.39Å; A306-A314 WeakPolarHBondContact O-CB 3.29Å; A309-A314 HydrophobicContact CB-CB 4.34Å; L310-A314 WeakPolarHBondContact O-CB 3.48Å; L310-A314 PolarHBondContact O-N 2.67Å; A314-Q316 VanDerWaalsContact C-N 3.31Å; A314-Q316 PolarHBondContact O-N 3.32Å; A314-I317 PolarHBondContact O-N 3.49Å; A314-R318 WeakPolarHBondContact O-CG 3.45Å; A314-R318 PolarHBondContact O-N 3.4Å |
| 315 | S | 85.2 | Confident | 86.7 | Confident | 69 Ų | 69 | 56.9 Ų | 56.9 | 48% | 0.483 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.6 | -36.9 | 179.6 | 77.7 | 0 | 0 | 0 | 0 | 113.1 | P311 E312 D313 R319 | P311-S315 WeakPolarHBondContact O-CB 3.49Å; P311-S315 PolarHBondContact O-N 3.1Å; P311-S315 VanDerWaalsContact O-N 3.1Å; E312-S315 PolarHBondContact O-N 3.05Å; E312-S315 PolarHBondContact O-OG 3.48Å; D313-S315 VanDerWaalsContact C-N 3.3Å; D313-S315 PolarHBondContact O-N 3.35Å; S315-R319 WeakPolarHBondContact O-CB 3.45Å; S315-R319 PolarHBondContact O-N 2.95Å |
| 316 | Q | 91.6 | Very high | 87.2 | Confident | 93 Ų | 93 | 60.3 Ų | 60.3 | 44% | 0.435 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -71.3 | -44.1 | 177.7 | -68.4 | 178.3 | 57.5 | 0 | 0 | 111.3 | E312 D313 A314 R319 A320 | E312-Q316 WeakPolarHBondContact O-CG 3.4Å; E312-Q316 PolarHBondContact O-N 3.17Å; D313-Q316 PolarHBondContact O-N 2.97Å; D313-Q316 VanDerWaalsContact O-N 3.11Å; A314-Q316 VanDerWaalsContact C-N 3.31Å; A314-Q316 PolarHBondContact O-N 3.32Å; Q316-R319 PolarHBondContact O-N 3.18Å; Q316-A320 PolarHBondContact O-N 3.39Å |
| 317 | I | 91.8 | Very high | 87.6 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.5 | -49.4 | 178 | -65.8 | 163.1 | 0 | 0 | 0 | 110.5 | S302 I305 A306 A309 D313 A314 R319 A320 C321 L356 L365 L366 A369 | S302-I317 WeakPolarHBondContact O-CG2 3.1Å; I305-I317 HydrophobicContact CG2-CD1 4.15Å; A306-I317 HydrophobicContact CB-CB 3.92Å; A306-I317 HydrophobicContact CB-CD1 4.42Å; A306-I317 HydrophobicContact CB-CG2 3.74Å; A309-I317 HydrophobicContact CB-CD1 4.23Å; D313-I317 VanDerWaalsContact O-CG1 3.27Å; D313-I317 WeakPolarHBondContact O-CG1 3.33Å; D313-I317 PolarHBondContact O-N 2.83Å; A314-I317 PolarHBondContact O-N 3.49Å; I317-R319 VanDerWaalsContact C-N 3.29Å; I317-R319 PolarHBondContact O-N 2.82Å; I317-A320 PolarHBondContact O-N 2.89Å; I317-A320 VanDerWaalsContact O-N 3.15Å; I317-C321 PolarHBondContact O-N 3.39Å; I317-C321 PolarHBondContact O-SG 2.98Å; I317-L356 HydrophobicContact CG2-CD1 4.22Å; I317-L365 HydrophobicContact CG1-CB 4.44Å; I317-L366 HydrophobicContact CD1-CD2 3.86Å; I317-L366 HydrophobicContact CG1-CD2 3.95Å; I317-L366 HydrophobicContact CG2-CD2 3.77Å; I317-A369 HydrophobicContact CD1-CB 3.75Å |
| 318 | R | 93.5 | Very high | 88.4 | Confident | 99 Ų | 99 | 57.5 Ų | 57.5 | 37% | 0.374 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.2 | -38.9 | 179.8 | -67 | -164 | -159.1 | -91.3 | 4 | 112.3 | E303 A306 D307 A314 C321 S322 | E303-R318 WeakPolarHBondContact OE2-CG 3.4Å; E303-R318 IonicContact OE2-CZ 3.58Å; E303-R318 IonicContact OE2-NH1 3.12Å; E303-R318 PolarHBondContact OE2-NH1 2.9Å; A306-R318 HydrophobicContact CB-CG 3.86Å; D307-R318 IonicContact OD1-CZ 2.59Å; D307-R318 VanDerWaalsContact OD1-CZ 3.24Å; D307-R318 IonicContact OD1-NH1 3.86Å; D307-R318 PolarHBondContact OD1-NH1 3.07Å; D307-R318 IonicContact OD1-NH2 3.52Å; D307-R318 PolarHBondContact OD1-NH2 3.05Å; A314-R318 WeakPolarHBondContact O-CG 3.45Å; A314-R318 PolarHBondContact O-N 3.4Å; R318-C321 PolarHBondContact O-N 3.2Å; R318-S322 WeakPolarHBondContact O-CB 3.43Å; R318-S322 PolarHBondContact O-N 3.02Å |
| 319 | R | 94.4 | Very high | 89.2 | Confident | 186 Ų | 186 | 57 Ų | 57 | 70% | 0.702 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -63.2 | -45.9 | 175 | -172.5 | 180 | -70 | 177.6 | -0.8 | 111.3 | S315 Q316 I317 C321 S322 D323 | S315-R319 WeakPolarHBondContact O-CB 3.45Å; S315-R319 PolarHBondContact O-N 2.95Å; Q316-R319 PolarHBondContact O-N 3.18Å; I317-R319 VanDerWaalsContact C-N 3.29Å; I317-R319 PolarHBondContact O-N 2.82Å; R319-C321 VanDerWaalsContact C-N 3.35Å; R319-C321 PolarHBondContact O-N 3.22Å; R319-S322 PolarHBondContact O-N 3.46Å; R319-D323 PolarHBondContact O-N 3.49Å |
| 320 | A | 95 | Very high | 89.9 | Confident | 17 Ų | 17 | 58.7 Ų | 58.7 | 14% | 0.14 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q316 I317 D323 I324 L356 L365 | Q316-A320 PolarHBondContact O-N 3.39Å; I317-A320 PolarHBondContact O-N 2.89Å; I317-A320 VanDerWaalsContact O-N 3.15Å; A320-D323 PolarHBondContact O-N 3.49Å; A320-I324 VanDerWaalsContact O-CG1 3.25Å; A320-I324 WeakPolarHBondContact O-CG1 3.44Å; A320-I324 PolarHBondContact O-N 3.38Å; A320-L356 HydrophobicContact CB-CD1 4.1Å; A320-L365 HydrophobicContact CB-CD1 4.3Å |
| 321 | C | 95.3 | Very high | 90.5 | Very high | 4 Ų | 4 | 56.4 Ų | 56.4 | 3% | 0.027 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.5 | -44.9 | 177.7 | -66.1 | 0 | 0 | 0 | 0 | 111.9 | L299 S302 E303 I317 R318 R319 I324 S325 | L299-C321 HydrophobicContact CD2-CB 4.39Å; S302-C321 WeakPolarHBondContact CB-SG 3.38Å; E303-C321 HydrophobicContact CG-CB 4.39Å; E303-C321 VanDerWaalsContact OE1-CB 3.29Å; E303-C321 WeakPolarHBondContact OE1-CB 3.23Å; I317-C321 PolarHBondContact O-N 3.39Å; I317-C321 PolarHBondContact O-SG 2.98Å; R318-C321 PolarHBondContact O-N 3.2Å; R319-C321 VanDerWaalsContact C-N 3.35Å; R319-C321 PolarHBondContact O-N 3.22Å; C321-I324 PolarHBondContact O-N 3.45Å; C321-S325 VanDerWaalsContact O-CB 3.29Å; C321-S325 WeakPolarHBondContact O-CB 3.29Å; C321-S325 PolarHBondContact O-N 3.08Å |
| 322 | S | 94.8 | Very high | 91.2 | Very high | 79 Ų | 79 | 51.3 Ų | 51.3 | 55% | 0.552 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -59.8 | -46.5 | 176.1 | -171.5 | 0 | 0 | 0 | 0 | 112.1 | R318 R319 S325 S326 | R318-S322 WeakPolarHBondContact O-CB 3.43Å; R318-S322 PolarHBondContact O-N 3.02Å; R319-S322 PolarHBondContact O-N 3.46Å; S322-S325 PolarHBondContact O-N 3.3Å; S322-S326 PolarHBondContact O-N 2.83Å |
| 323 | D | 95.1 | Very high | 91.6 | Very high | 66 Ų | 66 | 50.2 Ų | 50.2 | 35% | 0.353 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.8 | -48.8 | 177.6 | -77.5 | -5.9 | 0 | 0 | 0 | 112 | R319 A320 S325 S326 M327 K352 | R319-D323 PolarHBondContact O-N 3.49Å; A320-D323 PolarHBondContact O-N 3.49Å; D323-S325 VanDerWaalsContact C-N 3.33Å; D323-S325 PolarHBondContact O-N 3.2Å; D323-S326 PolarHBondContact O-N 2.97Å; D323-M327 WeakPolarHBondContact O-CB 3.24Å; D323-M327 VanDerWaalsContact O-CG 3.23Å; D323-M327 WeakPolarHBondContact O-CG 2.89Å; D323-M327 PolarHBondContact O-N 3.44Å; D323-K352 HydrophobicContact CB-CD 4.14Å; D323-K352 IonicContact OD2-NZ 3.86Å; D323-K352 PolarHBondContact OD2-NZ 3.48Å |
| 324 | I | 95.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.8 | -41.7 | -179.7 | -66.5 | 165.4 | 0 | 0 | 0 | 110.3 | L295 L299 A320 C321 M327 T328 I349 K352 L353 L356 | L295-I324 HydrophobicContact CD2-CG2 3.91Å; L299-I324 HydrophobicContact CD1-CB 4.35Å; L299-I324 HydrophobicContact CD1-CG2 4.03Å; L299-I324 HydrophobicContact CD2-CB 3.93Å; L299-I324 HydrophobicContact CD2-CD1 4.11Å; L299-I324 HydrophobicContact CD2-CG2 3.8Å; L299-I324 HydrophobicContact CG-CG2 4.37Å; A320-I324 VanDerWaalsContact O-CG1 3.25Å; A320-I324 WeakPolarHBondContact O-CG1 3.44Å; A320-I324 PolarHBondContact O-N 3.38Å; C321-I324 PolarHBondContact O-N 3.45Å; I324-M327 PolarHBondContact O-N 3.36Å; I324-T328 VanDerWaalsContact O-CB 3.3Å; I324-T328 WeakPolarHBondContact O-CB 3.48Å; I324-T328 PolarHBondContact O-N 3.39Å; I324-T328 PolarHBondContact O-OG1 3.33Å; I324-I349 HydrophobicContact CG2-CG2 4.18Å; I324-K352 HydrophobicContact CD1-CB 4.05Å; I324-K352 HydrophobicContact CG1-CB 3.69Å; I324-K352 HydrophobicContact CG1-CD 4.25Å; I324-L353 HydrophobicContact CD1-CD1 4.3Å; I324-L356 HydrophobicContact CD1-CB 4.32Å; I324-L356 HydrophobicContact CD1-CD2 3.77Å |
| 325 | S | 94.9 | Very high | 91.7 | Very high | 40 Ų | 40 | 50.9 Ų | 50.9 | 28% | 0.28 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.3 | -51.6 | 177.6 | -167.9 | 0 | 0 | 0 | 0 | 111.1 | C321 S322 D323 M327 T328 D329 | C321-S325 VanDerWaalsContact O-CB 3.29Å; C321-S325 WeakPolarHBondContact O-CB 3.29Å; C321-S325 PolarHBondContact O-N 3.08Å; S322-S325 PolarHBondContact O-N 3.3Å; D323-S325 VanDerWaalsContact C-N 3.33Å; D323-S325 PolarHBondContact O-N 3.2Å; S325-M327 PolarHBondContact O-N 2.95Å; S325-T328 WeakPolarHBondContact O-CB 3.22Å; S325-T328 PolarHBondContact O-N 2.97Å; S325-T328 VanDerWaalsContact O-N 3.1Å; S325-D329 PolarHBondContact O-N 3.5Å |
| 326 | S | 94.7 | Very high | 91.5 | Very high | 72 Ų | 72 | 54.1 Ų | 54.1 | 50% | 0.503 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.1 | -41.5 | 178.6 | -179.3 | 0 | 0 | 0 | 0 | 113 | S322 D323 T328 D329 S330 | S322-S326 PolarHBondContact O-N 2.83Å; D323-S326 PolarHBondContact O-N 2.97Å; S326-T328 VanDerWaalsContact C-N 3.34Å; S326-D329 PolarHBondContact O-N 3.24Å; S326-S330 PolarHBondContact O-N 2.94Å; S326-S330 VanDerWaalsContact O-N 3.08Å; S326-S330 PolarHBondContact O-OG 3.44Å |
| 327 | M | 94.3 | Very high | 91 | Very high | 39 Ų | 39 | 54.2 Ų | 54.2 | 19% | 0.192 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.4 | -36.6 | 175.5 | -70.4 | 173.2 | 67.8 | 0 | 0 | 112 | D323 I324 S325 S330 L331 L345 I349 K352 | D323-M327 WeakPolarHBondContact O-CB 3.24Å; D323-M327 VanDerWaalsContact O-CG 3.23Å; D323-M327 WeakPolarHBondContact O-CG 2.89Å; D323-M327 PolarHBondContact O-N 3.44Å; I324-M327 PolarHBondContact O-N 3.36Å; S325-M327 PolarHBondContact O-N 2.95Å; M327-S330 PolarHBondContact O-N 2.85Å; M327-L331 WeakPolarHBondContact O-CB 3.42Å; M327-L331 PolarHBondContact O-N 3.16Å; M327-L345 HydrophobicContact CB-CD1 4.13Å; M327-L345 HydrophobicContact CE-CD1 3.85Å; M327-L345 HydrophobicContact CG-CD1 4.24Å; M327-I349 HydrophobicContact CB-CD1 4.04Å; M327-I349 HydrophobicContact CB-CG1 3.63Å; M327-I349 HydrophobicContact CE-CG1 3.88Å; M327-I349 WeakPolarHBondContact O-CD1 3.49Å; M327-K352 HydrophobicContact CE-CD 4.44Å; M327-K352 HydrophobicContact SD-CD 3.59Å; M327-K352 VanDerWaalsContact SD-CD 3.59Å |
| 328 | T | 92.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.9 | -44.1 | 177.4 | -58.4 | 0 | 0 | 0 | 0 | 110.9 | W279 E292 L295 I324 S325 S326 S330 L331 C332 | W279-T328 HydrophobicContact CH2-CG2 4.34Å; W279-T328 HydrophobicContact CZ3-CG2 4.43Å; E292-T328 HydrophobicContact CG-CG2 4.39Å; L295-T328 HydrophobicContact CD2-CG2 4.05Å; L295-T328 WeakPolarHBondContact CD2-OG1 3.47Å; I324-T328 VanDerWaalsContact O-CB 3.3Å; I324-T328 WeakPolarHBondContact O-CB 3.48Å; I324-T328 PolarHBondContact O-N 3.39Å; I324-T328 PolarHBondContact O-OG1 3.33Å; S325-T328 WeakPolarHBondContact O-CB 3.22Å; S325-T328 PolarHBondContact O-N 2.97Å; S325-T328 VanDerWaalsContact O-N 3.1Å; S326-T328 VanDerWaalsContact C-N 3.34Å; T328-S330 VanDerWaalsContact C-N 3.31Å; T328-S330 PolarHBondContact O-N 3.33Å; T328-L331 WeakPolarHBondContact O-CB 3.3Å; T328-L331 PolarHBondContact O-N 3.01Å; T328-L331 VanDerWaalsContact O-N 3.13Å; T328-C332 PolarHBondContact O-N 3.06Å; T328-C332 PolarHBondContact O-SG 2.91Å |
| 329 | D | 91.5 | Very high | 89 | Confident | 65 Ų | 65 | 62.7 Ų | 62.7 | 35% | 0.348 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.9 | -45.5 | 174.9 | -67.5 | -20.4 | 0 | 0 | 0 | 110.9 | R296 S325 S326 L331 C332 E333 | R296-D329 IonicContact CZ-OD1 3.32Å; R296-D329 VanDerWaalsContact CZ-OD1 3.28Å; R296-D329 IonicContact NH1-OD1 2.98Å; R296-D329 PolarHBondContact NH1-OD1 3.48Å; R296-D329 IonicContact NH2-OD1 2.79Å; R296-D329 PolarHBondContact NH2-OD1 3.42Å; S325-D329 PolarHBondContact O-N 3.5Å; S326-D329 PolarHBondContact O-N 3.24Å; D329-L331 VanDerWaalsContact C-N 3.34Å; D329-L331 PolarHBondContact O-N 2.67Å; D329-C332 WeakPolarHBondContact O-CB 3.38Å; D329-C332 PolarHBondContact O-N 2.88Å; D329-E333 PolarHBondContact O-N 3.39Å |
| 330 | S | 90.6 | Very high | 87.5 | Confident | 49 Ų | 49 | 60.5 Ų | 60.5 | 34% | 0.343 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.6 | -40.5 | 174.4 | -59 | 0 | 0 | 0 | 0 | 112.5 | S326 M327 T328 E333 L334 | S326-S330 PolarHBondContact O-N 2.94Å; S326-S330 VanDerWaalsContact O-N 3.08Å; S326-S330 PolarHBondContact O-OG 3.44Å; M327-S330 PolarHBondContact O-N 2.85Å; T328-S330 VanDerWaalsContact C-N 3.31Å; T328-S330 PolarHBondContact O-N 3.33Å; S330-E333 PolarHBondContact O-N 2.93Å; S330-L334 VanDerWaalsContact O-CG 3.25Å; S330-L334 WeakPolarHBondContact O-CG 3.5Å; S330-L334 PolarHBondContact O-N 3.43Å |
| 331 | L | 89.6 | Confident | 86.2 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.7 | -41.3 | 177.1 | -179.6 | 65.9 | 0 | 0 | 0 | 111.4 | W279 L280 M327 T328 D329 L334 R335 I342 L345 A346 I349 | W279-L331 HydrophobicContact CH2-CD2 3.77Å; W279-L331 HydrophobicContact CH2-CG 4.34Å; W279-L331 HydrophobicContact CZ3-CD2 3.61Å; L280-L331 HydrophobicContact CD2-CD2 3.78Å; M327-L331 WeakPolarHBondContact O-CB 3.42Å; M327-L331 PolarHBondContact O-N 3.16Å; T328-L331 WeakPolarHBondContact O-CB 3.3Å; T328-L331 PolarHBondContact O-N 3.01Å; T328-L331 VanDerWaalsContact O-N 3.13Å; D329-L331 VanDerWaalsContact C-N 3.34Å; D329-L331 PolarHBondContact O-N 2.67Å; L331-L334 PolarHBondContact O-N 3.08Å; L331-R335 HydrophobicContact CD1-CG 4.39Å; L331-R335 HydrophobicContact CG-CG 4.5Å; L331-R335 WeakPolarHBondContact O-CB 3.36Å; L331-R335 WeakPolarHBondContact O-CG 3.42Å; L331-R335 PolarHBondContact O-N 2.89Å; L331-I342 HydrophobicContact CD1-CB 4.45Å; L331-I342 HydrophobicContact CD1-CG2 3.7Å; L331-L345 HydrophobicContact CB-CD2 3.83Å; L331-L345 HydrophobicContact CB-CG 4.32Å; L331-L345 HydrophobicContact CD1-CB 4.44Å; L331-L345 HydrophobicContact CD1-CD2 4.33Å; L331-L345 HydrophobicContact CD1-CG 4.49Å; L331-A346 HydrophobicContact CD1-CB 4.11Å; L331-A346 HydrophobicContact CD2-CB 4.02Å; L331-I349 HydrophobicContact CB-CD1 3.79Å; L331-I349 HydrophobicContact CD2-CD1 3.67Å; L331-I349 HydrophobicContact CG-CD1 4.3Å |
| 332 | C | 87.5 | Confident | 85.3 | Confident | 2 Ų | 2 | 65.8 Ų | 65.8 | 1% | 0.014 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 177 | -70 | 0 | 0 | 0 | 0 | 111.5 | R287 E292 T328 D329 H336 | R287-C332 HydrophobicContact CG-CB 4.1Å; E292-C332 PolarHBondContact OE1-SG 2.97Å; E292-C332 PolarHBondContact OE2-SG 3.39Å; E292-C332 VanDerWaalsContact OE2-SG 3.36Å; T328-C332 PolarHBondContact O-N 3.06Å; T328-C332 PolarHBondContact O-SG 2.91Å; D329-C332 WeakPolarHBondContact O-CB 3.38Å; D329-C332 PolarHBondContact O-N 2.88Å; C332-H336 WeakPolarHBondContact O-CB 3.21Å; C332-H336 PolarHBondContact O-N 2.86Å |
| 333 | E | 86.2 | Confident | 84.6 | Confident | 127 Ų | 127 | 70 Ų | 70 | 59% | 0.593 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -63.6 | -43.9 | 173.8 | -71.4 | -174.6 | 175.1 | 0 | 0 | 112.5 | D329 S330 H336 N337 | D329-E333 PolarHBondContact O-N 3.39Å; S330-E333 PolarHBondContact O-N 2.93Å; E333-H336 WeakPolarHBondContact O-CB 3.36Å; E333-H336 PolarHBondContact O-N 2.59Å; E333-N337 WeakPolarHBondContact O-CB 3.43Å; E333-N337 PolarHBondContact O-N 2.9Å; E333-N337 PolarHBondContact O-ND2 3.37Å |
| 334 | L | 85.9 | Confident | 84.2 | Confident | 36 Ų | 36 | 76.6 Ų | 76.6 | 19% | 0.188 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.3 | -38.5 | 178.8 | -69.9 | 175.5 | 0 | 0 | 0 | 113 | S330 L331 N337 K338 Q339 I342 L345 | S330-L334 VanDerWaalsContact O-CG 3.25Å; S330-L334 WeakPolarHBondContact O-CG 3.5Å; S330-L334 PolarHBondContact O-N 3.43Å; L331-L334 PolarHBondContact O-N 3.08Å; L334-N337 CarbonylContact O-C 3.55Å; L334-N337 PolarHBondContact O-N 3.08Å; L334-K338 PolarHBondContact O-N 2.89Å; L334-K338 VanDerWaalsContact O-N 3.15Å; L334-Q339 HydrophobicContact CD2-CB 4.1Å; L334-Q339 HydrophobicContact CD2-CG 4.22Å; L334-Q339 PolarHBondContact O-N 3.03Å; L334-Q339 VanDerWaalsContact O-N 3.12Å; L334-I342 HydrophobicContact CB-CG1 4.1Å; L334-L345 HydrophobicContact CD1-CD2 3.75Å |
| 335 | R | 84.9 | Confident | 83.9 | Confident | 24 Ų | 24 | 78.3 Ų | 78.3 | 9% | 0.091 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.7 | -41.4 | 173.7 | -78.6 | 177.7 | 171.9 | -173.2 | 0.5 | 111.1 | W279 D282 A285 L331 N337 K338 I342 | W279-R335 PolarHBondContact O-NH1 3Å; W279-R335 PolarHBondContact O-NH2 3.47Å; D282-R335 PolarHBondContact O-NH2 2.97Å; A285-R335 WeakPolarHBondContact O-CD 3.39Å; L331-R335 HydrophobicContact CD1-CG 4.39Å; L331-R335 HydrophobicContact CG-CG 4.5Å; L331-R335 WeakPolarHBondContact O-CB 3.36Å; L331-R335 WeakPolarHBondContact O-CG 3.42Å; L331-R335 PolarHBondContact O-N 2.89Å; R335-N337 VanDerWaalsContact C-N 3.32Å; R335-N337 PolarHBondContact O-N 3.39Å; R335-K338 PolarHBondContact O-N 3.19Å; R335-I342 HydrophobicContact CG-CD1 3.97Å; R335-I342 HydrophobicContact CG-CG1 4.22Å; R335-I342 HydrophobicContact CG-CG2 3.89Å |
| 336 | H | 80.8 | Confident | 83.7 | Confident | 138 Ų | 138 | 76.6 Ų | 76.6 | 64% | 0.639 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -60.1 | -42.8 | 174 | -172.1 | 73.5 | 0 | 0 | 0 | 111.8 | C332 E333 K338 | C332-H336 WeakPolarHBondContact O-CB 3.21Å; C332-H336 PolarHBondContact O-N 2.86Å; E333-H336 WeakPolarHBondContact O-CB 3.36Å; E333-H336 PolarHBondContact O-N 2.59Å; H336-K338 VanDerWaalsContact C-N 3.28Å; H336-K338 PolarHBondContact O-N 3.32Å |
| 337 | N | 81.3 | Confident | 83.5 | Confident | 95 Ų | 95 | 81.5 Ų | 81.5 | 51% | 0.508 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | 5.8 | -180 | -67.1 | -28.8 | 0 | 0 | 0 | 114.8 | E333 L334 R335 Q339 | E333-N337 WeakPolarHBondContact O-CB 3.43Å; E333-N337 PolarHBondContact O-N 2.9Å; E333-N337 PolarHBondContact O-ND2 3.37Å; L334-N337 CarbonylContact O-C 3.55Å; L334-N337 PolarHBondContact O-N 3.08Å; R335-N337 VanDerWaalsContact C-N 3.32Å; R335-N337 PolarHBondContact O-N 3.39Å; N337-Q339 HydrophobicContact CB-CG 3.93Å; N337-Q339 PolarHBondContact O-N 2.91Å; N337-Q339 VanDerWaalsContact O-N 3.16Å |
| 338 | K | 73.9 | Confident | 83.5 | Confident | 187 Ų | 187 | 80.7 Ų | 80.7 | 81% | 0.813 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 33.1 | -179.1 | -58.4 | -178.1 | -179.3 | 177.4 | 0 | 114.4 | L334 R335 H336 | L334-K338 PolarHBondContact O-N 2.89Å; L334-K338 VanDerWaalsContact O-N 3.15Å; R335-K338 PolarHBondContact O-N 3.19Å; H336-K338 VanDerWaalsContact C-N 3.28Å; H336-K338 PolarHBondContact O-N 3.32Å |
| 339 | Q | 71 | Confident | 83.5 | Confident | 90 Ų | 90 | 80.7 Ų | 80.7 | 42% | 0.421 | 38% | 0.381 | S | S | . | . | trans | -78.2 | 151.5 | -175.9 | -65.1 | -167.9 | 13.1 | 0 | 0 | 112.9 | L334 N337 I341 I342 | L334-Q339 HydrophobicContact CD2-CB 4.1Å; L334-Q339 HydrophobicContact CD2-CG 4.22Å; L334-Q339 PolarHBondContact O-N 3.03Å; L334-Q339 VanDerWaalsContact O-N 3.12Å; N337-Q339 HydrophobicContact CB-CG 3.93Å; N337-Q339 PolarHBondContact O-N 2.91Å; N337-Q339 VanDerWaalsContact O-N 3.16Å; Q339-I341 VanDerWaalsContact C-N 3.34Å; Q339-I341 PolarHBondContact O-N 2.7Å; Q339-I342 WeakPolarHBondContact O-CD1 3.29Å; Q339-I342 WeakPolarHBondContact O-CG1 3.48Å | ||
| 340 | V | 62.3 | Low | 83.6 | Confident | 141 Ų | 141 | 78.2 Ų | 78.2 | 86% | 0.855 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -20.3 | -172.8 | -174.5 | 0 | 0 | 0 | 0 | 113.2 | I342 | V340-I342 PolarHBondContact O-N 3.32Š|
| 341 | I | 66.8 | Low | 83.7 | Confident | 116 Ų | 116 | 81.4 Ų | 81.4 | 60% | 0.595 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | 1.5 | -170.2 | -50.4 | 175.9 | 0 | 0 | 0 | 113 | Q339 R343 R344 | Q339-I341 VanDerWaalsContact C-N 3.34Å; Q339-I341 PolarHBondContact O-N 2.7Å; I341-R343 VanDerWaalsContact C-N 3.27Å; I341-R343 PolarHBondContact O-N 3.44Å; I341-R343 VanDerWaalsContact O-N 3.11Å; I341-R344 PolarHBondContact O-N 2.97Å |
| 342 | I | 77.2 | Confident | 83.9 | Confident | 15 Ų | 15 | 84.3 Ų | 84.3 | 8% | 0.077 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -50.7 | -40.9 | -177.7 | -66.3 | 164.3 | 0 | 0 | 0 | 112.7 | L331 L334 R335 Q339 V340 R344 L345 A346 | L331-I342 HydrophobicContact CD1-CB 4.45Å; L331-I342 HydrophobicContact CD1-CG2 3.7Å; L334-I342 HydrophobicContact CB-CG1 4.1Å; R335-I342 HydrophobicContact CG-CD1 3.97Å; R335-I342 HydrophobicContact CG-CG1 4.22Å; R335-I342 HydrophobicContact CG-CG2 3.89Å; Q339-I342 WeakPolarHBondContact O-CD1 3.29Å; Q339-I342 WeakPolarHBondContact O-CG1 3.48Å; V340-I342 PolarHBondContact O-N 3.32Å; I342-R344 VanDerWaalsContact C-N 3.34Å; I342-R344 PolarHBondContact O-N 3.42Å; I342-L345 PolarHBondContact O-N 3.39Å; I342-A346 WeakPolarHBondContact O-CB 3.47Å; I342-A346 PolarHBondContact O-N 3.48Å |
| 343 | R | 80.7 | Confident | 84.1 | Confident | 169 Ų | 169 | 84.2 Ų | 84.2 | 64% | 0.638 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -68.1 | -26.4 | -174 | -69 | -175.1 | -180 | 177 | -0.5 | 114.6 | P283 I341 R347 | P283-R343 HydrophobicContact CG-CG 4.4Å; I341-R343 VanDerWaalsContact C-N 3.27Å; I341-R343 PolarHBondContact O-N 3.44Å; I341-R343 VanDerWaalsContact O-N 3.11Å; R343-R347 WeakPolarHBondContact O-CG 3.43Å; R343-R347 PolarHBondContact O-N 3.49Å; R343-R347 PolarHBondContact O-NE 3.29Å |
| 344 | R | 85.7 | Confident | 84.4 | Confident | 203 Ų | 203 | 84.5 Ų | 84.5 | 77% | 0.766 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -78.8 | -44.2 | 179.4 | -172.3 | 178.6 | 178.5 | -177.4 | -0.9 | 110.2 | I341 I342 R347 G348 | I341-R344 PolarHBondContact O-N 2.97Å; I342-R344 VanDerWaalsContact C-N 3.34Å; I342-R344 PolarHBondContact O-N 3.42Å; R344-R347 PolarHBondContact O-N 2.98Å; R344-G348 PolarHBondContact O-N 2.74Å; R344-G348 VanDerWaalsContact O-N 3.08Å |
| 345 | L | 90.1 | Very high | 84.7 | Confident | 36 Ų | 36 | 86.9 Ų | 86.9 | 19% | 0.188 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.9 | -46.6 | 178 | -175.6 | 61.9 | 0 | 0 | 0 | 111.5 | M327 L331 L334 I342 R347 G348 I349 | M327-L345 HydrophobicContact CB-CD1 4.13Å; M327-L345 HydrophobicContact CE-CD1 3.85Å; M327-L345 HydrophobicContact CG-CD1 4.24Å; L331-L345 HydrophobicContact CB-CD2 3.83Å; L331-L345 HydrophobicContact CB-CG 4.32Å; L331-L345 HydrophobicContact CD1-CB 4.44Å; L331-L345 HydrophobicContact CD1-CD2 4.33Å; L331-L345 HydrophobicContact CD1-CG 4.49Å; L334-L345 HydrophobicContact CD1-CD2 3.75Å; I342-L345 PolarHBondContact O-N 3.39Å; L345-R347 VanDerWaalsContact C-N 3.29Å; L345-R347 PolarHBondContact O-N 3.08Å; L345-G348 WeakPolarHBondContact O-CA 3.2Å; L345-G348 PolarHBondContact O-N 3.38Å; L345-I349 HydrophobicContact CG-CD1 4.22Å; L345-I349 WeakPolarHBondContact O-CG1 3.49Å; L345-I349 PolarHBondContact O-N 3.11Å |
| 346 | A | 90.3 | Very high | 85.2 | Confident | 4 Ų | 4 | 85.8 Ų | 85.8 | 3% | 0.033 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -58.7 | -39.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L280 L331 I342 I349 A350 | L280-A346 HydrophobicContact CD2-CB 4.4Å; L280-A346 WeakPolarHBondContact O-CB 3.4Å; L331-A346 HydrophobicContact CD1-CB 4.11Å; L331-A346 HydrophobicContact CD2-CB 4.02Å; I342-A346 WeakPolarHBondContact O-CB 3.47Å; I342-A346 PolarHBondContact O-N 3.48Å; A346-I349 PolarHBondContact O-N 3.38Å; A346-A350 WeakPolarHBondContact O-CB 3.41Å; A346-A350 PolarHBondContact O-N 2.98Å |
| 347 | R | 91.3 | Very high | 85.7 | Confident | 175 Ų | 175 | 79.6 Ų | 79.6 | 66% | 0.66 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -66 | -38.6 | 172.9 | -79.3 | -175.4 | -73 | 179.2 | -0.6 | 112.8 | R343 R344 L345 A350 Q351 | R343-R347 WeakPolarHBondContact O-CG 3.43Å; R343-R347 PolarHBondContact O-N 3.49Å; R343-R347 PolarHBondContact O-NE 3.29Å; R344-R347 PolarHBondContact O-N 2.98Å; L345-R347 VanDerWaalsContact C-N 3.29Å; L345-R347 PolarHBondContact O-N 3.08Å; R347-A350 PolarHBondContact O-N 3.43Å; R347-Q351 PolarHBondContact O-N 3.42Å |
| 348 | G | 92.7 | Very high | 85.8 | Confident | 22 Ų | 22 | 75.6 Ų | 75.6 | 23% | 0.227 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64 | -40.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R344 L345 Q351 K352 | R344-G348 PolarHBondContact O-N 2.74Å; R344-G348 VanDerWaalsContact O-N 3.08Å; L345-G348 WeakPolarHBondContact O-CA 3.2Å; L345-G348 PolarHBondContact O-N 3.38Å; G348-Q351 PolarHBondContact O-N 3.26Å; G348-K352 PolarHBondContact O-N 3.4Å |
| 349 | I | 93.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.4 | -47.9 | 173.8 | -63.6 | 168.5 | 0 | 0 | 0 | 110.2 | L280 L295 I324 M327 L331 L345 A346 Q351 K352 L353 | L280-I349 HydrophobicContact CD1-CB 4.39Å; L280-I349 HydrophobicContact CD1-CG2 3.86Å; L280-I349 HydrophobicContact CD2-CB 3.92Å; L280-I349 HydrophobicContact CD2-CD1 4.24Å; L280-I349 HydrophobicContact CD2-CG2 3.71Å; L280-I349 HydrophobicContact CG-CG2 4.46Å; L295-I349 HydrophobicContact CD1-CG2 3.75Å; I324-I349 HydrophobicContact CG2-CG2 4.18Å; M327-I349 HydrophobicContact CB-CD1 4.04Å; M327-I349 HydrophobicContact CB-CG1 3.63Å; M327-I349 HydrophobicContact CE-CG1 3.88Å; M327-I349 WeakPolarHBondContact O-CD1 3.49Å; L331-I349 HydrophobicContact CB-CD1 3.79Å; L331-I349 HydrophobicContact CD2-CD1 3.67Å; L331-I349 HydrophobicContact CG-CD1 4.3Å; L345-I349 HydrophobicContact CG-CD1 4.22Å; L345-I349 WeakPolarHBondContact O-CG1 3.49Å; L345-I349 PolarHBondContact O-N 3.11Å; A346-I349 PolarHBondContact O-N 3.38Å; I349-Q351 PolarHBondContact O-N 3.22Å; I349-K352 PolarHBondContact O-N 2.95Å; I349-L353 WeakPolarHBondContact O-CB 3.19Å; I349-L353 PolarHBondContact O-N 3.15Å |
| 350 | A | 93 | Very high | 85.8 | Confident | 13 Ų | 13 | 75.6 Ų | 75.6 | 11% | 0.107 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.6 | -36.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F277 L280 A346 R347 R354 | F277-A350 HydrophobicContact CD1-CB 4.2Å; F277-A350 HydrophobicContact CE1-CB 4.12Å; L280-A350 HydrophobicContact CD1-CB 3.88Å; A346-A350 WeakPolarHBondContact O-CB 3.41Å; A346-A350 PolarHBondContact O-N 2.98Å; R347-A350 PolarHBondContact O-N 3.43Å; A350-R354 WeakPolarHBondContact O-CG 3.34Å; A350-R354 PolarHBondContact O-N 3.48Å; A350-R354 VanDerWaalsContact O-N 3.1Å |
| 351 | Q | 92.4 | Very high | 86.1 | Confident | 116 Ų | 116 | 76.4 Ų | 76.4 | 54% | 0.542 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.9 | -51.4 | 175.4 | -178 | 177.7 | -8.7 | 0 | 0 | 111.9 | R347 G348 I349 L353 R354 E355 | R347-Q351 PolarHBondContact O-N 3.42Å; G348-Q351 PolarHBondContact O-N 3.26Å; I349-Q351 PolarHBondContact O-N 3.22Å; Q351-L353 VanDerWaalsContact C-N 3.26Å; Q351-L353 PolarHBondContact O-N 3.03Å; Q351-R354 WeakPolarHBondContact O-CB 3.46Å; Q351-R354 PolarHBondContact O-N 3.4Å; Q351-R354 VanDerWaalsContact O-N 3.08Å; Q351-E355 WeakPolarHBondContact CG-OE1 3.45Å; Q351-E355 PolarHBondContact NE2-OE1 3.36Å; Q351-E355 VanDerWaalsContact NE2-OE1 3.09Å; Q351-E355 PolarHBondContact O-N 3.35Å |
| 352 | K | 93.3 | Very high | 86.4 | Confident | 61 Ų | 61 | 75.1 Ų | 75.1 | 27% | 0.265 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.6 | -36.5 | 177.2 | -79.6 | -174.9 | 175.9 | -89 | 0 | 112.4 | D323 I324 M327 G348 I349 R354 E355 L356 | D323-K352 HydrophobicContact CB-CD 4.14Å; D323-K352 IonicContact OD2-NZ 3.86Å; D323-K352 PolarHBondContact OD2-NZ 3.48Å; I324-K352 HydrophobicContact CD1-CB 4.05Å; I324-K352 HydrophobicContact CG1-CB 3.69Å; I324-K352 HydrophobicContact CG1-CD 4.25Å; M327-K352 HydrophobicContact CE-CD 4.44Å; M327-K352 HydrophobicContact SD-CD 3.59Å; M327-K352 VanDerWaalsContact SD-CD 3.59Å; G348-K352 PolarHBondContact O-N 3.4Å; I349-K352 PolarHBondContact O-N 2.95Å; K352-R354 VanDerWaalsContact C-N 3.34Å; K352-E355 PolarHBondContact O-N 3.42Å; K352-L356 WeakPolarHBondContact O-CB 3.47Å; K352-L356 PolarHBondContact O-N 3.38Å |
| 353 | L | 93.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.1 | -37.4 | 175.8 | -164.7 | 66.8 | 0 | 0 | 0 | 111.6 | L273 A276 F277 L280 I298 I324 I349 Q351 L356 V357 | L273-L353 HydrophobicContact CD1-CD2 4.3Å; L273-L353 HydrophobicContact CD1-CG 4.42Å; A276-L353 HydrophobicContact CB-CD2 4.14Å; F277-L353 HydrophobicContact CE1-CD2 4.25Å; F277-L353 HydrophobicContact CZ-CD2 4.46Å; L280-L353 HydrophobicContact CD1-CD2 4.44Å; I298-L353 HydrophobicContact CD1-CD2 4.49Å; I298-L353 HydrophobicContact CG2-CD1 3.81Å; I324-L353 HydrophobicContact CD1-CD1 4.3Å; I349-L353 WeakPolarHBondContact O-CB 3.19Å; I349-L353 PolarHBondContact O-N 3.15Å; Q351-L353 VanDerWaalsContact C-N 3.26Å; Q351-L353 PolarHBondContact O-N 3.03Å; L353-L356 PolarHBondContact O-N 3Å; L353-V357 HydrophobicContact CD1-CG2 4.4Å; L353-V357 WeakPolarHBondContact O-CB 3.41Å; L353-V357 WeakPolarHBondContact O-CG2 3.39Å; L353-V357 PolarHBondContact O-N 3.43Å |
| 354 | R | 92.7 | Very high | 86.8 | Confident | 133 Ų | 133 | 69 Ų | 69 | 50% | 0.502 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -68.2 | -36.5 | 172.3 | -73.5 | 177.9 | -169.1 | 156.5 | 1.3 | 113 | F277 A350 Q351 K352 L356 G358 | F277-R354 HydrophobicContact CE1-CG 3.92Å; F277-R354 HydrophobicContact CE2-CG 4.48Å; F277-R354 HydrophobicContact CZ-CG 3.48Å; F277-R354 VanDerWaalsContact CZ-CG 3.48Å; A350-R354 WeakPolarHBondContact O-CG 3.34Å; A350-R354 PolarHBondContact O-N 3.48Å; A350-R354 VanDerWaalsContact O-N 3.1Å; Q351-R354 WeakPolarHBondContact O-CB 3.46Å; Q351-R354 PolarHBondContact O-N 3.4Å; Q351-R354 VanDerWaalsContact O-N 3.08Å; K352-R354 VanDerWaalsContact C-N 3.34Å; R354-L356 VanDerWaalsContact C-N 3.32Å; R354-G358 WeakPolarHBondContact O-CA 3.43Å; R354-G358 PolarHBondContact O-N 2.91Å |
| 355 | E | 92.1 | Very high | 87.1 | Confident | 86 Ų | 86 | 61.1 Ų | 61.1 | 40% | 0.402 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.8 | -36.2 | 175 | -69.7 | 166.6 | -170.3 | 0 | 0 | 111.3 | Q351 K352 G364 L365 | Q351-E355 WeakPolarHBondContact CG-OE1 3.45Å; Q351-E355 PolarHBondContact NE2-OE1 3.36Å; Q351-E355 VanDerWaalsContact NE2-OE1 3.09Å; Q351-E355 PolarHBondContact O-N 3.35Å; K352-E355 PolarHBondContact O-N 3.42Å; E355-G364 WeakPolarHBondContact O-CA 3.4Å; E355-L365 PolarHBondContact O-N 3.33Å |
| 356 | L | 93.8 | Very high | 87.2 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -70.4 | -53.8 | 176.5 | -178.2 | 62.1 | 0 | 0 | 0 | 112.1 | L299 I317 A320 I324 K352 L353 R354 L365 L366 | L299-L356 HydrophobicContact CD2-CD2 4.2Å; I317-L356 HydrophobicContact CG2-CD1 4.22Å; A320-L356 HydrophobicContact CB-CD1 4.1Å; I324-L356 HydrophobicContact CD1-CB 4.32Å; I324-L356 HydrophobicContact CD1-CD2 3.77Å; K352-L356 WeakPolarHBondContact O-CB 3.47Å; K352-L356 PolarHBondContact O-N 3.38Å; L353-L356 PolarHBondContact O-N 3Å; R354-L356 VanDerWaalsContact C-N 3.32Å; L356-L365 HydrophobicContact CD1-CB 4.35Å; L356-L365 HydrophobicContact CD1-CD1 4.46Å; L356-L365 PolarHBondContact O-N 2.96Å; L356-L365 VanDerWaalsContact O-N 3.07Å; L356-L366 HydrophobicContact CD1-CD1 4.23Å; L356-L366 HydrophobicContact CD1-CD2 3.93Å; L356-L366 HydrophobicContact CD1-CG 3.82Å; L356-L366 HydrophobicContact CG-CD1 3.95Å; L356-L366 HydrophobicContact CG-CG 4.05Å; L356-L366 WeakPolarHBondContact O-CG 3.46Å; L356-L366 PolarHBondContact O-N 2.74Å |
| 357 | V | 91.8 | Very high | 87.1 | Confident | 9 Ų | 9 | 61.3 Ų | 61.3 | 6% | 0.055 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -86.5 | -34.3 | -171.6 | -177.5 | 0 | 0 | 0 | 0 | 112.7 | I269 L273 I298 L353 L366 P367 | I269-V357 HydrophobicContact CG2-CB 4.3Å; I269-V357 HydrophobicContact CG2-CG1 3.63Å; I269-V357 HydrophobicContact CG2-CG2 3.63Å; L273-V357 HydrophobicContact CD1-CB 4.26Å; L273-V357 HydrophobicContact CD1-CG1 4.12Å; L273-V357 HydrophobicContact CD1-CG2 4.1Å; L273-V357 HydrophobicContact CD2-CG1 4.09Å; I298-V357 HydrophobicContact CG2-CG2 4.05Å; L353-V357 HydrophobicContact CD1-CG2 4.4Å; L353-V357 WeakPolarHBondContact O-CB 3.41Å; L353-V357 WeakPolarHBondContact O-CG2 3.39Å; L353-V357 PolarHBondContact O-N 3.43Å; V357-L366 HydrophobicContact CG2-CD1 4.38Å; V357-P367 VanDerWaalsContact O-CD 3.31Å; V357-P367 WeakPolarHBondContact O-CD 3.4Å; V357-P367 WeakPolarHBondContact O-CG 3.25Å |
| 358 | G | 84.6 | Confident | 87 | Confident | 11 Ų | 11 | 58 Ų | 58 | 11% | 0.113 | 31% | 0.307 | C | S | . | . | trans | 92.3 | 175.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | R354 L362 G364 | R354-G358 WeakPolarHBondContact O-CA 3.43Å; R354-G358 PolarHBondContact O-N 2.91Å; G358-L362 CarbonylContact C-O 3.51Å; G358-L362 VanDerWaalsContact CA-O 3.23Å; G358-L362 WeakPolarHBondContact CA-O 3.49Å; G358-G364 VanDerWaalsContact CA-CA 3.49Å | ||
| 359 | S | 75.4 | Confident | 86.7 | Confident | 62 Ų | 62 | 57 Ų | 57 | 43% | 0.434 | 30% | 0.296 | S | S | . | . | B | Isolated β-bridge | trans | -145.5 | 177.8 | 170.8 | 72.1 | 0 | 0 | 0 | 0 | 109.1 | D361 L362 | S359-D361 PolarHBondContact O-N 3.1Å; S359-D361 PolarHBondContact OG-N 2.92Å; S359-L362 PolarHBondContact N-O 3Å; S359-L362 PolarHBondContact O-N 2.75Å; S359-L362 VanDerWaalsContact O-O 3.07Å; S359-L362 PolarHBondContact OG-N 2.89Å |
| 360 | K | 68.1 | Low | 86.2 | Confident | 215 Ų | 215 | 57.3 Ų | 57.3 | 94% | 0.935 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -26.6 | 174.5 | -69.7 | -172.2 | 178 | -175.8 | 0 | 113.5 | ||
| 361 | D | 68.6 | Low | 85.7 | Confident | 157 Ų | 157 | 60.6 Ų | 60.6 | 84% | 0.84 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | -10.6 | -175.6 | -51.7 | -50.3 | 0 | 0 | 0 | 113.6 | S359 | S359-D361 PolarHBondContact O-N 3.1Å; S359-D361 PolarHBondContact OG-N 2.92Å |
| 362 | L | 72.6 | Confident | 84.9 | Confident | 89 Ų | 89 | 56.1 Ų | 56.1 | 47% | 0.466 | 30% | 0.296 | S | S | . | . | B | Isolated β-bridge | trans | -134.5 | 119.3 | -172.2 | -148.5 | 112.2 | 0 | 0 | 0 | 110.3 | G358 S359 G364 | G358-L362 CarbonylContact C-O 3.51Å; G358-L362 VanDerWaalsContact CA-O 3.23Å; G358-L362 WeakPolarHBondContact CA-O 3.49Å; S359-L362 PolarHBondContact N-O 3Å; S359-L362 PolarHBondContact O-N 2.75Å; S359-L362 VanDerWaalsContact O-O 3.07Å; S359-L362 PolarHBondContact OG-N 2.89Å; L362-G364 PolarHBondContact O-N 3.07Å |
| 363 | G | 78.8 | Confident | 84 | Confident | 55 Ų | 55 | 53.9 Ų | 53.9 | 57% | 0.567 | 29% | 0.287 | S | S | * | . | trans | -66.7 | 121 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q368 | G363-Q368 PolarHBondContact O-NE2 2.93Š| ||
| 364 | G | 87.7 | Confident | 82.9 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | trans | -82.8 | 159.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E355 G358 L362 L366 P367 Q368 | E355-G364 WeakPolarHBondContact O-CA 3.4Å; G358-G364 VanDerWaalsContact CA-CA 3.49Å; L362-G364 PolarHBondContact O-N 3.07Å; G364-L366 VanDerWaalsContact C-N 3.32Å; G364-L366 PolarHBondContact O-N 3.1Å; G364-P367 WeakPolarHBondContact O-CD 3.34Å; G364-Q368 WeakPolarHBondContact O-CB 3.36Å; G364-Q368 WeakPolarHBondContact O-CG 3.28Å; G364-Q368 PolarHBondContact O-N 2.84Å; G364-Q368 VanDerWaalsContact O-N 3.12Å | ||
| 365 | L | 91.8 | Very high | 81.7 | Confident | 38 Ų | 38 | 61.6 Ų | 61.6 | 20% | 0.199 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.3 | -38.6 | 173.7 | -70.6 | 173.4 | 0 | 0 | 0 | 112.7 | I317 A320 E355 L356 Q368 A369 | I317-L365 HydrophobicContact CG1-CB 4.44Å; A320-L365 HydrophobicContact CB-CD1 4.3Å; E355-L365 PolarHBondContact O-N 3.33Å; L356-L365 HydrophobicContact CD1-CB 4.35Å; L356-L365 HydrophobicContact CD1-CD1 4.46Å; L356-L365 PolarHBondContact O-N 2.96Å; L356-L365 VanDerWaalsContact O-N 3.07Å; L365-Q368 PolarHBondContact O-N 3.04Å; L365-A369 WeakPolarHBondContact O-CB 3.22Å; L365-A369 PolarHBondContact O-N 3.36Å |
| 366 | L | 92.4 | Very high | 80.1 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.2 | -50 | -177.5 | -57.7 | 173 | 0 | 0 | 0 | 112.6 | L266 I269 S302 I305 I317 L356 V357 G364 Q368 A369 V370 | L266-L366 HydrophobicContact CD1-CB 3.84Å; I269-L366 HydrophobicContact CD1-CD1 3.58Å; S302-L366 WeakPolarHBondContact OG-CD1 3.47Å; I305-L366 HydrophobicContact CB-CD2 4.12Å; I305-L366 HydrophobicContact CD1-CB 4.19Å; I305-L366 HydrophobicContact CD1-CD1 4.26Å; I305-L366 HydrophobicContact CD1-CD2 4.02Å; I305-L366 HydrophobicContact CD1-CG 4.4Å; I305-L366 HydrophobicContact CG2-CD2 3.95Å; I317-L366 HydrophobicContact CD1-CD2 3.86Å; I317-L366 HydrophobicContact CG1-CD2 3.95Å; I317-L366 HydrophobicContact CG2-CD2 3.77Å; L356-L366 HydrophobicContact CD1-CD1 4.23Å; L356-L366 HydrophobicContact CD1-CD2 3.93Å; L356-L366 HydrophobicContact CD1-CG 3.82Å; L356-L366 HydrophobicContact CG-CD1 3.95Å; L356-L366 HydrophobicContact CG-CG 4.05Å; L356-L366 WeakPolarHBondContact O-CG 3.46Å; L356-L366 PolarHBondContact O-N 2.74Å; V357-L366 HydrophobicContact CG2-CD1 4.38Å; G364-L366 VanDerWaalsContact C-N 3.32Å; G364-L366 PolarHBondContact O-N 3.1Å; L366-Q368 VanDerWaalsContact C-N 3.26Å; L366-Q368 PolarHBondContact O-N 3.33Å; L366-A369 PolarHBondContact O-N 3.11Å; L366-V370 VanDerWaalsContact O-CG2 3.23Å; L366-V370 WeakPolarHBondContact O-CG2 3.26Å; L366-V370 PolarHBondContact O-N 2.85Å |
| 367 | P | 89.6 | Confident | 78.2 | Confident | 44 Ų | 44 | 61.7 Ų | 61.7 | 29% | 0.286 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.6 | -36.5 | 171 | -23.7 | 32.5 | 0 | 0 | 0 | 113.1 | L266 V357 G364 V370 H371 | L266-P367 HydrophobicContact CD1-CG 4.12Å; L266-P367 HydrophobicContact CD2-CG 4.3Å; V357-P367 VanDerWaalsContact O-CD 3.31Å; V357-P367 WeakPolarHBondContact O-CD 3.4Å; V357-P367 WeakPolarHBondContact O-CG 3.25Å; G364-P367 WeakPolarHBondContact O-CD 3.34Å; P367-V370 PolarHBondContact O-N 2.66Å; P367-H371 VanDerWaalsContact O-CB 3.27Å; P367-H371 WeakPolarHBondContact O-CB 3.47Å; P367-H371 PolarHBondContact O-N 3.21Å |
| 368 | Q | 88.3 | Confident | 76.3 | Confident | 105 Ų | 105 | 63.6 Ų | 63.6 | 49% | 0.491 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.4 | -40.2 | 176.3 | -76.7 | 173.5 | 23.2 | 0 | 0 | 112.3 | G363 G364 L365 L366 H371 G372 | G363-Q368 PolarHBondContact O-NE2 2.93Å; G364-Q368 WeakPolarHBondContact O-CB 3.36Å; G364-Q368 WeakPolarHBondContact O-CG 3.28Å; G364-Q368 PolarHBondContact O-N 2.84Å; G364-Q368 VanDerWaalsContact O-N 3.12Å; L365-Q368 PolarHBondContact O-N 3.04Å; L366-Q368 VanDerWaalsContact C-N 3.26Å; L366-Q368 PolarHBondContact O-N 3.33Å; Q368-H371 PolarHBondContact O-N 2.89Å; Q368-G372 WeakPolarHBondContact O-CA 3.37Å; Q368-G372 PolarHBondContact O-N 3.03Å |
| 369 | A | 86.1 | Confident | 75.1 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.6 | -41 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | M262 I305 A309 D313 I317 L365 L366 G372 L373 | M262-A369 HydrophobicContact CE-CB 4.05Å; I305-A369 HydrophobicContact CG2-CB 4.42Å; A309-A369 HydrophobicContact CB-CB 3.97Å; D313-A369 HydrophobicContact CB-CB 3.88Å; I317-A369 HydrophobicContact CD1-CB 3.75Å; L365-A369 WeakPolarHBondContact O-CB 3.22Å; L365-A369 PolarHBondContact O-N 3.36Å; L366-A369 PolarHBondContact O-N 3.11Å; A369-G372 PolarHBondContact O-N 3.07Å; A369-L373 WeakPolarHBondContact O-CB 3.28Å; A369-L373 PolarHBondContact O-N 3.33Å |
| 370 | V | 83.8 | Confident | 74.5 | Confident | 8 Ų | 8 | 64.4 Ų | 64.4 | 5% | 0.048 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.8 | -50.4 | 174.8 | 177.8 | 0 | 0 | 0 | 0 | 110.1 | L259 M262 K263 L266 L366 P367 G372 L373 E374 | L259-V370 HydrophobicContact CD1-CG1 4.21Å; L259-V370 WeakPolarHBondContact CD1-O 3.5Å; M262-V370 HydrophobicContact CB-CG2 3.9Å; M262-V370 HydrophobicContact CE-CG2 4.06Å; K263-V370 HydrophobicContact CG-CG1 3.87Å; L266-V370 HydrophobicContact CD2-CG2 4.39Å; L366-V370 VanDerWaalsContact O-CG2 3.23Å; L366-V370 WeakPolarHBondContact O-CG2 3.26Å; L366-V370 PolarHBondContact O-N 2.85Å; P367-V370 PolarHBondContact O-N 2.66Å; V370-G372 VanDerWaalsContact C-N 3.33Å; V370-G372 PolarHBondContact O-N 3.47Å; V370-L373 WeakPolarHBondContact O-CB 3.49Å; V370-L373 PolarHBondContact O-N 2.97Å; V370-E374 PolarHBondContact O-N 3.44Å |
| 371 | H | 81.7 | Confident | 74.5 | Confident | 82 Ų | 82 | 56 Ų | 56 | 38% | 0.38 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68.1 | -33 | 179.7 | -172 | 71.3 | 0 | 0 | 0 | 112.7 | P367 Q368 E374 R375 | P367-H371 VanDerWaalsContact O-CB 3.27Å; P367-H371 WeakPolarHBondContact O-CB 3.47Å; P367-H371 PolarHBondContact O-N 3.21Å; Q368-H371 PolarHBondContact O-N 2.89Å; H371-E374 PolarHBondContact O-N 3.23Å; H371-R375 VanDerWaalsContact NE2-CD 3.33Å; H371-R375 WeakPolarHBondContact NE2-CD 3.37Å; H371-R375 PolarHBondContact NE2-NE 3.01Å; H371-R375 VanDerWaalsContact O-CB 3.29Å; H371-R375 WeakPolarHBondContact O-CB 3.19Å; H371-R375 WeakPolarHBondContact O-CG 3.3Å; H371-R375 PolarHBondContact O-N 3.13Å |
| 372 | G | 76.3 | Confident | 74.6 | Confident | 21 Ų | 21 | 48.9 Ų | 48.9 | 22% | 0.216 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.8 | -44 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q368 A369 V370 A376 | Q368-G372 WeakPolarHBondContact O-CA 3.37Å; Q368-G372 PolarHBondContact O-N 3.03Å; A369-G372 PolarHBondContact O-N 3.07Å; V370-G372 VanDerWaalsContact C-N 3.33Å; V370-G372 PolarHBondContact O-N 3.47Å; G372-A376 WeakPolarHBondContact O-CB 3.43Å; G372-A376 PolarHBondContact O-N 3.19Å |
| 373 | L | 73.4 | Confident | 74.7 | Confident | 14 Ų | 14 | 47.6 Ų | 47.6 | 7% | 0.073 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.2 | -46.1 | 172.6 | -162.2 | 74.9 | 0 | 0 | 0 | 111.6 | D258 L259 M262 L310 A369 V370 R375 A376 H380 | D258-L373 HydrophobicContact CB-CD2 4.04Å; L259-L373 HydrophobicContact CD1-CB 4.2Å; L259-L373 HydrophobicContact CD1-CD2 4.27Å; L259-L373 HydrophobicContact CD1-CG 4.5Å; M262-L373 HydrophobicContact SD-CD2 3.47Å; M262-L373 WeakPolarHBondContact SD-CD2 3.44Å; L310-L373 HydrophobicContact CD2-CD1 4.28Å; L310-L373 HydrophobicContact CG-CD1 4.39Å; A369-L373 WeakPolarHBondContact O-CB 3.28Å; A369-L373 PolarHBondContact O-N 3.33Å; V370-L373 WeakPolarHBondContact O-CB 3.49Å; V370-L373 PolarHBondContact O-N 2.97Å; L373-R375 PolarHBondContact O-N 2.97Å; L373-A376 PolarHBondContact O-N 2.78Å; L373-H380 WeakPolarHBondContact CD1-CE1 3.23Å; L373-H380 WeakPolarHBondContact CD1-NE2 3.39Å |
| 374 | E | 70.6 | Confident | 74.8 | Confident | 99 Ų | 99 | 45 Ų | 45 | 46% | 0.463 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.8 | -43.8 | 178 | -159.7 | 163.5 | -144.6 | 0 | 0 | 111.8 | L259 K263 V370 H371 | L259-E374 HydrophobicContact CD1-CB 3.73Å; L259-E374 HydrophobicContact CD1-CG 4.23Å; L259-E374 HydrophobicContact CD2-CB 4.5Å; L259-E374 HydrophobicContact CD2-CG 4.08Å; K263-E374 IonicContact NZ-OE1 3.34Å; K263-E374 PolarHBondContact NZ-OE1 3.38Å; V370-E374 PolarHBondContact O-N 3.44Å; H371-E374 PolarHBondContact O-N 3.23Å |
| 375 | R | 67.8 | Low | 74.7 | Confident | 197 Ų | 197 | 45 Ų | 45 | 74% | 0.743 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -77.2 | -30.9 | 179.4 | -83.3 | -168 | 163.6 | 167.9 | 0.8 | 114.2 | H371 L373 G377 | H371-R375 VanDerWaalsContact NE2-CD 3.33Å; H371-R375 WeakPolarHBondContact NE2-CD 3.37Å; H371-R375 PolarHBondContact NE2-NE 3.01Å; H371-R375 VanDerWaalsContact O-CB 3.29Å; H371-R375 WeakPolarHBondContact O-CB 3.19Å; H371-R375 WeakPolarHBondContact O-CG 3.3Å; H371-R375 PolarHBondContact O-N 3.13Å; L373-R375 PolarHBondContact O-N 2.97Å; R375-G377 PolarHBondContact O-N 3.27Å |
| 376 | A | 59.9 | Low | 74.4 | Confident | 27 Ų | 27 | 44.4 Ų | 44.4 | 22% | 0.223 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.2 | -38.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | L310 G372 L373 V378 | L310-A376 HydrophobicContact CD1-CB 4.23Å; L310-A376 HydrophobicContact CD2-CB 4.41Å; G372-A376 WeakPolarHBondContact O-CB 3.43Å; G372-A376 PolarHBondContact O-N 3.19Å; L373-A376 PolarHBondContact O-N 2.78Å; A376-V378 HydrophobicContact CB-CB 4.26Å; A376-V378 HydrophobicContact CB-CG2 3.98Å; A376-V378 VanDerWaalsContact O-CG2 3.31Å; A376-V378 WeakPolarHBondContact O-CG2 3.24Å; A376-V378 PolarHBondContact O-N 3.2Å |
| 377 | G | 52.4 | Low | 73.9 | Confident | 61 Ų | 61 | 44.6 Ų | 44.6 | 63% | 0.629 | 25% | 0.248 | S | C | * | . | trans | 49.4 | 20.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R375 A379 | R375-G377 PolarHBondContact O-N 3.27Å; G377-A379 PolarHBondContact O-N 2.86Å | ||
| 378 | V | 52.1 | Low | 73.8 | Confident | 49 Ų | 49 | 43.9 Ų | 43.9 | 30% | 0.297 | 24% | 0.239 | S | C | . | . | trans | -88.5 | 108.2 | 179.2 | 179.7 | 0 | 0 | 0 | 0 | 102.9 | A376 H380 | A376-V378 HydrophobicContact CB-CB 4.26Å; A376-V378 HydrophobicContact CB-CG2 3.98Å; A376-V378 VanDerWaalsContact O-CG2 3.31Å; A376-V378 WeakPolarHBondContact O-CG2 3.24Å; A376-V378 PolarHBondContact O-N 3.2Å; V378-H380 PolarHBondContact O-CE1 3.29Å; V378-H380 PolarHBondContact O-N 3.05Å; V378-H380 PolarHBondContact O-ND1 3.44Å | ||
| 379 | A | 60.2 | Low | 73.8 | Confident | 39 Ų | 39 | 40 Ų | 40 | 32% | 0.322 | 22% | 0.222 | S | C | . | . | P | Polyproline II helix | trans | -55 | 134.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109 | G377 V406 | G377-A379 PolarHBondContact O-N 2.86Å; A379-V406 HydrophobicContact CB-CG1 4.18Å; A379-V406 HydrophobicContact CB-CG2 3.56Å; A379-V406 VanDerWaalsContact O-CG2 3.22Å; A379-V406 WeakPolarHBondContact O-CG2 3.45Å |
| 380 | H | 62.4 | Low | 73.8 | Confident | 51 Ų | 51 | 44.7 Ų | 44.7 | 24% | 0.236 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -89.6 | 153.4 | -178.9 | -70.5 | 78.1 | 0 | 0 | 0 | 109.2 | L373 V378 A382 Q391 | L373-H380 WeakPolarHBondContact CD1-CE1 3.23Å; L373-H380 WeakPolarHBondContact CD1-NE2 3.39Å; V378-H380 PolarHBondContact O-CE1 3.29Å; V378-H380 PolarHBondContact O-N 3.05Å; V378-H380 PolarHBondContact O-ND1 3.44Å; H380-A382 PolarHBondContact O-N 3Å; H380-Q391 PolarHBondContact O-NE2 3.43Å |
| 381 | P | 69 | Low | 73.8 | Confident | 38 Ų | 38 | 45.9 Ų | 45.9 | 25% | 0.247 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -47.7 | 126.4 | 160.9 | -29.8 | 39.2 | 0 | 0 | 0 | 109.9 | R388 Q391 N409 A410 | P381-R388 HydrophobicContact CB-CG 4.47Å; P381-Q391 VanDerWaalsContact CA-OE1 3.32Å; P381-N409 HydrophobicContact CG-CB 3.69Å; P381-A410 HydrophobicContact CB-CB 4.29Å |
| 382 | A | 70.7 | Confident | 74.2 | Confident | 8 Ų | 8 | 42 Ų | 42 | 7% | 0.066 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -55.9 | 151.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | W254 H380 T384 G387 R388 | W254-A382 HydrophobicContact CE3-CB 4.14Å; W254-A382 HydrophobicContact CZ3-CB 4.31Å; H380-A382 PolarHBondContact O-N 3Å; A382-T384 VanDerWaalsContact C-N 3.27Å; A382-T384 PolarHBondContact O-N 2.91Å; A382-G387 VanDerWaalsContact CB-C 3.41Å; A382-R388 HydrophobicContact CB-CG 4.36Å; A382-R388 WeakPolarHBondContact O-CG 3.47Å; A382-R388 PolarHBondContact O-NE 2.95Å |
| 383 | H | 72.7 | Confident | 74.9 | Confident | 62 Ų | 62 | 43.7 Ų | 43.7 | 29% | 0.287 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -69.4 | -25 | -178 | 60.6 | -92.2 | 0 | 0 | 0 | 113 | W254 R388 | W254-H383 AromaticContact CD2-CE1 3.29Å; W254-H383 AromaticContact CE2-CE1 3.77Å; W254-H383 AromaticContact CE3-CE1 3.32Å; W254-H383 AromaticContact CE3-ND1 3.72Å; W254-H383 AromaticContact CE3-NE2 3.96Å; W254-H383 AromaticContact CG-CE1 3.69Å; W254-H383 AromaticContact CZ3-CE1 3.82Å; H383-R388 PolarHBondContact O-NH2 2.92Å |
| 384 | T | 81.7 | Confident | 75.6 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.012 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -99.6 | 150.5 | 174.3 | 71.9 | 0 | 0 | 0 | 0 | 113.2 | W254 A382 L386 G387 R388 T541 V551 | W254-T384 HydrophobicContact CH2-CG2 3.84Å; W254-T384 VanDerWaalsContact CH2-OG1 3.27Å; W254-T384 WeakPolarHBondContact CH2-OG1 3.31Å; W254-T384 HydrophobicContact CZ3-CG2 3.99Å; W254-T384 WeakPolarHBondContact CZ3-OG1 3.39Å; A382-T384 VanDerWaalsContact C-N 3.27Å; A382-T384 PolarHBondContact O-N 2.91Å; T384-L386 PolarHBondContact O-N 3.32Å; T384-G387 PolarHBondContact O-N 3.05Å; T384-G387 PolarHBondContact OG1-N 3.22Å; T384-R388 WeakPolarHBondContact O-CG 3.46Å; T384-R388 PolarHBondContact O-N 3.04Å; T384-T541 CarbonylContact C-O 3.55Å; T384-T541 WeakPolarHBondContact CA-O 3.37Å; T384-T541 WeakPolarHBondContact CB-O 3.3Å; T384-V551 HydrophobicContact CG2-CG1 4.25Å |
| 385 | V | 86.5 | Confident | 76.4 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -53.1 | -41.4 | 170 | 162.3 | 0 | 0 | 0 | 0 | 111.3 | R388 I389 L414 E417 K476 M479 T541 A542 | V385-R388 PolarHBondContact O-N 2.84Å; V385-I389 HydrophobicContact CG1-CD1 3.85Å; V385-I389 VanDerWaalsContact O-CG1 3.28Å; V385-I389 WeakPolarHBondContact O-CG1 3.47Å; V385-I389 PolarHBondContact O-N 3.33Å; V385-L414 HydrophobicContact CB-CD1 4.22Å; V385-L414 HydrophobicContact CG1-CD1 3.58Å; V385-L414 HydrophobicContact CG2-CD1 4.14Å; V385-E417 HydrophobicContact CG2-CG 4.09Å; V385-K476 HydrophobicContact CG1-CD 4.02Å; V385-M479 HydrophobicContact CG1-CE 4.03Å; V385-M479 HydrophobicContact CG1-SD 4.41Å; V385-M479 HydrophobicContact CG2-CE 3.69Å; V385-T541 PolarHBondContact N-O 2.95Å; V385-A542 HydrophobicContact CB-CB 4.4Å; V385-A542 HydrophobicContact CG2-CB 3.75Å |
| 386 | L | 85.7 | Confident | 77.4 | Confident | 24 Ų | 24 | 37.2 Ų | 37.2 | 13% | 0.126 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.4 | -44.9 | 179.3 | -172.2 | 138 | 0 | 0 | 0 | 111.6 | T384 R388 I389 E390 K546 | T384-L386 PolarHBondContact O-N 3.32Å; L386-R388 VanDerWaalsContact C-N 3.35Å; L386-R388 PolarHBondContact O-N 3.44Å; L386-I389 PolarHBondContact O-N 3.19Å; L386-E390 HydrophobicContact CD2-CG 4.37Å; L386-E390 WeakPolarHBondContact CD2-OE1 3.44Å; L386-E390 WeakPolarHBondContact O-CG 3.25Å; L386-E390 PolarHBondContact O-N 3.4Å; L386-K546 HydrophobicContact CD1-CD 4.43Å; L386-K546 HydrophobicContact CD1-CG 4.05Å; L386-K546 HydrophobicContact CD2-CD 3.98Å; L386-K546 HydrophobicContact CD2-CG 3.94Å |
| 387 | G | 81.5 | Confident | 78.6 | Confident | 5 Ų | 5 | 38.7 Ų | 38.7 | 5% | 0.052 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.8 | -40 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A382 T384 E390 Q391 | A382-G387 VanDerWaalsContact CB-C 3.41Å; T384-G387 PolarHBondContact O-N 3.05Å; T384-G387 PolarHBondContact OG1-N 3.22Å; G387-E390 PolarHBondContact O-N 2.98Å; G387-Q391 WeakPolarHBondContact O-CG 3.39Å; G387-Q391 PolarHBondContact O-N 2.96Å |
| 388 | R | 86.2 | Confident | 79.9 | Confident | 28 Ų | 28 | 38.8 Ų | 38.8 | 11% | 0.106 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.7 | -44.4 | 175.6 | -68.8 | 175.7 | -163.7 | 164.6 | 9.7 | 110.7 | P381 A382 H383 T384 V385 L386 E390 Q391 V392 A410 S413 L414 E417 | P381-R388 HydrophobicContact CB-CG 4.47Å; A382-R388 HydrophobicContact CB-CG 4.36Å; A382-R388 WeakPolarHBondContact O-CG 3.47Å; A382-R388 PolarHBondContact O-NE 2.95Å; H383-R388 PolarHBondContact O-NH2 2.92Å; T384-R388 WeakPolarHBondContact O-CG 3.46Å; T384-R388 PolarHBondContact O-N 3.04Å; V385-R388 PolarHBondContact O-N 2.84Å; L386-R388 VanDerWaalsContact C-N 3.35Å; L386-R388 PolarHBondContact O-N 3.44Å; R388-E390 VanDerWaalsContact C-N 3.33Å; R388-E390 PolarHBondContact O-N 3.43Å; R388-Q391 PolarHBondContact O-N 2.94Å; R388-V392 WeakPolarHBondContact O-CG2 3.4Å; R388-V392 PolarHBondContact O-N 3.02Å; R388-A410 HydrophobicContact CB-CB 4.19Å; R388-A410 HydrophobicContact CG-CB 4.38Å; R388-S413 PolarHBondContact NE-OG 2.74Å; R388-S413 PolarHBondContact NH1-O 3.25Å; R388-S413 PolarHBondContact NH1-OG 2.9Å; R388-L414 HydrophobicContact CB-CB 4.42Å; R388-E417 IonicContact NH1-OE2 3.98Å |
| 389 | I | 90.2 | Very high | 80.8 | Confident | 24 Ų | 24 | 38 Ų | 38 | 12% | 0.123 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.2 | -44 | 174.4 | -70.4 | 167.8 | 0 | 0 | 0 | 110.4 | V385 L386 Q391 V392 L393 L414 K476 | V385-I389 HydrophobicContact CG1-CD1 3.85Å; V385-I389 VanDerWaalsContact O-CG1 3.28Å; V385-I389 WeakPolarHBondContact O-CG1 3.47Å; V385-I389 PolarHBondContact O-N 3.33Å; L386-I389 PolarHBondContact O-N 3.19Å; I389-Q391 PolarHBondContact O-N 3.28Å; I389-V392 PolarHBondContact O-N 3.28Å; I389-L393 HydrophobicContact CG2-CD1 3.74Å; I389-L393 HydrophobicContact CG2-CG 4.09Å; I389-L393 WeakPolarHBondContact O-CB 3.3Å; I389-L393 WeakPolarHBondContact O-CG 3.39Å; I389-L393 PolarHBondContact O-N 2.82Å; I389-L414 HydrophobicContact CD1-CD1 4.46Å; I389-L414 HydrophobicContact CD1-CD2 4.45Å; I389-L414 HydrophobicContact CG1-CD1 4.24Å; I389-L414 HydrophobicContact CG1-CD2 3.67Å; I389-K476 HydrophobicContact CD1-CB 3.94Å; I389-K476 HydrophobicContact CD1-CD 3.7Å; I389-K476 HydrophobicContact CD1-CG 3.95Å |
| 390 | E | 85.9 | Confident | 81.4 | Confident | 99 Ų | 99 | 42.6 Ų | 42.6 | 46% | 0.463 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62 | -42 | 177.4 | -73.4 | -178.5 | 178.3 | 0 | 0 | 112 | L386 G387 R388 L393 K394 K546 | L386-E390 HydrophobicContact CD2-CG 4.37Å; L386-E390 WeakPolarHBondContact CD2-OE1 3.44Å; L386-E390 WeakPolarHBondContact O-CG 3.25Å; L386-E390 PolarHBondContact O-N 3.4Å; G387-E390 PolarHBondContact O-N 2.98Å; R388-E390 VanDerWaalsContact C-N 3.33Å; R388-E390 PolarHBondContact O-N 3.43Å; E390-L393 PolarHBondContact O-N 2.69Å; E390-K394 VanDerWaalsContact O-CB 3.3Å; E390-K394 WeakPolarHBondContact O-CB 3.38Å; E390-K394 PolarHBondContact O-N 2.88Å; E390-K546 IonicContact OE1-NZ 2.64Å; E390-K546 PolarHBondContact OE1-NZ 3.36Å |
| 391 | Q | 83.3 | Confident | 81.7 | Confident | 32 Ų | 32 | 45.7 Ų | 45.7 | 15% | 0.15 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.6 | -44.9 | 173.4 | -72.4 | 174.9 | -26.2 | 0 | 0 | 112.2 | H380 P381 G387 R388 I389 K394 W395 V406 A410 | H380-Q391 PolarHBondContact O-NE2 3.43Å; P381-Q391 VanDerWaalsContact CA-OE1 3.32Å; G387-Q391 WeakPolarHBondContact O-CG 3.39Å; G387-Q391 PolarHBondContact O-N 2.96Å; R388-Q391 PolarHBondContact O-N 2.94Å; I389-Q391 PolarHBondContact O-N 3.28Å; Q391-K394 WeakPolarHBondContact O-CB 3.37Å; Q391-K394 PolarHBondContact O-N 2.9Å; Q391-W395 PolarHBondContact O-N 2.97Å; Q391-V406 HydrophobicContact CB-CG1 4.41Å; Q391-V406 HydrophobicContact CG-CG1 4.38Å; Q391-A410 HydrophobicContact CB-CB 4.08Å |
| 392 | V | 90.6 | Very high | 81.7 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.4 | -47.4 | 175.3 | 174.9 | 0 | 0 | 0 | 0 | 110.5 | R388 I389 K394 W395 L396 G407 A410 L411 L472 | R388-V392 WeakPolarHBondContact O-CG2 3.4Å; R388-V392 PolarHBondContact O-N 3.02Å; I389-V392 PolarHBondContact O-N 3.28Å; V392-K394 VanDerWaalsContact C-N 3.27Å; V392-K394 PolarHBondContact O-N 3.27Å; V392-W395 HydrophobicContact CG1-CE3 4.38Å; V392-W395 WeakPolarHBondContact O-CB 3.39Å; V392-W395 PolarHBondContact O-N 3.12Å; V392-L396 HydrophobicContact CG1-CD1 3.93Å; V392-L396 HydrophobicContact CG1-CG 4.25Å; V392-L396 WeakPolarHBondContact O-CB 3.25Å; V392-L396 VanDerWaalsContact O-CG 3.24Å; V392-L396 WeakPolarHBondContact O-CG 3.27Å; V392-L396 PolarHBondContact O-N 3.47Å; V392-G407 WeakPolarHBondContact CG2-O 3.31Å; V392-A410 HydrophobicContact CG2-CB 3.97Å; V392-L411 HydrophobicContact CG1-CD1 4.45Å; V392-L411 HydrophobicContact CG2-CB 3.83Å; V392-L411 HydrophobicContact CG2-CD1 4.39Å; V392-L472 HydrophobicContact CG1-CD1 3.53Å |
| 393 | L | 91.2 | Very high | 81.8 | Confident | 57 Ų | 57 | 52.1 Ų | 52.1 | 30% | 0.298 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.5 | -32.6 | 179.1 | -70.1 | 176.2 | 0 | 0 | 0 | 112.4 | I389 E390 A397 R469 | I389-L393 HydrophobicContact CG2-CD1 3.74Å; I389-L393 HydrophobicContact CG2-CG 4.09Å; I389-L393 WeakPolarHBondContact O-CB 3.3Å; I389-L393 WeakPolarHBondContact O-CG 3.39Å; I389-L393 PolarHBondContact O-N 2.82Å; E390-L393 PolarHBondContact O-N 2.69Å; L393-A397 VanDerWaalsContact O-CB 3.28Å; L393-A397 WeakPolarHBondContact O-CB 3.38Å; L393-A397 PolarHBondContact O-N 3.32Å; L393-R469 HydrophobicContact CD2-CG 3.9Å; L393-R469 PolarHBondContact O-NH2 3.38Å |
| 394 | K | 86.1 | Confident | 81.6 | Confident | 150 Ų | 150 | 55.3 Ų | 55.3 | 65% | 0.652 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -67.9 | -44 | 173.7 | -174.4 | -178.4 | 179.6 | -175.3 | 0 | 111.3 | E390 Q391 V392 A397 N398 | E390-K394 VanDerWaalsContact O-CB 3.3Å; E390-K394 WeakPolarHBondContact O-CB 3.38Å; E390-K394 PolarHBondContact O-N 2.88Å; Q391-K394 WeakPolarHBondContact O-CB 3.37Å; Q391-K394 PolarHBondContact O-N 2.9Å; V392-K394 VanDerWaalsContact C-N 3.27Å; V392-K394 PolarHBondContact O-N 3.27Å; K394-A397 PolarHBondContact O-N 3.4Å; K394-N398 PolarHBondContact O-N 3.02Å; K394-N398 PolarHBondContact O-ND2 3.32Å |
| 395 | W | 87.4 | Confident | 81.4 | Confident | 20 Ų | 20 | 56.4 Ų | 56.4 | 8% | 0.076 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.2 | -49 | 172.3 | 169.1 | 59.5 | 0 | 0 | 0 | 111.2 | Q391 V392 A397 N398 D403 L447 | Q391-W395 PolarHBondContact O-N 2.97Å; V392-W395 HydrophobicContact CG1-CE3 4.38Å; V392-W395 WeakPolarHBondContact O-CB 3.39Å; V392-W395 PolarHBondContact O-N 3.12Å; W395-A397 PolarHBondContact O-N 2.95Å; W395-N398 CarbonylContact O-C 3.59Å; W395-N398 PolarHBondContact O-N 2.68Å; W395-N398 VanDerWaalsContact O-N 3.07Å; W395-D403 WeakPolarHBondContact CB-OD2 3.38Å; W395-D403 VanDerWaalsContact CD1-OD2 3.3Å; W395-L447 HydrophobicContact CH2-CD2 4.08Å; W395-L447 HydrophobicContact CZ2-CD2 4.35Å |
| 396 | L | 89.1 | Confident | 81 | Confident | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.9 | -21.1 | 177.2 | -65.2 | 179.7 | 0 | 0 | 0 | 114 | V392 L447 I465 L468 R469 L472 | V392-L396 HydrophobicContact CG1-CD1 3.93Å; V392-L396 HydrophobicContact CG1-CG 4.25Å; V392-L396 WeakPolarHBondContact O-CB 3.25Å; V392-L396 VanDerWaalsContact O-CG 3.24Å; V392-L396 WeakPolarHBondContact O-CG 3.27Å; V392-L396 PolarHBondContact O-N 3.47Å; L396-L447 HydrophobicContact CD2-CD2 3.49Å; L396-L447 VanDerWaalsContact CD2-CD2 3.49Å; L396-I465 HydrophobicContact CB-CG2 4.11Å; L396-I465 HydrophobicContact CD2-CG1 4.19Å; L396-L468 HydrophobicContact CD1-CB 4.37Å; L396-L468 HydrophobicContact CD1-CD2 3.75Å; L396-L468 HydrophobicContact CD1-CG 4.07Å; L396-L468 HydrophobicContact CD2-CD2 3.61Å; L396-L468 HydrophobicContact CG-CD2 4.27Å; L396-R469 HydrophobicContact CD1-CG 4.1Å; L396-R469 PolarHBondContact O-NH2 3.05Å; L396-L472 HydrophobicContact CD1-CD1 4.08Å |
| 397 | A | 85.4 | Confident | 80.9 | Confident | 57 Ų | 57 | 55.9 Ų | 55.9 | 47% | 0.471 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -83.5 | -22 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L393 K394 W395 P399 R469 | L393-A397 VanDerWaalsContact O-CB 3.28Å; L393-A397 WeakPolarHBondContact O-CB 3.38Å; L393-A397 PolarHBondContact O-N 3.32Å; K394-A397 PolarHBondContact O-N 3.4Å; W395-A397 PolarHBondContact O-N 2.95Å; A397-P399 VanDerWaalsContact C-CD 3.44Å; A397-R469 VanDerWaalsContact CA-NH2 3.28Å; A397-R469 VanDerWaalsContact N-NH2 3.12Å |
| 398 | N | 80.4 | Confident | 81.1 | Confident | 64 Ų | 64 | 61 Ų | 61 | 34% | 0.342 | 31% | 0.307 | S | S | . | . | trans | -130.1 | 62.1 | -173.7 | -59.5 | -77.9 | 0 | 0 | 0 | 111.6 | K394 W395 H400 L401 | K394-N398 PolarHBondContact O-N 3.02Å; K394-N398 PolarHBondContact O-ND2 3.32Å; W395-N398 CarbonylContact O-C 3.59Å; W395-N398 PolarHBondContact O-N 2.68Å; W395-N398 VanDerWaalsContact O-N 3.07Å; N398-H400 PolarHBondContact O-N 2.86Å; N398-L401 HydrophobicContact CB-CB 4.05Å; N398-L401 HydrophobicContact CB-CD1 3.7Å; N398-L401 HydrophobicContact CB-CG 4.24Å; N398-L401 PolarHBondContact O-N 3.42Å | ||
| 399 | P | 71.3 | Confident | 81 | Confident | 32 Ų | 32 | 63.5 Ų | 63.5 | 21% | 0.208 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -10.9 | -175.4 | 22.4 | -31.1 | 0 | 0 | 0 | 114.7 | A397 I465 | A397-P399 VanDerWaalsContact C-CD 3.44Å; P399-I465 HydrophobicContact CG-CD1 4.42Å |
| 400 | H | 71.4 | Confident | 80.8 | Confident | 135 Ų | 135 | 62.4 Ų | 62.4 | 63% | 0.625 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -17.7 | 176.4 | -48.3 | -57.7 | 0 | 0 | 0 | 114.2 | N398 D457 | N398-H400 PolarHBondContact O-N 2.86Å; H400-D457 IonicContact CE1-OD1 3.66Å; H400-D457 IonicContact CE1-OD2 2.85Å; H400-D457 PolarHBondContact CE1-OD2 3.13Å; H400-D457 IonicContact NE2-OD1 2.73Å; H400-D457 IonicContact NE2-OD2 3.71Å; H400-D457 PolarHBondContact NE2-OD2 3.06Å |
| 401 | L | 70.2 | Confident | 81.2 | Confident | 117 Ų | 117 | 57.8 Ų | 57.8 | 61% | 0.613 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -87.5 | 118.3 | -179.8 | -78.2 | 166.3 | 0 | 0 | 0 | 107.8 | N398 D403 | N398-L401 HydrophobicContact CB-CB 4.05Å; N398-L401 HydrophobicContact CB-CD1 3.7Å; N398-L401 HydrophobicContact CB-CG 4.24Å; N398-L401 PolarHBondContact O-N 3.42Å; L401-D403 PolarHBondContact O-N 3.37Å; L401-D403 VanDerWaalsContact O-N 3.07Å |
| 402 | D | 68.9 | Low | 81.5 | Confident | 139 Ų | 139 | 58.9 Ų | 58.9 | 74% | 0.743 | 31% | 0.31 | S | S | * | . | trans | -68.8 | 104.7 | 170.1 | -177.1 | 13.4 | 0 | 0 | 0 | 108.6 | K404 | D402-K404 PolarHBondContact O-N 3.42Å; D402-K404 WeakPolarHBondContact OD1-CA 3.39Å; D402-K404 PolarHBondContact OD1-N 2.82Å | ||
| 403 | D | 71.7 | Confident | 81.3 | Confident | 42 Ų | 42 | 60.6 Ų | 60.6 | 23% | 0.225 | 32% | 0.321 | C | S | . | . | trans | -86.4 | 13.7 | 174.4 | 72.2 | -13.4 | 0 | 0 | 0 | 111.8 | W395 L401 G405 V406 G407 | W395-D403 WeakPolarHBondContact CB-OD2 3.38Å; W395-D403 VanDerWaalsContact CD1-OD2 3.3Å; L401-D403 PolarHBondContact O-N 3.37Å; L401-D403 VanDerWaalsContact O-N 3.07Å; D403-G405 PolarHBondContact O-N 3.02Å; D403-G405 VanDerWaalsContact O-N 3.09Å; D403-G405 PolarHBondContact OD1-N 3.26Å; D403-V406 HydrophobicContact CB-CB 4.32Å; D403-V406 WeakPolarHBondContact O-CB 3.38Å; D403-V406 WeakPolarHBondContact O-CG2 3.37Å; D403-V406 PolarHBondContact O-N 3.42Å; D403-V406 VanDerWaalsContact O-N 3.13Å; D403-G407 WeakPolarHBondContact OD2-CA 3.42Å; D403-G407 PolarHBondContact OD2-N 3.16Å | ||
| 404 | K | 70 | Confident | 81.3 | Confident | 129 Ų | 129 | 58 Ų | 58 | 56% | 0.561 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 24.9 | -177.7 | -56.1 | -179 | -179.5 | 175.6 | 0 | 113.5 | D402 | D402-K404 PolarHBondContact O-N 3.42Å; D402-K404 WeakPolarHBondContact OD1-CA 3.39Å; D402-K404 PolarHBondContact OD1-N 2.82Å |
| 405 | G | 76.2 | Confident | 81.7 | Confident | 24 Ų | 24 | 51 Ų | 51 | 25% | 0.247 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | 5.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | D403 G407 R408 N409 | D403-G405 PolarHBondContact O-N 3.02Å; D403-G405 VanDerWaalsContact O-N 3.09Å; D403-G405 PolarHBondContact OD1-N 3.26Å; G405-G407 PolarHBondContact O-N 3.48Å; G405-R408 PolarHBondContact O-N 2.93Å; G405-N409 WeakPolarHBondContact O-CB 3.18Å; G405-N409 VanDerWaalsContact O-CG 3.25Å; G405-N409 PolarHBondContact O-N 3.05Å; G405-N409 PolarHBondContact O-ND2 3.4Å |
| 406 | V | 78.2 | Confident | 81.9 | Confident | 15 Ų | 15 | 53.8 Ų | 53.8 | 9% | 0.091 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -52.7 | -52.5 | 179.2 | 176.2 | 0 | 0 | 0 | 0 | 111.3 | A379 Q391 D403 R408 N409 A410 | A379-V406 HydrophobicContact CB-CG1 4.18Å; A379-V406 HydrophobicContact CB-CG2 3.56Å; A379-V406 VanDerWaalsContact O-CG2 3.22Å; A379-V406 WeakPolarHBondContact O-CG2 3.45Å; Q391-V406 HydrophobicContact CB-CG1 4.41Å; Q391-V406 HydrophobicContact CG-CG1 4.38Å; D403-V406 HydrophobicContact CB-CB 4.32Å; D403-V406 WeakPolarHBondContact O-CB 3.38Å; D403-V406 WeakPolarHBondContact O-CG2 3.37Å; D403-V406 PolarHBondContact O-N 3.42Å; D403-V406 VanDerWaalsContact O-N 3.13Å; V406-R408 VanDerWaalsContact C-N 3.31Å; V406-R408 PolarHBondContact O-N 3.38Å; V406-N409 PolarHBondContact O-N 3.15Å; V406-A410 WeakPolarHBondContact O-CB 3.48Å; V406-A410 PolarHBondContact O-N 2.88Å |
| 407 | G | 83.6 | Confident | 81.8 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.7 | -39.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V392 D403 G405 L411 | V392-G407 WeakPolarHBondContact CG2-O 3.31Å; D403-G407 WeakPolarHBondContact OD2-CA 3.42Å; D403-G407 PolarHBondContact OD2-N 3.16Å; G405-G407 PolarHBondContact O-N 3.48Å; G407-L411 WeakPolarHBondContact O-CB 3.2Å; G407-L411 PolarHBondContact O-N 3.44Å |
| 408 | R | 86.3 | Confident | 82.3 | Confident | 111 Ų | 111 | 51.9 Ų | 51.9 | 42% | 0.419 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -71.2 | -41.8 | 178 | -170.3 | 176.8 | 179.6 | -173.5 | 0.2 | 112.2 | G405 V406 A410 L411 A412 | G405-R408 PolarHBondContact O-N 2.93Å; V406-R408 VanDerWaalsContact C-N 3.31Å; V406-R408 PolarHBondContact O-N 3.38Å; R408-A410 VanDerWaalsContact C-N 3.32Å; R408-L411 PolarHBondContact O-N 2.89Å; R408-A412 PolarHBondContact O-N 3.31Å |
| 409 | N | 83.9 | Confident | 83 | Confident | 82 Ų | 82 | 51.9 Ų | 51.9 | 44% | 0.439 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.4 | -38 | 176.2 | -67.6 | -19.7 | 0 | 0 | 0 | 110.9 | P381 G405 V406 A412 S413 | P381-N409 HydrophobicContact CG-CB 3.69Å; G405-N409 WeakPolarHBondContact O-CB 3.18Å; G405-N409 VanDerWaalsContact O-CG 3.25Å; G405-N409 PolarHBondContact O-N 3.05Å; G405-N409 PolarHBondContact O-ND2 3.4Å; V406-N409 PolarHBondContact O-N 3.15Å; N409-A412 PolarHBondContact O-N 2.98Å; N409-S413 VanDerWaalsContact O-CB 3.27Å; N409-S413 WeakPolarHBondContact O-CB 3.35Å; N409-S413 PolarHBondContact O-N 3.24Å |
| 410 | A | 86.6 | Confident | 83.9 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.1 | -41.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | P381 R388 Q391 V392 V406 R408 L414 | P381-A410 HydrophobicContact CB-CB 4.29Å; R388-A410 HydrophobicContact CB-CB 4.19Å; R388-A410 HydrophobicContact CG-CB 4.38Å; Q391-A410 HydrophobicContact CB-CB 4.08Å; V392-A410 HydrophobicContact CG2-CB 3.97Å; V406-A410 WeakPolarHBondContact O-CB 3.48Å; V406-A410 PolarHBondContact O-N 2.88Å; R408-A410 VanDerWaalsContact C-N 3.32Å; A410-L414 VanDerWaalsContact O-CB 3.24Å; A410-L414 WeakPolarHBondContact O-CB 3.48Å; A410-L414 PolarHBondContact O-N 3.21Å |
| 411 | L | 92.8 | Very high | 84.8 | Confident | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.016 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.7 | -48.3 | 174.7 | -175.3 | 58.4 | 0 | 0 | 0 | 112.1 | V392 G407 R408 S413 L414 L415 I440 C444 L472 | V392-L411 HydrophobicContact CG1-CD1 4.45Å; V392-L411 HydrophobicContact CG2-CB 3.83Å; V392-L411 HydrophobicContact CG2-CD1 4.39Å; G407-L411 WeakPolarHBondContact O-CB 3.2Å; G407-L411 PolarHBondContact O-N 3.44Å; R408-L411 PolarHBondContact O-N 2.89Å; L411-S413 VanDerWaalsContact C-N 3.31Å; L411-S413 PolarHBondContact O-N 3.33Å; L411-L414 HydrophobicContact CD1-CD2 4.32Å; L411-L414 WeakPolarHBondContact O-CB 3.43Å; L411-L414 PolarHBondContact O-N 2.98Å; L411-L414 VanDerWaalsContact O-N 3.17Å; L411-L415 HydrophobicContact CD1-CD1 4.32Å; L411-L415 HydrophobicContact CD1-CG 4.25Å; L411-L415 HydrophobicContact CG-CD1 4.18Å; L411-L415 HydrophobicContact CG-CG 4.48Å; L411-L415 VanDerWaalsContact O-CG 3.32Å; L411-L415 WeakPolarHBondContact O-CG 3.4Å; L411-L415 PolarHBondContact O-N 3.03Å; L411-I440 HydrophobicContact CD1-CG2 3.73Å; L411-I440 HydrophobicContact CD2-CG2 4.22Å; L411-I440 HydrophobicContact CG-CG2 4.36Å; L411-C444 HydrophobicContact CD2-CB 3.6Å; L411-L472 HydrophobicContact CD1-CD2 3.67Å |
| 412 | A | 90 | Very high | 85.9 | Confident | 55 Ų | 55 | 44 Ų | 44 | 46% | 0.455 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.2 | -43.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | R408 N409 L415 D416 | R408-A412 PolarHBondContact O-N 3.31Å; N409-A412 PolarHBondContact O-N 2.98Å; A412-L415 PolarHBondContact O-N 3.31Å; A412-D416 PolarHBondContact O-N 2.81Å |
| 413 | S | 86.8 | Confident | 87 | Confident | 35 Ų | 35 | 42.1 Ų | 42.1 | 25% | 0.245 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.8 | -34.1 | 176.8 | -170.4 | 0 | 0 | 0 | 0 | 112.8 | R388 N409 L411 E417 | R388-S413 PolarHBondContact NE-OG 2.74Å; R388-S413 PolarHBondContact NH1-O 3.25Å; R388-S413 PolarHBondContact NH1-OG 2.9Å; N409-S413 VanDerWaalsContact O-CB 3.27Å; N409-S413 WeakPolarHBondContact O-CB 3.35Å; N409-S413 PolarHBondContact O-N 3.24Å; L411-S413 VanDerWaalsContact C-N 3.31Å; L411-S413 PolarHBondContact O-N 3.33Å; S413-E417 PolarHBondContact O-N 3.11Å |
| 414 | L | 92.2 | Very high | 87.9 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.2 | -44.2 | 172.1 | 172.4 | 64.5 | 0 | 0 | 0 | 111.6 | V385 R388 I389 A410 L411 E417 A418 L472 L475 M479 | V385-L414 HydrophobicContact CB-CD1 4.22Å; V385-L414 HydrophobicContact CG1-CD1 3.58Å; V385-L414 HydrophobicContact CG2-CD1 4.14Å; R388-L414 HydrophobicContact CB-CB 4.42Å; I389-L414 HydrophobicContact CD1-CD1 4.46Å; I389-L414 HydrophobicContact CD1-CD2 4.45Å; I389-L414 HydrophobicContact CG1-CD1 4.24Å; I389-L414 HydrophobicContact CG1-CD2 3.67Å; A410-L414 VanDerWaalsContact O-CB 3.24Å; A410-L414 WeakPolarHBondContact O-CB 3.48Å; A410-L414 PolarHBondContact O-N 3.21Å; L411-L414 HydrophobicContact CD1-CD2 4.32Å; L411-L414 WeakPolarHBondContact O-CB 3.43Å; L411-L414 PolarHBondContact O-N 2.98Å; L411-L414 VanDerWaalsContact O-N 3.17Å; L414-E417 PolarHBondContact O-N 3.47Å; L414-A418 PolarHBondContact O-N 2.88Å; L414-L472 HydrophobicContact CD2-CD2 3.66Å; L414-L475 HydrophobicContact CG-CD2 4.44Å; L414-M479 HydrophobicContact CD1-CE 4.31Å; L414-M479 HydrophobicContact CD1-SD 4.17Å |
| 415 | L | 94.4 | Very high | 88.8 | Confident | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.7 | -39 | -179.2 | -67.6 | 179.4 | 0 | 0 | 0 | 112.2 | L411 A412 E417 A418 R419 C437 I440 D441 L475 | L411-L415 HydrophobicContact CD1-CD1 4.32Å; L411-L415 HydrophobicContact CD1-CG 4.25Å; L411-L415 HydrophobicContact CG-CD1 4.18Å; L411-L415 HydrophobicContact CG-CG 4.48Å; L411-L415 VanDerWaalsContact O-CG 3.32Å; L411-L415 WeakPolarHBondContact O-CG 3.4Å; L411-L415 PolarHBondContact O-N 3.03Å; A412-L415 PolarHBondContact O-N 3.31Å; L415-E417 VanDerWaalsContact C-N 3.33Å; L415-E417 PolarHBondContact O-N 3.02Å; L415-A418 PolarHBondContact O-N 3.46Å; L415-R419 VanDerWaalsContact O-CG 3.25Å; L415-R419 WeakPolarHBondContact O-CG 3.43Å; L415-R419 PolarHBondContact O-N 3.46Å; L415-C437 HydrophobicContact CD2-CB 3.95Å; L415-I440 HydrophobicContact CD1-CB 4.41Å; L415-I440 HydrophobicContact CD1-CG2 3.94Å; L415-I440 HydrophobicContact CD2-CB 4.17Å; L415-I440 HydrophobicContact CD2-CD1 4.21Å; L415-I440 HydrophobicContact CD2-CG2 3.95Å; L415-I440 HydrophobicContact CG-CG2 4.39Å; L415-D441 HydrophobicContact CD1-CB 4.41Å; L415-D441 WeakPolarHBondContact CD1-OD1 3.31Å; L415-L475 HydrophobicContact CD2-CD2 3.68Å |
| 416 | D | 89.7 | Confident | 89.4 | Confident | 80 Ų | 80 | 39.6 Ų | 39.6 | 43% | 0.428 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.5 | -44 | 172.4 | -173.8 | 57.5 | 0 | 0 | 0 | 111.4 | A412 R419 R420 | A412-D416 PolarHBondContact O-N 2.81Å; D416-R419 PolarHBondContact O-N 3.13Å; D416-R420 WeakPolarHBondContact O-CG 3.19Å; D416-R420 PolarHBondContact O-N 3.47Å; D416-R420 IonicContact OD2-CZ 3.27Å; D416-R420 VanDerWaalsContact OD2-CZ 3.23Å; D416-R420 IonicContact OD2-NH1 3.97Å; D416-R420 PolarHBondContact OD2-NH1 2.83Å; D416-R420 IonicContact OD2-NH2 2.91Å; D416-R420 PolarHBondContact OD2-NH2 2.97Å |
| 417 | E | 89 | Confident | 90 | Very high | 22 Ų | 22 | 44.2 Ų | 44.2 | 10% | 0.103 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.6 | -44.4 | 175.2 | -164 | 66.1 | -127.1 | 0 | 0 | 112.1 | V385 R388 S413 L414 L415 R419 R420 M421 M479 | V385-E417 HydrophobicContact CG2-CG 4.09Å; R388-E417 IonicContact NH1-OE2 3.98Å; S413-E417 PolarHBondContact O-N 3.11Å; L414-E417 PolarHBondContact O-N 3.47Å; L415-E417 VanDerWaalsContact C-N 3.33Å; L415-E417 PolarHBondContact O-N 3.02Å; E417-R419 VanDerWaalsContact C-N 3.33Å; E417-R419 PolarHBondContact O-N 2.63Å; E417-R420 WeakPolarHBondContact O-CB 3.47Å; E417-R420 PolarHBondContact O-N 3.45Å; E417-R420 IonicContact OE1-NE 3.81Å; E417-R420 IonicContact OE2-CZ 3.38Å; E417-R420 IonicContact OE2-NE 3.57Å; E417-R420 IonicContact OE2-NH2 2.75Å; E417-R420 PolarHBondContact OE2-NH2 3.07Å; E417-M421 WeakPolarHBondContact O-CG 3.45Å; E417-M421 PolarHBondContact O-N 3.46Å; E417-M479 HydrophobicContact CG-CE 4.36Å |
| 418 | A | 94.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.2 | -39.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | L414 L415 M421 A422 I433 L475 M479 | L414-A418 PolarHBondContact O-N 2.88Å; L415-A418 PolarHBondContact O-N 3.46Å; A418-M421 PolarHBondContact O-N 3.3Å; A418-A422 WeakPolarHBondContact O-CB 3.43Å; A418-A422 PolarHBondContact O-N 2.99Å; A418-I433 HydrophobicContact CB-CG2 4.41Å; A418-L475 HydrophobicContact CB-CD1 3.93Å; A418-L475 HydrophobicContact CB-CD2 4.09Å; A418-L475 HydrophobicContact CB-CG 4.28Å; A418-M479 HydrophobicContact CB-CE 4.1Å; A418-M479 HydrophobicContact CB-CG 4.17Å; A418-M479 HydrophobicContact CB-SD 3.71Å |
| 419 | R | 95 | Very high | 90.6 | Very high | 64 Ų | 64 | 49.9 Ų | 49.9 | 24% | 0.242 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.2 | -40.3 | 175.4 | -68.4 | 176.8 | -167.1 | -83.9 | 7.2 | 111.4 | L415 D416 E417 A422 D423 N434 C437 D438 D441 | L415-R419 VanDerWaalsContact O-CG 3.25Å; L415-R419 WeakPolarHBondContact O-CG 3.43Å; L415-R419 PolarHBondContact O-N 3.46Å; D416-R419 PolarHBondContact O-N 3.13Å; E417-R419 VanDerWaalsContact C-N 3.33Å; E417-R419 PolarHBondContact O-N 2.63Å; R419-A422 WeakPolarHBondContact O-CB 3.27Å; R419-A422 PolarHBondContact O-N 3.25Å; R419-D423 PolarHBondContact O-N 3.23Å; R419-N434 WeakPolarHBondContact CG-OD1 3.48Å; R419-C437 HydrophobicContact CG-CB 4.3Å; R419-C437 VanDerWaalsContact CZ-CB 3.46Å; R419-D438 IonicContact CZ-OD1 3.85Å; R419-D438 VanDerWaalsContact CZ-OD1 3.22Å; R419-D438 IonicContact NH1-OD1 2.76Å; R419-D438 PolarHBondContact NH1-OD1 3.41Å; R419-D438 IonicContact NH2-OD1 2.97Å; R419-D438 PolarHBondContact NH2-OD1 2.98Å; R419-D441 IonicContact CZ-OD2 3.3Å; R419-D441 IonicContact NH2-OD2 2.81Å; R419-D441 PolarHBondContact NH2-OD2 3.36Å |
| 420 | R | 90.3 | Very high | 91.1 | Very high | 117 Ų | 117 | 49.6 Ų | 49.6 | 44% | 0.442 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 171.6 | -75 | -163.9 | -72.8 | -106.8 | -2.4 | 112.3 | D416 E417 A422 D423 | D416-R420 WeakPolarHBondContact O-CG 3.19Å; D416-R420 PolarHBondContact O-N 3.47Å; D416-R420 IonicContact OD2-CZ 3.27Å; D416-R420 VanDerWaalsContact OD2-CZ 3.23Å; D416-R420 IonicContact OD2-NH1 3.97Å; D416-R420 PolarHBondContact OD2-NH1 2.83Å; D416-R420 IonicContact OD2-NH2 2.91Å; D416-R420 PolarHBondContact OD2-NH2 2.97Å; E417-R420 WeakPolarHBondContact O-CB 3.47Å; E417-R420 PolarHBondContact O-N 3.45Å; E417-R420 IonicContact OE1-NE 3.81Å; E417-R420 IonicContact OE2-CZ 3.38Å; E417-R420 IonicContact OE2-NE 3.57Å; E417-R420 IonicContact OE2-NH2 2.75Å; E417-R420 PolarHBondContact OE2-NH2 3.07Å; R420-A422 VanDerWaalsContact C-N 3.28Å; R420-A422 PolarHBondContact O-N 3.18Å; R420-D423 WeakPolarHBondContact O-CB 3.37Å; R420-D423 PolarHBondContact O-N 2.95Å |
| 421 | M | 91.9 | Very high | 91.5 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.7 | -34.4 | 176.5 | -71.6 | -177.9 | 68.7 | 0 | 0 | 112 | E417 A418 D423 L424 C425 M479 V482 L483 L538 A542 | E417-M421 WeakPolarHBondContact O-CG 3.45Å; E417-M421 PolarHBondContact O-N 3.46Å; A418-M421 PolarHBondContact O-N 3.3Å; M421-D423 PolarHBondContact O-N 3.48Å; M421-L424 WeakPolarHBondContact O-CB 3.32Å; M421-L424 PolarHBondContact O-N 3.13Å; M421-C425 PolarHBondContact O-SG 3.46Å; M421-M479 HydrophobicContact CE-CB 4.16Å; M421-M479 VanDerWaalsContact CE-O 3.24Å; M421-M479 WeakPolarHBondContact CE-O 3.1Å; M421-M479 HydrophobicContact SD-CB 4.26Å; M421-M479 HydrophobicContact SD-CE 3.52Å; M421-M479 VanDerWaalsContact SD-CE 3.52Å; M421-M479 HydrophobicContact SD-CG 4.33Å; M421-V482 HydrophobicContact CB-CG1 4.38Å; M421-V482 HydrophobicContact CE-CB 4.3Å; M421-V482 HydrophobicContact CE-CG1 4.22Å; M421-L483 HydrophobicContact CE-CB 3.89Å; M421-L538 HydrophobicContact CG-CD2 4.3Å; M421-A542 HydrophobicContact CE-CB 4.4Å; M421-A542 HydrophobicContact SD-CB 3.78Å |
| 422 | A | 93.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.3 | -28.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | A418 R419 R420 L424 C425 K430 I433 | A418-A422 WeakPolarHBondContact O-CB 3.43Å; A418-A422 PolarHBondContact O-N 2.99Å; R419-A422 WeakPolarHBondContact O-CB 3.27Å; R419-A422 PolarHBondContact O-N 3.25Å; R420-A422 VanDerWaalsContact C-N 3.28Å; R420-A422 PolarHBondContact O-N 3.18Å; A422-L424 PolarHBondContact O-N 3.24Å; A422-C425 WeakPolarHBondContact O-CB 3.41Å; A422-C425 PolarHBondContact O-N 3.21Å; A422-C425 VanDerWaalsContact O-N 3.1Å; A422-K430 HydrophobicContact CB-CG 4.1Å; A422-K430 VanDerWaalsContact O-CB 3.3Å; A422-K430 WeakPolarHBondContact O-CB 3.38Å; A422-K430 WeakPolarHBondContact O-CG 3.5Å; A422-I433 HydrophobicContact CB-CB 3.94Å; A422-I433 HydrophobicContact CB-CD1 4.19Å; A422-I433 HydrophobicContact CB-CG2 3.84Å |
| 423 | D | 92 | Very high | 91.9 | Very high | 98 Ų | 98 | 56.2 Ų | 56.2 | 52% | 0.524 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -20 | 175.4 | -69.6 | -31.4 | 0 | 0 | 0 | 113.6 | R419 R420 M421 C425 K430 | R419-D423 PolarHBondContact O-N 3.23Å; R420-D423 WeakPolarHBondContact O-CB 3.37Å; R420-D423 PolarHBondContact O-N 2.95Å; M421-D423 PolarHBondContact O-N 3.48Å; D423-C425 VanDerWaalsContact C-N 3.31Å; D423-K430 WeakPolarHBondContact OD1-CE 3.15Å; D423-K430 IonicContact OD1-NZ 2.7Å; D423-K430 PolarHBondContact OD1-NZ 3.39Å |
| 424 | L | 88.9 | Confident | 92.4 | Very high | 48 Ų | 48 | 56.3 Ų | 56.3 | 25% | 0.251 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -10.3 | 176.4 | -54.5 | 177.9 | 0 | 0 | 0 | 112.7 | M421 A422 R486 L538 | M421-L424 WeakPolarHBondContact O-CB 3.32Å; M421-L424 PolarHBondContact O-N 3.13Å; A422-L424 PolarHBondContact O-N 3.24Å; L424-R486 HydrophobicContact CD1-CG 4.24Å; L424-R486 PolarHBondContact O-NH1 2.7Å; L424-L538 HydrophobicContact CD1-CD1 3.67Å |
| 425 | C | 88.7 | Confident | 92.6 | Very high | 17 Ų | 17 | 60 Ų | 60 | 12% | 0.115 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -93.5 | 159.3 | -172.4 | -53.6 | 0 | 0 | 0 | 0 | 112.4 | M421 A422 D423 E429 K430 V482 | M421-C425 PolarHBondContact O-SG 3.46Å; A422-C425 WeakPolarHBondContact O-CB 3.41Å; A422-C425 PolarHBondContact O-N 3.21Å; A422-C425 VanDerWaalsContact O-N 3.1Å; D423-C425 VanDerWaalsContact C-N 3.31Å; C425-E429 HydrophobicContact CB-CB 3.97Å; C425-K430 HydrophobicContact CB-CB 4.43Å; C425-V482 WeakPolarHBondContact SG-CG1 3.44Å; C425-V482 WeakPolarHBondContact SG-CG2 3.31Å |
| 426 | P | 88.6 | Confident | 92.7 | Very high | 77 Ų | 77 | 60.4 Ų | 60.4 | 50% | 0.5 | 30% | 0.298 | S | S | . | . | trans | -56 | 151.3 | 164.6 | -22.5 | 33.6 | 0 | 0 | 0 | 111.7 | K428 E429 K430 | P426-K428 PolarHBondContact O-N 2.87Å; P426-E429 PolarHBondContact O-N 2.97Å; P426-K430 PolarHBondContact O-N 3.39Å | ||
| 427 | P | 91.6 | Very high | 93.1 | Very high | 113 Ų | 113 | 56.6 Ų | 56.6 | 73% | 0.734 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -52.2 | -35.7 | -172.3 | -30 | 34.9 | 0 | 0 | 0 | 115.5 | Y431 | P427-Y431 PolarHBondContact O-N 2.98Å |
| 428 | K | 91.8 | Very high | 93.4 | Very high | 182 Ų | 182 | 58.9 Ų | 58.9 | 79% | 0.791 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -66.3 | -43.2 | 179.6 | -174.7 | -177.9 | 177.5 | -174.6 | 0 | 112.5 | P426 A432 | P426-K428 PolarHBondContact O-N 2.87Å; K428-A432 PolarHBondContact O-N 2.85Å |
| 429 | E | 90.6 | Very high | 93.6 | Very high | 48 Ų | 48 | 61.3 Ų | 61.3 | 22% | 0.224 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -75.8 | -38 | -179.9 | -63.1 | -169 | 151.3 | 0 | 0 | 111 | C425 P426 Y431 A432 I433 R481 | C425-E429 HydrophobicContact CB-CB 3.97Å; P426-E429 PolarHBondContact O-N 2.97Å; E429-Y431 VanDerWaalsContact C-N 3.27Å; E429-Y431 PolarHBondContact O-N 3.15Å; E429-A432 PolarHBondContact O-N 2.77Å; E429-A432 VanDerWaalsContact O-N 3.12Å; E429-I433 WeakPolarHBondContact O-CG1 3.2Å; E429-I433 PolarHBondContact O-N 3.46Å; E429-R481 IonicContact OE1-CZ 3.07Å; E429-R481 IonicContact OE1-NH1 3.22Å; E429-R481 PolarHBondContact OE1-NH1 3.34Å; E429-R481 IonicContact OE1-NH2 3.97Å; E429-R481 PolarHBondContact OE1-NH2 3.06Å; E429-R481 IonicContact OE2-NH2 2.62Å |
| 430 | K | 94.4 | Very high | 93.7 | Very high | 75 Ų | 75 | 58.3 Ų | 58.3 | 33% | 0.326 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -53.3 | -46.2 | 170.5 | 177.7 | 171.7 | 173.2 | 168.3 | 0 | 111.6 | A422 D423 C425 P426 N434 | A422-K430 HydrophobicContact CB-CG 4.1Å; A422-K430 VanDerWaalsContact O-CB 3.3Å; A422-K430 WeakPolarHBondContact O-CB 3.38Å; A422-K430 WeakPolarHBondContact O-CG 3.5Å; D423-K430 WeakPolarHBondContact OD1-CE 3.15Å; D423-K430 IonicContact OD1-NZ 2.7Å; D423-K430 PolarHBondContact OD1-NZ 3.39Å; C425-K430 HydrophobicContact CB-CB 4.43Å; P426-K430 PolarHBondContact O-N 3.39Å; K430-N434 WeakPolarHBondContact O-CB 3.38Å; K430-N434 PolarHBondContact O-N 2.78Å; K430-N434 PolarHBondContact O-ND2 3.18Å |
| 431 | Y | 95.8 | Very high | 93.9 | Very high | 157 Ų | 157 | 55.3 Ų | 55.3 | 62% | 0.616 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -61.8 | -44.4 | 176.8 | -178.4 | -95.8 | 0 | 0 | 0 | 112.2 | P427 E429 N434 Q435 | P427-Y431 PolarHBondContact O-N 2.98Å; E429-Y431 VanDerWaalsContact C-N 3.27Å; E429-Y431 PolarHBondContact O-N 3.15Å; Y431-N434 PolarHBondContact O-N 2.87Å; Y431-Q435 WeakPolarHBondContact O-CB 3.35Å; Y431-Q435 PolarHBondContact O-N 3.37Å |
| 432 | A | 95.6 | Very high | 94.1 | Very high | 40 Ų | 40 | 61.5 Ų | 61.5 | 33% | 0.331 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K428 E429 L436 | K428-A432 PolarHBondContact O-N 2.85Å; E429-A432 PolarHBondContact O-N 2.77Å; E429-A432 VanDerWaalsContact O-N 3.12Å; A432-L436 PolarHBondContact O-N 3.36Å |
| 433 | I | 95.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.2 | -46.3 | 177.1 | -65.2 | 169.4 | 0 | 0 | 0 | 110.4 | A418 A422 E429 Q435 L436 C437 L475 M478 V482 | A418-I433 HydrophobicContact CB-CG2 4.41Å; A422-I433 HydrophobicContact CB-CB 3.94Å; A422-I433 HydrophobicContact CB-CD1 4.19Å; A422-I433 HydrophobicContact CB-CG2 3.84Å; E429-I433 WeakPolarHBondContact O-CG1 3.2Å; E429-I433 PolarHBondContact O-N 3.46Å; I433-Q435 PolarHBondContact O-N 3.18Å; I433-L436 PolarHBondContact O-N 3.16Å; I433-C437 PolarHBondContact O-N 3.33Å; I433-C437 PolarHBondContact O-SG 3.25Å; I433-L475 HydrophobicContact CG2-CD1 4.15Å; I433-M478 HydrophobicContact CG1-CB 4.24Å; I433-M478 HydrophobicContact CG1-SD 4.07Å; I433-V482 HydrophobicContact CD1-CG2 3.74Å |
| 434 | N | 96.5 | Very high | 94.2 | Very high | 36 Ų | 36 | 57.9 Ų | 57.9 | 19% | 0.193 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62 | -42.4 | 178.6 | -76.6 | -37.8 | 0 | 0 | 0 | 112.2 | R419 K430 Y431 L436 C437 D438 | R419-N434 WeakPolarHBondContact CG-OD1 3.48Å; K430-N434 WeakPolarHBondContact O-CB 3.38Å; K430-N434 PolarHBondContact O-N 2.78Å; K430-N434 PolarHBondContact O-ND2 3.18Å; Y431-N434 PolarHBondContact O-N 2.87Å; N434-L436 VanDerWaalsContact C-N 3.32Å; N434-L436 PolarHBondContact O-N 3.12Å; N434-C437 WeakPolarHBondContact O-CB 3.37Å; N434-C437 PolarHBondContact O-N 3.15Å; N434-D438 PolarHBondContact O-N 3.15Å |
| 435 | Q | 96.7 | Very high | 94.3 | Very high | 81 Ų | 81 | 60.9 Ų | 60.9 | 38% | 0.379 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.6 | -42.7 | 175.5 | -176.7 | -177.8 | -0.8 | 0 | 0 | 111.5 | Y431 I433 D438 E439 | Y431-Q435 WeakPolarHBondContact O-CB 3.35Å; Y431-Q435 PolarHBondContact O-N 3.37Å; I433-Q435 PolarHBondContact O-N 3.18Å; Q435-D438 PolarHBondContact O-N 2.88Å; Q435-E439 WeakPolarHBondContact O-CG 3.34Å; Q435-E439 PolarHBondContact O-N 3.4Å |
| 436 | L | 97.1 | Very high | 94.5 | Very high | 10 Ų | 10 | 65.4 Ų | 65.4 | 5% | 0.052 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65 | -40.8 | 176.5 | -178.4 | 61.2 | 0 | 0 | 0 | 111.7 | A432 I433 N434 D438 E439 I440 K471 D474 L475 M478 | A432-L436 PolarHBondContact O-N 3.36Å; I433-L436 PolarHBondContact O-N 3.16Å; N434-L436 VanDerWaalsContact C-N 3.32Å; N434-L436 PolarHBondContact O-N 3.12Å; L436-D438 VanDerWaalsContact C-N 3.33Å; L436-D438 PolarHBondContact O-N 3.13Å; L436-E439 WeakPolarHBondContact O-CB 3.45Å; L436-E439 PolarHBondContact O-N 2.9Å; L436-I440 HydrophobicContact CD1-CD1 4.3Å; L436-I440 HydrophobicContact CD1-CG1 4.39Å; L436-I440 HydrophobicContact CG-CD1 3.96Å; L436-I440 HydrophobicContact CG-CG1 4.48Å; L436-I440 VanDerWaalsContact O-CG1 3.31Å; L436-I440 WeakPolarHBondContact O-CG1 3.47Å; L436-I440 PolarHBondContact O-N 3.3Å; L436-K471 HydrophobicContact CD1-CB 4.03Å; L436-K471 HydrophobicContact CD1-CD 3.34Å; L436-K471 HydrophobicContact CD1-CG 4.27Å; L436-D474 HydrophobicContact CD2-CB 3.95Å; L436-L475 HydrophobicContact CD2-CB 3.7Å; L436-L475 HydrophobicContact CD2-CD1 4.01Å; L436-L475 HydrophobicContact CD2-CG 4.49Å; L436-L475 HydrophobicContact CG-CB 4.44Å; L436-L475 HydrophobicContact CG-CD1 4.38Å; L436-M478 HydrophobicContact CB-CE 4.25Å; L436-M478 HydrophobicContact CD2-CE 3.16Å; L436-M478 HydrophobicContact CG-CE 4.28Å |
| 437 | C | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.8 | -45.4 | 174.2 | -64.5 | 0 | 0 | 0 | 0 | 111 | L415 R419 I433 N434 E439 I440 D441 | L415-C437 HydrophobicContact CD2-CB 3.95Å; R419-C437 HydrophobicContact CG-CB 4.3Å; R419-C437 VanDerWaalsContact CZ-CB 3.46Å; I433-C437 PolarHBondContact O-N 3.33Å; I433-C437 PolarHBondContact O-SG 3.25Å; N434-C437 WeakPolarHBondContact O-CB 3.37Å; N434-C437 PolarHBondContact O-N 3.15Å; C437-E439 VanDerWaalsContact C-N 3.29Å; C437-E439 PolarHBondContact O-N 3.34Å; C437-I440 PolarHBondContact O-N 3.01Å; C437-D441 PolarHBondContact O-N 2.9Å |
| 438 | D | 97 | Very high | 94.3 | Very high | 71 Ų | 71 | 56.9 Ų | 56.9 | 38% | 0.38 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.8 | -31.1 | 177.2 | -60.7 | -18.4 | 0 | 0 | 0 | 112.6 | R419 N434 Q435 L436 R442 | R419-D438 IonicContact CZ-OD1 3.85Å; R419-D438 VanDerWaalsContact CZ-OD1 3.22Å; R419-D438 IonicContact NH1-OD1 2.76Å; R419-D438 PolarHBondContact NH1-OD1 3.41Å; R419-D438 IonicContact NH2-OD1 2.97Å; R419-D438 PolarHBondContact NH2-OD1 2.98Å; N434-D438 PolarHBondContact O-N 3.15Å; Q435-D438 PolarHBondContact O-N 2.88Å; L436-D438 VanDerWaalsContact C-N 3.33Å; L436-D438 PolarHBondContact O-N 3.13Å; D438-R442 WeakPolarHBondContact O-CB 3.18Å; D438-R442 VanDerWaalsContact O-CG 3.24Å; D438-R442 WeakPolarHBondContact O-CG 2.89Å; D438-R442 PolarHBondContact O-N 3Å; D438-R442 PolarHBondContact O-NE 3.19Å |
| 439 | E | 96.8 | Very high | 94.2 | Very high | 51 Ų | 51 | 51.5 Ų | 51.5 | 24% | 0.238 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.6 | -42.5 | 172.3 | -74 | 175.8 | -162.1 | 0 | 0 | 112 | Q435 L436 C437 R442 L443 K471 | Q435-E439 WeakPolarHBondContact O-CG 3.34Å; Q435-E439 PolarHBondContact O-N 3.4Å; L436-E439 WeakPolarHBondContact O-CB 3.45Å; L436-E439 PolarHBondContact O-N 2.9Å; C437-E439 VanDerWaalsContact C-N 3.29Å; C437-E439 PolarHBondContact O-N 3.34Å; E439-R442 VanDerWaalsContact CG-NH2 3.32Å; E439-R442 PolarHBondContact O-N 2.89Å; E439-L443 WeakPolarHBondContact O-CG 3.36Å; E439-L443 PolarHBondContact O-N 2.98Å; E439-K471 WeakPolarHBondContact OE2-CE 3.49Å; E439-K471 IonicContact OE2-NZ 2.6Å; E439-K471 PolarHBondContact OE2-NZ 2.97Å |
| 440 | I | 97 | Very high | 94.1 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.3 | -45.3 | 177.4 | -68.6 | 168.2 | 0 | 0 | 0 | 110.6 | L411 L415 L436 C437 R442 L443 C444 L468 K471 L472 L475 | L411-I440 HydrophobicContact CD1-CG2 3.73Å; L411-I440 HydrophobicContact CD2-CG2 4.22Å; L411-I440 HydrophobicContact CG-CG2 4.36Å; L415-I440 HydrophobicContact CD1-CB 4.41Å; L415-I440 HydrophobicContact CD1-CG2 3.94Å; L415-I440 HydrophobicContact CD2-CB 4.17Å; L415-I440 HydrophobicContact CD2-CD1 4.21Å; L415-I440 HydrophobicContact CD2-CG2 3.95Å; L415-I440 HydrophobicContact CG-CG2 4.39Å; L436-I440 HydrophobicContact CD1-CD1 4.3Å; L436-I440 HydrophobicContact CD1-CG1 4.39Å; L436-I440 HydrophobicContact CG-CD1 3.96Å; L436-I440 HydrophobicContact CG-CG1 4.48Å; L436-I440 VanDerWaalsContact O-CG1 3.31Å; L436-I440 WeakPolarHBondContact O-CG1 3.47Å; L436-I440 PolarHBondContact O-N 3.3Å; C437-I440 PolarHBondContact O-N 3.01Å; I440-R442 PolarHBondContact O-N 3.35Å; I440-L443 PolarHBondContact O-N 2.69Å; I440-C444 WeakPolarHBondContact O-CB 3.26Å; I440-C444 PolarHBondContact O-N 3.29Å; I440-L468 HydrophobicContact CB-CD1 4.29Å; I440-L468 HydrophobicContact CG2-CD1 3.61Å; I440-K471 HydrophobicContact CD1-CB 4.2Å; I440-K471 HydrophobicContact CG1-CB 3.72Å; I440-L472 HydrophobicContact CD1-CD2 4.46Å; I440-L472 HydrophobicContact CG2-CD2 4.34Å; I440-L475 HydrophobicContact CD1-CB 3.92Å; I440-L475 HydrophobicContact CD1-CD2 3.75Å; I440-L475 HydrophobicContact CD1-CG 4.33Å |
| 441 | D | 95.1 | Very high | 93.6 | Very high | 55 Ų | 55 | 49.2 Ų | 49.2 | 29% | 0.294 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -56.1 | -49.1 | 174.7 | -85.5 | -40.7 | 0 | 0 | 0 | 110.9 | L415 R419 C437 L443 C444 E445 | L415-D441 HydrophobicContact CD1-CB 4.41Å; L415-D441 WeakPolarHBondContact CD1-OD1 3.31Å; R419-D441 IonicContact CZ-OD2 3.3Å; R419-D441 IonicContact NH2-OD2 2.81Å; R419-D441 PolarHBondContact NH2-OD2 3.36Å; C437-D441 PolarHBondContact O-N 2.9Å; D441-L443 PolarHBondContact O-N 2.85Å; D441-C444 WeakPolarHBondContact O-CB 3.42Å; D441-C444 PolarHBondContact O-N 3.22Å; D441-E445 WeakPolarHBondContact O-CG 3.47Å; D441-E445 PolarHBondContact O-N 3.46Å |
| 442 | R | 95.8 | Very high | 93 | Very high | 132 Ų | 132 | 49.9 Ų | 49.9 | 50% | 0.498 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.7 | -41.9 | 177.9 | -77.8 | 180 | -73.5 | 176.3 | -2.5 | 113 | D438 E439 I440 E445 Q446 | D438-R442 WeakPolarHBondContact O-CB 3.18Å; D438-R442 VanDerWaalsContact O-CG 3.24Å; D438-R442 WeakPolarHBondContact O-CG 2.89Å; D438-R442 PolarHBondContact O-N 3Å; D438-R442 PolarHBondContact O-NE 3.19Å; E439-R442 VanDerWaalsContact CG-NH2 3.32Å; E439-R442 PolarHBondContact O-N 2.89Å; I440-R442 PolarHBondContact O-N 3.35Å; R442-E445 PolarHBondContact O-N 2.85Å; R442-Q446 VanDerWaalsContact O-CG 3.29Å; R442-Q446 WeakPolarHBondContact O-CG 3.43Å; R442-Q446 PolarHBondContact O-N 3.39Å |
| 443 | L | 94.6 | Very high | 92.6 | Very high | 15 Ų | 15 | 55.3 Ų | 55.3 | 8% | 0.079 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.8 | -37.8 | 176.3 | -75.2 | 171.8 | 0 | 0 | 0 | 111.8 | E439 I440 D441 Q446 L447 Q467 L468 K471 | E439-L443 WeakPolarHBondContact O-CG 3.36Å; E439-L443 PolarHBondContact O-N 2.98Å; I440-L443 PolarHBondContact O-N 2.69Å; D441-L443 PolarHBondContact O-N 2.85Å; L443-Q446 PolarHBondContact O-N 3.16Å; L443-L447 WeakPolarHBondContact O-CB 3.42Å; L443-L447 PolarHBondContact O-N 3.14Å; L443-Q467 HydrophobicContact CD1-CB 3.91Å; L443-Q467 HydrophobicContact CD2-CB 4.34Å; L443-L468 HydrophobicContact CB-CD1 3.94Å; L443-K471 HydrophobicContact CD1-CG 4.23Å |
| 444 | C | 92.8 | Very high | 91.8 | Very high | 7 Ų | 7 | 58.7 Ų | 58.7 | 5% | 0.047 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.9 | -44.1 | 175 | -178.2 | 0 | 0 | 0 | 0 | 111.8 | L411 I440 D441 L447 T448 | L411-C444 HydrophobicContact CD2-CB 3.6Å; I440-C444 WeakPolarHBondContact O-CB 3.26Å; I440-C444 PolarHBondContact O-N 3.29Å; D441-C444 WeakPolarHBondContact O-CB 3.42Å; D441-C444 PolarHBondContact O-N 3.22Å; C444-L447 PolarHBondContact O-N 3.28Å; C444-T448 WeakPolarHBondContact O-CB 3.09Å; C444-T448 PolarHBondContact O-N 2.93Å; C444-T448 PolarHBondContact O-OG1 3.36Å |
| 445 | E | 92.5 | Very high | 91.2 | Very high | 111 Ų | 111 | 61.1 Ų | 61.1 | 52% | 0.519 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61 | -45.6 | 175.5 | -73.2 | -178.6 | 165 | 0 | 0 | 111.3 | D441 R442 L447 T448 D449 | D441-E445 WeakPolarHBondContact O-CG 3.47Å; D441-E445 PolarHBondContact O-N 3.46Å; R442-E445 PolarHBondContact O-N 2.85Å; E445-L447 PolarHBondContact O-N 3.27Å; E445-T448 PolarHBondContact O-N 2.66Å; E445-D449 WeakPolarHBondContact O-CB 3.47Å; E445-D449 PolarHBondContact O-N 2.87Å |
| 446 | Q | 92.1 | Very high | 90.1 | Very high | 111 Ų | 111 | 57.8 Ų | 57.8 | 52% | 0.519 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.4 | -45.7 | 174.9 | -74.4 | 176.7 | 9.3 | 0 | 0 | 112.2 | R442 L443 D449 L450 | R442-Q446 VanDerWaalsContact O-CG 3.29Å; R442-Q446 WeakPolarHBondContact O-CG 3.43Å; R442-Q446 PolarHBondContact O-N 3.39Å; L443-Q446 PolarHBondContact O-N 3.16Å; Q446-D449 PolarHBondContact O-N 3.01Å; Q446-L450 WeakPolarHBondContact O-CB 3.35Å; Q446-L450 VanDerWaalsContact O-CG 3.29Å; Q446-L450 WeakPolarHBondContact O-CG 3.41Å; Q446-L450 PolarHBondContact O-N 3.19Å |
| 447 | L | 90.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 177.2 | -179.2 | 61.1 | 0 | 0 | 0 | 111.5 | W395 L396 L443 C444 E445 D449 L450 Q451 A461 I465 L468 | W395-L447 HydrophobicContact CH2-CD2 4.08Å; W395-L447 HydrophobicContact CZ2-CD2 4.35Å; L396-L447 HydrophobicContact CD2-CD2 3.49Å; L396-L447 VanDerWaalsContact CD2-CD2 3.49Å; L443-L447 WeakPolarHBondContact O-CB 3.42Å; L443-L447 PolarHBondContact O-N 3.14Å; C444-L447 PolarHBondContact O-N 3.28Å; E445-L447 PolarHBondContact O-N 3.27Å; L447-D449 VanDerWaalsContact C-N 3.32Å; L447-D449 PolarHBondContact O-N 2.74Å; L447-L450 PolarHBondContact O-N 3.09Å; L447-Q451 HydrophobicContact CD1-CG 4.47Å; L447-Q451 WeakPolarHBondContact O-CB 3.36Å; L447-Q451 WeakPolarHBondContact O-CG 3.47Å; L447-Q451 PolarHBondContact O-N 2.91Å; L447-A461 HydrophobicContact CD1-CB 4Å; L447-I465 HydrophobicContact CD1-CD1 4.11Å; L447-I465 HydrophobicContact CD1-CG1 3.84Å; L447-I465 HydrophobicContact CD2-CG1 3.78Å; L447-I465 HydrophobicContact CG-CG1 4.49Å; L447-L468 HydrophobicContact CD2-CD2 4.48Å |
| 448 | T | 86.5 | Confident | 88.7 | Confident | 12 Ų | 12 | 61.5 Ų | 61.5 | 7% | 0.074 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.9 | -39.5 | 179.2 | -52.7 | 0 | 0 | 0 | 0 | 111.1 | C444 E445 Q451 R452 | C444-T448 WeakPolarHBondContact O-CB 3.09Å; C444-T448 PolarHBondContact O-N 2.93Å; C444-T448 PolarHBondContact O-OG1 3.36Å; E445-T448 PolarHBondContact O-N 2.66Å; T448-Q451 PolarHBondContact O-N 2.9Å; T448-R452 WeakPolarHBondContact O-CB 3.45Å; T448-R452 PolarHBondContact O-N 3.49Å |
| 449 | D | 88.7 | Confident | 88.4 | Confident | 68 Ų | 68 | 63.4 Ų | 63.4 | 36% | 0.364 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68.9 | -38.1 | 176.6 | -77.7 | -3.8 | 0 | 0 | 0 | 111.8 | E445 Q446 L447 R452 K453 | E445-D449 WeakPolarHBondContact O-CB 3.47Å; E445-D449 PolarHBondContact O-N 2.87Å; Q446-D449 PolarHBondContact O-N 3.01Å; L447-D449 VanDerWaalsContact C-N 3.32Å; L447-D449 PolarHBondContact O-N 2.74Å; D449-R452 PolarHBondContact O-N 2.82Å; D449-R452 IonicContact OD1-CZ 2.7Å; D449-R452 IonicContact OD1-NH1 3.38Å; D449-R452 PolarHBondContact OD1-NH1 3.49Å; D449-R452 IonicContact OD1-NH2 2.79Å; D449-R452 PolarHBondContact OD1-NH2 2.92Å; D449-K453 WeakPolarHBondContact O-CB 3.45Å; D449-K453 VanDerWaalsContact O-CG 3.28Å; D449-K453 WeakPolarHBondContact O-CG 3.36Å; D449-K453 PolarHBondContact O-N 2.86Å; D449-K453 VanDerWaalsContact O-N 3.07Å |
| 450 | L | 88 | Confident | 88 | Confident | 27 Ų | 27 | 66.9 Ų | 66.9 | 14% | 0.141 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 172.4 | -73.5 | 169.6 | 0 | 0 | 0 | 111.4 | Q446 L447 K453 G454 M455 G456 Q460 A461 | Q446-L450 WeakPolarHBondContact O-CB 3.35Å; Q446-L450 VanDerWaalsContact O-CG 3.29Å; Q446-L450 WeakPolarHBondContact O-CG 3.41Å; Q446-L450 PolarHBondContact O-N 3.19Å; L447-L450 PolarHBondContact O-N 3.09Å; L450-K453 PolarHBondContact O-N 3.48Å; L450-G454 PolarHBondContact O-N 3.27Å; L450-M455 HydrophobicContact CD2-CB 4.2Å; L450-M455 CarbonylContact O-C 3.04Å; L450-M455 WeakPolarHBondContact O-CA 3.36Å; L450-M455 PolarHBondContact O-N 3.15Å; L450-G456 PolarHBondContact O-N 3.43Å; L450-Q460 HydrophobicContact CD1-CB 4.18Å; L450-A461 HydrophobicContact CB-CB 4.44Å; L450-A461 HydrophobicContact CD1-CB 4.05Å |
| 451 | Q | 84.7 | Confident | 87.6 | Confident | 49 Ų | 49 | 66.9 Ų | 66.9 | 23% | 0.229 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.8 | -45.7 | 175.2 | -75 | 171.7 | -30.3 | 0 | 0 | 111.6 | L447 T448 K453 G454 | L447-Q451 HydrophobicContact CD1-CG 4.47Å; L447-Q451 WeakPolarHBondContact O-CB 3.36Å; L447-Q451 WeakPolarHBondContact O-CG 3.47Å; L447-Q451 PolarHBondContact O-N 2.91Å; T448-Q451 PolarHBondContact O-N 2.9Å; Q451-K453 PolarHBondContact O-N 3.44Å; Q451-G454 PolarHBondContact O-N 2.95Å |
| 452 | R | 83.6 | Confident | 87.4 | Confident | 170 Ų | 170 | 71.2 Ų | 71.2 | 64% | 0.642 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -60.7 | -30.8 | 175.6 | -84.8 | -173.6 | -97 | 144.7 | 6.8 | 113.1 | T448 D449 G454 | T448-R452 WeakPolarHBondContact O-CB 3.45Å; T448-R452 PolarHBondContact O-N 3.49Å; D449-R452 PolarHBondContact O-N 2.82Å; D449-R452 IonicContact OD1-CZ 2.7Å; D449-R452 IonicContact OD1-NH1 3.38Å; D449-R452 PolarHBondContact OD1-NH1 3.49Å; D449-R452 IonicContact OD1-NH2 2.79Å; D449-R452 PolarHBondContact OD1-NH2 2.92Å; R452-G454 VanDerWaalsContact C-N 3.26Å; R452-G454 PolarHBondContact O-N 3.16Å |
| 453 | K | 85.9 | Confident | 87.2 | Confident | 154 Ų | 154 | 67.1 Ų | 67.1 | 67% | 0.67 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 2.5 | 174.2 | -69.6 | 171.1 | -175.4 | 172.8 | 0 | 113.8 | D449 L450 Q451 M455 | D449-K453 WeakPolarHBondContact O-CB 3.45Å; D449-K453 VanDerWaalsContact O-CG 3.28Å; D449-K453 WeakPolarHBondContact O-CG 3.36Å; D449-K453 PolarHBondContact O-N 2.86Å; D449-K453 VanDerWaalsContact O-N 3.07Å; L450-K453 PolarHBondContact O-N 3.48Å; Q451-K453 PolarHBondContact O-N 3.44Å; K453-M455 HydrophobicContact CB-CG 4.4Å; K453-M455 PolarHBondContact O-N 3.21Å |
| 454 | G | 80.1 | Confident | 87.1 | Confident | 73 Ų | 73 | 66.8 Ų | 66.8 | 75% | 0.753 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | 11 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | L450 Q451 R452 | L450-G454 PolarHBondContact O-N 3.27Å; Q451-G454 PolarHBondContact O-N 2.95Å; R452-G454 VanDerWaalsContact C-N 3.26Å; R452-G454 PolarHBondContact O-N 3.16Å |
| 455 | M | 82.1 | Confident | 87.1 | Confident | 87 Ų | 87 | 67 Ų | 67 | 43% | 0.429 | 35% | 0.348 | S | S | . | . | trans | -102.2 | 22.1 | -178.7 | -61.4 | -176.9 | 72 | 0 | 0 | 112.5 | L450 K453 D457 S458 A461 | L450-M455 HydrophobicContact CD2-CB 4.2Å; L450-M455 CarbonylContact O-C 3.04Å; L450-M455 WeakPolarHBondContact O-CA 3.36Å; L450-M455 PolarHBondContact O-N 3.15Å; K453-M455 HydrophobicContact CB-CG 4.4Å; K453-M455 PolarHBondContact O-N 3.21Å; M455-D457 PolarHBondContact O-N 3.03Å; M455-S458 VanDerWaalsContact O-CB 3.25Å; M455-S458 WeakPolarHBondContact O-CB 3.25Å; M455-S458 PolarHBondContact O-N 3.42Å; M455-S458 PolarHBondContact O-OG 2.86Å; M455-A461 WeakPolarHBondContact O-CB 3.33Å | ||
| 456 | G | 75.4 | Confident | 87.1 | Confident | 11 Ų | 11 | 67.8 Ų | 67.8 | 11% | 0.113 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -13.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L450 A461 | L450-G456 PolarHBondContact O-N 3.43Å; G456-A461 WeakPolarHBondContact O-CB 3.47Å |
| 457 | D | 78.9 | Confident | 87.2 | Confident | 71 Ų | 71 | 67.9 Ų | 67.9 | 38% | 0.38 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | 4.1 | -179.5 | -139.8 | -3.3 | 0 | 0 | 0 | 113.4 | H400 M455 R462 | H400-D457 IonicContact CE1-OD1 3.66Å; H400-D457 IonicContact CE1-OD2 2.85Å; H400-D457 PolarHBondContact CE1-OD2 3.13Å; H400-D457 IonicContact NE2-OD1 2.73Å; H400-D457 IonicContact NE2-OD2 3.71Å; H400-D457 PolarHBondContact NE2-OD2 3.06Å; M455-D457 PolarHBondContact O-N 3.03Å; D457-R462 PolarHBondContact O-NE 2.86Å; D457-R462 IonicContact OD1-CZ 3.82Å; D457-R462 IonicContact OD1-NE 3.88Å; D457-R462 PolarHBondContact OD1-NE 3.46Å; D457-R462 IonicContact OD1-NH2 3.4Å; D457-R462 PolarHBondContact OD1-NH2 3.49Å; D457-R462 IonicContact OD2-NH2 2.83Å |
| 458 | S | 85.5 | Confident | 87.4 | Confident | 17 Ų | 17 | 67.9 Ų | 67.9 | 12% | 0.119 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -64.8 | 157.3 | 179.8 | 64.6 | 0 | 0 | 0 | 0 | 111.5 | M455 Q460 A461 R462 | M455-S458 VanDerWaalsContact O-CB 3.25Å; M455-S458 WeakPolarHBondContact O-CB 3.25Å; M455-S458 PolarHBondContact O-N 3.42Å; M455-S458 PolarHBondContact O-OG 2.86Å; S458-Q460 PolarHBondContact O-N 2.76Å; S458-Q460 VanDerWaalsContact O-N 3.1Å; S458-A461 PolarHBondContact O-N 3.01Å; S458-A461 PolarHBondContact OG-N 3.48Å; S458-A461 VanDerWaalsContact OG-N 3.1Å; S458-R462 PolarHBondContact O-N 3.26Å |
| 459 | P | 89.5 | Confident | 87.8 | Confident | 111 Ų | 111 | 70.8 Ų | 70.8 | 72% | 0.721 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -53.5 | -31.3 | 171.5 | -26.2 | 34.5 | 0 | 0 | 0 | 113 | A463 | P459-A463 WeakPolarHBondContact O-CB 3.47Å; P459-A463 PolarHBondContact O-N 2.74Å |
| 460 | Q | 89.6 | Confident | 88.1 | Confident | 124 Ų | 124 | 69.1 Ų | 69.1 | 58% | 0.579 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -68.5 | -45.2 | 175.8 | -65.9 | 163.8 | -12.3 | 0 | 0 | 111.6 | L450 S458 A463 A464 | L450-Q460 HydrophobicContact CD1-CB 4.18Å; S458-Q460 PolarHBondContact O-N 2.76Å; S458-Q460 VanDerWaalsContact O-N 3.1Å; Q460-A463 PolarHBondContact O-N 2.97Å; Q460-A464 PolarHBondContact O-N 3.19Å |
| 461 | A | 88.6 | Confident | 88.4 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L447 L450 M455 G456 S458 A463 A464 I465 | L447-A461 HydrophobicContact CD1-CB 4Å; L450-A461 HydrophobicContact CB-CB 4.44Å; L450-A461 HydrophobicContact CD1-CB 4.05Å; M455-A461 WeakPolarHBondContact O-CB 3.33Å; G456-A461 WeakPolarHBondContact O-CB 3.47Å; S458-A461 PolarHBondContact O-N 3.01Å; S458-A461 PolarHBondContact OG-N 3.48Å; S458-A461 VanDerWaalsContact OG-N 3.1Å; A461-A463 PolarHBondContact O-N 3.29Å; A461-A464 PolarHBondContact O-N 3.44Å; A461-I465 VanDerWaalsContact O-CG1 3.28Å; A461-I465 WeakPolarHBondContact O-CG1 3.33Å; A461-I465 PolarHBondContact O-N 3.25Å |
| 462 | R | 90.1 | Very high | 88.9 | Confident | 145 Ų | 145 | 68.7 Ų | 68.7 | 55% | 0.547 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.2 | -41.4 | 175 | -67.4 | 179.2 | -176.1 | -178.2 | 0.4 | 112.2 | D457 S458 I465 E466 | D457-R462 PolarHBondContact O-NE 2.86Å; D457-R462 IonicContact OD1-CZ 3.82Å; D457-R462 IonicContact OD1-NE 3.88Å; D457-R462 PolarHBondContact OD1-NE 3.46Å; D457-R462 IonicContact OD1-NH2 3.4Å; D457-R462 PolarHBondContact OD1-NH2 3.49Å; D457-R462 IonicContact OD2-NH2 2.83Å; S458-R462 PolarHBondContact O-N 3.26Å; R462-I465 PolarHBondContact O-N 2.82Å; R462-E466 PolarHBondContact O-N 2.93Å |
| 463 | A | 92.2 | Very high | 89.4 | Confident | 47 Ų | 47 | 65.7 Ų | 65.7 | 39% | 0.388 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.9 | -41.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | P459 Q460 A461 E466 Q467 | P459-A463 WeakPolarHBondContact O-CB 3.47Å; P459-A463 PolarHBondContact O-N 2.74Å; Q460-A463 PolarHBondContact O-N 2.97Å; A461-A463 PolarHBondContact O-N 3.29Å; A463-E466 PolarHBondContact O-N 3.32Å; A463-Q467 WeakPolarHBondContact O-CG 3.37Å; A463-Q467 PolarHBondContact O-N 2.71Å |
| 464 | A | 92.3 | Very high | 89.9 | Confident | 8 Ų | 8 | 61.6 Ų | 61.6 | 7% | 0.066 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q460 A461 Q467 L468 | Q460-A464 PolarHBondContact O-N 3.19Å; A461-A464 PolarHBondContact O-N 3.44Å; A464-Q467 PolarHBondContact O-N 3.42Å; A464-L468 VanDerWaalsContact O-CB 3.23Å; A464-L468 WeakPolarHBondContact O-CB 3.25Å; A464-L468 PolarHBondContact O-N 3.47Å |
| 465 | I | 92.1 | Very high | 90.6 | Very high | 12 Ų | 12 | 58.1 Ų | 58.1 | 6% | 0.062 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.8 | -48.2 | 175.3 | -72.3 | 164.4 | 0 | 0 | 0 | 111.1 | L396 P399 L447 A461 R462 L468 R469 | L396-I465 HydrophobicContact CB-CG2 4.11Å; L396-I465 HydrophobicContact CD2-CG1 4.19Å; P399-I465 HydrophobicContact CG-CD1 4.42Å; L447-I465 HydrophobicContact CD1-CD1 4.11Å; L447-I465 HydrophobicContact CD1-CG1 3.84Å; L447-I465 HydrophobicContact CD2-CG1 3.78Å; L447-I465 HydrophobicContact CG-CG1 4.49Å; A461-I465 VanDerWaalsContact O-CG1 3.28Å; A461-I465 WeakPolarHBondContact O-CG1 3.33Å; A461-I465 PolarHBondContact O-N 3.25Å; R462-I465 PolarHBondContact O-N 2.82Å; I465-L468 PolarHBondContact O-N 2.71Å; I465-R469 WeakPolarHBondContact O-CG 3.43Å; I465-R469 PolarHBondContact O-N 3.25Å |
| 466 | E | 92.9 | Very high | 91.2 | Very high | 126 Ų | 126 | 55.4 Ų | 55.4 | 59% | 0.589 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -65.4 | -39.9 | 179.6 | -72.6 | -57.1 | 123.9 | 0 | 0 | 112.3 | R462 A463 R469 G470 | R462-E466 PolarHBondContact O-N 2.93Å; A463-E466 PolarHBondContact O-N 3.32Å; E466-R469 PolarHBondContact O-N 2.83Å; E466-R469 IonicContact OE1-NE 2.88Å; E466-G470 PolarHBondContact O-N 3.37Å; E466-G470 VanDerWaalsContact O-N 3.08Å |
| 467 | Q | 94.6 | Very high | 92 | Very high | 113 Ų | 113 | 60.2 Ų | 60.2 | 53% | 0.528 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | 173.6 | -72.7 | -178.8 | 16.7 | 0 | 0 | 111.6 | L443 A463 A464 R469 G470 K471 | L443-Q467 HydrophobicContact CD1-CB 3.91Å; L443-Q467 HydrophobicContact CD2-CB 4.34Å; A463-Q467 WeakPolarHBondContact O-CG 3.37Å; A463-Q467 PolarHBondContact O-N 2.71Å; A464-Q467 PolarHBondContact O-N 3.42Å; Q467-R469 PolarHBondContact O-N 2.7Å; Q467-G470 PolarHBondContact O-N 3.23Å; Q467-K471 WeakPolarHBondContact O-CB 3.36Å; Q467-K471 WeakPolarHBondContact O-CG 3.36Å; Q467-K471 PolarHBondContact O-N 3.46Å |
| 468 | L | 94.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 178.7 | -168.9 | 66.4 | 0 | 0 | 0 | 111.1 | L396 I440 L443 L447 A464 I465 G470 K471 L472 | L396-L468 HydrophobicContact CD1-CB 4.37Å; L396-L468 HydrophobicContact CD1-CD2 3.75Å; L396-L468 HydrophobicContact CD1-CG 4.07Å; L396-L468 HydrophobicContact CD2-CD2 3.61Å; L396-L468 HydrophobicContact CG-CD2 4.27Å; I440-L468 HydrophobicContact CB-CD1 4.29Å; I440-L468 HydrophobicContact CG2-CD1 3.61Å; L443-L468 HydrophobicContact CB-CD1 3.94Å; L447-L468 HydrophobicContact CD2-CD2 4.48Å; A464-L468 VanDerWaalsContact O-CB 3.23Å; A464-L468 WeakPolarHBondContact O-CB 3.25Å; A464-L468 PolarHBondContact O-N 3.47Å; I465-L468 PolarHBondContact O-N 2.71Å; L468-G470 PolarHBondContact O-N 2.97Å; L468-K471 PolarHBondContact O-N 2.9Å; L468-L472 HydrophobicContact CG-CD1 4.13Å; L468-L472 WeakPolarHBondContact O-CB 3.29Å; L468-L472 WeakPolarHBondContact O-CD1 3.26Å; L468-L472 WeakPolarHBondContact O-CG 3.14Å; L468-L472 PolarHBondContact O-N 3.24Å |
| 469 | R | 94.2 | Very high | 93 | Very high | 73 Ų | 73 | 58 Ų | 58 | 28% | 0.275 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.8 | -46.6 | 173.8 | -74.3 | 175.8 | -177.9 | -89 | -7.2 | 112.1 | L393 L396 A397 I465 E466 Q467 H473 | L393-R469 HydrophobicContact CD2-CG 3.9Å; L393-R469 PolarHBondContact O-NH2 3.38Å; L396-R469 HydrophobicContact CD1-CG 4.1Å; L396-R469 PolarHBondContact O-NH2 3.05Å; A397-R469 VanDerWaalsContact CA-NH2 3.28Å; A397-R469 VanDerWaalsContact N-NH2 3.12Å; I465-R469 WeakPolarHBondContact O-CG 3.43Å; I465-R469 PolarHBondContact O-N 3.25Å; E466-R469 PolarHBondContact O-N 2.83Å; E466-R469 IonicContact OE1-NE 2.88Å; Q467-R469 PolarHBondContact O-N 2.7Å; R469-H473 PolarHBondContact O-N 3.45Å |
| 470 | G | 94.7 | Very high | 93.1 | Very high | 34 Ų | 34 | 54.5 Ų | 54.5 | 35% | 0.351 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.6 | -47.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E466 Q467 L468 L472 H473 D474 | E466-G470 PolarHBondContact O-N 3.37Å; E466-G470 VanDerWaalsContact O-N 3.08Å; Q467-G470 PolarHBondContact O-N 3.23Å; L468-G470 PolarHBondContact O-N 2.97Å; G470-L472 VanDerWaalsContact C-N 3.33Å; G470-L472 PolarHBondContact O-N 3.09Å; G470-H473 WeakPolarHBondContact O-CB 3.5Å; G470-H473 PolarHBondContact O-N 3.5Å; G470-H473 VanDerWaalsContact O-N 3.11Å; G470-D474 PolarHBondContact O-N 2.9Å |
| 471 | K | 96 | Very high | 93.2 | Very high | 63 Ų | 63 | 53.3 Ų | 53.3 | 27% | 0.274 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.3 | -35 | -179.9 | -66.4 | -78.4 | 174.3 | 172.8 | 0 | 112.6 | L436 E439 I440 L443 Q467 L468 H473 D474 L475 | L436-K471 HydrophobicContact CD1-CB 4.03Å; L436-K471 HydrophobicContact CD1-CD 3.34Å; L436-K471 HydrophobicContact CD1-CG 4.27Å; E439-K471 WeakPolarHBondContact OE2-CE 3.49Å; E439-K471 IonicContact OE2-NZ 2.6Å; E439-K471 PolarHBondContact OE2-NZ 2.97Å; I440-K471 HydrophobicContact CD1-CB 4.2Å; I440-K471 HydrophobicContact CG1-CB 3.72Å; L443-K471 HydrophobicContact CD1-CG 4.23Å; Q467-K471 WeakPolarHBondContact O-CB 3.36Å; Q467-K471 WeakPolarHBondContact O-CG 3.36Å; Q467-K471 PolarHBondContact O-N 3.46Å; L468-K471 PolarHBondContact O-N 2.9Å; K471-H473 VanDerWaalsContact C-N 3.33Å; K471-D474 PolarHBondContact O-N 2.91Å; K471-L475 WeakPolarHBondContact O-CB 3.32Å; K471-L475 PolarHBondContact O-N 3.45Å |
| 472 | L | 95.2 | Very high | 93.4 | Very high | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64 | -37.6 | 172.4 | -76.3 | 167.1 | 0 | 0 | 0 | 112.3 | V392 L396 L411 L414 I440 L468 G470 L475 K476 | V392-L472 HydrophobicContact CG1-CD1 3.53Å; L396-L472 HydrophobicContact CD1-CD1 4.08Å; L411-L472 HydrophobicContact CD1-CD2 3.67Å; L414-L472 HydrophobicContact CD2-CD2 3.66Å; I440-L472 HydrophobicContact CD1-CD2 4.46Å; I440-L472 HydrophobicContact CG2-CD2 4.34Å; L468-L472 HydrophobicContact CG-CD1 4.13Å; L468-L472 WeakPolarHBondContact O-CB 3.29Å; L468-L472 WeakPolarHBondContact O-CD1 3.26Å; L468-L472 WeakPolarHBondContact O-CG 3.14Å; L468-L472 PolarHBondContact O-N 3.24Å; G470-L472 VanDerWaalsContact C-N 3.33Å; G470-L472 PolarHBondContact O-N 3.09Å; L472-L475 PolarHBondContact O-N 3.48Å; L472-K476 WeakPolarHBondContact O-CB 3.32Å; L472-K476 PolarHBondContact O-N 3.4Å |
| 473 | H | 93.9 | Very high | 93.6 | Very high | 108 Ų | 108 | 46.8 Ų | 46.8 | 50% | 0.5 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.2 | -47.4 | 173.8 | -179.1 | -82.6 | 0 | 0 | 0 | 111.3 | R469 G470 K471 L475 K476 E477 | R469-H473 PolarHBondContact O-N 3.45Å; G470-H473 WeakPolarHBondContact O-CB 3.5Å; G470-H473 PolarHBondContact O-N 3.5Å; G470-H473 VanDerWaalsContact O-N 3.11Å; K471-H473 VanDerWaalsContact C-N 3.33Å; H473-L475 VanDerWaalsContact C-N 3.27Å; H473-L475 PolarHBondContact O-N 3.04Å; H473-K476 PolarHBondContact O-N 3.06Å; H473-K476 VanDerWaalsContact O-N 3.17Å; H473-E477 VanDerWaalsContact CE1-CD 3.46Å; H473-E477 IonicContact CE1-OE1 3.17Å; H473-E477 PolarHBondContact CE1-OE1 2.68Å; H473-E477 IonicContact ND1-OE1 2.68Å; H473-E477 IonicContact NE2-OE1 2.94Å; H473-E477 PolarHBondContact O-N 2.7Å |
| 474 | D | 95.3 | Very high | 93.6 | Very high | 67 Ų | 67 | 46 Ų | 46 | 36% | 0.358 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.5 | -39.3 | 176.5 | -62.4 | -17 | 0 | 0 | 0 | 111.7 | L436 G470 K471 E477 M478 | L436-D474 HydrophobicContact CD2-CB 3.95Å; G470-D474 PolarHBondContact O-N 2.9Å; K471-D474 PolarHBondContact O-N 2.91Å; D474-E477 PolarHBondContact O-N 3.25Å; D474-M478 PolarHBondContact O-N 3.17Å |
| 475 | L | 95.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.1 | -45.7 | 176.6 | -175.3 | 67 | 0 | 0 | 0 | 110.6 | L414 L415 A418 I433 L436 I440 K471 L472 H473 M478 M479 | L414-L475 HydrophobicContact CG-CD2 4.44Å; L415-L475 HydrophobicContact CD2-CD2 3.68Å; A418-L475 HydrophobicContact CB-CD1 3.93Å; A418-L475 HydrophobicContact CB-CD2 4.09Å; A418-L475 HydrophobicContact CB-CG 4.28Å; I433-L475 HydrophobicContact CG2-CD1 4.15Å; L436-L475 HydrophobicContact CD2-CB 3.7Å; L436-L475 HydrophobicContact CD2-CD1 4.01Å; L436-L475 HydrophobicContact CD2-CG 4.49Å; L436-L475 HydrophobicContact CG-CB 4.44Å; L436-L475 HydrophobicContact CG-CD1 4.38Å; I440-L475 HydrophobicContact CD1-CB 3.92Å; I440-L475 HydrophobicContact CD1-CD2 3.75Å; I440-L475 HydrophobicContact CD1-CG 4.33Å; K471-L475 WeakPolarHBondContact O-CB 3.32Å; K471-L475 PolarHBondContact O-N 3.45Å; L472-L475 PolarHBondContact O-N 3.48Å; H473-L475 VanDerWaalsContact C-N 3.27Å; H473-L475 PolarHBondContact O-N 3.04Å; L475-M478 PolarHBondContact O-N 3.32Å; L475-M479 HydrophobicContact CD2-SD 4.4Å; L475-M479 HydrophobicContact CG-CG 4.43Å; L475-M479 HydrophobicContact CG-SD 4.02Å; L475-M479 VanDerWaalsContact O-CG 3.28Å; L475-M479 WeakPolarHBondContact O-CG 3.29Å; L475-M479 PolarHBondContact O-N 3.08Å |
| 476 | K | 93.4 | Very high | 93.7 | Very high | 29 Ų | 29 | 49.2 Ų | 49.2 | 13% | 0.126 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.7 | -45.4 | 177.8 | -178.4 | 56.1 | 165.5 | 79.1 | 0 | 111.7 | V385 I389 L472 H473 M478 M479 D480 | V385-K476 HydrophobicContact CG1-CD 4.02Å; I389-K476 HydrophobicContact CD1-CB 3.94Å; I389-K476 HydrophobicContact CD1-CD 3.7Å; I389-K476 HydrophobicContact CD1-CG 3.95Å; L472-K476 WeakPolarHBondContact O-CB 3.32Å; L472-K476 PolarHBondContact O-N 3.4Å; H473-K476 PolarHBondContact O-N 3.06Å; H473-K476 VanDerWaalsContact O-N 3.17Å; K476-M478 VanDerWaalsContact C-N 3.32Å; K476-M478 PolarHBondContact O-N 2.89Å; K476-M479 PolarHBondContact O-N 3.28Å; K476-D480 IonicContact NZ-OD1 2.77Å; K476-D480 PolarHBondContact NZ-OD1 2.73Å; K476-D480 IonicContact NZ-OD2 3.79Å; K476-D480 PolarHBondContact NZ-OD2 3.34Å; K476-D480 WeakPolarHBondContact O-CB 3.43Å; K476-D480 PolarHBondContact O-N 3.11Å |
| 477 | E | 92.3 | Very high | 93.8 | Very high | 112 Ų | 112 | 43.2 Ų | 43.2 | 52% | 0.523 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.4 | -39.8 | 176.5 | -73.1 | -166.9 | 155.7 | 0 | 0 | 112.2 | H473 D474 R481 | H473-E477 VanDerWaalsContact CE1-CD 3.46Å; H473-E477 IonicContact CE1-OE1 3.17Å; H473-E477 PolarHBondContact CE1-OE1 2.68Å; H473-E477 IonicContact ND1-OE1 2.68Å; H473-E477 IonicContact NE2-OE1 2.94Å; H473-E477 PolarHBondContact O-N 2.7Å; D474-E477 PolarHBondContact O-N 3.25Å; E477-R481 PolarHBondContact O-N 2.91Å; E477-R481 VanDerWaalsContact O-N 3.08Å |
| 478 | M | 93 | Very high | 93.7 | Very high | 41 Ų | 41 | 37.9 Ų | 37.9 | 20% | 0.202 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.4 | -44 | 175 | -80.4 | -169.3 | -92 | 0 | 0 | 112.3 | I433 L436 D474 L475 K476 R481 V482 | I433-M478 HydrophobicContact CG1-CB 4.24Å; I433-M478 HydrophobicContact CG1-SD 4.07Å; L436-M478 HydrophobicContact CB-CE 4.25Å; L436-M478 HydrophobicContact CD2-CE 3.16Å; L436-M478 HydrophobicContact CG-CE 4.28Å; D474-M478 PolarHBondContact O-N 3.17Å; L475-M478 PolarHBondContact O-N 3.32Å; K476-M478 VanDerWaalsContact C-N 3.32Å; K476-M478 PolarHBondContact O-N 2.89Å; M478-R481 PolarHBondContact O-N 3.42Å; M478-V482 VanDerWaalsContact O-CG2 3.3Å; M478-V482 WeakPolarHBondContact O-CG2 3.48Å; M478-V482 PolarHBondContact O-N 3.14Å |
| 479 | M | 93.7 | Very high | 93.6 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.8 | -44.2 | 175.9 | -70.2 | 174.1 | 76 | 0 | 0 | 111.6 | V385 L414 E417 A418 M421 L475 K476 R481 V482 L483 | V385-M479 HydrophobicContact CG1-CE 4.03Å; V385-M479 HydrophobicContact CG1-SD 4.41Å; V385-M479 HydrophobicContact CG2-CE 3.69Å; L414-M479 HydrophobicContact CD1-CE 4.31Å; L414-M479 HydrophobicContact CD1-SD 4.17Å; E417-M479 HydrophobicContact CG-CE 4.36Å; A418-M479 HydrophobicContact CB-CE 4.1Å; A418-M479 HydrophobicContact CB-CG 4.17Å; A418-M479 HydrophobicContact CB-SD 3.71Å; M421-M479 HydrophobicContact CE-CB 4.16Å; M421-M479 VanDerWaalsContact CE-O 3.24Å; M421-M479 WeakPolarHBondContact CE-O 3.1Å; M421-M479 HydrophobicContact SD-CB 4.26Å; M421-M479 HydrophobicContact SD-CE 3.52Å; M421-M479 VanDerWaalsContact SD-CE 3.52Å; M421-M479 HydrophobicContact SD-CG 4.33Å; L475-M479 HydrophobicContact CD2-SD 4.4Å; L475-M479 HydrophobicContact CG-CG 4.43Å; L475-M479 HydrophobicContact CG-SD 4.02Å; L475-M479 VanDerWaalsContact O-CG 3.28Å; L475-M479 WeakPolarHBondContact O-CG 3.29Å; L475-M479 PolarHBondContact O-N 3.08Å; K476-M479 PolarHBondContact O-N 3.28Å; M479-R481 VanDerWaalsContact C-N 3.32Å; M479-R481 PolarHBondContact O-N 2.9Å; M479-V482 PolarHBondContact O-N 3.3Å; M479-L483 WeakPolarHBondContact O-CB 3.27Å; M479-L483 PolarHBondContact O-N 2.97Å |
| 480 | D | 91.9 | Very high | 93.6 | Very high | 37 Ų | 37 | 37.7 Ų | 37.7 | 20% | 0.198 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.8 | -43 | 177.1 | -76.8 | -24 | 0 | 0 | 0 | 111.7 | K476 L483 L484 | K476-D480 IonicContact NZ-OD1 2.77Å; K476-D480 PolarHBondContact NZ-OD1 2.73Å; K476-D480 IonicContact NZ-OD2 3.79Å; K476-D480 PolarHBondContact NZ-OD2 3.34Å; K476-D480 WeakPolarHBondContact O-CB 3.43Å; K476-D480 PolarHBondContact O-N 3.11Å; D480-L483 PolarHBondContact O-N 3.28Å; D480-L484 WeakPolarHBondContact O-CB 3.42Å; D480-L484 WeakPolarHBondContact O-CG 3.04Å; D480-L484 PolarHBondContact O-N 3.18Å |
| 481 | R | 91.4 | Very high | 93.7 | Very high | 99 Ų | 99 | 36.1 Ų | 36.1 | 37% | 0.374 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -62.3 | -45.7 | 176.3 | -177.9 | 177.5 | 60.6 | 127.7 | 10.1 | 112.2 | E429 E477 M478 M479 L483 L484 D485 | E429-R481 IonicContact OE1-CZ 3.07Å; E429-R481 IonicContact OE1-NH1 3.22Å; E429-R481 PolarHBondContact OE1-NH1 3.34Å; E429-R481 IonicContact OE1-NH2 3.97Å; E429-R481 PolarHBondContact OE1-NH2 3.06Å; E429-R481 IonicContact OE2-NH2 2.62Å; E477-R481 PolarHBondContact O-N 2.91Å; E477-R481 VanDerWaalsContact O-N 3.08Å; M478-R481 PolarHBondContact O-N 3.42Å; M479-R481 VanDerWaalsContact C-N 3.32Å; M479-R481 PolarHBondContact O-N 2.9Å; R481-L483 VanDerWaalsContact C-N 3.31Å; R481-L483 PolarHBondContact O-N 3.31Å; R481-L484 PolarHBondContact O-N 3.44Å; R481-D485 PolarHBondContact O-N 3.27Å |
| 482 | V | 92.6 | Very high | 93.5 | Very high | 5 Ų | 5 | 34.2 Ų | 34.2 | 3% | 0.03 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60 | -44.5 | 177.5 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | M421 C425 I433 M478 M479 D485 R486 | M421-V482 HydrophobicContact CB-CG1 4.38Å; M421-V482 HydrophobicContact CE-CB 4.3Å; M421-V482 HydrophobicContact CE-CG1 4.22Å; C425-V482 WeakPolarHBondContact SG-CG1 3.44Å; C425-V482 WeakPolarHBondContact SG-CG2 3.31Å; I433-V482 HydrophobicContact CD1-CG2 3.74Å; M478-V482 VanDerWaalsContact O-CG2 3.3Å; M478-V482 WeakPolarHBondContact O-CG2 3.48Å; M478-V482 PolarHBondContact O-N 3.14Å; M479-V482 PolarHBondContact O-N 3.3Å; V482-D485 PolarHBondContact O-N 3.23Å; V482-R486 WeakPolarHBondContact O-CG 3.45Å; V482-R486 PolarHBondContact O-N 2.99Å; V482-R486 VanDerWaalsContact O-N 3.12Å |
| 483 | L | 93.6 | Very high | 93.3 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.016 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.7 | -46.5 | 177.5 | -178.1 | 63.5 | 0 | 0 | 0 | 111.7 | M421 M479 D480 R481 D485 R486 V487 L538 V539 | M421-L483 HydrophobicContact CE-CB 3.89Å; M479-L483 WeakPolarHBondContact O-CB 3.27Å; M479-L483 PolarHBondContact O-N 2.97Å; D480-L483 PolarHBondContact O-N 3.28Å; R481-L483 VanDerWaalsContact C-N 3.31Å; R481-L483 PolarHBondContact O-N 3.31Å; L483-D485 VanDerWaalsContact C-N 3.35Å; L483-D485 PolarHBondContact O-N 3.2Å; L483-R486 WeakPolarHBondContact O-CB 3.43Å; L483-R486 PolarHBondContact O-N 3.1Å; L483-V487 WeakPolarHBondContact O-CG2 3.46Å; L483-V487 PolarHBondContact O-N 2.81Å; L483-L538 HydrophobicContact CD1-CB 3.65Å; L483-V539 HydrophobicContact CD1-CG2 3.72Å; L483-V539 HydrophobicContact CD2-CG2 4.26Å; L483-V539 HydrophobicContact CG-CG2 4.08Å |
| 484 | L | 92.9 | Very high | 93.3 | Very high | 29 Ų | 29 | 30.9 Ų | 30.9 | 15% | 0.152 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.7 | -42.8 | 177.8 | -75.2 | 170.4 | 0 | 0 | 0 | 112 | D480 R481 R486 V487 V488 V610 D614 A618 | D480-L484 WeakPolarHBondContact O-CB 3.42Å; D480-L484 WeakPolarHBondContact O-CG 3.04Å; D480-L484 PolarHBondContact O-N 3.18Å; R481-L484 PolarHBondContact O-N 3.44Å; L484-R486 VanDerWaalsContact C-N 3.3Å; L484-R486 PolarHBondContact O-N 3.49Å; L484-V487 PolarHBondContact O-N 2.92Å; L484-V488 WeakPolarHBondContact O-CG2 3.11Å; L484-V488 PolarHBondContact O-N 2.92Å; L484-V610 HydrophobicContact CD2-CB 4.41Å; L484-V610 HydrophobicContact CD2-CG1 3.33Å; L484-V610 HydrophobicContact CD2-CG2 4.22Å; L484-D614 HydrophobicContact CD1-CB 3.86Å; L484-D614 HydrophobicContact CD2-CB 4.45Å; L484-A618 HydrophobicContact CB-CB 4.36Å |
| 485 | D | 92.6 | Very high | 93.2 | Very high | 28 Ų | 28 | 32.1 Ų | 32.1 | 15% | 0.15 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.6 | -40.5 | 175.7 | -78.2 | -31.4 | 0 | 0 | 0 | 111.3 | R481 V482 L483 V488 D489 R625 | R481-D485 PolarHBondContact O-N 3.27Å; V482-D485 PolarHBondContact O-N 3.23Å; L483-D485 VanDerWaalsContact C-N 3.35Å; L483-D485 PolarHBondContact O-N 3.2Å; D485-V488 PolarHBondContact O-N 3.2Å; D485-D489 WeakPolarHBondContact O-CB 3.46Å; D485-D489 PolarHBondContact O-N 3.02Å; D485-R625 IonicContact OD1-NH2 2.7Å |
| 486 | R | 93.4 | Very high | 93.1 | Very high | 61 Ų | 61 | 34.2 Ų | 34.2 | 23% | 0.23 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.5 | -42 | 172.7 | -68.9 | -62.9 | 88.3 | 135.2 | 0.2 | 113.1 | L424 V482 L483 L484 V488 D489 D490 T535 | L424-R486 HydrophobicContact CD1-CG 4.24Å; L424-R486 PolarHBondContact O-NH1 2.7Å; V482-R486 WeakPolarHBondContact O-CG 3.45Å; V482-R486 PolarHBondContact O-N 2.99Å; V482-R486 VanDerWaalsContact O-N 3.12Å; L483-R486 WeakPolarHBondContact O-CB 3.43Å; L483-R486 PolarHBondContact O-N 3.1Å; L484-R486 VanDerWaalsContact C-N 3.3Å; L484-R486 PolarHBondContact O-N 3.49Å; R486-V488 VanDerWaalsContact C-N 3.31Å; R486-V488 PolarHBondContact O-N 3.3Å; R486-D489 IonicContact CZ-OD2 3.02Å; R486-D489 IonicContact NE-OD2 3.76Å; R486-D489 IonicContact NH2-OD2 3.85Å; R486-D489 PolarHBondContact NH2-OD2 2.9Å; R486-D489 PolarHBondContact O-N 3.31Å; R486-D490 WeakPolarHBondContact O-CB 3.36Å; R486-D490 PolarHBondContact O-N 2.84Å; R486-T535 HydrophobicContact CB-CG2 3.8Å |
| 487 | V | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60 | -44.6 | 176 | 169.1 | 0 | 0 | 0 | 0 | 110.8 | L483 L484 F491 T535 V539 V606 V610 F615 | L483-V487 WeakPolarHBondContact O-CG2 3.46Å; L483-V487 PolarHBondContact O-N 2.81Å; L484-V487 PolarHBondContact O-N 2.92Å; V487-F491 WeakPolarHBondContact O-CB 2.95Å; V487-F491 PolarHBondContact O-N 2.71Å; V487-T535 HydrophobicContact CG2-CG2 4Å; V487-V539 HydrophobicContact CG2-CG2 3.47Å; V487-V539 VanDerWaalsContact CG2-CG2 3.47Å; V487-V606 HydrophobicContact CB-CG1 4.24Å; V487-V606 HydrophobicContact CG1-CG1 3.5Å; V487-V606 HydrophobicContact CG2-CG1 3.71Å; V487-V610 HydrophobicContact CG1-CG2 4.47Å; V487-V610 HydrophobicContact CG2-CG2 4.35Å; V487-F615 HydrophobicContact CG1-CD2 4.36Å; V487-F615 HydrophobicContact CG1-CE2 4.39Å |
| 488 | V | 93.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.2 | -46.2 | 177.6 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | L484 D485 R486 A492 F615 A618 A622 L652 | L484-V488 WeakPolarHBondContact O-CG2 3.11Å; L484-V488 PolarHBondContact O-N 2.92Å; D485-V488 PolarHBondContact O-N 3.2Å; R486-V488 VanDerWaalsContact C-N 3.31Å; R486-V488 PolarHBondContact O-N 3.3Å; V488-A492 WeakPolarHBondContact O-CB 3.41Å; V488-A492 PolarHBondContact O-N 2.93Å; V488-F615 HydrophobicContact CG2-CD2 3.97Å; V488-F615 HydrophobicContact CG2-CE2 3.81Å; V488-A618 HydrophobicContact CG2-CB 3.77Å; V488-A622 HydrophobicContact CG1-CB 3.81Å; V488-L652 HydrophobicContact CG1-CD1 4.48Å; V488-L652 HydrophobicContact CG1-CD2 3.52Å |
| 489 | D | 92.2 | Very high | 93.7 | Very high | 53 Ų | 53 | 32.7 Ų | 32.7 | 28% | 0.283 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -72 | -51.9 | -176.2 | -70.2 | -22.8 | 0 | 0 | 0 | 112.5 | D485 R486 | D485-D489 WeakPolarHBondContact O-CB 3.46Å; D485-D489 PolarHBondContact O-N 3.02Å; R486-D489 IonicContact CZ-OD2 3.02Å; R486-D489 IonicContact NE-OD2 3.76Å; R486-D489 IonicContact NH2-OD2 3.85Å; R486-D489 PolarHBondContact NH2-OD2 2.9Å; R486-D489 PolarHBondContact O-N 3.31Å |
| 490 | D | 94.4 | Very high | 93.9 | Very high | 16 Ų | 16 | 35.3 Ų | 35.3 | 9% | 0.086 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -76.6 | -32.5 | -169.8 | -69.7 | -36 | 0 | 0 | 0 | 112.9 | R486 H528 R531 C532 T535 | R486-D490 WeakPolarHBondContact O-CB 3.36Å; R486-D490 PolarHBondContact O-N 2.84Å; D490-H528 PolarHBondContact O-CE1 3.28Å; D490-R531 IonicContact OD1-NE 3.97Å; D490-C532 PolarHBondContact O-SG 3.42Å; D490-C532 VanDerWaalsContact O-SG 3.38Å; D490-T535 PolarHBondContact OD2-OG1 3.24Å |
| 491 | F | 95.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 8.2 | 179 | -68.1 | -88 | 0 | 0 | 0 | 113.8 | V487 D493 I494 C532 T535 L602 R603 V606 R655 | V487-F491 WeakPolarHBondContact O-CB 2.95Å; V487-F491 PolarHBondContact O-N 2.71Å; F491-D493 VanDerWaalsContact C-N 3.27Å; F491-D493 PolarHBondContact O-N 2.97Å; F491-I494 HydrophobicContact CD1-CG2 3.87Å; F491-C532 HydrophobicContact CE1-CB 4.26Å; F491-C532 HydrophobicContact CZ-CB 4.17Å; F491-C532 WeakPolarHBondContact CZ-O 3.26Å; F491-T535 HydrophobicContact CD2-CG2 4.41Å; F491-T535 HydrophobicContact CE2-CG2 3.94Å; F491-L602 HydrophobicContact CE1-CB 4.47Å; F491-L602 HydrophobicContact CE1-CD2 4.19Å; F491-L602 HydrophobicContact CE1-CG 3.99Å; F491-L602 HydrophobicContact CZ-CD2 3.99Å; F491-L602 HydrophobicContact CZ-CG 3.91Å; F491-R603 HydrophobicContact CB-CG 4.18Å; F491-R603 HydrophobicContact CD1-CB 3.63Å; F491-R603 HydrophobicContact CD1-CG 3.73Å; F491-R603 HydrophobicContact CE1-CB 4Å; F491-R603 HydrophobicContact CG-CG 4.27Å; F491-V606 HydrophobicContact CD2-CG1 4.36Å; F491-V606 HydrophobicContact CE2-CG1 4.31Å; F491-V606 HydrophobicContact CE2-CG2 3.99Å; F491-V606 HydrophobicContact CZ-CG2 3.87Å; F491-R655 WeakPolarHBondContact O-CD 3.35Å |
| 492 | A | 92.3 | Very high | 94.4 | Very high | 23 Ų | 23 | 29.5 Ų | 29.5 | 19% | 0.19 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -59.6 | -37.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V488 L652 | V488-A492 WeakPolarHBondContact O-CB 3.41Å; V488-A492 PolarHBondContact O-N 2.93Å; A492-L652 HydrophobicContact CB-CD2 4.02Å |
| 493 | D | 90.7 | Very high | 94.6 | Very high | 28 Ų | 28 | 34.2 Ų | 34.2 | 15% | 0.15 | 18% | 0.178 | C | C | . | . | trans | -143.1 | 91.1 | -179.3 | -161.6 | -18.3 | 0 | 0 | 0 | 112.4 | F491 T495 T496 H528 R651 | F491-D493 VanDerWaalsContact C-N 3.27Å; F491-D493 PolarHBondContact O-N 2.97Å; D493-T495 VanDerWaalsContact C-N 3.27Å; D493-T495 PolarHBondContact OD1-N 3.45Å; D493-T495 PolarHBondContact OD1-OG1 2.82Å; D493-T496 VanDerWaalsContact CG-OG1 3.25Å; D493-T496 PolarHBondContact OD1-N 3.46Å; D493-T496 PolarHBondContact OD1-OG1 2.98Å; D493-T496 WeakPolarHBondContact OD2-CB 3.42Å; D493-T496 PolarHBondContact OD2-OG1 3.49Å; D493-H528 PolarHBondContact O-CE1 3.06Å; D493-H528 PolarHBondContact O-NE2 3.4Å; D493-R651 WeakPolarHBondContact OD2-CD 3.46Å; D493-R651 IonicContact OD2-NH1 2.6Å | ||
| 494 | I | 93.7 | Very high | 94.8 | Very high | 13 Ų | 13 | 34.1 Ų | 34.1 | 7% | 0.067 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -83.8 | -2.8 | 175.3 | 65.5 | 167.6 | 0 | 0 | 0 | 113.2 | F491 A600 R603 | F491-I494 HydrophobicContact CD1-CG2 3.87Å; I494-A600 HydrophobicContact CD1-CB 4.35Å; I494-R603 HydrophobicContact CD1-CB 4.37Å |
| 495 | T | 94.1 | Very high | 95 | Very high | 93 Ų | 93 | 32.7 Ų | 32.7 | 57% | 0.571 | 17% | 0.17 | S | C | * | . | S | Bend | trans | -109 | -43.5 | -167 | 59.5 | 0 | 0 | 0 | 0 | 113.6 | D493 L498 K499 | D493-T495 VanDerWaalsContact C-N 3.27Å; D493-T495 PolarHBondContact OD1-N 3.45Å; D493-T495 PolarHBondContact OD1-OG1 2.82Å; T495-L498 PolarHBondContact O-N 3.42Å; T495-K499 WeakPolarHBondContact O-CB 3.43Å; T495-K499 PolarHBondContact O-N 2.86Å |
| 496 | T | 94 | Very high | 95.2 | Very high | 46 Ų | 46 | 34.5 Ų | 34.5 | 28% | 0.282 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -63.5 | -43.8 | -172 | -62.2 | 0 | 0 | 0 | 0 | 113.5 | D493 L498 K499 Q500 | D493-T496 VanDerWaalsContact CG-OG1 3.25Å; D493-T496 PolarHBondContact OD1-N 3.46Å; D493-T496 PolarHBondContact OD1-OG1 2.98Å; D493-T496 WeakPolarHBondContact OD2-CB 3.42Å; D493-T496 PolarHBondContact OD2-OG1 3.49Å; T496-L498 VanDerWaalsContact C-N 3.32Å; T496-L498 PolarHBondContact O-N 2.94Å; T496-K499 PolarHBondContact O-N 3.39Å; T496-Q500 HydrophobicContact CG2-CG 4.02Å; T496-Q500 WeakPolarHBondContact O-CB 3.35Å; T496-Q500 WeakPolarHBondContact O-CG 3.43Å; T496-Q500 PolarHBondContact O-N 3.21Å |
| 497 | P | 96.3 | Very high | 95.2 | Very high | 13 Ų | 13 | 32.2 Ų | 32.2 | 8% | 0.084 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.8 | -43 | 179.1 | -26.7 | 37.6 | 0 | 0 | 0 | 112.7 | F501 L525 H528 | P497-F501 WeakPolarHBondContact O-CB 3.19Å; P497-F501 PolarHBondContact O-N 2.99Å; P497-L525 HydrophobicContact CB-CD1 4.27Å; P497-H528 HydrophobicContact CB-CB 4.14Å; P497-H528 HydrophobicContact CG-CB 4.09Å |
| 498 | L | 97.3 | Very high | 95.2 | Very high | 7 Ų | 7 | 36.7 Ų | 36.7 | 4% | 0.037 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.4 | -39.6 | 177.8 | -175.9 | 58.6 | 0 | 0 | 0 | 111.9 | T495 T496 F501 A502 L525 V568 R592 L595 A596 | T495-L498 PolarHBondContact O-N 3.42Å; T496-L498 VanDerWaalsContact C-N 3.32Å; T496-L498 PolarHBondContact O-N 2.94Å; L498-F501 PolarHBondContact O-N 3.38Å; L498-A502 WeakPolarHBondContact O-CB 3.45Å; L498-A502 PolarHBondContact O-N 3Å; L498-L525 HydrophobicContact CB-CD1 4.05Å; L498-L525 HydrophobicContact CD1-CD1 4.15Å; L498-L525 HydrophobicContact CD1-CD2 3.79Å; L498-V568 HydrophobicContact CD1-CG1 4.29Å; L498-R592 HydrophobicContact CD1-CG 4.06Å; L498-R592 HydrophobicContact CD2-CG 4.14Å; L498-R592 HydrophobicContact CG-CG 4.1Å; L498-L595 HydrophobicContact CD1-CD2 4.04Å; L498-A596 HydrophobicContact CD2-CB 3.91Å |
| 499 | K | 96.9 | Very high | 95 | Very high | 129 Ų | 129 | 43.1 Ų | 43.1 | 56% | 0.561 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -63.9 | -46.5 | 176 | -171.5 | -174.1 | 178.8 | -165.8 | 0 | 112 | T495 T496 F501 A502 E503 | T495-K499 WeakPolarHBondContact O-CB 3.43Å; T495-K499 PolarHBondContact O-N 2.86Å; T496-K499 PolarHBondContact O-N 3.39Å; K499-F501 VanDerWaalsContact C-N 3.29Å; K499-F501 PolarHBondContact O-N 3.24Å; K499-A502 PolarHBondContact O-N 3.3Å; K499-E503 WeakPolarHBondContact CE-OE1 3.37Å; K499-E503 IonicContact NZ-OE1 3.24Å; K499-E503 WeakPolarHBondContact O-CG 3.38Å; K499-E503 PolarHBondContact O-N 3.02Å |
| 500 | Q | 97.3 | Very high | 94.9 | Very high | 58 Ų | 58 | 44.3 Ų | 44.3 | 27% | 0.271 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63 | -37.2 | 177.5 | -72 | -178 | 2.2 | 0 | 0 | 111.9 | T496 A504 K521 | T496-Q500 HydrophobicContact CG2-CG 4.02Å; T496-Q500 WeakPolarHBondContact O-CB 3.35Å; T496-Q500 WeakPolarHBondContact O-CG 3.43Å; T496-Q500 PolarHBondContact O-N 3.21Å; Q500-A504 WeakPolarHBondContact O-CB 3.37Å; Q500-A504 PolarHBondContact O-N 2.78Å; Q500-K521 HydrophobicContact CB-CD 4.01Å; Q500-K521 HydrophobicContact CB-CG 4.43Å |
| 501 | F | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.8 | -46.6 | 172.5 | 179.4 | -115 | 0 | 0 | 0 | 111.5 | P497 L498 K499 E503 A504 V505 F518 K521 L525 V568 I569 F588 | P497-F501 WeakPolarHBondContact O-CB 3.19Å; P497-F501 PolarHBondContact O-N 2.99Å; L498-F501 PolarHBondContact O-N 3.38Å; K499-F501 VanDerWaalsContact C-N 3.29Å; K499-F501 PolarHBondContact O-N 3.24Å; F501-E503 VanDerWaalsContact C-N 3.34Å; F501-E503 PolarHBondContact O-N 2.99Å; F501-A504 WeakPolarHBondContact O-CB 3.23Å; F501-A504 PolarHBondContact O-N 3.14Å; F501-A504 VanDerWaalsContact O-N 3.09Å; F501-V505 HydrophobicContact CD1-CG2 4.15Å; F501-V505 HydrophobicContact CD2-CG2 4.34Å; F501-V505 HydrophobicContact CE1-CG2 3.77Å; F501-V505 HydrophobicContact CE2-CG2 3.98Å; F501-V505 HydrophobicContact CG-CG2 4.42Å; F501-V505 HydrophobicContact CZ-CG2 3.67Å; F501-V505 VanDerWaalsContact O-CG2 3.25Å; F501-V505 WeakPolarHBondContact O-CG2 3.38Å; F501-V505 PolarHBondContact O-N 3.35Å; F501-F518 HydrophobicContact CE2-CD2 4.18Å; F501-F518 AromaticContact CE2-CE2 3.68Å; F501-F518 HydrophobicContact CE2-CE2 3.68Å; F501-F518 AromaticContact CE2-CZ 3.95Å; F501-F518 HydrophobicContact CE2-CZ 3.95Å; F501-F518 AromaticContact CZ-CE2 3.93Å; F501-F518 HydrophobicContact CZ-CE2 3.93Å; F501-F518 HydrophobicContact CZ-CZ 4.11Å; F501-K521 HydrophobicContact CB-CB 4.44Å; F501-K521 HydrophobicContact CD2-CB 4.35Å; F501-L525 HydrophobicContact CB-CB 4.37Å; F501-L525 HydrophobicContact CB-CD2 3.97Å; F501-L525 HydrophobicContact CD1-CD2 3.57Å; F501-L525 HydrophobicContact CE1-CD2 4.27Å; F501-L525 HydrophobicContact CG-CD2 3.83Å; F501-V568 HydrophobicContact CE1-CG1 4.34Å; F501-I569 HydrophobicContact CE1-CG1 4.46Å; F501-I569 HydrophobicContact CZ-CB 4.34Å; F501-I569 HydrophobicContact CZ-CG1 4.27Å; F501-I569 HydrophobicContact CZ-CG2 4.41Å; F501-F588 HydrophobicContact CD1-CE2 4.26Å; F501-F588 HydrophobicContact CD1-CZ 4.42Å; F501-F588 AromaticContact CE1-CE2 3.84Å; F501-F588 HydrophobicContact CE1-CE2 3.84Å; F501-F588 HydrophobicContact CE1-CZ 4.38Å |
| 502 | A | 97.6 | Very high | 94.7 | Very high | 13 Ų | 13 | 52 Ų | 52 | 11% | 0.107 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.8 | -41.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L498 K499 A504 V505 V506 F588 | L498-A502 WeakPolarHBondContact O-CB 3.45Å; L498-A502 PolarHBondContact O-N 3Å; K499-A502 PolarHBondContact O-N 3.3Å; A502-A504 VanDerWaalsContact C-N 3.31Å; A502-A504 PolarHBondContact O-N 2.88Å; A502-V505 WeakPolarHBondContact O-CB 3.39Å; A502-V505 PolarHBondContact O-N 2.93Å; A502-V506 WeakPolarHBondContact O-CG2 3.47Å; A502-V506 PolarHBondContact O-N 3.35Å; A502-V506 VanDerWaalsContact O-N 3.11Å; A502-F588 HydrophobicContact CB-CE1 4.1Å; A502-F588 HydrophobicContact CB-CZ 3.97Å |
| 503 | E | 96.9 | Very high | 94.8 | Very high | 104 Ų | 104 | 53.8 Ų | 53.8 | 49% | 0.486 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.8 | -39.7 | 173.3 | -72.7 | 169.1 | -174.7 | 0 | 0 | 111.9 | K499 F501 A507 | K499-E503 WeakPolarHBondContact CE-OE1 3.37Å; K499-E503 IonicContact NZ-OE1 3.24Å; K499-E503 WeakPolarHBondContact O-CG 3.38Å; K499-E503 PolarHBondContact O-N 3.02Å; F501-E503 VanDerWaalsContact C-N 3.34Å; F501-E503 PolarHBondContact O-N 2.99Å; E503-A507 PolarHBondContact O-N 3.36Å |
| 504 | A | 97.4 | Very high | 95 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.008 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -71.1 | -35.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q500 F501 A502 V506 A507 K521 | Q500-A504 WeakPolarHBondContact O-CB 3.37Å; Q500-A504 PolarHBondContact O-N 2.78Å; F501-A504 WeakPolarHBondContact O-CB 3.23Å; F501-A504 PolarHBondContact O-N 3.14Å; F501-A504 VanDerWaalsContact O-N 3.09Å; A502-A504 VanDerWaalsContact C-N 3.31Å; A502-A504 PolarHBondContact O-N 2.88Å; A504-V506 VanDerWaalsContact C-N 3.33Å; A504-A507 WeakPolarHBondContact O-CB 3.22Å; A504-A507 PolarHBondContact O-N 2.71Å; A504-K521 HydrophobicContact CB-CB 4.07Å; A504-K521 HydrophobicContact CB-CG 4Å |
| 505 | V | 97.1 | Very high | 95 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 174.3 | 169.9 | 0 | 0 | 0 | 0 | 111 | F501 A502 F518 G572 R575 F588 | F501-V505 HydrophobicContact CD1-CG2 4.15Å; F501-V505 HydrophobicContact CD2-CG2 4.34Å; F501-V505 HydrophobicContact CE1-CG2 3.77Å; F501-V505 HydrophobicContact CE2-CG2 3.98Å; F501-V505 HydrophobicContact CG-CG2 4.42Å; F501-V505 HydrophobicContact CZ-CG2 3.67Å; F501-V505 VanDerWaalsContact O-CG2 3.25Å; F501-V505 WeakPolarHBondContact O-CG2 3.38Å; F501-V505 PolarHBondContact O-N 3.35Å; A502-V505 WeakPolarHBondContact O-CB 3.39Å; A502-V505 PolarHBondContact O-N 2.93Å; V505-F518 HydrophobicContact CG2-CD2 4.23Å; V505-F518 HydrophobicContact CG2-CE2 3.79Å; V505-G572 WeakPolarHBondContact CG1-O 3.18Å; V505-R575 HydrophobicContact CG1-CB 3.81Å; V505-R575 HydrophobicContact CG1-CG 3.95Å; V505-R575 PolarHBondContact O-NH1 3.23Å; V505-F588 HydrophobicContact CB-CE1 4.2Å; V505-F588 HydrophobicContact CB-CZ 4.11Å; V505-F588 HydrophobicContact CG1-CD1 4.05Å; V505-F588 HydrophobicContact CG1-CE1 3.92Å; V505-F588 HydrophobicContact CG1-CE2 4.47Å; V505-F588 HydrophobicContact CG1-CG 4.37Å; V505-F588 HydrophobicContact CG1-CZ 4.14Å; V505-F588 HydrophobicContact CG2-CE1 4.38Å; V505-F588 HydrophobicContact CG2-CE2 4Å; V505-F588 HydrophobicContact CG2-CZ 3.8Å |
| 506 | V | 95.7 | Very high | 95.1 | Very high | 65 Ų | 65 | 60.9 Ų | 60.9 | 39% | 0.394 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -1.1 | -176.2 | -54.2 | 0 | 0 | 0 | 0 | 114.9 | A502 A504 | A502-V506 WeakPolarHBondContact O-CG2 3.47Å; A502-V506 PolarHBondContact O-N 3.35Å; A502-V506 VanDerWaalsContact O-N 3.11Å; A504-V506 VanDerWaalsContact C-N 3.33Å |
| 507 | A | 94.6 | Very high | 95.2 | Very high | 13 Ų | 13 | 61.8 Ų | 61.8 | 11% | 0.107 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -53.4 | 129.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112 | E503 A504 R514 | E503-A507 PolarHBondContact O-N 3.36Å; A504-A507 WeakPolarHBondContact O-CB 3.22Å; A504-A507 PolarHBondContact O-N 2.71Å; A507-R514 HydrophobicContact CB-CG 4.14Å; A507-R514 PolarHBondContact O-NE 2.97Å; A507-R514 PolarHBondContact O-NH2 3.16Å |
| 508 | P | 93.1 | Very high | 95.2 | Very high | 94 Ų | 94 | 61.6 Ų | 61.6 | 61% | 0.61 | 35% | 0.35 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 145.7 | -179.9 | -24.8 | 33.6 | 0 | 0 | 0 | 113.1 | G510 T511 | P508-G510 PolarHBondContact O-N 2.73Å; P508-T511 WeakPolarHBondContact O-CB 3.38Å; P508-T511 PolarHBondContact O-N 3.39Å; P508-T511 PolarHBondContact O-OG1 3.37Å |
| 509 | E | 90.8 | Very high | 95.2 | Very high | 136 Ų | 136 | 65.3 Ų | 65.3 | 64% | 0.636 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 137.3 | 169.4 | -66.2 | -177.2 | 169.7 | 0 | 0 | 110.2 | ||
| 510 | G | 89.6 | Confident | 95.2 | Very high | 78 Ų | 78 | 63.5 Ų | 63.5 | 80% | 0.804 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.5 | -6.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | P508 | P508-G510 PolarHBondContact O-N 2.73Š|
| 511 | T | 92.9 | Very high | 95.3 | Very high | 59 Ų | 59 | 63.4 Ų | 63.4 | 36% | 0.362 | 37% | 0.365 | S | S | . | . | trans | -61 | 130.3 | 172.5 | -56.4 | 0 | 0 | 0 | 0 | 110.3 | P508 A513 R514 | P508-T511 WeakPolarHBondContact O-CB 3.38Å; P508-T511 PolarHBondContact O-N 3.39Å; P508-T511 PolarHBondContact O-OG1 3.37Å; T511-A513 PolarHBondContact O-N 3.4Å; T511-R514 VanDerWaalsContact O-CB 3.31Å; T511-R514 WeakPolarHBondContact O-CB 3.44Å; T511-R514 PolarHBondContact O-N 2.97Å | ||
| 512 | P | 92.6 | Very high | 95.2 | Very high | 118 Ų | 118 | 63.6 Ų | 63.6 | 77% | 0.766 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 137 | 176.7 | -25.1 | 34.4 | 0 | 0 | 0 | 111.8 | R514 | P512-R514 PolarHBondContact O-N 3.1Å; P512-R514 VanDerWaalsContact O-N 3.13Å |
| 513 | A | 93.2 | Very high | 95.2 | Very high | 62 Ų | 62 | 66.8 Ų | 66.8 | 51% | 0.512 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 27.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | T511 E515 Q516 N517 | T511-A513 PolarHBondContact O-N 3.4Å; A513-E515 VanDerWaalsContact C-N 3.33Å; A513-E515 PolarHBondContact O-N 2.76Å; A513-Q516 HydrophobicContact CB-CB 4.3Å; A513-Q516 PolarHBondContact O-N 3.22Å; A513-N517 WeakPolarHBondContact O-CB 3.29Å; A513-N517 PolarHBondContact O-N 3.01Å |
| 514 | R | 95 | Very high | 95.3 | Very high | 35 Ų | 35 | 64.7 Ų | 64.7 | 13% | 0.132 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -49.1 | -49.7 | -178.1 | -173.1 | -172.3 | 177.7 | -115.3 | -3 | 113.1 | A507 T511 P512 F518 F576 | A507-R514 HydrophobicContact CB-CG 4.14Å; A507-R514 PolarHBondContact O-NE 2.97Å; A507-R514 PolarHBondContact O-NH2 3.16Å; T511-R514 VanDerWaalsContact O-CB 3.31Å; T511-R514 WeakPolarHBondContact O-CB 3.44Å; T511-R514 PolarHBondContact O-N 2.97Å; P512-R514 PolarHBondContact O-N 3.1Å; P512-R514 VanDerWaalsContact O-N 3.13Å; R514-F518 WeakPolarHBondContact O-CB 3.42Å; R514-F518 PolarHBondContact O-N 3.39Å; R514-F576 HydrophobicContact CG-CE2 3.6Å; R514-F576 HydrophobicContact CG-CZ 3.69Å; R514-F576 VanDerWaalsContact NH1-CE1 3.33Å; R514-F576 VanDerWaalsContact NH1-CZ 3.27Å; R514-F576 PolarHBondContact NH1-O 3.04Å; R514-F576 PolarHBondContact NH2-O 3.37Å |
| 515 | E | 94.5 | Very high | 95.3 | Very high | 127 Ų | 127 | 64.6 Ų | 64.6 | 59% | 0.593 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -70.6 | -40.7 | -178.2 | -173.5 | 173 | -173.6 | 0 | 0 | 112.4 | A513 F518 N519 F576 | A513-E515 VanDerWaalsContact C-N 3.33Å; A513-E515 PolarHBondContact O-N 2.76Å; E515-F518 PolarHBondContact O-N 3.39Å; E515-N519 VanDerWaalsContact O-CG 3.32Å; E515-N519 PolarHBondContact O-N 2.97Å; E515-N519 PolarHBondContact O-ND2 3.33Å; E515-F576 HydrophobicContact CB-CZ 4.42Å |
| 516 | Q | 95.7 | Very high | 95.3 | Very high | 121 Ų | 121 | 68.3 Ų | 68.3 | 57% | 0.565 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -61.8 | -47.4 | 174.5 | -177.2 | 176.8 | 2.2 | 0 | 0 | 110.9 | A513 F518 N519 D520 | A513-Q516 HydrophobicContact CB-CB 4.3Å; A513-Q516 PolarHBondContact O-N 3.22Å; Q516-F518 VanDerWaalsContact C-N 3.33Å; Q516-F518 PolarHBondContact O-N 3.09Å; Q516-N519 PolarHBondContact O-N 3.08Å; Q516-D520 WeakPolarHBondContact O-CB 3.46Å; Q516-D520 PolarHBondContact O-N 3.19Å |
| 517 | N | 96.3 | Very high | 95.3 | Very high | 65 Ų | 65 | 67.9 Ų | 67.9 | 35% | 0.348 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.5 | -42.3 | 176.7 | -178.7 | 57 | 0 | 0 | 0 | 111.7 | A513 N519 D520 K521 | A513-N517 WeakPolarHBondContact O-CB 3.29Å; A513-N517 PolarHBondContact O-N 3.01Å; N517-N519 PolarHBondContact O-N 3.47Å; N517-D520 PolarHBondContact O-N 3.11Å; N517-K521 WeakPolarHBondContact O-CB 3.23Å; N517-K521 VanDerWaalsContact O-CG 3.24Å; N517-K521 WeakPolarHBondContact O-CG 3.5Å; N517-K521 PolarHBondContact O-N 3.26Å |
| 518 | F | 97.2 | Very high | 95.4 | Very high | 9 Ų | 9 | 67.8 Ų | 67.8 | 4% | 0.039 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -56.8 | -49.2 | 173.8 | 174.1 | -89.8 | 0 | 0 | 0 | 112.1 | F501 V505 R514 E515 Q516 K521 G522 K573 F576 | F501-F518 HydrophobicContact CE2-CD2 4.18Å; F501-F518 AromaticContact CE2-CE2 3.68Å; F501-F518 HydrophobicContact CE2-CE2 3.68Å; F501-F518 AromaticContact CE2-CZ 3.95Å; F501-F518 HydrophobicContact CE2-CZ 3.95Å; F501-F518 AromaticContact CZ-CE2 3.93Å; F501-F518 HydrophobicContact CZ-CE2 3.93Å; F501-F518 HydrophobicContact CZ-CZ 4.11Å; V505-F518 HydrophobicContact CG2-CD2 4.23Å; V505-F518 HydrophobicContact CG2-CE2 3.79Å; R514-F518 WeakPolarHBondContact O-CB 3.42Å; R514-F518 PolarHBondContact O-N 3.39Å; E515-F518 PolarHBondContact O-N 3.39Å; Q516-F518 VanDerWaalsContact C-N 3.33Å; Q516-F518 PolarHBondContact O-N 3.09Å; F518-K521 PolarHBondContact O-N 3.06Å; F518-G522 PolarHBondContact O-N 3.08Å; F518-K573 HydrophobicContact CE1-CB 4.22Å; F518-K573 HydrophobicContact CE1-CG 4.3Å; F518-K573 VanDerWaalsContact CZ-CA 3.48Å; F518-K573 HydrophobicContact CZ-CB 3.74Å; F518-K573 HydrophobicContact CZ-CG 4.25Å; F518-F576 HydrophobicContact CB-CD2 4.09Å; F518-F576 HydrophobicContact CB-CE2 3.66Å; F518-F576 HydrophobicContact CB-CZ 4.05Å; F518-F576 HydrophobicContact CD2-CB 4.09Å; F518-F576 AromaticContact CD2-CD2 3.51Å; F518-F576 HydrophobicContact CD2-CD2 3.51Å; F518-F576 AromaticContact CD2-CE2 4Å; F518-F576 HydrophobicContact CD2-CE2 4Å; F518-F576 AromaticContact CD2-CG 3.86Å; F518-F576 HydrophobicContact CD2-CG 3.86Å; F518-F576 HydrophobicContact CE2-CB 3.88Å; F518-F576 HydrophobicContact CE2-CD2 4.18Å; F518-F576 HydrophobicContact CE2-CG 4.12Å; F518-F576 AromaticContact CG-CD2 3.9Å; F518-F576 HydrophobicContact CG-CD2 3.9Å; F518-F576 AromaticContact CG-CE2 3.95Å; F518-F576 HydrophobicContact CG-CE2 3.95Å; F518-F576 HydrophobicContact CG-CG 4.23Å; F518-F576 HydrophobicContact CG-CZ 4.37Å; F518-F576 HydrophobicContact CZ-CB 4.48Å |
| 519 | N | 96.7 | Very high | 95.6 | Very high | 85 Ų | 85 | 63.3 Ų | 63.3 | 46% | 0.455 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.9 | -44.9 | -179.7 | -70.8 | -32.4 | 0 | 0 | 0 | 112.1 | E515 Q516 N517 K521 G522 Q523 | E515-N519 VanDerWaalsContact O-CG 3.32Å; E515-N519 PolarHBondContact O-N 2.97Å; E515-N519 PolarHBondContact O-ND2 3.33Å; Q516-N519 PolarHBondContact O-N 3.08Å; N517-N519 PolarHBondContact O-N 3.47Å; N519-K521 PolarHBondContact O-N 3.31Å; N519-G522 PolarHBondContact O-N 3.45Å; N519-Q523 WeakPolarHBondContact O-CB 3.36Å; N519-Q523 PolarHBondContact O-N 3.45Å |
| 520 | D | 97.6 | Very high | 95.8 | Very high | 91 Ų | 91 | 62 Ų | 62 | 49% | 0.487 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 179.4 | -67.9 | -14.5 | 0 | 0 | 0 | 111.2 | Q516 N517 N524 | Q516-D520 WeakPolarHBondContact O-CB 3.46Å; Q516-D520 PolarHBondContact O-N 3.19Å; N517-D520 PolarHBondContact O-N 3.11Å; D520-N524 WeakPolarHBondContact O-CB 3.39Å; D520-N524 PolarHBondContact O-N 2.99Å |
| 521 | K | 97.9 | Very high | 96 | Very high | 56 Ų | 56 | 63.5 Ų | 63.5 | 24% | 0.243 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -70.6 | -35.8 | 176.7 | -63.4 | -46.3 | -176.8 | 179 | 0 | 112.6 | Q500 F501 A504 N517 F518 N519 N524 L525 | Q500-K521 HydrophobicContact CB-CD 4.01Å; Q500-K521 HydrophobicContact CB-CG 4.43Å; F501-K521 HydrophobicContact CB-CB 4.44Å; F501-K521 HydrophobicContact CD2-CB 4.35Å; A504-K521 HydrophobicContact CB-CB 4.07Å; A504-K521 HydrophobicContact CB-CG 4Å; N517-K521 WeakPolarHBondContact O-CB 3.23Å; N517-K521 VanDerWaalsContact O-CG 3.24Å; N517-K521 WeakPolarHBondContact O-CG 3.5Å; N517-K521 PolarHBondContact O-N 3.26Å; F518-K521 PolarHBondContact O-N 3.06Å; N519-K521 PolarHBondContact O-N 3.31Å; K521-N524 PolarHBondContact O-N 3.29Å; K521-L525 WeakPolarHBondContact O-CB 3.12Å; K521-L525 PolarHBondContact O-N 2.88Å |
| 522 | G | 97.5 | Very high | 96.2 | Very high | 3 Ų | 3 | 60.7 Ų | 60.7 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F518 N519 L525 R526 I569 | F518-G522 PolarHBondContact O-N 3.08Å; N519-G522 PolarHBondContact O-N 3.45Å; G522-L525 PolarHBondContact O-N 3.38Å; G522-R526 PolarHBondContact O-N 3.33Å; G522-I569 WeakPolarHBondContact O-CD1 3.48Å |
| 523 | Q | 97.5 | Very high | 96.3 | Very high | 80 Ų | 80 | 55 Ų | 55 | 37% | 0.374 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.5 | -44.2 | 175.4 | -173.9 | 59.2 | 33.5 | 0 | 0 | 111.7 | N519 L525 R526 D527 | N519-Q523 WeakPolarHBondContact O-CB 3.36Å; N519-Q523 PolarHBondContact O-N 3.45Å; Q523-L525 VanDerWaalsContact C-N 3.32Å; Q523-L525 PolarHBondContact O-N 2.96Å; Q523-R526 WeakPolarHBondContact O-CB 3.41Å; Q523-R526 PolarHBondContact O-N 2.98Å; Q523-R526 VanDerWaalsContact O-N 3.13Å; Q523-D527 PolarHBondContact NE2-OD1 2.74Å; Q523-D527 PolarHBondContact NE2-OD2 3.07Å; Q523-D527 VanDerWaalsContact O-CG 3.3Å; Q523-D527 PolarHBondContact O-N 2.9Å |
| 524 | N | 97.5 | Very high | 96.2 | Very high | 60 Ų | 60 | 55.7 Ų | 55.7 | 32% | 0.321 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.9 | -40.9 | 176.4 | -177.9 | 46.1 | 0 | 0 | 0 | 112.5 | D520 K521 H528 | D520-N524 WeakPolarHBondContact O-CB 3.39Å; D520-N524 PolarHBondContact O-N 2.99Å; K521-N524 PolarHBondContact O-N 3.29Å; N524-H528 VanDerWaalsContact O-CB 3.31Å; N524-H528 WeakPolarHBondContact O-CB 3.41Å; N524-H528 PolarHBondContact O-N 3.06Å |
| 525 | L | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.9 | -46.4 | 173.7 | 176.4 | 61.3 | 0 | 0 | 0 | 111.1 | P497 L498 F501 K521 G522 Q523 D527 H528 C529 I569 | P497-L525 HydrophobicContact CB-CD1 4.27Å; L498-L525 HydrophobicContact CB-CD1 4.05Å; L498-L525 HydrophobicContact CD1-CD1 4.15Å; L498-L525 HydrophobicContact CD1-CD2 3.79Å; F501-L525 HydrophobicContact CB-CB 4.37Å; F501-L525 HydrophobicContact CB-CD2 3.97Å; F501-L525 HydrophobicContact CD1-CD2 3.57Å; F501-L525 HydrophobicContact CE1-CD2 4.27Å; F501-L525 HydrophobicContact CG-CD2 3.83Å; K521-L525 WeakPolarHBondContact O-CB 3.12Å; K521-L525 PolarHBondContact O-N 2.88Å; G522-L525 PolarHBondContact O-N 3.38Å; Q523-L525 VanDerWaalsContact C-N 3.32Å; Q523-L525 PolarHBondContact O-N 2.96Å; L525-D527 PolarHBondContact O-N 2.87Å; L525-H528 PolarHBondContact O-N 3.45Å; L525-C529 WeakPolarHBondContact O-CB 3.46Å; L525-C529 PolarHBondContact O-N 3.34Å; L525-C529 PolarHBondContact O-SG 3.43Å; L525-I569 HydrophobicContact CD2-CG1 4.4Å |
| 526 | R | 97.1 | Very high | 96.1 | Very high | 77 Ų | 77 | 48 Ų | 48 | 29% | 0.291 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -56.5 | -51.7 | 177.7 | -176.5 | -179 | -68.4 | 118.3 | -0.4 | 111.6 | G522 Q523 H528 C529 Q530 T565 I569 | G522-R526 PolarHBondContact O-N 3.33Å; Q523-R526 WeakPolarHBondContact O-CB 3.41Å; Q523-R526 PolarHBondContact O-N 2.98Å; Q523-R526 VanDerWaalsContact O-N 3.13Å; R526-H528 VanDerWaalsContact C-N 3.33Å; R526-H528 PolarHBondContact O-N 3.12Å; R526-C529 PolarHBondContact O-N 3.47Å; R526-Q530 WeakPolarHBondContact O-CB 3.19Å; R526-Q530 VanDerWaalsContact O-CG 3.27Å; R526-Q530 WeakPolarHBondContact O-CG 3.33Å; R526-Q530 PolarHBondContact O-N 3.46Å; R526-T565 HydrophobicContact CB-CG2 4.49Å; R526-I569 HydrophobicContact CB-CD1 3.96Å |
| 527 | D | 96.3 | Very high | 95.8 | Very high | 57 Ų | 57 | 45.9 Ų | 45.9 | 31% | 0.305 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.7 | -40.3 | -178.2 | -64.2 | -21.9 | 0 | 0 | 0 | 111.4 | Q523 L525 R531 | Q523-D527 PolarHBondContact NE2-OD1 2.74Å; Q523-D527 PolarHBondContact NE2-OD2 3.07Å; Q523-D527 VanDerWaalsContact O-CG 3.3Å; Q523-D527 PolarHBondContact O-N 2.9Å; L525-D527 PolarHBondContact O-N 2.87Å; D527-R531 WeakPolarHBondContact O-CG 3.39Å; D527-R531 PolarHBondContact O-N 2.7Å; D527-R531 VanDerWaalsContact O-N 3.07Å; D527-R531 PolarHBondContact O-NH1 3.46Å |
| 528 | H | 97 | Very high | 95.5 | Very high | 11 Ų | 11 | 43.1 Ų | 43.1 | 5% | 0.051 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.6 | -52 | 176.3 | 173 | 70.6 | 0 | 0 | 0 | 112.1 | D490 D493 P497 N524 L525 R526 Q530 R531 C532 | D490-H528 PolarHBondContact O-CE1 3.28Å; D493-H528 PolarHBondContact O-CE1 3.06Å; D493-H528 PolarHBondContact O-NE2 3.4Å; P497-H528 HydrophobicContact CB-CB 4.14Å; P497-H528 HydrophobicContact CG-CB 4.09Å; N524-H528 VanDerWaalsContact O-CB 3.31Å; N524-H528 WeakPolarHBondContact O-CB 3.41Å; N524-H528 PolarHBondContact O-N 3.06Å; L525-H528 PolarHBondContact O-N 3.45Å; R526-H528 VanDerWaalsContact C-N 3.33Å; R526-H528 PolarHBondContact O-N 3.12Å; H528-Q530 VanDerWaalsContact C-N 3.27Å; H528-Q530 PolarHBondContact O-N 2.94Å; H528-R531 PolarHBondContact O-N 3.22Å; H528-R531 VanDerWaalsContact O-N 3.16Å; H528-C532 PolarHBondContact CE1-SG 3.15Å; H528-C532 PolarHBondContact O-N 2.94Å; H528-C532 PolarHBondContact O-SG 3.43Å; H528-C532 VanDerWaalsContact O-SG 3.4Å |
| 529 | C | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.2 | -35.5 | 179.6 | -71.3 | 0 | 0 | 0 | 0 | 112.2 | L525 R526 A533 V561 T565 | L525-C529 WeakPolarHBondContact O-CB 3.46Å; L525-C529 PolarHBondContact O-N 3.34Å; L525-C529 PolarHBondContact O-SG 3.43Å; R526-C529 PolarHBondContact O-N 3.47Å; C529-A533 VanDerWaalsContact O-CB 3.27Å; C529-A533 WeakPolarHBondContact O-CB 3.43Å; C529-A533 PolarHBondContact O-N 3.35Å; C529-V561 HydrophobicContact CB-CG1 3.93Å; C529-T565 HydrophobicContact CB-CG2 3.83Å; C529-T565 WeakPolarHBondContact CB-OG1 3.24Å |
| 530 | Q | 94.8 | Very high | 94.8 | Very high | 107 Ų | 107 | 38.8 Ų | 38.8 | 50% | 0.5 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -64.3 | -42.7 | 174.2 | -76.7 | 177.7 | -9.1 | 0 | 0 | 112.4 | R526 H528 A533 H534 | R526-Q530 WeakPolarHBondContact O-CB 3.19Å; R526-Q530 VanDerWaalsContact O-CG 3.27Å; R526-Q530 WeakPolarHBondContact O-CG 3.33Å; R526-Q530 PolarHBondContact O-N 3.46Å; H528-Q530 VanDerWaalsContact C-N 3.27Å; H528-Q530 PolarHBondContact O-N 2.94Å; Q530-A533 PolarHBondContact O-N 3.43Å; Q530-H534 VanDerWaalsContact O-CB 3.29Å; Q530-H534 WeakPolarHBondContact O-CB 3.33Å; Q530-H534 PolarHBondContact O-N 3.15Å |
| 531 | R | 94.9 | Very high | 94.2 | Very high | 110 Ų | 110 | 36.3 Ų | 36.3 | 42% | 0.415 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -62.9 | -48.9 | 173.8 | -72.2 | -166.8 | -56.2 | -82.3 | 4 | 111.8 | D490 D527 H528 A533 H534 T535 | D490-R531 IonicContact OD1-NE 3.97Å; D527-R531 WeakPolarHBondContact O-CG 3.39Å; D527-R531 PolarHBondContact O-N 2.7Å; D527-R531 VanDerWaalsContact O-N 3.07Å; D527-R531 PolarHBondContact O-NH1 3.46Å; H528-R531 PolarHBondContact O-N 3.22Å; H528-R531 VanDerWaalsContact O-N 3.16Å; R531-A533 VanDerWaalsContact C-N 3.33Å; R531-A533 PolarHBondContact O-N 3.03Å; R531-H534 PolarHBondContact O-N 3.45Å; R531-H534 VanDerWaalsContact O-N 3.15Å; R531-T535 WeakPolarHBondContact O-CB 3.46Å; R531-T535 PolarHBondContact O-N 2.99Å; R531-T535 PolarHBondContact O-OG1 2.88Å |
| 532 | C | 96.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.9 | -45.5 | 176.4 | -67.6 | 0 | 0 | 0 | 0 | 112.1 | D490 F491 H528 G536 L599 | D490-C532 PolarHBondContact O-SG 3.42Å; D490-C532 VanDerWaalsContact O-SG 3.38Å; F491-C532 HydrophobicContact CE1-CB 4.26Å; F491-C532 HydrophobicContact CZ-CB 4.17Å; F491-C532 WeakPolarHBondContact CZ-O 3.26Å; H528-C532 PolarHBondContact CE1-SG 3.15Å; H528-C532 PolarHBondContact O-N 2.94Å; H528-C532 PolarHBondContact O-SG 3.43Å; H528-C532 VanDerWaalsContact O-SG 3.4Å; C532-G536 PolarHBondContact O-N 3.26Å; C532-L599 HydrophobicContact CB-CD2 4.2Å |
| 533 | A | 93.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.5 | -41.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | C529 Q530 R531 R537 A558 V561 A562 | C529-A533 VanDerWaalsContact O-CB 3.27Å; C529-A533 WeakPolarHBondContact O-CB 3.43Å; C529-A533 PolarHBondContact O-N 3.35Å; Q530-A533 PolarHBondContact O-N 3.43Å; R531-A533 VanDerWaalsContact C-N 3.33Å; R531-A533 PolarHBondContact O-N 3.03Å; A533-R537 WeakPolarHBondContact O-CG 3.31Å; A533-R537 PolarHBondContact O-N 2.97Å; A533-A558 HydrophobicContact CB-CB 4.32Å; A533-A558 VanDerWaalsContact CB-O 3.3Å; A533-A558 WeakPolarHBondContact CB-O 3.37Å; A533-A558 WeakPolarHBondContact O-CB 3.38Å; A533-V561 HydrophobicContact CB-CB 4.43Å; A533-V561 HydrophobicContact CB-CG1 4.37Å; A533-A562 HydrophobicContact CB-CB 4.23Å |
| 534 | H | 92.2 | Very high | 92.3 | Very high | 75 Ų | 75 | 32.7 Ų | 32.7 | 35% | 0.347 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -63.7 | -49.2 | 177.1 | 178.9 | 65.2 | 0 | 0 | 0 | 111.8 | Q530 R531 G536 R537 L538 | Q530-H534 VanDerWaalsContact O-CB 3.29Å; Q530-H534 WeakPolarHBondContact O-CB 3.33Å; Q530-H534 PolarHBondContact O-N 3.15Å; R531-H534 PolarHBondContact O-N 3.45Å; R531-H534 VanDerWaalsContact O-N 3.15Å; H534-G536 PolarHBondContact O-N 3.43Å; H534-R537 PolarHBondContact O-N 3.25Å; H534-L538 WeakPolarHBondContact NE2-CD1 3.41Å; H534-L538 PolarHBondContact O-N 3.38Å |
| 535 | T | 94.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.5 | -40.9 | 177.6 | -64.3 | 0 | 0 | 0 | 0 | 111.4 | R486 V487 D490 F491 R531 R537 L538 V539 | R486-T535 HydrophobicContact CB-CG2 3.8Å; V487-T535 HydrophobicContact CG2-CG2 4Å; D490-T535 PolarHBondContact OD2-OG1 3.24Å; F491-T535 HydrophobicContact CD2-CG2 4.41Å; F491-T535 HydrophobicContact CE2-CG2 3.94Å; R531-T535 WeakPolarHBondContact O-CB 3.46Å; R531-T535 PolarHBondContact O-N 2.99Å; R531-T535 PolarHBondContact O-OG1 2.88Å; T535-R537 VanDerWaalsContact C-N 3.34Å; T535-R537 PolarHBondContact O-N 3.02Å; T535-L538 PolarHBondContact O-N 2.85Å; T535-L538 VanDerWaalsContact O-N 3.17Å; T535-V539 WeakPolarHBondContact O-CG2 3.36Å; T535-V539 PolarHBondContact O-N 3.45Å |
| 536 | G | 92.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.5 | -41.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | C532 H534 V539 G540 | C532-G536 PolarHBondContact O-N 3.26Å; H534-G536 PolarHBondContact O-N 3.43Å; G536-V539 PolarHBondContact O-N 2.83Å; G536-G540 PolarHBondContact O-N 3.4Å |
| 537 | R | 90.2 | Very high | 89.1 | Confident | 76 Ų | 76 | 36.7 Ų | 36.7 | 29% | 0.287 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -64.7 | -44.4 | 172.3 | -74.7 | -170.7 | -64 | -87.7 | -4.9 | 112.1 | A533 H534 T535 V539 G540 T541 A558 N559 | A533-R537 WeakPolarHBondContact O-CG 3.31Å; A533-R537 PolarHBondContact O-N 2.97Å; H534-R537 PolarHBondContact O-N 3.25Å; T535-R537 VanDerWaalsContact C-N 3.34Å; T535-R537 PolarHBondContact O-N 3.02Å; R537-V539 VanDerWaalsContact C-N 3.27Å; R537-V539 PolarHBondContact O-N 3.12Å; R537-G540 PolarHBondContact O-N 3.2Å; R537-G540 VanDerWaalsContact O-N 3.1Å; R537-T541 PolarHBondContact O-N 2.95Å; R537-T541 PolarHBondContact O-OG1 3.47Å; R537-A558 HydrophobicContact CG-CB 3.69Å; R537-N559 PolarHBondContact NH1-OD1 3.45Å |
| 538 | L | 90.4 | Very high | 87.9 | Confident | 8 Ų | 8 | 36.1 Ų | 36.1 | 4% | 0.042 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.9 | -35.7 | 176.6 | -73.2 | 176.1 | 0 | 0 | 0 | 112.1 | M421 L424 L483 H534 T535 G540 T541 A542 G543 | M421-L538 HydrophobicContact CG-CD2 4.3Å; L424-L538 HydrophobicContact CD1-CD1 3.67Å; L483-L538 HydrophobicContact CD1-CB 3.65Å; H534-L538 WeakPolarHBondContact NE2-CD1 3.41Å; H534-L538 PolarHBondContact O-N 3.38Å; T535-L538 PolarHBondContact O-N 2.85Å; T535-L538 VanDerWaalsContact O-N 3.17Å; L538-G540 VanDerWaalsContact C-N 3.32Å; L538-T541 PolarHBondContact O-N 3.31Å; L538-A542 WeakPolarHBondContact O-CA 3.23Å; L538-A542 VanDerWaalsContact O-CB 3.29Å; L538-A542 WeakPolarHBondContact O-CB 3.39Å; L538-A542 PolarHBondContact O-N 3.34Å; L538-G543 PolarHBondContact O-N 2.86Å |
| 539 | V | 92 | Very high | 86.9 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.9 | -39.8 | 174.5 | 175 | 0 | 0 | 0 | 0 | 111 | L483 V487 T535 G536 R537 G543 L554 V606 A609 | L483-V539 HydrophobicContact CD1-CG2 3.72Å; L483-V539 HydrophobicContact CD2-CG2 4.26Å; L483-V539 HydrophobicContact CG-CG2 4.08Å; V487-V539 HydrophobicContact CG2-CG2 3.47Å; V487-V539 VanDerWaalsContact CG2-CG2 3.47Å; T535-V539 WeakPolarHBondContact O-CG2 3.36Å; T535-V539 PolarHBondContact O-N 3.45Å; G536-V539 PolarHBondContact O-N 2.83Å; R537-V539 VanDerWaalsContact C-N 3.27Å; R537-V539 PolarHBondContact O-N 3.12Å; V539-G543 VanDerWaalsContact O-CA 3.23Å; V539-G543 WeakPolarHBondContact O-CA 3.3Å; V539-G543 PolarHBondContact O-N 3.38Å; V539-G543 VanDerWaalsContact O-N 3.09Å; V539-L554 HydrophobicContact CB-CD1 4.39Å; V539-L554 HydrophobicContact CG1-CD1 3.9Å; V539-V606 HydrophobicContact CB-CG2 4.35Å; V539-V606 HydrophobicContact CG1-CG2 4.5Å; V539-V606 HydrophobicContact CG2-CG1 4.12Å; V539-V606 HydrophobicContact CG2-CG2 4.26Å; V539-A609 HydrophobicContact CG1-CB 3.52Å |
| 540 | G | 86.5 | Confident | 86.2 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.5 | -43.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | G536 R537 L538 V551 | G536-G540 PolarHBondContact O-N 3.4Å; R537-G540 PolarHBondContact O-N 3.2Å; R537-G540 VanDerWaalsContact O-N 3.1Å; L538-G540 VanDerWaalsContact C-N 3.32Å; G540-V551 WeakPolarHBondContact O-CG1 3.29Å; G540-V551 WeakPolarHBondContact O-CG2 3.49Å |
| 541 | T | 84.6 | Confident | 85.5 | Confident | 39 Ų | 39 | 35.8 Ų | 35.8 | 24% | 0.239 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -90.8 | -31.1 | -173.1 | 60.5 | 0 | 0 | 0 | 0 | 114.1 | T384 V385 R537 L538 | T384-T541 CarbonylContact C-O 3.55Å; T384-T541 WeakPolarHBondContact CA-O 3.37Å; T384-T541 WeakPolarHBondContact CB-O 3.3Å; V385-T541 PolarHBondContact N-O 2.95Å; R537-T541 PolarHBondContact O-N 2.95Å; R537-T541 PolarHBondContact O-OG1 3.47Å; L538-T541 PolarHBondContact O-N 3.31Å |
| 542 | A | 87.4 | Confident | 84.7 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.008 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -115.6 | -10.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | V385 M421 L538 | V385-A542 HydrophobicContact CB-CB 4.4Å; V385-A542 HydrophobicContact CG2-CB 3.75Å; M421-A542 HydrophobicContact CE-CB 4.4Å; M421-A542 HydrophobicContact SD-CB 3.78Å; L538-A542 WeakPolarHBondContact O-CA 3.23Å; L538-A542 VanDerWaalsContact O-CB 3.29Å; L538-A542 WeakPolarHBondContact O-CB 3.39Å; L538-A542 PolarHBondContact O-N 3.34Å |
| 543 | G | 84.9 | Confident | 84.1 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 4% | 0.041 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -73 | 176.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L538 V539 C545 | L538-G543 PolarHBondContact O-N 2.86Å; V539-G543 VanDerWaalsContact O-CA 3.23Å; V539-G543 WeakPolarHBondContact O-CA 3.3Å; V539-G543 PolarHBondContact O-N 3.38Å; V539-G543 VanDerWaalsContact O-N 3.09Å; G543-C545 VanDerWaalsContact C-N 3.29Å; G543-C545 PolarHBondContact O-N 2.96Å |
| 544 | P | 81.4 | Confident | 83.9 | Confident | 59 Ų | 59 | 37.6 Ų | 37.6 | 38% | 0.383 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -79.2 | -10.7 | -179.4 | 32.6 | -35.1 | 0 | 0 | 0 | 113.4 | K546 | P544-K546 PolarHBondContact O-N 2.92Š|
| 545 | C | 80.4 | Confident | 83.6 | Confident | 18 Ų | 18 | 35.6 Ų | 35.6 | 12% | 0.122 | 18% | 0.183 | C | C | . | . | trans | -66.6 | 128.6 | -177.3 | -169.5 | 0 | 0 | 0 | 0 | 111.4 | G543 A609 | G543-C545 VanDerWaalsContact C-N 3.29Å; G543-C545 PolarHBondContact O-N 2.96Å; C545-A609 HydrophobicContact CB-CB 3.86Å | ||
| 546 | K | 73.2 | Confident | 83.2 | Confident | 127 Ų | 127 | 38.3 Ų | 38.3 | 55% | 0.552 | 20% | 0.202 | S | C | * | . | trans | -98.4 | -8.1 | 176.1 | -60.2 | -162.1 | 177.8 | -149.6 | 0 | 113.6 | L386 E390 P544 K548 | L386-K546 HydrophobicContact CD1-CD 4.43Å; L386-K546 HydrophobicContact CD1-CG 4.05Å; L386-K546 HydrophobicContact CD2-CD 3.98Å; L386-K546 HydrophobicContact CD2-CG 3.94Å; E390-K546 IonicContact OE1-NZ 2.64Å; E390-K546 PolarHBondContact OE1-NZ 3.36Å; P544-K546 PolarHBondContact O-N 2.92Å; K546-K548 PolarHBondContact O-N 2.6Å | ||
| 547 | D | 72 | Confident | 83.1 | Confident | 75 Ų | 75 | 38.9 Ų | 38.9 | 40% | 0.401 | 21% | 0.206 | S | C | . | . | trans | -78.9 | 109.5 | -175.6 | -171.6 | -26.8 | 0 | 0 | 0 | 110 | K549 I550 V551 | D547-K549 PolarHBondContact O-N 2.85Å; D547-K549 WeakPolarHBondContact OD1-CB 3.37Å; D547-K549 PolarHBondContact OD1-N 2.8Å; D547-I550 HydrophobicContact CB-CB 4.12Å; D547-I550 HydrophobicContact CB-CD1 3.87Å; D547-I550 HydrophobicContact CB-CG1 3.92Å; D547-I550 PolarHBondContact O-N 3.1Å; D547-I550 VanDerWaalsContact O-N 3.12Å; D547-V551 WeakPolarHBondContact O-CG2 3.49Å; D547-V551 PolarHBondContact O-N 3.31Å | ||
| 548 | K | 70.7 | Confident | 83.1 | Confident | 45 Ų | 45 | 35.3 Ų | 35.3 | 20% | 0.196 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -53.4 | -40.8 | 178.8 | 178.2 | 174.2 | 169 | 170.7 | 0 | 111.6 | D252 D257 K546 I550 V551 E552 | D252-K548 PolarHBondContact O-NZ 3.5Å; D252-K548 VanDerWaalsContact O-NZ 3.17Å; D257-K548 IonicContact OD1-NZ 2.66Å; D257-K548 PolarHBondContact OD1-NZ 3.02Å; D257-K548 WeakPolarHBondContact OD2-CE 3.44Å; D257-K548 IonicContact OD2-NZ 3.67Å; D257-K548 PolarHBondContact OD2-NZ 3.44Å; K546-K548 PolarHBondContact O-N 2.6Å; K548-I550 VanDerWaalsContact C-N 3.35Å; K548-I550 PolarHBondContact O-N 2.73Å; K548-V551 PolarHBondContact O-N 3.37Å; K548-E552 WeakPolarHBondContact CE-OE1 3.41Å; K548-E552 HydrophobicContact CG-CG 4.35Å; K548-E552 WeakPolarHBondContact O-CB 3.36Å; K548-E552 WeakPolarHBondContact O-CG 3.45Å; K548-E552 PolarHBondContact O-N 2.92Å |
| 549 | K | 74.6 | Confident | 82.9 | Confident | 70 Ų | 70 | 38.5 Ų | 38.5 | 30% | 0.304 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.3 | -40.8 | -179.3 | -64.3 | -172.8 | 175.5 | -168.5 | 0 | 111.5 | E188 D547 S553 | E188-K549 IonicContact OE1-NZ 2.82Å; E188-K549 IonicContact OE2-NZ 2.74Å; E188-K549 PolarHBondContact OE2-NZ 3.3Å; D547-K549 PolarHBondContact O-N 2.85Å; D547-K549 WeakPolarHBondContact OD1-CB 3.37Å; D547-K549 PolarHBondContact OD1-N 2.8Å; K549-S553 WeakPolarHBondContact O-CB 3.36Å; K549-S553 PolarHBondContact O-N 2.93Å; K549-S553 PolarHBondContact O-OG 2.79Å |
| 550 | I | 82.3 | Confident | 82.8 | Confident | 36 Ų | 36 | 40.8 Ų | 40.8 | 19% | 0.185 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.7 | -44.5 | 177.6 | -62.1 | 179.9 | 0 | 0 | 0 | 110 | D547 K548 S553 L554 A609 | D547-I550 HydrophobicContact CB-CB 4.12Å; D547-I550 HydrophobicContact CB-CD1 3.87Å; D547-I550 HydrophobicContact CB-CG1 3.92Å; D547-I550 PolarHBondContact O-N 3.1Å; D547-I550 VanDerWaalsContact O-N 3.12Å; K548-I550 VanDerWaalsContact C-N 3.35Å; K548-I550 PolarHBondContact O-N 2.73Å; I550-S553 PolarHBondContact O-N 2.85Å; I550-L554 HydrophobicContact CG2-CD1 3.96Å; I550-L554 HydrophobicContact CG2-CG 4.35Å; I550-L554 WeakPolarHBondContact O-CB 3.46Å; I550-L554 WeakPolarHBondContact O-CG 3.28Å; I550-L554 PolarHBondContact O-N 2.86Å; I550-A609 HydrophobicContact CG2-CB 4.22Å |
| 551 | V | 81.9 | Confident | 83.1 | Confident | 5 Ų | 5 | 40.7 Ų | 40.7 | 3% | 0.03 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.4 | -46.5 | 178.5 | 170.3 | 0 | 0 | 0 | 0 | 111.9 | T384 G540 D547 K548 L554 C555 | T384-V551 HydrophobicContact CG2-CG1 4.25Å; G540-V551 WeakPolarHBondContact O-CG1 3.29Å; G540-V551 WeakPolarHBondContact O-CG2 3.49Å; D547-V551 WeakPolarHBondContact O-CG2 3.49Å; D547-V551 PolarHBondContact O-N 3.31Å; K548-V551 PolarHBondContact O-N 3.37Å; V551-L554 WeakPolarHBondContact O-CB 3.47Å; V551-L554 PolarHBondContact O-N 3.46Å; V551-C555 PolarHBondContact O-N 3.29Å; V551-C555 PolarHBondContact O-SG 3.01Å; V551-C555 VanDerWaalsContact O-SG 3.33Å |
| 552 | E | 76.6 | Confident | 83.4 | Confident | 96 Ų | 96 | 40.3 Ų | 40.3 | 45% | 0.449 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.8 | -43.5 | 176.6 | -73.3 | 176.5 | 175.6 | 0 | 0 | 111.8 | K548 L554 C555 S556 | K548-E552 WeakPolarHBondContact CE-OE1 3.41Å; K548-E552 HydrophobicContact CG-CG 4.35Å; K548-E552 WeakPolarHBondContact O-CB 3.36Å; K548-E552 WeakPolarHBondContact O-CG 3.45Å; K548-E552 PolarHBondContact O-N 2.92Å; E552-L554 VanDerWaalsContact C-N 3.34Å; E552-L554 PolarHBondContact O-N 2.92Å; E552-C555 PolarHBondContact O-N 3.3Å; E552-S556 VanDerWaalsContact O-CB 3.26Å; E552-S556 WeakPolarHBondContact O-CB 3.49Å; E552-S556 PolarHBondContact O-N 3.44Å |
| 553 | S | 85.3 | Confident | 83.4 | Confident | 52 Ų | 52 | 43.7 Ų | 43.7 | 36% | 0.364 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.2 | -39.9 | 177.5 | -63.4 | 0 | 0 | 0 | 0 | 111.8 | K549 I550 T557 | K549-S553 WeakPolarHBondContact O-CB 3.36Å; K549-S553 PolarHBondContact O-N 2.93Å; K549-S553 PolarHBondContact O-OG 2.79Å; I550-S553 PolarHBondContact O-N 2.85Å; S553-T557 WeakPolarHBondContact O-CB 3.46Å; S553-T557 PolarHBondContact O-N 3.08Å; S553-T557 PolarHBondContact O-OG1 2.89Å |
| 554 | L | 89.1 | Confident | 83.8 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.6 | -52.5 | 173.6 | -83.6 | 167.4 | 0 | 0 | 0 | 111 | V539 I550 V551 E552 T557 A558 L602 L605 V606 A609 | V539-L554 HydrophobicContact CB-CD1 4.39Å; V539-L554 HydrophobicContact CG1-CD1 3.9Å; I550-L554 HydrophobicContact CG2-CD1 3.96Å; I550-L554 HydrophobicContact CG2-CG 4.35Å; I550-L554 WeakPolarHBondContact O-CB 3.46Å; I550-L554 WeakPolarHBondContact O-CG 3.28Å; I550-L554 PolarHBondContact O-N 2.86Å; V551-L554 WeakPolarHBondContact O-CB 3.47Å; V551-L554 PolarHBondContact O-N 3.46Å; E552-L554 VanDerWaalsContact C-N 3.34Å; E552-L554 PolarHBondContact O-N 2.92Å; L554-T557 PolarHBondContact O-N 3.5Å; L554-A558 WeakPolarHBondContact O-CB 3.47Å; L554-A558 PolarHBondContact O-N 3.31Å; L554-L602 HydrophobicContact CD2-CD1 4.19Å; L554-L605 HydrophobicContact CD2-CB 3.49Å; L554-L605 VanDerWaalsContact CD2-CB 3.49Å; L554-L605 HydrophobicContact CG-CB 3.91Å; L554-V606 HydrophobicContact CD2-CB 4.45Å; L554-V606 HydrophobicContact CD2-CG2 3.6Å; L554-A609 HydrophobicContact CD1-CB 3.96Å |
| 555 | C | 85.8 | Confident | 84.4 | Confident | 33 Ų | 33 | 41.5 Ų | 41.5 | 22% | 0.223 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.4 | -45.7 | -179.5 | -69.8 | 0 | 0 | 0 | 0 | 112 | V551 E552 A558 N559 | V551-C555 PolarHBondContact O-N 3.29Å; V551-C555 PolarHBondContact O-SG 3.01Å; V551-C555 VanDerWaalsContact O-SG 3.33Å; E552-C555 PolarHBondContact O-N 3.3Å; C555-A558 PolarHBondContact O-N 3.49Å; C555-N559 WeakPolarHBondContact O-CB 3.36Å; C555-N559 VanDerWaalsContact O-CG 3.24Å; C555-N559 PolarHBondContact O-N 2.9Å; C555-N559 PolarHBondContact O-ND2 3.42Å |
| 556 | S | 85.3 | Confident | 85.1 | Confident | 58 Ų | 58 | 43 Ų | 43 | 41% | 0.406 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.9 | -49.4 | 177.9 | -177.3 | 0 | 0 | 0 | 0 | 111.5 | E552 A558 N559 Q560 | E552-S556 VanDerWaalsContact O-CB 3.26Å; E552-S556 WeakPolarHBondContact O-CB 3.49Å; E552-S556 PolarHBondContact O-N 3.44Å; S556-A558 PolarHBondContact O-N 3.38Å; S556-N559 PolarHBondContact O-N 3.38Å; S556-Q560 WeakPolarHBondContact O-CG 3.13Å; S556-Q560 PolarHBondContact O-N 3.43Å |
| 557 | T | 90.2 | Very high | 86.1 | Confident | 13 Ų | 13 | 37.9 Ų | 37.9 | 8% | 0.08 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.4 | -39.8 | -179.9 | -52.8 | 0 | 0 | 0 | 0 | 111.4 | S553 L554 N559 Q560 V561 T598 R601 L602 L605 | S553-T557 WeakPolarHBondContact O-CB 3.46Å; S553-T557 PolarHBondContact O-N 3.08Å; S553-T557 PolarHBondContact O-OG1 2.89Å; L554-T557 PolarHBondContact O-N 3.5Å; T557-N559 VanDerWaalsContact C-N 3.33Å; T557-N559 PolarHBondContact O-N 3.4Å; T557-Q560 WeakPolarHBondContact O-CB 3.3Å; T557-Q560 PolarHBondContact O-N 2.81Å; T557-V561 WeakPolarHBondContact O-CG2 3.35Å; T557-V561 PolarHBondContact O-N 2.94Å; T557-T598 HydrophobicContact CG2-CG2 3.85Å; T557-R601 HydrophobicContact CG2-CB 4.25Å; T557-L602 HydrophobicContact CG2-CB 3.85Å; T557-L602 HydrophobicContact CG2-CD1 4.33Å; T557-L605 WeakPolarHBondContact OG1-CD1 3.45Å |
| 558 | A | 90.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.3 | -40.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A533 R537 L554 C555 S556 V561 A562 L602 | A533-A558 HydrophobicContact CB-CB 4.32Å; A533-A558 VanDerWaalsContact CB-O 3.3Å; A533-A558 WeakPolarHBondContact CB-O 3.37Å; A533-A558 WeakPolarHBondContact O-CB 3.38Å; R537-A558 HydrophobicContact CG-CB 3.69Å; L554-A558 WeakPolarHBondContact O-CB 3.47Å; L554-A558 PolarHBondContact O-N 3.31Å; C555-A558 PolarHBondContact O-N 3.49Å; S556-A558 PolarHBondContact O-N 3.38Å; A558-V561 PolarHBondContact O-N 3.02Å; A558-A562 PolarHBondContact O-N 3.41Å; A558-L602 HydrophobicContact CB-CD1 4.06Å; A558-L602 HydrophobicContact CB-CD2 4.43Å |
| 559 | N | 86.6 | Confident | 88.5 | Confident | 75 Ų | 75 | 32.8 Ų | 32.8 | 40% | 0.401 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -67.6 | -36 | 174.8 | -70.2 | -21.2 | 0 | 0 | 0 | 112 | R537 C555 S556 T557 A562 N563 | R537-N559 PolarHBondContact NH1-OD1 3.45Å; C555-N559 WeakPolarHBondContact O-CB 3.36Å; C555-N559 VanDerWaalsContact O-CG 3.24Å; C555-N559 PolarHBondContact O-N 2.9Å; C555-N559 PolarHBondContact O-ND2 3.42Å; S556-N559 PolarHBondContact O-N 3.38Å; T557-N559 VanDerWaalsContact C-N 3.33Å; T557-N559 PolarHBondContact O-N 3.4Å; N559-A562 PolarHBondContact O-N 2.87Å; N559-N563 WeakPolarHBondContact O-CB 3.46Å; N559-N563 VanDerWaalsContact O-CG 3.24Å; N559-N563 PolarHBondContact O-N 3.09Å; N559-N563 PolarHBondContact O-OD1 3.01Å |
| 560 | Q | 89.5 | Confident | 89.5 | Confident | 49 Ų | 49 | 30.4 Ų | 30.4 | 23% | 0.229 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.8 | -45.8 | 172.5 | -69.6 | 175.6 | 19.6 | 0 | 0 | 111.8 | S556 T557 A562 N563 M564 T598 | S556-Q560 WeakPolarHBondContact O-CG 3.13Å; S556-Q560 PolarHBondContact O-N 3.43Å; T557-Q560 WeakPolarHBondContact O-CB 3.3Å; T557-Q560 PolarHBondContact O-N 2.81Å; Q560-A562 VanDerWaalsContact C-N 3.34Å; Q560-A562 PolarHBondContact O-N 3.42Å; Q560-N563 PolarHBondContact O-N 3.17Å; Q560-M564 WeakPolarHBondContact O-CB 3.31Å; Q560-M564 PolarHBondContact O-N 3.02Å; Q560-T598 HydrophobicContact CB-CG2 3.97Å |
| 561 | V | 93.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -56.6 | -49 | 174.6 | 172.5 | 0 | 0 | 0 | 0 | 110.5 | C529 A533 T557 A558 N563 M564 T565 L595 T598 L599 L602 | C529-V561 HydrophobicContact CB-CG1 3.93Å; A533-V561 HydrophobicContact CB-CB 4.43Å; A533-V561 HydrophobicContact CB-CG1 4.37Å; T557-V561 WeakPolarHBondContact O-CG2 3.35Å; T557-V561 PolarHBondContact O-N 2.94Å; A558-V561 PolarHBondContact O-N 3.02Å; V561-N563 PolarHBondContact O-N 3.37Å; V561-M564 PolarHBondContact O-N 3.09Å; V561-T565 WeakPolarHBondContact O-CB 3.46Å; V561-T565 PolarHBondContact O-N 3.37Å; V561-T565 VanDerWaalsContact O-N 3.1Å; V561-T565 PolarHBondContact O-OG1 3.31Å; V561-L595 HydrophobicContact CG1-CD1 4.39Å; V561-T598 HydrophobicContact CG2-CG2 3.64Å; V561-L599 HydrophobicContact CG1-CD2 3.7Å; V561-L599 HydrophobicContact CG1-CG 4.39Å; V561-L599 HydrophobicContact CG2-CD2 4.09Å; V561-L599 HydrophobicContact CG2-CG 4.39Å; V561-L602 HydrophobicContact CG2-CD2 4.01Å |
| 562 | A | 90.6 | Very high | 90.8 | Very high | 30 Ų | 30 | 28.5 Ų | 28.5 | 25% | 0.248 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61 | -43.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A533 A558 N559 Q560 P566 | A533-A562 HydrophobicContact CB-CB 4.23Å; A558-A562 PolarHBondContact O-N 3.41Å; N559-A562 PolarHBondContact O-N 2.87Å; Q560-A562 VanDerWaalsContact C-N 3.34Å; Q560-A562 PolarHBondContact O-N 3.42Å; A562-P566 WeakPolarHBondContact O-CD 3.46Å |
| 563 | N | 87.5 | Confident | 91.7 | Very high | 73 Ų | 73 | 27.4 Ų | 27.4 | 39% | 0.39 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -76.8 | -30.1 | -177.2 | -68 | -1.9 | 0 | 0 | 0 | 113.4 | Y228 R232 N559 Q560 V561 | Y228-N563 HydrophobicContact CE2-CB 3.91Å; R232-N563 PolarHBondContact NH1-ND2 3.04Å; N559-N563 WeakPolarHBondContact O-CB 3.46Å; N559-N563 VanDerWaalsContact O-CG 3.24Å; N559-N563 PolarHBondContact O-N 3.09Å; N559-N563 PolarHBondContact O-OD1 3.01Å; Q560-N563 PolarHBondContact O-N 3.17Å; V561-N563 PolarHBondContact O-N 3.37Å |
| 564 | M | 92.7 | Very high | 92.1 | Very high | 13 Ų | 13 | 25 Ų | 25 | 6% | 0.064 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -85 | -26.1 | -177.4 | -163.6 | 165.6 | 63.6 | 0 | 0 | 112.9 | Y228 Q560 V561 Q567 V568 E594 L595 T598 | Y228-M564 HydrophobicContact CE1-CG 4.45Å; Q560-M564 WeakPolarHBondContact O-CB 3.31Å; Q560-M564 PolarHBondContact O-N 3.02Å; V561-M564 PolarHBondContact O-N 3.09Å; M564-Q567 WeakPolarHBondContact O-CA 3.49Å; M564-Q567 VanDerWaalsContact O-CB 3.3Å; M564-Q567 WeakPolarHBondContact O-CB 3.48Å; M564-Q567 PolarHBondContact O-N 3.47Å; M564-V568 HydrophobicContact CG-CG2 4.39Å; M564-V568 PolarHBondContact O-N 3.34Å; M564-E594 VanDerWaalsContact CE-C 3.4Å; M564-E594 HydrophobicContact CE-CB 4.01Å; M564-E594 WeakPolarHBondContact CE-O 3.34Å; M564-E594 HydrophobicContact SD-CB 3.86Å; M564-L595 HydrophobicContact CE-CB 3.69Å; M564-L595 HydrophobicContact CE-CD1 3.85Å; M564-L595 HydrophobicContact CE-CG 4.39Å; M564-T598 WeakPolarHBondContact CE-OG1 3.46Å |
| 565 | T | 94.6 | Very high | 92.3 | Very high | 4 Ų | 4 | 26.4 Ų | 26.4 | 3% | 0.025 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -54.4 | -48.1 | -179.9 | -62.3 | 0 | 0 | 0 | 0 | 113.2 | R526 C529 V561 Q567 V568 I569 | R526-T565 HydrophobicContact CB-CG2 4.49Å; C529-T565 HydrophobicContact CB-CG2 3.83Å; C529-T565 WeakPolarHBondContact CB-OG1 3.24Å; V561-T565 WeakPolarHBondContact O-CB 3.46Å; V561-T565 PolarHBondContact O-N 3.37Å; V561-T565 VanDerWaalsContact O-N 3.1Å; V561-T565 PolarHBondContact O-OG1 3.31Å; T565-Q567 PolarHBondContact O-N 3.23Å; T565-V568 PolarHBondContact O-N 2.99Å; T565-I569 HydrophobicContact CG2-CD1 4.15Å; T565-I569 WeakPolarHBondContact O-CG1 3.45Å; T565-I569 PolarHBondContact O-N 3.44Å; T565-I569 VanDerWaalsContact O-N 3.17Å |
| 566 | P | 94 | Very high | 92.7 | Very high | 48 Ų | 48 | 25.1 Ų | 25.1 | 31% | 0.312 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -58.2 | -35.6 | 173.2 | -23.9 | 33.8 | 0 | 0 | 0 | 113 | A562 I569 N570 | A562-P566 WeakPolarHBondContact O-CD 3.46Å; P566-I569 PolarHBondContact O-N 3.43Å; P566-N570 WeakPolarHBondContact O-CB 3.41Å; P566-N570 VanDerWaalsContact O-CG 3.3Å; P566-N570 PolarHBondContact O-N 3.37Å; P566-N570 PolarHBondContact O-OD1 3.26Å |
| 567 | Q | 94.7 | Very high | 93 | Very high | 21 Ų | 21 | 26.6 Ų | 26.6 | 10% | 0.098 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -69.1 | -39.6 | -177.2 | -49.3 | -56.4 | -35 | 0 | 0 | 111.9 | N225 Y228 M564 T565 N570 A571 | N225-Q567 WeakPolarHBondContact ND2-CA 3.33Å; N225-Q567 PolarHBondContact ND2-O 3.39Å; N225-Q567 PolarHBondContact ND2-OE1 2.83Å; Y228-Q567 HydrophobicContact CD1-CB 4.36Å; Y228-Q567 HydrophobicContact CD1-CG 3.58Å; Y228-Q567 HydrophobicContact CD2-CG 4.09Å; Y228-Q567 HydrophobicContact CE1-CG 3.95Å; Y228-Q567 HydrophobicContact CE2-CG 4.44Å; Y228-Q567 HydrophobicContact CG-CG 3.64Å; M564-Q567 WeakPolarHBondContact O-CA 3.49Å; M564-Q567 VanDerWaalsContact O-CB 3.3Å; M564-Q567 WeakPolarHBondContact O-CB 3.48Å; M564-Q567 PolarHBondContact O-N 3.47Å; T565-Q567 PolarHBondContact O-N 3.23Å; Q567-N570 PolarHBondContact O-N 2.94Å; Q567-A571 WeakPolarHBondContact O-CB 3.35Å; Q567-A571 PolarHBondContact O-N 2.87Å |
| 568 | V | 96.6 | Very high | 93 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.6 | -40.6 | 172.9 | -176.4 | 0 | 0 | 0 | 0 | 111.2 | L498 F501 M564 T565 A571 G572 F588 L591 L595 | L498-V568 HydrophobicContact CD1-CG1 4.29Å; F501-V568 HydrophobicContact CE1-CG1 4.34Å; M564-V568 HydrophobicContact CG-CG2 4.39Å; M564-V568 PolarHBondContact O-N 3.34Å; T565-V568 PolarHBondContact O-N 2.99Å; V568-A571 PolarHBondContact O-N 3.23Å; V568-G572 PolarHBondContact O-N 3.3Å; V568-F588 HydrophobicContact CG1-CE2 4.13Å; V568-L591 HydrophobicContact CG2-CB 4.17Å; V568-L591 WeakPolarHBondContact CG2-O 3.27Å; V568-L595 HydrophobicContact CB-CD2 4.09Å; V568-L595 HydrophobicContact CG1-CD2 4.27Å; V568-L595 HydrophobicContact CG2-CB 3.79Å; V568-L595 HydrophobicContact CG2-CD2 3.65Å; V568-L595 HydrophobicContact CG2-CG 4.28Å |
| 569 | I | 96.8 | Very high | 93 | Very high | 13 Ų | 13 | 29.6 Ų | 29.6 | 7% | 0.067 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64 | -44 | 177.7 | -67.1 | 169 | 0 | 0 | 0 | 110.6 | F501 G522 L525 R526 T565 P566 G572 K573 | F501-I569 HydrophobicContact CE1-CG1 4.46Å; F501-I569 HydrophobicContact CZ-CB 4.34Å; F501-I569 HydrophobicContact CZ-CG1 4.27Å; F501-I569 HydrophobicContact CZ-CG2 4.41Å; G522-I569 WeakPolarHBondContact O-CD1 3.48Å; L525-I569 HydrophobicContact CD2-CG1 4.4Å; R526-I569 HydrophobicContact CB-CD1 3.96Å; T565-I569 HydrophobicContact CG2-CD1 4.15Å; T565-I569 WeakPolarHBondContact O-CG1 3.45Å; T565-I569 PolarHBondContact O-N 3.44Å; T565-I569 VanDerWaalsContact O-N 3.17Å; P566-I569 PolarHBondContact O-N 3.43Å; I569-G572 PolarHBondContact O-N 2.68Å; I569-K573 PolarHBondContact O-N 2.79Å |
| 570 | N | 94.8 | Very high | 93.2 | Very high | 20 Ų | 20 | 34.7 Ų | 34.7 | 11% | 0.107 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.6 | -48.1 | 174.8 | -79.3 | 2.4 | 0 | 0 | 0 | 111.9 | E221 E224 N225 P566 Q567 G572 K573 I574 | E221-N570 HydrophobicContact CB-CB 3.83Å; E221-N570 HydrophobicContact CG-CB 4.07Å; E224-N570 PolarHBondContact OE2-ND2 2.94Å; N225-N570 WeakPolarHBondContact ND2-CB 3.4Å; P566-N570 WeakPolarHBondContact O-CB 3.41Å; P566-N570 VanDerWaalsContact O-CG 3.3Å; P566-N570 PolarHBondContact O-N 3.37Å; P566-N570 PolarHBondContact O-OD1 3.26Å; Q567-N570 PolarHBondContact O-N 2.94Å; N570-G572 VanDerWaalsContact C-N 3.31Å; N570-G572 PolarHBondContact O-N 3.43Å; N570-K573 WeakPolarHBondContact O-CB 3.49Å; N570-K573 PolarHBondContact O-N 3.01Å; N570-K573 VanDerWaalsContact O-N 3.13Å; N570-I574 WeakPolarHBondContact O-CG1 3.45Å; N570-I574 PolarHBondContact O-N 3.46Å |
| 571 | A | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.4 | -39.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q567 V568 K573 I574 R575 F588 L591 | Q567-A571 WeakPolarHBondContact O-CB 3.35Å; Q567-A571 PolarHBondContact O-N 2.87Å; V568-A571 PolarHBondContact O-N 3.23Å; A571-K573 VanDerWaalsContact C-N 3.33Å; A571-K573 PolarHBondContact O-N 2.88Å; A571-I574 PolarHBondContact O-N 3.18Å; A571-R575 PolarHBondContact O-N 3.5Å; A571-F588 HydrophobicContact CB-CB 4.45Å; A571-F588 HydrophobicContact CB-CD2 4.33Å; A571-L591 HydrophobicContact CB-CD1 3.6Å |
| 572 | G | 96.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.6 | -40 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V505 V568 I569 N570 R575 F576 F588 | V505-G572 WeakPolarHBondContact CG1-O 3.18Å; V568-G572 PolarHBondContact O-N 3.3Å; I569-G572 PolarHBondContact O-N 2.68Å; N570-G572 VanDerWaalsContact C-N 3.31Å; N570-G572 PolarHBondContact O-N 3.43Å; G572-R575 PolarHBondContact O-N 3.44Å; G572-F576 WeakPolarHBondContact O-CB 3.37Å; G572-F576 PolarHBondContact O-N 2.97Å; G572-F588 VanDerWaalsContact CA-CD2 3.49Å |
| 573 | K | 94.9 | Very high | 93.1 | Very high | 74 Ų | 74 | 37.7 Ų | 37.7 | 32% | 0.322 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -65.3 | -41.9 | 175.3 | -169.9 | 176 | 175.3 | -170.7 | 0 | 111.9 | E221 F518 I569 N570 A571 F576 H577 | E221-K573 HydrophobicContact CG-CD 4.21Å; E221-K573 WeakPolarHBondContact OE1-CD 3.27Å; E221-K573 VanDerWaalsContact OE1-CE 3.32Å; E221-K573 WeakPolarHBondContact OE1-CE 3.43Å; E221-K573 IonicContact OE1-NZ 2.78Å; E221-K573 PolarHBondContact OE1-NZ 3.33Å; F518-K573 HydrophobicContact CE1-CB 4.22Å; F518-K573 HydrophobicContact CE1-CG 4.3Å; F518-K573 VanDerWaalsContact CZ-CA 3.48Å; F518-K573 HydrophobicContact CZ-CB 3.74Å; F518-K573 HydrophobicContact CZ-CG 4.25Å; I569-K573 PolarHBondContact O-N 2.79Å; N570-K573 WeakPolarHBondContact O-CB 3.49Å; N570-K573 PolarHBondContact O-N 3.01Å; N570-K573 VanDerWaalsContact O-N 3.13Å; A571-K573 VanDerWaalsContact C-N 3.33Å; A571-K573 PolarHBondContact O-N 2.88Å; K573-F576 WeakPolarHBondContact O-CB 3.33Å; K573-F576 PolarHBondContact O-N 3.37Å; K573-H577 PolarHBondContact O-CD2 3.49Å; K573-H577 PolarHBondContact O-N 3.23Å; K573-H577 VanDerWaalsContact O-N 3.14Å |
| 574 | I | 93.7 | Very high | 93.3 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.2 | -54.8 | 174.7 | -66.2 | 166 | 0 | 0 | 0 | 109.7 | I210 I214 I219 E221 A222 N570 A571 F576 H577 Y578 A584 | I210-I574 HydrophobicContact CG2-CD1 4.23Å; I210-I574 HydrophobicContact CG2-CG2 3.86Å; I214-I574 HydrophobicContact CD1-CB 4.43Å; I214-I574 HydrophobicContact CD1-CD1 4.24Å; I214-I574 HydrophobicContact CD1-CG1 4.07Å; I214-I574 HydrophobicContact CD1-CG2 3.54Å; I219-I574 HydrophobicContact CG2-CG1 4.34Å; E221-I574 HydrophobicContact CB-CD1 4.25Å; E221-I574 HydrophobicContact CB-CG1 4.22Å; A222-I574 HydrophobicContact CB-CD1 3.89Å; N570-I574 WeakPolarHBondContact O-CG1 3.45Å; N570-I574 PolarHBondContact O-N 3.46Å; A571-I574 PolarHBondContact O-N 3.18Å; I574-F576 VanDerWaalsContact C-N 3.28Å; I574-F576 PolarHBondContact O-N 3.41Å; I574-H577 PolarHBondContact O-N 3.32Å; I574-Y578 HydrophobicContact CG2-CD2 3.98Å; I574-Y578 HydrophobicContact CG2-CE2 4.47Å; I574-Y578 WeakPolarHBondContact O-CD2 3.49Å; I574-Y578 PolarHBondContact O-N 2.92Å; I574-A584 HydrophobicContact CG2-CB 4.13Å |
| 575 | R | 94.5 | Very high | 93.4 | Very high | 28 Ų | 28 | 36.6 Ų | 36.6 | 11% | 0.106 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56 | -46.1 | 176.8 | -165.7 | -44.7 | -164.4 | 158.9 | -7.8 | 110.2 | V505 A571 G572 H577 Y578 D585 F588 | V505-R575 HydrophobicContact CG1-CB 3.81Å; V505-R575 HydrophobicContact CG1-CG 3.95Å; V505-R575 PolarHBondContact O-NH1 3.23Å; A571-R575 PolarHBondContact O-N 3.5Å; G572-R575 PolarHBondContact O-N 3.44Å; R575-H577 PolarHBondContact O-N 2.97Å; R575-Y578 CarbonylContact O-C 3.58Å; R575-Y578 PolarHBondContact O-N 3.11Å; R575-D585 HydrophobicContact CG-CB 4.5Å; R575-D585 IonicContact NE-OD1 3.69Å; R575-D585 PolarHBondContact NE-OD1 3.02Å; R575-F588 HydrophobicContact CB-CB 4.18Å; R575-F588 HydrophobicContact CG-CB 4.41Å |
| 576 | F | 93.8 | Very high | 93.3 | Very high | 6 Ų | 6 | 40.8 Ų | 40.8 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -54.6 | -36.8 | -178.4 | 179.7 | -92.6 | 0 | 0 | 0 | 113.4 | R514 E515 F518 G572 K573 I574 | R514-F576 HydrophobicContact CG-CE2 3.6Å; R514-F576 HydrophobicContact CG-CZ 3.69Å; R514-F576 VanDerWaalsContact NH1-CE1 3.33Å; R514-F576 VanDerWaalsContact NH1-CZ 3.27Å; R514-F576 PolarHBondContact NH1-O 3.04Å; R514-F576 PolarHBondContact NH2-O 3.37Å; E515-F576 HydrophobicContact CB-CZ 4.42Å; F518-F576 HydrophobicContact CB-CD2 4.09Å; F518-F576 HydrophobicContact CB-CE2 3.66Å; F518-F576 HydrophobicContact CB-CZ 4.05Å; F518-F576 HydrophobicContact CD2-CB 4.09Å; F518-F576 AromaticContact CD2-CD2 3.51Å; F518-F576 HydrophobicContact CD2-CD2 3.51Å; F518-F576 AromaticContact CD2-CE2 4Å; F518-F576 HydrophobicContact CD2-CE2 4Å; F518-F576 AromaticContact CD2-CG 3.86Å; F518-F576 HydrophobicContact CD2-CG 3.86Å; F518-F576 HydrophobicContact CE2-CB 3.88Å; F518-F576 HydrophobicContact CE2-CD2 4.18Å; F518-F576 HydrophobicContact CE2-CG 4.12Å; F518-F576 AromaticContact CG-CD2 3.9Å; F518-F576 HydrophobicContact CG-CD2 3.9Å; F518-F576 AromaticContact CG-CE2 3.95Å; F518-F576 HydrophobicContact CG-CE2 3.95Å; F518-F576 HydrophobicContact CG-CG 4.23Å; F518-F576 HydrophobicContact CG-CZ 4.37Å; F518-F576 HydrophobicContact CZ-CB 4.48Å; G572-F576 WeakPolarHBondContact O-CB 3.37Å; G572-F576 PolarHBondContact O-N 2.97Å; K573-F576 WeakPolarHBondContact O-CB 3.33Å; K573-F576 PolarHBondContact O-N 3.37Å; I574-F576 VanDerWaalsContact C-N 3.28Å; I574-F576 PolarHBondContact O-N 3.41Å |
| 577 | H | 91.5 | Very high | 93.3 | Very high | 89 Ų | 89 | 38.6 Ų | 38.6 | 41% | 0.412 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -87.8 | -21 | 176.6 | -67.3 | -59.5 | 0 | 0 | 0 | 114.3 | K573 I574 R575 P579 | K573-H577 PolarHBondContact O-CD2 3.49Å; K573-H577 PolarHBondContact O-N 3.23Å; K573-H577 VanDerWaalsContact O-N 3.14Å; I574-H577 PolarHBondContact O-N 3.32Å; R575-H577 PolarHBondContact O-N 2.97Å; H577-P579 WeakPolarHBondContact O-CD 3.29Å |
| 578 | Y | 90.8 | Very high | 93.3 | Very high | 33 Ų | 33 | 37.6 Ų | 37.6 | 13% | 0.129 | 19% | 0.187 | C | C | . | . | trans | -123 | 62.2 | 178.2 | -54.3 | -72.4 | 0 | 0 | 0 | 112.6 | I214 Q217 I219 I574 R575 Q580 N581 | I214-Y578 HydrophobicContact CB-CE2 3.95Å; I214-Y578 HydrophobicContact CD1-CD2 4.43Å; I214-Y578 HydrophobicContact CD1-CE2 3.97Å; I214-Y578 HydrophobicContact CG2-CD1 4.45Å; I214-Y578 HydrophobicContact CG2-CD2 3.88Å; I214-Y578 HydrophobicContact CG2-CE1 4.23Å; I214-Y578 HydrophobicContact CG2-CE2 3.63Å; I214-Y578 HydrophobicContact CG2-CG 4.28Å; Q217-Y578 WeakPolarHBondContact CB-OH 3.29Å; Q217-Y578 PolarHBondContact OE1-OH 3.48Å; I219-Y578 HydrophobicContact CD1-CE2 3.41Å; I219-Y578 VanDerWaalsContact CD1-CE2 3.41Å; I219-Y578 WeakPolarHBondContact CD1-OH 3.49Å; I574-Y578 HydrophobicContact CG2-CD2 3.98Å; I574-Y578 HydrophobicContact CG2-CE2 4.47Å; I574-Y578 WeakPolarHBondContact O-CD2 3.49Å; I574-Y578 PolarHBondContact O-N 2.92Å; R575-Y578 CarbonylContact O-C 3.58Å; R575-Y578 PolarHBondContact O-N 3.11Å; Y578-Q580 PolarHBondContact O-N 3.2Å; Y578-Q580 VanDerWaalsContact O-N 3.07Å; Y578-N581 PolarHBondContact O-N 3.41Å | ||
| 579 | P | 90.4 | Very high | 93.3 | Very high | 43 Ų | 43 | 39.6 Ų | 39.6 | 28% | 0.279 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -19.9 | -173.2 | 26.1 | -35.6 | 0 | 0 | 0 | 114.3 | H577 | H577-P579 WeakPolarHBondContact O-CD 3.29Š|
| 580 | Q | 90.1 | Very high | 93.2 | Very high | 182 Ų | 182 | 41 Ų | 41 | 85% | 0.85 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -8.4 | 178.7 | -59.8 | -178.5 | 9.6 | 0 | 0 | 113.3 | Y578 V582 | Y578-Q580 PolarHBondContact O-N 3.2Å; Y578-Q580 VanDerWaalsContact O-N 3.07Å; Q580-V582 PolarHBondContact O-N 2.92Å |
| 581 | N | 90.3 | Very high | 93.2 | Very high | 37 Ų | 37 | 40.2 Ų | 40.2 | 20% | 0.198 | 20% | 0.2 | C | C | . | . | trans | -84.7 | 105.6 | -179.3 | -173.4 | -18.5 | 0 | 0 | 0 | 110.3 | Q213 Y578 A583 A584 D585 | Q213-N581 PolarHBondContact OE1-ND2 3.45Å; Q213-N581 PolarHBondContact OE1-OD1 3.07Å; Y578-N581 PolarHBondContact O-N 3.41Å; N581-A583 PolarHBondContact O-N 2.93Å; N581-A583 WeakPolarHBondContact OD1-CB 3.41Å; N581-A583 PolarHBondContact OD1-N 3.35Å; N581-A584 HydrophobicContact CB-CB 3.91Å; N581-A584 WeakPolarHBondContact O-CB 3.23Å; N581-A584 PolarHBondContact O-N 2.84Å; N581-A584 PolarHBondContact OD1-N 2.91Å; N581-D585 PolarHBondContact O-N 3.35Å | ||
| 582 | V | 91.2 | Very high | 93.2 | Very high | 102 Ų | 102 | 43.8 Ų | 43.8 | 62% | 0.618 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -54.6 | -39.9 | 178.2 | -180 | 0 | 0 | 0 | 0 | 112 | Q580 A584 D585 E586 | Q580-V582 PolarHBondContact O-N 2.92Å; V582-A584 VanDerWaalsContact C-N 3.28Å; V582-A584 PolarHBondContact O-N 3.15Å; V582-D585 WeakPolarHBondContact O-CB 3.37Å; V582-D585 PolarHBondContact O-N 3.41Å; V582-E586 HydrophobicContact CG1-CG 4.49Å; V582-E586 WeakPolarHBondContact O-CG 3.33Å; V582-E586 PolarHBondContact O-N 2.77Å |
| 583 | A | 90.7 | Very high | 93.2 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 3% | 0.025 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.6 | -33.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | K209 I210 N581 D585 E586 H587 | K209-A583 HydrophobicContact CD-CB 4.22Å; I210-A583 HydrophobicContact CD1-CB 3.42Å; I210-A583 VanDerWaalsContact CD1-CB 3.42Å; I210-A583 HydrophobicContact CG1-CB 4.43Å; N581-A583 PolarHBondContact O-N 2.93Å; N581-A583 WeakPolarHBondContact OD1-CB 3.41Å; N581-A583 PolarHBondContact OD1-N 3.35Å; A583-D585 VanDerWaalsContact C-N 3.3Å; A583-E586 PolarHBondContact O-N 3.27Å; A583-H587 VanDerWaalsContact O-CB 3.29Å; A583-H587 WeakPolarHBondContact O-CB 3.23Å; A583-H587 PolarHBondContact O-N 3.08Å |
| 584 | A | 92.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.008 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.7 | -35.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | I210 I574 N581 V582 F588 | I210-A584 HydrophobicContact CD1-CB 4.18Å; I210-A584 VanDerWaalsContact CD1-N 3.34Å; I574-A584 HydrophobicContact CG2-CB 4.13Å; N581-A584 HydrophobicContact CB-CB 3.91Å; N581-A584 WeakPolarHBondContact O-CB 3.23Å; N581-A584 PolarHBondContact O-N 2.84Å; N581-A584 PolarHBondContact OD1-N 2.91Å; V582-A584 VanDerWaalsContact C-N 3.28Å; V582-A584 PolarHBondContact O-N 3.15Å; A584-F588 WeakPolarHBondContact O-CB 3.43Å; A584-F588 PolarHBondContact O-N 3.37Å |
| 585 | D | 93 | Very high | 93.3 | Very high | 62 Ų | 62 | 47.3 Ų | 47.3 | 33% | 0.332 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.4 | -49.6 | 172.4 | -159.9 | 76.8 | 0 | 0 | 0 | 111.3 | R575 N581 V582 A583 H587 F588 E589 | R575-D585 HydrophobicContact CG-CB 4.5Å; R575-D585 IonicContact NE-OD1 3.69Å; R575-D585 PolarHBondContact NE-OD1 3.02Å; N581-D585 PolarHBondContact O-N 3.35Å; V582-D585 WeakPolarHBondContact O-CB 3.37Å; V582-D585 PolarHBondContact O-N 3.41Å; A583-D585 VanDerWaalsContact C-N 3.3Å; D585-H587 PolarHBondContact O-N 3.2Å; D585-F588 PolarHBondContact O-N 2.86Å; D585-E589 WeakPolarHBondContact O-CB 3.38Å; D585-E589 WeakPolarHBondContact O-CG 3.38Å; D585-E589 PolarHBondContact O-N 3.26Å |
| 586 | E | 93.1 | Very high | 93.4 | Very high | 93 Ų | 93 | 47.6 Ų | 47.6 | 44% | 0.435 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -57 | -45.6 | 175 | -72.5 | 174 | 176 | 0 | 0 | 112.4 | V582 A583 E589 N590 | V582-E586 HydrophobicContact CG1-CG 4.49Å; V582-E586 WeakPolarHBondContact O-CG 3.33Å; V582-E586 PolarHBondContact O-N 2.77Å; A583-E586 PolarHBondContact O-N 3.27Å; E586-E589 PolarHBondContact O-N 3.49Å; E586-N590 WeakPolarHBondContact O-CB 3.36Å; E586-N590 PolarHBondContact O-N 3.26Å; E586-N590 PolarHBondContact O-ND2 2.91Å; E586-N590 VanDerWaalsContact O-ND2 3.15Å |
| 587 | H | 94 | Very high | 93.5 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.5 | -46.3 | 179.2 | -179.1 | 59.6 | 0 | 0 | 0 | 111.9 | I210 N225 A583 D585 N590 L591 | I210-H587 HydrophobicContact CG1-CB 3.99Å; N225-H587 PolarHBondContact OD1-NE2 2.66Å; A583-H587 VanDerWaalsContact O-CB 3.29Å; A583-H587 WeakPolarHBondContact O-CB 3.23Å; A583-H587 PolarHBondContact O-N 3.08Å; D585-H587 PolarHBondContact O-N 3.2Å; H587-N590 PolarHBondContact O-N 3.01Å; H587-L591 VanDerWaalsContact CE1-CD1 3.47Å; H587-L591 WeakPolarHBondContact CE1-CD1 3.17Å; H587-L591 WeakPolarHBondContact NE2-CD1 3.33Å; H587-L591 PolarHBondContact O-N 3.48Å; H587-L591 VanDerWaalsContact O-N 3.16Å |
| 588 | F | 95.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.1 | -47.2 | 175.1 | 172.7 | -113.2 | 0 | 0 | 0 | 111.6 | F501 A502 V505 V568 A571 G572 R575 A584 D585 N590 L591 R592 | F501-F588 HydrophobicContact CD1-CE2 4.26Å; F501-F588 HydrophobicContact CD1-CZ 4.42Å; F501-F588 AromaticContact CE1-CE2 3.84Å; F501-F588 HydrophobicContact CE1-CE2 3.84Å; F501-F588 HydrophobicContact CE1-CZ 4.38Å; A502-F588 HydrophobicContact CB-CE1 4.1Å; A502-F588 HydrophobicContact CB-CZ 3.97Å; V505-F588 HydrophobicContact CB-CE1 4.2Å; V505-F588 HydrophobicContact CB-CZ 4.11Å; V505-F588 HydrophobicContact CG1-CD1 4.05Å; V505-F588 HydrophobicContact CG1-CE1 3.92Å; V505-F588 HydrophobicContact CG1-CE2 4.47Å; V505-F588 HydrophobicContact CG1-CG 4.37Å; V505-F588 HydrophobicContact CG1-CZ 4.14Å; V505-F588 HydrophobicContact CG2-CE1 4.38Å; V505-F588 HydrophobicContact CG2-CE2 4Å; V505-F588 HydrophobicContact CG2-CZ 3.8Å; V568-F588 HydrophobicContact CG1-CE2 4.13Å; A571-F588 HydrophobicContact CB-CB 4.45Å; A571-F588 HydrophobicContact CB-CD2 4.33Å; G572-F588 VanDerWaalsContact CA-CD2 3.49Å; R575-F588 HydrophobicContact CB-CB 4.18Å; R575-F588 HydrophobicContact CG-CB 4.41Å; A584-F588 WeakPolarHBondContact O-CB 3.43Å; A584-F588 PolarHBondContact O-N 3.37Å; D585-F588 PolarHBondContact O-N 2.86Å; F588-N590 VanDerWaalsContact C-N 3.34Å; F588-N590 PolarHBondContact O-N 3.34Å; F588-L591 PolarHBondContact O-N 2.87Å; F588-R592 HydrophobicContact CZ-CB 4.48Å; F588-R592 HydrophobicContact CZ-CG 4.49Å; F588-R592 WeakPolarHBondContact O-CB 3.27Å; F588-R592 PolarHBondContact O-N 3.26Å |
| 589 | E | 95.7 | Very high | 93.9 | Very high | 43 Ų | 43 | 45.1 Ų | 45.1 | 20% | 0.201 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.9 | -36.8 | -179.3 | -77.3 | -61.5 | 124.2 | 0 | 0 | 113 | D585 E586 R592 R593 | D585-E589 WeakPolarHBondContact O-CB 3.38Å; D585-E589 WeakPolarHBondContact O-CG 3.38Å; D585-E589 PolarHBondContact O-N 3.26Å; E586-E589 PolarHBondContact O-N 3.49Å; E589-R592 VanDerWaalsContact CD-NE 3.32Å; E589-R592 IonicContact OE1-CZ 3.92Å; E589-R592 IonicContact OE1-NE 2.76Å; E589-R592 PolarHBondContact OE1-NE 2.92Å; E589-R592 IonicContact OE1-NH2 3.21Å; E589-R592 IonicContact OE2-CZ 3.13Å; E589-R592 VanDerWaalsContact OE2-CZ 3.27Å; E589-R592 IonicContact OE2-NE 3.45Å; E589-R592 PolarHBondContact OE2-NE 3.41Å; E589-R592 IonicContact OE2-NH2 3.77Å; E589-R592 PolarHBondContact OE2-NH2 3.5Å; E589-R593 WeakPolarHBondContact O-CB 3.31Å; E589-R593 PolarHBondContact O-N 3.15Å |
| 590 | N | 94 | Very high | 94.2 | Very high | 43 Ų | 43 | 44.4 Ų | 44.4 | 23% | 0.23 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.8 | -52.2 | 174.7 | -72.2 | -25.9 | 0 | 0 | 0 | 111.5 | I203 E586 H587 F588 R592 R593 E594 | I203-N590 HydrophobicContact CD1-CB 4.41Å; I203-N590 HydrophobicContact CG1-CB 4.18Å; I203-N590 HydrophobicContact CG2-CB 4.5Å; E586-N590 WeakPolarHBondContact O-CB 3.36Å; E586-N590 PolarHBondContact O-N 3.26Å; E586-N590 PolarHBondContact O-ND2 2.91Å; E586-N590 VanDerWaalsContact O-ND2 3.15Å; H587-N590 PolarHBondContact O-N 3.01Å; F588-N590 VanDerWaalsContact C-N 3.34Å; F588-N590 PolarHBondContact O-N 3.34Å; N590-R592 VanDerWaalsContact C-N 3.32Å; N590-R592 PolarHBondContact O-N 2.8Å; N590-R593 PolarHBondContact O-N 3.38Å; N590-R593 PolarHBondContact OD1-NH1 2.9Å; N590-E594 WeakPolarHBondContact O-CG 3.23Å; N590-E594 PolarHBondContact O-N 3.21Å |
| 591 | L | 95.1 | Very high | 94.4 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.4 | -34.6 | 178.5 | -76.4 | 175.8 | 0 | 0 | 0 | 112.8 | I203 L229 V568 A571 H587 F588 L595 | I203-L591 HydrophobicContact CG2-CD2 4.07Å; I203-L591 HydrophobicContact CG2-CG 4.28Å; L229-L591 HydrophobicContact CD2-CD2 4.4Å; V568-L591 HydrophobicContact CG2-CB 4.17Å; V568-L591 WeakPolarHBondContact CG2-O 3.27Å; A571-L591 HydrophobicContact CB-CD1 3.6Å; H587-L591 VanDerWaalsContact CE1-CD1 3.47Å; H587-L591 WeakPolarHBondContact CE1-CD1 3.17Å; H587-L591 WeakPolarHBondContact NE2-CD1 3.33Å; H587-L591 PolarHBondContact O-N 3.48Å; H587-L591 VanDerWaalsContact O-N 3.16Å; F588-L591 PolarHBondContact O-N 2.87Å; L591-L595 PolarHBondContact O-N 2.86Å |
| 592 | R | 96.4 | Very high | 94.7 | Very high | 75 Ų | 75 | 38.9 Ų | 38.9 | 28% | 0.283 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.2 | -45.3 | 174.1 | -175.1 | -177.8 | 77.2 | 84.1 | 0.5 | 111.4 | L498 F588 E589 N590 L595 A596 | L498-R592 HydrophobicContact CD1-CG 4.06Å; L498-R592 HydrophobicContact CD2-CG 4.14Å; L498-R592 HydrophobicContact CG-CG 4.1Å; F588-R592 HydrophobicContact CZ-CB 4.48Å; F588-R592 HydrophobicContact CZ-CG 4.49Å; F588-R592 WeakPolarHBondContact O-CB 3.27Å; F588-R592 PolarHBondContact O-N 3.26Å; E589-R592 VanDerWaalsContact CD-NE 3.32Å; E589-R592 IonicContact OE1-CZ 3.92Å; E589-R592 IonicContact OE1-NE 2.76Å; E589-R592 PolarHBondContact OE1-NE 2.92Å; E589-R592 IonicContact OE1-NH2 3.21Å; E589-R592 IonicContact OE2-CZ 3.13Å; E589-R592 VanDerWaalsContact OE2-CZ 3.27Å; E589-R592 IonicContact OE2-NE 3.45Å; E589-R592 PolarHBondContact OE2-NE 3.41Å; E589-R592 IonicContact OE2-NH2 3.77Å; E589-R592 PolarHBondContact OE2-NH2 3.5Å; N590-R592 VanDerWaalsContact C-N 3.32Å; N590-R592 PolarHBondContact O-N 2.8Å; R592-L595 PolarHBondContact O-N 3.25Å; R592-A596 PolarHBondContact O-N 3.41Å |
| 593 | R | 95.8 | Very high | 94.9 | Very high | 117 Ų | 117 | 35.7 Ų | 35.7 | 44% | 0.442 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -63.9 | -46.8 | 177.7 | -169.2 | -178.3 | -56.3 | 108 | 6.3 | 111.2 | E589 N590 L595 A596 D597 | E589-R593 WeakPolarHBondContact O-CB 3.31Å; E589-R593 PolarHBondContact O-N 3.15Å; N590-R593 PolarHBondContact O-N 3.38Å; N590-R593 PolarHBondContact OD1-NH1 2.9Å; R593-L595 VanDerWaalsContact C-N 3.3Å; R593-L595 PolarHBondContact O-N 3.22Å; R593-A596 WeakPolarHBondContact O-CB 3.5Å; R593-A596 PolarHBondContact O-N 3.49Å; R593-A596 VanDerWaalsContact O-N 3.16Å; R593-D597 PolarHBondContact O-N 3.26Å |
| 594 | E | 93.8 | Very high | 95 | Very high | 33 Ų | 33 | 39.4 Ų | 39.4 | 15% | 0.154 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57 | -42.8 | 175.9 | -71.3 | -53.8 | 125.4 | 0 | 0 | 112 | T199 I203 M564 N590 D597 T598 | T199-E594 HydrophobicContact CG2-CG 4.46Å; T199-E594 WeakPolarHBondContact CG2-OE1 3.47Å; I203-E594 HydrophobicContact CD1-CG 3.57Å; M564-E594 VanDerWaalsContact CE-C 3.4Å; M564-E594 HydrophobicContact CE-CB 4.01Å; M564-E594 WeakPolarHBondContact CE-O 3.34Å; M564-E594 HydrophobicContact SD-CB 3.86Å; N590-E594 WeakPolarHBondContact O-CG 3.23Å; N590-E594 PolarHBondContact O-N 3.21Å; E594-D597 PolarHBondContact O-N 2.93Å; E594-T598 WeakPolarHBondContact O-CB 3.46Å; E594-T598 PolarHBondContact O-N 3.44Å; E594-T598 PolarHBondContact O-OG1 3.1Å |
| 595 | L | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.9 | -42.6 | 177 | -175.3 | 61.1 | 0 | 0 | 0 | 112.7 | L498 V561 M564 V568 L591 R592 R593 D597 T598 L599 | L498-L595 HydrophobicContact CD1-CD2 4.04Å; V561-L595 HydrophobicContact CG1-CD1 4.39Å; M564-L595 HydrophobicContact CE-CB 3.69Å; M564-L595 HydrophobicContact CE-CD1 3.85Å; M564-L595 HydrophobicContact CE-CG 4.39Å; V568-L595 HydrophobicContact CB-CD2 4.09Å; V568-L595 HydrophobicContact CG1-CD2 4.27Å; V568-L595 HydrophobicContact CG2-CB 3.79Å; V568-L595 HydrophobicContact CG2-CD2 3.65Å; V568-L595 HydrophobicContact CG2-CG 4.28Å; L591-L595 PolarHBondContact O-N 2.86Å; R592-L595 PolarHBondContact O-N 3.25Å; R593-L595 VanDerWaalsContact C-N 3.3Å; R593-L595 PolarHBondContact O-N 3.22Å; L595-D597 VanDerWaalsContact C-N 3.33Å; L595-D597 PolarHBondContact O-N 3.39Å; L595-T598 PolarHBondContact O-N 2.93Å; L595-L599 HydrophobicContact CD1-CD1 4.29Å; L595-L599 HydrophobicContact CD1-CG 4.3Å; L595-L599 HydrophobicContact CG-CD1 4.05Å; L595-L599 WeakPolarHBondContact O-CB 3.44Å; L595-L599 WeakPolarHBondContact O-CG 3.38Å; L595-L599 PolarHBondContact O-N 3.4Å |
| 596 | A | 97.1 | Very high | 95 | Very high | 35 Ų | 35 | 38 Ų | 38 | 29% | 0.289 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59.5 | -45.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L498 R592 R593 L599 A600 | L498-A596 HydrophobicContact CD2-CB 3.91Å; R592-A596 PolarHBondContact O-N 3.41Å; R593-A596 WeakPolarHBondContact O-CB 3.5Å; R593-A596 PolarHBondContact O-N 3.49Å; R593-A596 VanDerWaalsContact O-N 3.16Å; A596-L599 PolarHBondContact O-N 2.94Å; A596-A600 WeakPolarHBondContact O-CB 3.22Å; A596-A600 PolarHBondContact O-N 3.4Å |
| 597 | D | 95.2 | Very high | 94.8 | Very high | 72 Ų | 72 | 35.6 Ų | 35.6 | 39% | 0.385 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -68.3 | -39.2 | -179.9 | -67.9 | -18.1 | 0 | 0 | 0 | 111.5 | R593 E594 L595 A600 R601 | R593-D597 PolarHBondContact O-N 3.26Å; E594-D597 PolarHBondContact O-N 2.93Å; L595-D597 VanDerWaalsContact C-N 3.33Å; L595-D597 PolarHBondContact O-N 3.39Å; D597-A600 PolarHBondContact O-N 3.49Å; D597-R601 WeakPolarHBondContact O-CB 3.34Å; D597-R601 WeakPolarHBondContact O-CG 3.47Å; D597-R601 PolarHBondContact O-N 3.37Å |
| 598 | T | 94.4 | Very high | 94.4 | Very high | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.018 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.9 | -40.4 | 176.7 | -50.6 | 0 | 0 | 0 | 0 | 111.7 | T557 Q560 V561 M564 E594 L595 R601 L602 | T557-T598 HydrophobicContact CG2-CG2 3.85Å; Q560-T598 HydrophobicContact CB-CG2 3.97Å; V561-T598 HydrophobicContact CG2-CG2 3.64Å; M564-T598 WeakPolarHBondContact CE-OG1 3.46Å; E594-T598 WeakPolarHBondContact O-CB 3.46Å; E594-T598 PolarHBondContact O-N 3.44Å; E594-T598 PolarHBondContact O-OG1 3.1Å; L595-T598 PolarHBondContact O-N 2.93Å; T598-R601 PolarHBondContact O-N 2.92Å; T598-R601 PolarHBondContact OG1-NH2 2.93Å; T598-L602 WeakPolarHBondContact O-CB 3.22Å; T598-L602 PolarHBondContact O-N 3.48Å |
| 599 | L | 96.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.3 | -40.4 | 173 | -78 | 168 | 0 | 0 | 0 | 111.8 | C532 V561 L595 A596 L602 R603 | C532-L599 HydrophobicContact CB-CD2 4.2Å; V561-L599 HydrophobicContact CG1-CD2 3.7Å; V561-L599 HydrophobicContact CG1-CG 4.39Å; V561-L599 HydrophobicContact CG2-CD2 4.09Å; V561-L599 HydrophobicContact CG2-CG 4.39Å; L595-L599 HydrophobicContact CD1-CD1 4.29Å; L595-L599 HydrophobicContact CD1-CG 4.3Å; L595-L599 HydrophobicContact CG-CD1 4.05Å; L595-L599 WeakPolarHBondContact O-CB 3.44Å; L595-L599 WeakPolarHBondContact O-CG 3.38Å; L595-L599 PolarHBondContact O-N 3.4Å; A596-L599 PolarHBondContact O-N 2.94Å; L599-L602 PolarHBondContact O-N 3.49Å; L599-R603 WeakPolarHBondContact O-CB 3.41Å; L599-R603 PolarHBondContact O-N 3.31Å |
| 600 | A | 96 | Very high | 93.8 | Very high | 27 Ų | 27 | 38.1 Ų | 38.1 | 22% | 0.223 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65 | -43 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I494 A596 D597 R603 N604 | I494-A600 HydrophobicContact CD1-CB 4.35Å; A596-A600 WeakPolarHBondContact O-CB 3.22Å; A596-A600 PolarHBondContact O-N 3.4Å; D597-A600 PolarHBondContact O-N 3.49Å; A600-R603 PolarHBondContact O-N 3.23Å; A600-N604 PolarHBondContact O-N 3.13Å; A600-N604 PolarHBondContact O-ND2 3.37Å; A600-N604 PolarHBondContact O-OD1 3.07Å |
| 601 | R | 94.5 | Very high | 93.3 | Very high | 103 Ų | 103 | 37.6 Ų | 37.6 | 39% | 0.389 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -59.8 | -46.4 | 172.7 | -74.1 | -168.7 | -58.4 | -90.8 | 6.8 | 111.6 | T557 D597 T598 R603 N604 L605 | T557-R601 HydrophobicContact CG2-CB 4.25Å; D597-R601 WeakPolarHBondContact O-CB 3.34Å; D597-R601 WeakPolarHBondContact O-CG 3.47Å; D597-R601 PolarHBondContact O-N 3.37Å; T598-R601 PolarHBondContact O-N 2.92Å; T598-R601 PolarHBondContact OG1-NH2 2.93Å; R601-R603 VanDerWaalsContact C-N 3.34Å; R601-R603 PolarHBondContact O-N 3.07Å; R601-N604 PolarHBondContact O-N 3.32Å; R601-L605 WeakPolarHBondContact O-CG 3.15Å; R601-L605 PolarHBondContact O-N 3.37Å |
| 602 | L | 96.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.8 | -46.2 | 177.5 | -176.3 | 59.5 | 0 | 0 | 0 | 111.3 | F491 L554 T557 A558 V561 T598 L599 N604 L605 V606 | F491-L602 HydrophobicContact CE1-CB 4.47Å; F491-L602 HydrophobicContact CE1-CD2 4.19Å; F491-L602 HydrophobicContact CE1-CG 3.99Å; F491-L602 HydrophobicContact CZ-CD2 3.99Å; F491-L602 HydrophobicContact CZ-CG 3.91Å; L554-L602 HydrophobicContact CD2-CD1 4.19Å; T557-L602 HydrophobicContact CG2-CB 3.85Å; T557-L602 HydrophobicContact CG2-CD1 4.33Å; A558-L602 HydrophobicContact CB-CD1 4.06Å; A558-L602 HydrophobicContact CB-CD2 4.43Å; V561-L602 HydrophobicContact CG2-CD2 4.01Å; T598-L602 WeakPolarHBondContact O-CB 3.22Å; T598-L602 PolarHBondContact O-N 3.48Å; L599-L602 PolarHBondContact O-N 3.49Å; L602-N604 PolarHBondContact O-N 2.93Å; L602-L605 PolarHBondContact O-N 3.02Å; L602-V606 WeakPolarHBondContact O-CG2 3.26Å; L602-V606 PolarHBondContact O-N 3.34Å |
| 603 | R | 95.2 | Very high | 92.3 | Very high | 36 Ų | 36 | 36.4 Ų | 36.4 | 14% | 0.136 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.6 | -45 | 176.7 | -173 | -174.9 | 68 | -170.8 | -5.8 | 111.9 | F491 I494 L599 A600 R601 L605 V606 D607 | F491-R603 HydrophobicContact CB-CG 4.18Å; F491-R603 HydrophobicContact CD1-CB 3.63Å; F491-R603 HydrophobicContact CD1-CG 3.73Å; F491-R603 HydrophobicContact CE1-CB 4Å; F491-R603 HydrophobicContact CG-CG 4.27Å; I494-R603 HydrophobicContact CD1-CB 4.37Å; L599-R603 WeakPolarHBondContact O-CB 3.41Å; L599-R603 PolarHBondContact O-N 3.31Å; A600-R603 PolarHBondContact O-N 3.23Å; R601-R603 VanDerWaalsContact C-N 3.34Å; R601-R603 PolarHBondContact O-N 3.07Å; R603-L605 VanDerWaalsContact C-N 3.34Å; R603-L605 PolarHBondContact O-N 3.21Å; R603-V606 WeakPolarHBondContact O-CB 3.48Å; R603-V606 PolarHBondContact O-N 2.82Å; R603-D607 WeakPolarHBondContact O-CB 3.28Å; R603-D607 VanDerWaalsContact O-CG 3.22Å; R603-D607 PolarHBondContact O-N 3.29Å |
| 604 | N | 92.8 | Very high | 91.9 | Very high | 81 Ų | 81 | 34.4 Ų | 34.4 | 43% | 0.433 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63.6 | -40.9 | -179.9 | -67 | -10.4 | 0 | 0 | 0 | 111.5 | A600 R601 L602 V606 D607 D608 | A600-N604 PolarHBondContact O-N 3.13Å; A600-N604 PolarHBondContact O-ND2 3.37Å; A600-N604 PolarHBondContact O-OD1 3.07Å; R601-N604 PolarHBondContact O-N 3.32Å; L602-N604 PolarHBondContact O-N 2.93Å; N604-V606 VanDerWaalsContact C-N 3.33Å; N604-V606 PolarHBondContact O-N 3.43Å; N604-D607 PolarHBondContact O-N 3.47Å; N604-D608 WeakPolarHBondContact O-CB 3.43Å; N604-D608 VanDerWaalsContact O-CG 3.3Å; N604-D608 PolarHBondContact O-N 2.92Å |
| 605 | L | 92.1 | Very high | 91.8 | Very high | 33 Ų | 33 | 33.1 Ų | 33.1 | 17% | 0.173 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.6 | -38.4 | 174 | -71.4 | 168.8 | 0 | 0 | 0 | 112.1 | L554 T557 R601 L602 R603 D608 A609 | L554-L605 HydrophobicContact CD2-CB 3.49Å; L554-L605 VanDerWaalsContact CD2-CB 3.49Å; L554-L605 HydrophobicContact CG-CB 3.91Å; T557-L605 WeakPolarHBondContact OG1-CD1 3.45Å; R601-L605 WeakPolarHBondContact O-CG 3.15Å; R601-L605 PolarHBondContact O-N 3.37Å; L602-L605 PolarHBondContact O-N 3.02Å; R603-L605 VanDerWaalsContact C-N 3.34Å; R603-L605 PolarHBondContact O-N 3.21Å; L605-D608 PolarHBondContact O-N 2.97Å; L605-A609 WeakPolarHBondContact O-CB 3.43Å; L605-A609 PolarHBondContact O-N 3.39Å; L605-A609 VanDerWaalsContact O-N 3.08Å |
| 606 | V | 94.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.4 | -44 | 174.6 | 165.4 | 0 | 0 | 0 | 0 | 110.8 | V487 F491 V539 L554 L602 R603 N604 D608 A609 V610 | V487-V606 HydrophobicContact CB-CG1 4.24Å; V487-V606 HydrophobicContact CG1-CG1 3.5Å; V487-V606 HydrophobicContact CG2-CG1 3.71Å; F491-V606 HydrophobicContact CD2-CG1 4.36Å; F491-V606 HydrophobicContact CE2-CG1 4.31Å; F491-V606 HydrophobicContact CE2-CG2 3.99Å; F491-V606 HydrophobicContact CZ-CG2 3.87Å; V539-V606 HydrophobicContact CB-CG2 4.35Å; V539-V606 HydrophobicContact CG1-CG2 4.5Å; V539-V606 HydrophobicContact CG2-CG1 4.12Å; V539-V606 HydrophobicContact CG2-CG2 4.26Å; L554-V606 HydrophobicContact CD2-CB 4.45Å; L554-V606 HydrophobicContact CD2-CG2 3.6Å; L602-V606 WeakPolarHBondContact O-CG2 3.26Å; L602-V606 PolarHBondContact O-N 3.34Å; R603-V606 WeakPolarHBondContact O-CB 3.48Å; R603-V606 PolarHBondContact O-N 2.82Å; N604-V606 VanDerWaalsContact C-N 3.33Å; N604-V606 PolarHBondContact O-N 3.43Å; V606-D608 VanDerWaalsContact C-N 3.29Å; V606-D608 PolarHBondContact O-N 3.44Å; V606-A609 PolarHBondContact O-N 2.9Å; V606-V610 WeakPolarHBondContact O-CG2 3.3Å; V606-V610 PolarHBondContact O-N 2.84Å |
| 607 | D | 89.7 | Confident | 91 | Very high | 43 Ų | 43 | 38.5 Ų | 38.5 | 23% | 0.23 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.9 | -34.4 | 177.2 | -69.6 | -18.1 | 0 | 0 | 0 | 111.9 | R603 N604 R655 | R603-D607 WeakPolarHBondContact O-CB 3.28Å; R603-D607 VanDerWaalsContact O-CG 3.22Å; R603-D607 PolarHBondContact O-N 3.29Å; N604-D607 PolarHBondContact O-N 3.47Å; D607-R655 IonicContact OD1-CZ 2.88Å; D607-R655 IonicContact OD1-NH1 3.99Å; D607-R655 PolarHBondContact OD1-NH1 3.32Å; D607-R655 IonicContact OD1-NH2 3.22Å; D607-R655 PolarHBondContact OD1-NH2 2.91Å; D607-R655 IonicContact OD2-CZ 2.93Å; D607-R655 IonicContact OD2-NH1 3.99Å; D607-R655 PolarHBondContact OD2-NH1 3.3Å; D607-R655 IonicContact OD2-NH2 3.9Å |
| 608 | D | 85.9 | Confident | 90.8 | Very high | 81 Ų | 81 | 35.7 Ų | 35.7 | 43% | 0.433 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -72.2 | -28.3 | 174.9 | -74.7 | -22.7 | 0 | 0 | 0 | 112.9 | N604 L605 V606 K870 | N604-D608 WeakPolarHBondContact O-CB 3.43Å; N604-D608 VanDerWaalsContact O-CG 3.3Å; N604-D608 PolarHBondContact O-N 2.92Å; L605-D608 PolarHBondContact O-N 2.97Å; V606-D608 VanDerWaalsContact C-N 3.29Å; V606-D608 PolarHBondContact O-N 3.44Å; D608-K870 IonicContact OD1-NZ 2.71Å; D608-K870 PolarHBondContact OD1-NZ 3.29Å |
| 609 | A | 88.6 | Confident | 90.7 | Very high | 6 Ų | 6 | 35.6 Ų | 35.6 | 5% | 0.05 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -85.3 | -11.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | V539 C545 I550 L554 L605 V606 | V539-A609 HydrophobicContact CG1-CB 3.52Å; C545-A609 HydrophobicContact CB-CB 3.86Å; I550-A609 HydrophobicContact CG2-CB 4.22Å; L554-A609 HydrophobicContact CD1-CB 3.96Å; L605-A609 WeakPolarHBondContact O-CB 3.43Å; L605-A609 PolarHBondContact O-N 3.39Å; L605-A609 VanDerWaalsContact O-N 3.08Å; V606-A609 PolarHBondContact O-N 2.9Å |
| 610 | V | 88.5 | Confident | 90.4 | Very high | 9 Ų | 9 | 37 Ų | 37 | 6% | 0.055 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -111.1 | 137.3 | -175.9 | 168.8 | 0 | 0 | 0 | 0 | 110.8 | L484 V487 V606 P612 F615 | L484-V610 HydrophobicContact CD2-CB 4.41Å; L484-V610 HydrophobicContact CD2-CG1 3.33Å; L484-V610 HydrophobicContact CD2-CG2 4.22Å; V487-V610 HydrophobicContact CG1-CG2 4.47Å; V487-V610 HydrophobicContact CG2-CG2 4.35Å; V606-V610 WeakPolarHBondContact O-CG2 3.3Å; V606-V610 PolarHBondContact O-N 2.84Å; V610-P612 WeakPolarHBondContact O-CD 3.41Å; V610-F615 HydrophobicContact CG1-CB 3.96Å |
| 611 | D | 84.7 | Confident | 90.1 | Very high | 32 Ų | 32 | 39.9 Ų | 39.9 | 17% | 0.171 | 20% | 0.2 | C | C | . | . | trans | -65 | 126 | 174.8 | -177.2 | -84.4 | 0 | 0 | 0 | 110.8 | A613 D614 F615 S730 | D611-A613 VanDerWaalsContact C-N 3.27Å; D611-A613 PolarHBondContact O-N 2.94Å; D611-A613 WeakPolarHBondContact OD1-CA 3.31Å; D611-A613 WeakPolarHBondContact OD1-CB 3.32Å; D611-A613 PolarHBondContact OD1-N 3.34Å; D611-D614 HydrophobicContact CB-CB 4.14Å; D611-D614 PolarHBondContact O-N 3.04Å; D611-D614 PolarHBondContact OD1-N 3.39Å; D611-D614 VanDerWaalsContact OD1-N 3.15Å; D611-F615 PolarHBondContact O-N 3.1Å; D611-S730 WeakPolarHBondContact OD2-CB 3.35Å; D611-S730 PolarHBondContact OD2-OG 3.11Å | ||
| 612 | P | 86.2 | Confident | 90 | Very high | 28 Ų | 28 | 35 Ų | 35 | 18% | 0.182 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.9 | -32.8 | -177.9 | -25.8 | 33.6 | 0 | 0 | 0 | 114 | V610 V616 Q663 | V610-P612 WeakPolarHBondContact O-CD 3.41Å; P612-V616 WeakPolarHBondContact O-CB 3.27Å; P612-V616 VanDerWaalsContact O-CG2 3.22Å; P612-V616 WeakPolarHBondContact O-CG2 3.36Å; P612-V616 PolarHBondContact O-N 3.06Å; P612-Q663 HydrophobicContact CB-CG 4.19Å; P612-Q663 HydrophobicContact CG-CG 4.23Å; P612-Q663 VanDerWaalsContact CG-NE2 3.31Å |
| 613 | A | 84.3 | Confident | 89.8 | Confident | 24 Ų | 24 | 35 Ų | 35 | 20% | 0.198 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -72.3 | -39.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111 | D611 V616 K617 I727 | D611-A613 VanDerWaalsContact C-N 3.27Å; D611-A613 PolarHBondContact O-N 2.94Å; D611-A613 WeakPolarHBondContact OD1-CA 3.31Å; D611-A613 WeakPolarHBondContact OD1-CB 3.32Å; D611-A613 PolarHBondContact OD1-N 3.34Å; A613-V616 PolarHBondContact O-N 3.28Å; A613-K617 WeakPolarHBondContact O-CB 3.43Å; A613-K617 PolarHBondContact O-N 2.88Å; A613-I727 HydrophobicContact CB-CG2 4.11Å |
| 614 | D | 87.5 | Confident | 89.7 | Confident | 75 Ų | 75 | 37.1 Ų | 37.1 | 40% | 0.401 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -66.1 | -40.2 | 173.6 | -70.6 | -29.7 | 0 | 0 | 0 | 111.5 | L484 D611 K617 A618 | L484-D614 HydrophobicContact CD1-CB 3.86Å; L484-D614 HydrophobicContact CD2-CB 4.45Å; D611-D614 HydrophobicContact CB-CB 4.14Å; D611-D614 PolarHBondContact O-N 3.04Å; D611-D614 PolarHBondContact OD1-N 3.39Å; D611-D614 VanDerWaalsContact OD1-N 3.15Å; D614-K617 PolarHBondContact O-N 2.99Å; D614-A618 WeakPolarHBondContact O-CB 3.29Å; D614-A618 PolarHBondContact O-N 3.24Å |
| 615 | F | 90.4 | Very high | 89.7 | Confident | 6 Ų | 6 | 38 Ų | 38 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.3 | -46 | 173.3 | 178 | -101.9 | 0 | 0 | 0 | 112.6 | V487 V488 V610 D611 K617 A618 S619 R655 V656 A659 | V487-F615 HydrophobicContact CG1-CD2 4.36Å; V487-F615 HydrophobicContact CG1-CE2 4.39Å; V488-F615 HydrophobicContact CG2-CD2 3.97Å; V488-F615 HydrophobicContact CG2-CE2 3.81Å; V610-F615 HydrophobicContact CG1-CB 3.96Å; D611-F615 PolarHBondContact O-N 3.1Å; F615-K617 VanDerWaalsContact C-N 3.35Å; F615-A618 PolarHBondContact O-N 3.37Å; F615-S619 WeakPolarHBondContact CZ-OG 3.47Å; F615-S619 VanDerWaalsContact O-CB 3.29Å; F615-S619 WeakPolarHBondContact O-CB 3.46Å; F615-S619 PolarHBondContact O-N 3.33Å; F615-S619 PolarHBondContact O-OG 2.88Å; F615-R655 HydrophobicContact CE1-CB 4.48Å; F615-R655 VanDerWaalsContact CE2-NH2 3.3Å; F615-R655 HydrophobicContact CZ-CB 4.11Å; F615-V656 HydrophobicContact CE1-CG2 4.07Å; F615-A659 HydrophobicContact CD1-CB 4.17Å; F615-A659 HydrophobicContact CE1-CB 4.2Å |
| 616 | V | 89.3 | Confident | 89.8 | Confident | 9 Ų | 9 | 38.4 Ų | 38.4 | 6% | 0.055 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63 | -42.7 | 177.6 | 168.8 | 0 | 0 | 0 | 0 | 110.8 | P612 A613 S619 E620 V656 F721 L725 I727 | P612-V616 WeakPolarHBondContact O-CB 3.27Å; P612-V616 VanDerWaalsContact O-CG2 3.22Å; P612-V616 WeakPolarHBondContact O-CG2 3.36Å; P612-V616 PolarHBondContact O-N 3.06Å; A613-V616 PolarHBondContact O-N 3.28Å; V616-S619 PolarHBondContact O-N 3.29Å; V616-E620 WeakPolarHBondContact O-CB 3.35Å; V616-E620 PolarHBondContact O-N 2.81Å; V616-V656 HydrophobicContact CG2-CG1 4.07Å; V616-F721 HydrophobicContact CG1-CD1 4.18Å; V616-L725 HydrophobicContact CG1-CD1 3.95Å; V616-L725 HydrophobicContact CG2-CD1 4.24Å; V616-I727 HydrophobicContact CG2-CD1 4.16Å |
| 617 | K | 88.1 | Confident | 89.8 | Confident | 140 Ų | 140 | 38.8 Ų | 38.8 | 61% | 0.609 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -63.8 | -45.4 | 177.9 | -177.5 | -173.9 | 173.9 | -166.1 | 0 | 111.9 | A613 D614 F615 E620 E621 | A613-K617 WeakPolarHBondContact O-CB 3.43Å; A613-K617 PolarHBondContact O-N 2.88Å; D614-K617 PolarHBondContact O-N 2.99Å; F615-K617 VanDerWaalsContact C-N 3.35Å; K617-E620 PolarHBondContact O-N 2.84Å; K617-E621 PolarHBondContact O-N 3.02Å; K617-E621 VanDerWaalsContact O-N 3.11Å |
| 618 | A | 90 | Very high | 90 | Very high | 13 Ų | 13 | 41.8 Ų | 41.8 | 11% | 0.107 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.1 | -40.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | L484 V488 D614 F615 E620 E621 A622 | L484-A618 HydrophobicContact CB-CB 4.36Å; V488-A618 HydrophobicContact CG2-CB 3.77Å; D614-A618 WeakPolarHBondContact O-CB 3.29Å; D614-A618 PolarHBondContact O-N 3.24Å; F615-A618 PolarHBondContact O-N 3.37Å; A618-E620 PolarHBondContact O-N 3.17Å; A618-E621 PolarHBondContact O-N 3.09Å; A618-A622 PolarHBondContact O-N 3.19Å |
| 619 | S | 92.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.1 | -41.9 | 174.7 | -61.5 | 0 | 0 | 0 | 0 | 112.1 | F615 V616 E621 A622 M623 V656 | F615-S619 WeakPolarHBondContact CZ-OG 3.47Å; F615-S619 VanDerWaalsContact O-CB 3.29Å; F615-S619 WeakPolarHBondContact O-CB 3.46Å; F615-S619 PolarHBondContact O-N 3.33Å; F615-S619 PolarHBondContact O-OG 2.88Å; V616-S619 PolarHBondContact O-N 3.29Å; S619-E621 PolarHBondContact O-N 3.4Å; S619-A622 PolarHBondContact O-N 3.41Å; S619-M623 WeakPolarHBondContact O-CB 3.43Å; S619-M623 WeakPolarHBondContact O-CG 3.37Å; S619-M623 PolarHBondContact O-N 3.17Å; S619-V656 VanDerWaalsContact CB-CG2 3.48Å |
| 620 | E | 91.1 | Very high | 90.8 | Very high | 31 Ų | 31 | 41 Ų | 41 | 15% | 0.145 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.2 | -44.6 | 175 | -171.9 | -165.2 | 161.1 | 0 | 0 | 111.5 | V616 K617 A618 M623 R624 F721 | V616-E620 WeakPolarHBondContact O-CB 3.35Å; V616-E620 PolarHBondContact O-N 2.81Å; K617-E620 PolarHBondContact O-N 2.84Å; A618-E620 PolarHBondContact O-N 3.17Å; E620-M623 PolarHBondContact O-N 3.29Å; E620-R624 VanDerWaalsContact CD-NH2 3.31Å; E620-R624 WeakPolarHBondContact O-CB 3.37Å; E620-R624 PolarHBondContact O-N 2.89Å; E620-R624 IonicContact OE1-CZ 3.84Å; E620-R624 IonicContact OE1-NH2 2.82Å; E620-R624 PolarHBondContact OE1-NH2 3.09Å; E620-F721 HydrophobicContact CB-CB 4.19Å; E620-F721 HydrophobicContact CB-CD1 4.01Å; E620-F721 HydrophobicContact CB-CG 4.3Å; E620-F721 HydrophobicContact CG-CB 3.64Å; E620-F721 HydrophobicContact CG-CD1 4.32Å; E620-F721 HydrophobicContact CG-CG 4.1Å |
| 621 | E | 90.6 | Very high | 91 | Very high | 87 Ų | 87 | 43.5 Ų | 43.5 | 41% | 0.407 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.9 | -45.1 | 177.1 | -170.9 | 62.1 | -122.9 | 0 | 0 | 111.9 | K617 A618 S619 M623 R624 R625 | K617-E621 PolarHBondContact O-N 3.02Å; K617-E621 VanDerWaalsContact O-N 3.11Å; A618-E621 PolarHBondContact O-N 3.09Å; S619-E621 PolarHBondContact O-N 3.4Å; E621-M623 PolarHBondContact O-N 3.05Å; E621-R624 WeakPolarHBondContact O-CB 3.4Å; E621-R624 PolarHBondContact O-N 3.42Å; E621-R624 IonicContact OE1-NH1 3.83Å; E621-R624 PolarHBondContact OE1-NH1 3.32Å; E621-R624 IonicContact OE2-CZ 2.73Å; E621-R624 IonicContact OE2-NH1 2.79Å; E621-R624 PolarHBondContact OE2-NH1 3.34Å; E621-R625 WeakPolarHBondContact O-CG 3.3Å; E621-R625 PolarHBondContact O-N 3.34Å |
| 622 | A | 92 | Very high | 91.5 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.9 | -42.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V488 A618 S619 R624 R625 H626 L652 | V488-A622 HydrophobicContact CG1-CB 3.81Å; A618-A622 PolarHBondContact O-N 3.19Å; S619-A622 PolarHBondContact O-N 3.41Å; A622-R624 VanDerWaalsContact C-N 3.31Å; A622-R624 PolarHBondContact O-N 3.3Å; A622-R625 PolarHBondContact O-N 3.36Å; A622-H626 PolarHBondContact O-CD2 3.12Å; A622-H626 PolarHBondContact O-N 3.11Å; A622-L652 HydrophobicContact CB-CD1 3.71Å |
| 623 | M | 93.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.5 | -38.1 | 174.4 | -71.5 | 171.7 | 70.2 | 0 | 0 | 111.8 | S619 E620 E621 H626 G627 I649 L652 A653 V717 M718 F721 | S619-M623 WeakPolarHBondContact O-CB 3.43Å; S619-M623 WeakPolarHBondContact O-CG 3.37Å; S619-M623 PolarHBondContact O-N 3.17Å; E620-M623 PolarHBondContact O-N 3.29Å; E621-M623 PolarHBondContact O-N 3.05Å; M623-H626 PolarHBondContact O-N 3.34Å; M623-G627 PolarHBondContact O-N 3.33Å; M623-I649 HydrophobicContact CE-CG2 3.6Å; M623-I649 HydrophobicContact CG-CG2 4.38Å; M623-L652 HydrophobicContact CG-CB 3.62Å; M623-L652 HydrophobicContact CG-CD1 3.75Å; M623-L652 HydrophobicContact CG-CG 4.36Å; M623-L652 HydrophobicContact SD-CB 3.94Å; M623-A653 HydrophobicContact CE-CB 3.82Å; M623-A653 HydrophobicContact SD-CB 4.47Å; M623-V717 HydrophobicContact CE-CG1 3.5Å; M623-M718 HydrophobicContact CB-CE 4.25Å; M623-M718 HydrophobicContact CB-SD 3.9Å; M623-M718 HydrophobicContact CE-SD 4.32Å; M623-F721 HydrophobicContact CE-CD2 4.48Å; M623-F721 HydrophobicContact CE-CE2 3.58Å; M623-F721 HydrophobicContact CE-CZ 3.68Å; M623-F721 HydrophobicContact SD-CE1 3.92Å; M623-F721 HydrophobicContact SD-CE2 3.9Å; M623-F721 HydrophobicContact SD-CZ 3.44Å; M623-F721 WeakPolarHBondContact SD-CZ 3.44Å |
| 624 | R | 93.1 | Very high | 92.3 | Very high | 81 Ų | 81 | 45.4 Ų | 45.4 | 31% | 0.306 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65.9 | -42.3 | 175.9 | -160.5 | 179.5 | -53.5 | 101.1 | -1.1 | 111.9 | E620 E621 A622 G627 Q628 M718 | E620-R624 VanDerWaalsContact CD-NH2 3.31Å; E620-R624 WeakPolarHBondContact O-CB 3.37Å; E620-R624 PolarHBondContact O-N 2.89Å; E620-R624 IonicContact OE1-CZ 3.84Å; E620-R624 IonicContact OE1-NH2 2.82Å; E620-R624 PolarHBondContact OE1-NH2 3.09Å; E621-R624 WeakPolarHBondContact O-CB 3.4Å; E621-R624 PolarHBondContact O-N 3.42Å; E621-R624 IonicContact OE1-NH1 3.83Å; E621-R624 PolarHBondContact OE1-NH1 3.32Å; E621-R624 IonicContact OE2-CZ 2.73Å; E621-R624 IonicContact OE2-NH1 2.79Å; E621-R624 PolarHBondContact OE2-NH1 3.34Å; A622-R624 VanDerWaalsContact C-N 3.31Å; A622-R624 PolarHBondContact O-N 3.3Å; R624-G627 PolarHBondContact O-N 3.24Å; R624-Q628 WeakPolarHBondContact O-CG 3.39Å; R624-Q628 PolarHBondContact O-N 2.69Å; R624-M718 HydrophobicContact CB-CE 3.59Å; R624-M718 HydrophobicContact CG-CE 4Å |
| 625 | R | 92 | Very high | 92.5 | Very high | 99 Ų | 99 | 46.2 Ų | 46.2 | 37% | 0.374 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.6 | -47.8 | 173.3 | -72.5 | -173.2 | -80.2 | 135.8 | -10.7 | 111.1 | D485 E621 A622 G627 Q628 E629 | D485-R625 IonicContact OD1-NH2 2.7Å; E621-R625 WeakPolarHBondContact O-CG 3.3Å; E621-R625 PolarHBondContact O-N 3.34Å; A622-R625 PolarHBondContact O-N 3.36Å; R625-G627 VanDerWaalsContact C-N 3.33Å; R625-G627 PolarHBondContact O-N 3.42Å; R625-Q628 WeakPolarHBondContact O-CB 3.32Å; R625-Q628 PolarHBondContact O-N 2.96Å; R625-E629 PolarHBondContact O-N 2.85Å; R625-E629 VanDerWaalsContact O-N 3.08Å |
| 626 | H | 94.3 | Very high | 92.7 | Very high | 41 Ų | 41 | 50.9 Ų | 50.9 | 19% | 0.19 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.3 | -36.1 | 174.9 | -75.7 | -46 | 0 | 0 | 0 | 113.3 | A622 M623 Q628 E629 C630 H645 S648 I649 | A622-H626 PolarHBondContact O-CD2 3.12Å; A622-H626 PolarHBondContact O-N 3.11Å; M623-H626 PolarHBondContact O-N 3.34Å; H626-Q628 VanDerWaalsContact C-N 3.32Å; H626-Q628 PolarHBondContact O-N 3.36Å; H626-E629 PolarHBondContact O-N 2.99Å; H626-C630 PolarHBondContact O-N 2.93Å; H626-C630 PolarHBondContact O-SG 3.38Å; H626-H645 HydrophobicContact CB-CB 4.42Å; H626-H645 AromaticContact CE1-ND1 3.74Å; H626-H645 AromaticContact ND1-CE1 3.88Å; H626-H645 AromaticContact ND1-ND1 3.07Å; H626-H645 PolarHBondContact ND1-ND1 3.22Å; H626-S648 WeakPolarHBondContact NE2-CB 3.45Å; H626-I649 HydrophobicContact CB-CD1 4.05Å; H626-I649 HydrophobicContact CB-CG1 3.58Å |
| 627 | G | 93.8 | Very high | 92.8 | Very high | 9 Ų | 9 | 54 Ų | 54 | 9% | 0.093 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.3 | -40.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | M623 R624 R625 C630 E631 | M623-G627 PolarHBondContact O-N 3.33Å; R624-G627 PolarHBondContact O-N 3.24Å; R625-G627 VanDerWaalsContact C-N 3.33Å; R625-G627 PolarHBondContact O-N 3.42Å; G627-C630 WeakPolarHBondContact O-CB 3.31Å; G627-C630 PolarHBondContact O-N 3.09Å; G627-E631 PolarHBondContact O-N 3.45Å; G627-E631 VanDerWaalsContact O-N 3.12Å |
| 628 | Q | 95 | Very high | 93 | Very high | 106 Ų | 106 | 50.4 Ų | 50.4 | 50% | 0.495 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.7 | -38.8 | 174.6 | -67.3 | 172 | 6 | 0 | 0 | 112.3 | R624 R625 H626 E631 K632 | R624-Q628 WeakPolarHBondContact O-CG 3.39Å; R624-Q628 PolarHBondContact O-N 2.69Å; R625-Q628 WeakPolarHBondContact O-CB 3.32Å; R625-Q628 PolarHBondContact O-N 2.96Å; H626-Q628 VanDerWaalsContact C-N 3.32Å; H626-Q628 PolarHBondContact O-N 3.36Å; Q628-E631 PolarHBondContact O-N 3.3Å; Q628-K632 WeakPolarHBondContact O-CG 3.22Å; Q628-K632 PolarHBondContact O-N 3.08Å |
| 629 | E | 95.6 | Very high | 93.2 | Very high | 69 Ų | 69 | 52.1 Ų | 52.1 | 32% | 0.322 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -68.8 | -33.4 | 175.2 | -64.8 | -55.8 | 134.8 | 0 | 0 | 112.4 | R625 H626 K632 A633 H645 | R625-E629 PolarHBondContact O-N 2.85Å; R625-E629 VanDerWaalsContact O-N 3.08Å; H626-E629 PolarHBondContact O-N 2.99Å; E629-K632 PolarHBondContact O-N 3.43Å; E629-K632 IonicContact OE1-NZ 3.81Å; E629-K632 PolarHBondContact OE1-NZ 3.19Å; E629-K632 IonicContact OE2-NZ 3.77Å; E629-A633 WeakPolarHBondContact O-CB 3.39Å; E629-A633 PolarHBondContact O-N 2.93Å; E629-H645 VanDerWaalsContact CB-CD2 3.42Å; E629-H645 WeakPolarHBondContact CB-CD2 3.49Å; E629-H645 WeakPolarHBondContact CB-NE2 3.46Å |
| 630 | C | 94.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.2 | -45 | 168.9 | -74.4 | 0 | 0 | 0 | 0 | 111.6 | H626 G627 K632 A633 I634 H645 T646 W710 | H626-C630 PolarHBondContact O-N 2.93Å; H626-C630 PolarHBondContact O-SG 3.38Å; G627-C630 WeakPolarHBondContact O-CB 3.31Å; G627-C630 PolarHBondContact O-N 3.09Å; C630-K632 VanDerWaalsContact C-N 3.34Å; C630-K632 PolarHBondContact O-N 3.28Å; C630-A633 PolarHBondContact O-N 3.18Å; C630-I634 VanDerWaalsContact O-CG1 3.23Å; C630-I634 WeakPolarHBondContact O-CG1 3.31Å; C630-I634 PolarHBondContact O-N 3.46Å; C630-H645 WeakPolarHBondContact SG-CB 3.34Å; C630-T646 PolarHBondContact SG-OG1 2.63Å; C630-W710 HydrophobicContact CB-CH2 3.26Å; C630-W710 HydrophobicContact CB-CZ2 3.63Å; C630-W710 HydrophobicContact CB-CZ3 4.1Å |
| 631 | E | 93.5 | Very high | 93.3 | Very high | 62 Ų | 62 | 61.2 Ų | 61.2 | 29% | 0.29 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.2 | -42 | 176.6 | -71.5 | -65.8 | 159.6 | 0 | 0 | 111.9 | G627 Q628 I634 S635 R711 | G627-E631 PolarHBondContact O-N 3.45Å; G627-E631 VanDerWaalsContact O-N 3.12Å; Q628-E631 PolarHBondContact O-N 3.3Å; E631-I634 PolarHBondContact O-N 2.7Å; E631-S635 WeakPolarHBondContact O-CB 3.39Å; E631-S635 PolarHBondContact O-N 3.33Å; E631-S635 PolarHBondContact O-OG 2.87Å; E631-R711 WeakPolarHBondContact OE1-CG 3.31Å; E631-R711 IonicContact OE1-CZ 2.84Å; E631-R711 IonicContact OE1-NE 3.27Å; E631-R711 PolarHBondContact OE1-NE 3.13Å; E631-R711 IonicContact OE1-NH2 3.42Å; E631-R711 IonicContact OE2-CZ 3.39Å; E631-R711 IonicContact OE2-NE 2.76Å; E631-R711 PolarHBondContact OE2-NE 3.38Å; E631-R711 IonicContact OE2-NH2 3.7Å; E631-R711 PolarHBondContact OE2-NH2 2.86Å |
| 632 | K | 94.7 | Very high | 93.4 | Very high | 103 Ų | 103 | 57.1 Ų | 57.1 | 45% | 0.448 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.6 | -46.6 | 173.2 | -69.4 | 175 | -171.5 | 168.7 | 0 | 111.5 | Q628 E629 C630 I634 S635 N636 | Q628-K632 WeakPolarHBondContact O-CG 3.22Å; Q628-K632 PolarHBondContact O-N 3.08Å; E629-K632 PolarHBondContact O-N 3.43Å; E629-K632 IonicContact OE1-NZ 3.81Å; E629-K632 PolarHBondContact OE1-NZ 3.19Å; E629-K632 IonicContact OE2-NZ 3.77Å; C630-K632 VanDerWaalsContact C-N 3.34Å; C630-K632 PolarHBondContact O-N 3.28Å; K632-I634 VanDerWaalsContact C-N 3.32Å; K632-I634 PolarHBondContact O-N 3.08Å; K632-S635 WeakPolarHBondContact CA-OG 3.26Å; K632-S635 PolarHBondContact O-N 3.48Å; K632-S635 PolarHBondContact O-OG 3.2Å; K632-N636 WeakPolarHBondContact O-CB 3.44Å; K632-N636 PolarHBondContact O-N 3.08Å; K632-N636 PolarHBondContact O-ND2 2.95Å |
| 633 | A | 94.3 | Very high | 93.4 | Very high | 2 Ų | 2 | 59.2 Ų | 59.2 | 2% | 0.017 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.7 | -39 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E629 C630 N636 N637 E638 K641 M642 | E629-A633 WeakPolarHBondContact O-CB 3.39Å; E629-A633 PolarHBondContact O-N 2.93Å; C630-A633 PolarHBondContact O-N 3.18Å; A633-N636 PolarHBondContact O-N 3.39Å; A633-N637 PolarHBondContact O-N 3.3Å; A633-E638 HydrophobicContact CB-CB 4.36Å; A633-E638 PolarHBondContact O-N 3.37Å; A633-K641 HydrophobicContact CB-CB 3.93Å; A633-M642 HydrophobicContact CB-CB 3.92Å |
| 634 | I | 92.7 | Very high | 93.4 | Very high | 20 Ų | 20 | 62.9 Ų | 62.9 | 10% | 0.103 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.6 | -48.5 | 173.4 | -67.9 | 165.1 | 0 | 0 | 0 | 110 | C630 E631 K632 N636 N637 M642 V697 V707 W710 | C630-I634 VanDerWaalsContact O-CG1 3.23Å; C630-I634 WeakPolarHBondContact O-CG1 3.31Å; C630-I634 PolarHBondContact O-N 3.46Å; E631-I634 PolarHBondContact O-N 2.7Å; K632-I634 VanDerWaalsContact C-N 3.32Å; K632-I634 PolarHBondContact O-N 3.08Å; I634-N636 VanDerWaalsContact C-N 3.27Å; I634-N636 PolarHBondContact O-N 2.91Å; I634-N637 PolarHBondContact O-N 3.04Å; I634-N637 VanDerWaalsContact O-N 3.13Å; I634-M642 HydrophobicContact CD1-CE 4.43Å; I634-M642 HydrophobicContact CD1-CG 4.31Å; I634-M642 HydrophobicContact CG1-CG 3.92Å; I634-V697 HydrophobicContact CD1-CG1 4.09Å; I634-V697 HydrophobicContact CG1-CG1 3.9Å; I634-V707 HydrophobicContact CD1-CG1 4.3Å; I634-V707 HydrophobicContact CG2-CG1 4.14Å; I634-V707 HydrophobicContact CG2-CG2 3.78Å; I634-W710 HydrophobicContact CD1-CE3 3.95Å; I634-W710 HydrophobicContact CD1-CZ3 3.99Å |
| 635 | S | 92.6 | Very high | 93.5 | Very high | 91 Ų | 91 | 61 Ų | 61 | 64% | 0.636 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62.5 | -32.8 | -180 | 71.7 | 0 | 0 | 0 | 0 | 113.5 | E631 K632 | E631-S635 WeakPolarHBondContact O-CB 3.39Å; E631-S635 PolarHBondContact O-N 3.33Å; E631-S635 PolarHBondContact O-OG 2.87Å; K632-S635 WeakPolarHBondContact CA-OG 3.26Å; K632-S635 PolarHBondContact O-N 3.48Å; K632-S635 PolarHBondContact O-OG 3.2Å |
| 636 | N | 93.5 | Very high | 93.6 | Very high | 104 Ų | 104 | 56.5 Ų | 56.5 | 56% | 0.556 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 0.3 | 179.1 | -65.8 | -25 | 0 | 0 | 0 | 113.5 | K632 A633 I634 E638 | K632-N636 WeakPolarHBondContact O-CB 3.44Å; K632-N636 PolarHBondContact O-N 3.08Å; K632-N636 PolarHBondContact O-ND2 2.95Å; A633-N636 PolarHBondContact O-N 3.39Å; I634-N636 VanDerWaalsContact C-N 3.27Å; I634-N636 PolarHBondContact O-N 2.91Å; N636-E638 HydrophobicContact CB-CG 3.94Å |
| 637 | N | 91.5 | Very high | 93.6 | Very high | 76 Ų | 76 | 56.6 Ų | 56.6 | 41% | 0.406 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 45.4 | -177.1 | -166.1 | 67.3 | 0 | 0 | 0 | 113.3 | A633 I634 P639 P701 | A633-N637 PolarHBondContact O-N 3.3Å; I634-N637 PolarHBondContact O-N 3.04Å; I634-N637 VanDerWaalsContact O-N 3.13Å; N637-P639 WeakPolarHBondContact O-CD 3.49Å; N637-P701 WeakPolarHBondContact OD1-CB 3.25Å |
| 638 | E | 93.7 | Very high | 93.5 | Very high | 63 Ų | 63 | 57.3 Ų | 57.3 | 29% | 0.294 | 30% | 0.299 | S | S | . | . | trans | -109.6 | 77.5 | -179.5 | -62.6 | -178.9 | 137.6 | 0 | 0 | 110.8 | A633 N636 Q640 K641 M642 | A633-E638 HydrophobicContact CB-CB 4.36Å; A633-E638 PolarHBondContact O-N 3.37Å; N636-E638 HydrophobicContact CB-CG 3.94Å; E638-Q640 VanDerWaalsContact C-N 3.32Å; E638-Q640 PolarHBondContact O-N 2.95Å; E638-K641 HydrophobicContact CB-CB 4.24Å; E638-K641 HydrophobicContact CB-CD 4.38Å; E638-K641 HydrophobicContact CB-CG 4.29Å; E638-K641 PolarHBondContact O-N 2.98Å; E638-K641 WeakPolarHBondContact OE1-CE 3.32Å; E638-K641 IonicContact OE1-NZ 2.73Å; E638-K641 PolarHBondContact OE1-NZ 3.44Å; E638-K641 VanDerWaalsContact OE2-CD 3.25Å; E638-K641 WeakPolarHBondContact OE2-CD 3.38Å; E638-K641 WeakPolarHBondContact OE2-CE 3.35Å; E638-K641 IonicContact OE2-NZ 2.72Å; E638-K641 PolarHBondContact OE2-NZ 3.21Å; E638-M642 PolarHBondContact O-N 3.4Å | ||
| 639 | P | 92.4 | Very high | 93.5 | Very high | 50 Ų | 50 | 52.3 Ų | 52.3 | 33% | 0.325 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.2 | -35.9 | -171.1 | 22.9 | -33.9 | 0 | 0 | 0 | 113.4 | N637 M642 V643 A698 P701 | N637-P639 WeakPolarHBondContact O-CD 3.49Å; P639-M642 WeakPolarHBondContact O-CB 3.47Å; P639-M642 PolarHBondContact O-N 3.47Å; P639-V643 WeakPolarHBondContact O-CG2 3.5Å; P639-V643 PolarHBondContact O-N 3.4Å; P639-A698 HydrophobicContact CB-CB 4.26Å; P639-A698 WeakPolarHBondContact CB-O 3.18Å; P639-P701 HydrophobicContact CB-CG 4.02Å; P639-P701 HydrophobicContact CG-CG 4.45Å |
| 640 | Q | 92.2 | Very high | 93.4 | Very high | 124 Ų | 124 | 49.5 Ų | 49.5 | 58% | 0.579 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -64.5 | -45.5 | 179.4 | -173 | 59.2 | 43 | 0 | 0 | 111.8 | E638 M642 V643 D644 | E638-Q640 VanDerWaalsContact C-N 3.32Å; E638-Q640 PolarHBondContact O-N 2.95Å; Q640-M642 VanDerWaalsContact C-N 3.27Å; Q640-M642 PolarHBondContact O-N 3.29Å; Q640-V643 PolarHBondContact O-N 3.41Å; Q640-V643 VanDerWaalsContact O-N 3.14Å; Q640-D644 PolarHBondContact NE2-OD1 3.5Å; Q640-D644 PolarHBondContact O-N 3.13Å |
| 641 | K | 93.5 | Very high | 93.3 | Very high | 98 Ų | 98 | 53.4 Ų | 53.4 | 43% | 0.426 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.3 | -37.6 | 177.5 | -65.3 | -164.7 | -162.4 | 157.7 | 0 | 111.7 | A633 E638 D644 H645 | A633-K641 HydrophobicContact CB-CB 3.93Å; E638-K641 HydrophobicContact CB-CB 4.24Å; E638-K641 HydrophobicContact CB-CD 4.38Å; E638-K641 HydrophobicContact CB-CG 4.29Å; E638-K641 PolarHBondContact O-N 2.98Å; E638-K641 WeakPolarHBondContact OE1-CE 3.32Å; E638-K641 IonicContact OE1-NZ 2.73Å; E638-K641 PolarHBondContact OE1-NZ 3.44Å; E638-K641 VanDerWaalsContact OE2-CD 3.25Å; E638-K641 WeakPolarHBondContact OE2-CD 3.38Å; E638-K641 WeakPolarHBondContact OE2-CE 3.35Å; E638-K641 IonicContact OE2-NZ 2.72Å; E638-K641 PolarHBondContact OE2-NZ 3.21Å; K641-D644 PolarHBondContact O-N 2.95Å; K641-H645 PolarHBondContact O-CD2 2.88Å; K641-H645 PolarHBondContact O-N 3.02Å |
| 642 | M | 93.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.7 | -43.9 | 174.9 | -176.1 | -81 | 171.8 | 0 | 0 | 111.7 | A633 I634 E638 P639 Q640 T646 A694 V697 W710 | A633-M642 HydrophobicContact CB-CB 3.92Å; I634-M642 HydrophobicContact CD1-CE 4.43Å; I634-M642 HydrophobicContact CD1-CG 4.31Å; I634-M642 HydrophobicContact CG1-CG 3.92Å; E638-M642 PolarHBondContact O-N 3.4Å; P639-M642 WeakPolarHBondContact O-CB 3.47Å; P639-M642 PolarHBondContact O-N 3.47Å; Q640-M642 VanDerWaalsContact C-N 3.27Å; Q640-M642 PolarHBondContact O-N 3.29Å; M642-T646 WeakPolarHBondContact O-CB 3.44Å; M642-T646 PolarHBondContact O-N 3.28Å; M642-T646 PolarHBondContact O-OG1 3.38Å; M642-A694 HydrophobicContact CE-CB 3.61Å; M642-A694 HydrophobicContact SD-CB 4.02Å; M642-V697 HydrophobicContact CE-CB 3.91Å; M642-V697 HydrophobicContact CE-CG1 4Å; M642-V697 HydrophobicContact CE-CG2 4.31Å; M642-V697 HydrophobicContact CG-CG1 4.37Å; M642-V697 HydrophobicContact SD-CB 4.31Å; M642-V697 HydrophobicContact SD-CG1 4.25Å; M642-W710 HydrophobicContact CE-CD2 3.65Å; M642-W710 HydrophobicContact CE-CE3 4.35Å; M642-W710 HydrophobicContact CE-CG 3.77Å; M642-W710 HydrophobicContact CE-CZ2 4.18Å |
| 643 | V | 92.8 | Very high | 93.2 | Very high | 45 Ų | 45 | 45.8 Ų | 45.8 | 27% | 0.273 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.4 | -42.4 | 175.7 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | P639 Q640 T646 S647 A698 | P639-V643 WeakPolarHBondContact O-CG2 3.5Å; P639-V643 PolarHBondContact O-N 3.4Å; Q640-V643 PolarHBondContact O-N 3.41Å; Q640-V643 VanDerWaalsContact O-N 3.14Å; V643-T646 PolarHBondContact O-N 3Å; V643-S647 VanDerWaalsContact O-CB 3.3Å; V643-S647 WeakPolarHBondContact O-CB 3.45Å; V643-S647 PolarHBondContact O-N 3.38Å; V643-S647 PolarHBondContact O-OG 3.49Å; V643-A698 HydrophobicContact CG2-CB 3.47Å; V643-A698 VanDerWaalsContact CG2-CB 3.47Å |
| 644 | D | 92.3 | Very high | 93.2 | Very high | 76 Ų | 76 | 49 Ų | 49 | 41% | 0.406 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.5 | -48.1 | -179.2 | -64.3 | -22.8 | 0 | 0 | 0 | 111.3 | Q640 K641 S647 S648 | Q640-D644 PolarHBondContact NE2-OD1 3.5Å; Q640-D644 PolarHBondContact O-N 3.13Å; K641-D644 PolarHBondContact O-N 2.95Å; D644-S647 WeakPolarHBondContact O-CB 3.32Å; D644-S647 PolarHBondContact O-N 2.83Å; D644-S648 PolarHBondContact O-N 3.32Å; D644-S648 PolarHBondContact O-OG 3.14Å |
| 645 | H | 94.6 | Very high | 93.1 | Very high | 43 Ų | 43 | 48.5 Ų | 48.5 | 20% | 0.199 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.2 | -40.4 | 177.5 | -73.1 | -50.8 | 0 | 0 | 0 | 112.5 | H626 E629 C630 K641 S647 S648 I649 | H626-H645 HydrophobicContact CB-CB 4.42Å; H626-H645 AromaticContact CE1-ND1 3.74Å; H626-H645 AromaticContact ND1-CE1 3.88Å; H626-H645 AromaticContact ND1-ND1 3.07Å; H626-H645 PolarHBondContact ND1-ND1 3.22Å; E629-H645 VanDerWaalsContact CB-CD2 3.42Å; E629-H645 WeakPolarHBondContact CB-CD2 3.49Å; E629-H645 WeakPolarHBondContact CB-NE2 3.46Å; C630-H645 WeakPolarHBondContact SG-CB 3.34Å; K641-H645 PolarHBondContact O-CD2 2.88Å; K641-H645 PolarHBondContact O-N 3.02Å; H645-S647 VanDerWaalsContact C-N 3.28Å; H645-S647 PolarHBondContact O-N 2.73Å; H645-S648 WeakPolarHBondContact O-CB 3.45Å; H645-S648 PolarHBondContact O-N 3Å; H645-S648 VanDerWaalsContact O-N 3.17Å; H645-I649 WeakPolarHBondContact O-CG1 3.49Å; H645-I649 PolarHBondContact O-N 3.45Å |
| 646 | T | 94.8 | Very high | 93 | Very high | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.018 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.5 | -37.4 | 174 | -57 | 0 | 0 | 0 | 0 | 111.7 | C630 M642 V643 S648 I649 A650 M690 A694 | C630-T646 PolarHBondContact SG-OG1 2.63Å; M642-T646 WeakPolarHBondContact O-CB 3.44Å; M642-T646 PolarHBondContact O-N 3.28Å; M642-T646 PolarHBondContact O-OG1 3.38Å; V643-T646 PolarHBondContact O-N 3Å; T646-S648 VanDerWaalsContact C-N 3.32Å; T646-S648 PolarHBondContact O-N 2.92Å; T646-I649 WeakPolarHBondContact O-CB 3.45Å; T646-I649 PolarHBondContact O-N 3Å; T646-A650 PolarHBondContact O-N 3.26Å; T646-M690 HydrophobicContact CG2-CE 3.91Å; T646-M690 HydrophobicContact CG2-CG 4.46Å; T646-M690 HydrophobicContact CG2-SD 4.45Å; T646-A694 HydrophobicContact CG2-CB 3.61Å |
| 647 | S | 93.4 | Very high | 92.9 | Very high | 43 Ų | 43 | 39.9 Ų | 39.9 | 30% | 0.301 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.9 | -38.4 | 175.1 | -60.9 | 0 | 0 | 0 | 0 | 111.4 | V643 D644 H645 A650 R651 | V643-S647 VanDerWaalsContact O-CB 3.3Å; V643-S647 WeakPolarHBondContact O-CB 3.45Å; V643-S647 PolarHBondContact O-N 3.38Å; V643-S647 PolarHBondContact O-OG 3.49Å; D644-S647 WeakPolarHBondContact O-CB 3.32Å; D644-S647 PolarHBondContact O-N 2.83Å; H645-S647 VanDerWaalsContact C-N 3.28Å; H645-S647 PolarHBondContact O-N 2.73Å; S647-A650 PolarHBondContact O-N 3.01Å; S647-R651 WeakPolarHBondContact O-CG 3.46Å; S647-R651 PolarHBondContact O-N 2.91Å |
| 648 | S | 93.1 | Very high | 92.8 | Very high | 25 Ų | 25 | 41 Ų | 41 | 18% | 0.175 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.3 | -42.8 | 171.8 | -66.9 | 0 | 0 | 0 | 0 | 112.6 | H626 D644 H645 T646 A650 R651 L652 | H626-S648 WeakPolarHBondContact NE2-CB 3.45Å; D644-S648 PolarHBondContact O-N 3.32Å; D644-S648 PolarHBondContact O-OG 3.14Å; H645-S648 WeakPolarHBondContact O-CB 3.45Å; H645-S648 PolarHBondContact O-N 3Å; H645-S648 VanDerWaalsContact O-N 3.17Å; T646-S648 VanDerWaalsContact C-N 3.32Å; T646-S648 PolarHBondContact O-N 2.92Å; S648-A650 VanDerWaalsContact C-N 3.32Å; S648-A650 PolarHBondContact O-N 3.44Å; S648-R651 PolarHBondContact O-N 2.95Å; S648-R651 PolarHBondContact OG-NH2 3.44Å; S648-L652 WeakPolarHBondContact O-CG 3.5Å; S648-L652 PolarHBondContact O-N 2.92Å |
| 649 | I | 94.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.2 | -46.9 | 173.6 | -63.6 | 170.3 | 0 | 0 | 0 | 110.4 | M623 H626 H645 T646 R651 L652 A653 M690 | M623-I649 HydrophobicContact CE-CG2 3.6Å; M623-I649 HydrophobicContact CG-CG2 4.38Å; H626-I649 HydrophobicContact CB-CD1 4.05Å; H626-I649 HydrophobicContact CB-CG1 3.58Å; H645-I649 WeakPolarHBondContact O-CG1 3.49Å; H645-I649 PolarHBondContact O-N 3.45Å; T646-I649 WeakPolarHBondContact O-CB 3.45Å; T646-I649 PolarHBondContact O-N 3Å; I649-R651 PolarHBondContact O-N 3.37Å; I649-L652 PolarHBondContact O-N 3.3Å; I649-A653 WeakPolarHBondContact O-CB 3.46Å; I649-A653 PolarHBondContact O-N 3.39Å; I649-M690 HydrophobicContact CB-CE 4.41Å; I649-M690 HydrophobicContact CB-SD 4.48Å; I649-M690 HydrophobicContact CG2-CE 4.03Å; I649-M690 HydrophobicContact CG2-SD 3.69Å |
| 650 | A | 93.5 | Very high | 92.3 | Very high | 11 Ų | 11 | 36.6 Ų | 36.6 | 9% | 0.091 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.8 | -39.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T646 S647 S648 A653 N654 I687 M690 V691 | T646-A650 PolarHBondContact O-N 3.26Å; S647-A650 PolarHBondContact O-N 3.01Å; S648-A650 VanDerWaalsContact C-N 3.32Å; S648-A650 PolarHBondContact O-N 3.44Å; A650-A653 PolarHBondContact O-N 3.01Å; A650-N654 WeakPolarHBondContact O-CB 3.35Å; A650-N654 PolarHBondContact O-N 3.06Å; A650-N654 PolarHBondContact O-ND2 3.4Å; A650-I687 HydrophobicContact CB-CG2 4.11Å; A650-M690 HydrophobicContact CB-CE 3.92Å; A650-V691 HydrophobicContact CB-CG2 3.78Å |
| 651 | R | 93 | Very high | 92.1 | Very high | 82 Ų | 82 | 33.6 Ų | 33.6 | 31% | 0.309 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -65.7 | -44.9 | 176.7 | -74.8 | -174.2 | -71.1 | -107.9 | -6.1 | 112.4 | D493 S647 S648 I649 N654 R655 | D493-R651 WeakPolarHBondContact OD2-CD 3.46Å; D493-R651 IonicContact OD2-NH1 2.6Å; S647-R651 WeakPolarHBondContact O-CG 3.46Å; S647-R651 PolarHBondContact O-N 2.91Å; S648-R651 PolarHBondContact O-N 2.95Å; S648-R651 PolarHBondContact OG-NH2 3.44Å; I649-R651 PolarHBondContact O-N 3.37Å; R651-N654 PolarHBondContact O-N 3.27Å; R651-R655 PolarHBondContact O-N 3.36Å |
| 652 | L | 93 | Very high | 91.9 | Very high | 5 Ų | 5 | 30.4 Ų | 30.4 | 3% | 0.026 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.9 | -42.4 | 175.6 | -68.8 | 177.6 | 0 | 0 | 0 | 111.7 | V488 A492 A622 M623 S648 I649 N654 R655 V656 | V488-L652 HydrophobicContact CG1-CD1 4.48Å; V488-L652 HydrophobicContact CG1-CD2 3.52Å; A492-L652 HydrophobicContact CB-CD2 4.02Å; A622-L652 HydrophobicContact CB-CD1 3.71Å; M623-L652 HydrophobicContact CG-CB 3.62Å; M623-L652 HydrophobicContact CG-CD1 3.75Å; M623-L652 HydrophobicContact CG-CG 4.36Å; M623-L652 HydrophobicContact SD-CB 3.94Å; S648-L652 WeakPolarHBondContact O-CG 3.5Å; S648-L652 PolarHBondContact O-N 2.92Å; I649-L652 PolarHBondContact O-N 3.3Å; L652-N654 VanDerWaalsContact C-N 3.34Å; L652-N654 PolarHBondContact O-N 2.95Å; L652-R655 WeakPolarHBondContact O-CB 3.37Å; L652-R655 PolarHBondContact O-N 3.13Å; L652-V656 WeakPolarHBondContact O-CG2 3.49Å; L652-V656 PolarHBondContact O-N 3.47Å |
| 653 | A | 93 | Very high | 91.6 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.9 | -41.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | M623 I649 A650 V656 L657 L683 I687 V717 | M623-A653 HydrophobicContact CE-CB 3.82Å; M623-A653 HydrophobicContact SD-CB 4.47Å; I649-A653 WeakPolarHBondContact O-CB 3.46Å; I649-A653 PolarHBondContact O-N 3.39Å; A650-A653 PolarHBondContact O-N 3.01Å; A653-V656 PolarHBondContact O-N 3.43Å; A653-L657 WeakPolarHBondContact O-CB 3.26Å; A653-L657 PolarHBondContact O-N 3.14Å; A653-L683 HydrophobicContact CB-CD1 4.31Å; A653-I687 HydrophobicContact CB-CD1 3.67Å; A653-I687 HydrophobicContact CB-CG1 3.79Å; A653-V717 HydrophobicContact CB-CG1 4.44Å |
| 654 | N | 92.8 | Very high | 91.4 | Very high | 70 Ų | 70 | 30.3 Ų | 30.3 | 37% | 0.374 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -66.9 | -36.5 | 174.4 | -78.4 | -61.3 | 0 | 0 | 0 | 112.4 | A650 R651 L652 V656 L657 M658 | A650-N654 WeakPolarHBondContact O-CB 3.35Å; A650-N654 PolarHBondContact O-N 3.06Å; A650-N654 PolarHBondContact O-ND2 3.4Å; R651-N654 PolarHBondContact O-N 3.27Å; L652-N654 VanDerWaalsContact C-N 3.34Å; L652-N654 PolarHBondContact O-N 2.95Å; N654-V656 VanDerWaalsContact C-N 3.35Å; N654-L657 WeakPolarHBondContact O-CB 3.34Å; N654-L657 PolarHBondContact O-N 3.03Å; N654-M658 WeakPolarHBondContact O-CG 3.49Å; N654-M658 PolarHBondContact O-N 3.27Å |
| 655 | R | 91.5 | Very high | 91.4 | Very high | 9 Ų | 9 | 33.7 Ų | 33.7 | 3% | 0.034 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.5 | -43.5 | 173.1 | -84.8 | -77.8 | -62.6 | 149 | 0.1 | 111.9 | F491 D607 F615 R651 L652 L657 M658 A659 | F491-R655 WeakPolarHBondContact O-CD 3.35Å; D607-R655 IonicContact OD1-CZ 2.88Å; D607-R655 IonicContact OD1-NH1 3.99Å; D607-R655 PolarHBondContact OD1-NH1 3.32Å; D607-R655 IonicContact OD1-NH2 3.22Å; D607-R655 PolarHBondContact OD1-NH2 2.91Å; D607-R655 IonicContact OD2-CZ 2.93Å; D607-R655 IonicContact OD2-NH1 3.99Å; D607-R655 PolarHBondContact OD2-NH1 3.3Å; D607-R655 IonicContact OD2-NH2 3.9Å; F615-R655 HydrophobicContact CE1-CB 4.48Å; F615-R655 VanDerWaalsContact CE2-NH2 3.3Å; F615-R655 HydrophobicContact CZ-CB 4.11Å; R651-R655 PolarHBondContact O-N 3.36Å; L652-R655 WeakPolarHBondContact O-CB 3.37Å; L652-R655 PolarHBondContact O-N 3.13Å; R655-L657 VanDerWaalsContact C-N 3.35Å; R655-M658 WeakPolarHBondContact O-CB 3.29Å; R655-M658 PolarHBondContact O-N 3.19Å; R655-A659 PolarHBondContact O-N 3.01Å |
| 656 | V | 90.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.1 | -38 | 176 | 169.3 | 0 | 0 | 0 | 0 | 111.2 | F615 V616 S619 L652 A653 N654 M658 A659 T660 L683 F721 L725 | F615-V656 HydrophobicContact CE1-CG2 4.07Å; V616-V656 HydrophobicContact CG2-CG1 4.07Å; S619-V656 VanDerWaalsContact CB-CG2 3.48Å; L652-V656 WeakPolarHBondContact O-CG2 3.49Å; L652-V656 PolarHBondContact O-N 3.47Å; A653-V656 PolarHBondContact O-N 3.43Å; N654-V656 VanDerWaalsContact C-N 3.35Å; V656-M658 VanDerWaalsContact C-N 3.34Å; V656-M658 PolarHBondContact O-N 3.25Å; V656-A659 PolarHBondContact O-N 2.99Å; V656-T660 WeakPolarHBondContact O-CB 3.49Å; V656-T660 PolarHBondContact O-N 3.32Å; V656-T660 PolarHBondContact O-OG1 3.43Å; V656-L683 HydrophobicContact CB-CD2 4.43Å; V656-L683 HydrophobicContact CG1-CD2 4.06Å; V656-F721 HydrophobicContact CB-CE1 3.99Å; V656-F721 HydrophobicContact CB-CZ 4.28Å; V656-F721 HydrophobicContact CG1-CE1 3.66Å; V656-F721 HydrophobicContact CG1-CZ 4.14Å; V656-F721 HydrophobicContact CG2-CE1 3.83Å; V656-F721 HydrophobicContact CG2-CZ 4.41Å; V656-L725 HydrophobicContact CG1-CD1 3.33Å |
| 657 | L | 90.6 | Very high | 90.9 | Very high | 13 Ų | 13 | 32.8 Ų | 32.8 | 7% | 0.068 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.3 | -46.9 | 171.1 | -177.3 | 76.2 | 0 | 0 | 0 | 111.3 | A653 N654 R655 T660 K661 A680 L683 Q684 | A653-L657 WeakPolarHBondContact O-CB 3.26Å; A653-L657 PolarHBondContact O-N 3.14Å; N654-L657 WeakPolarHBondContact O-CB 3.34Å; N654-L657 PolarHBondContact O-N 3.03Å; R655-L657 VanDerWaalsContact C-N 3.35Å; L657-T660 PolarHBondContact O-N 3.26Å; L657-K661 HydrophobicContact CG-CD 4.49Å; L657-K661 WeakPolarHBondContact O-CG 3.42Å; L657-K661 PolarHBondContact O-N 3.26Å; L657-A680 HydrophobicContact CD1-CB 3.65Å; L657-A680 WeakPolarHBondContact CD1-O 3.39Å; L657-L683 HydrophobicContact CB-CD2 4.36Å; L657-Q684 HydrophobicContact CD1-CB 3.95Å; L657-Q684 HydrophobicContact CD2-CB 4.05Å; L657-Q684 HydrophobicContact CD2-CG 4.12Å |
| 658 | M | 89.5 | Confident | 90.8 | Very high | 99 Ų | 99 | 35.4 Ų | 35.4 | 49% | 0.488 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61.9 | -46.7 | 177.2 | -69.5 | -177.7 | 77.1 | 0 | 0 | 111.8 | N654 R655 V656 T660 K661 G662 | N654-M658 WeakPolarHBondContact O-CG 3.49Å; N654-M658 PolarHBondContact O-N 3.27Å; R655-M658 WeakPolarHBondContact O-CB 3.29Å; R655-M658 PolarHBondContact O-N 3.19Å; V656-M658 VanDerWaalsContact C-N 3.34Å; V656-M658 PolarHBondContact O-N 3.25Å; M658-T660 VanDerWaalsContact C-N 3.34Å; M658-T660 PolarHBondContact O-N 3.05Å; M658-K661 PolarHBondContact O-N 3Å; M658-G662 PolarHBondContact O-N 3.44Å |
| 659 | A | 87.1 | Confident | 90.6 | Very high | 22 Ų | 22 | 36.7 Ų | 36.7 | 18% | 0.182 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.8 | -43.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | F615 R655 V656 G662 Q663 | F615-A659 HydrophobicContact CD1-CB 4.17Å; F615-A659 HydrophobicContact CE1-CB 4.2Å; R655-A659 PolarHBondContact O-N 3.01Å; V656-A659 PolarHBondContact O-N 2.99Å; A659-G662 PolarHBondContact O-N 2.93Å; A659-Q663 WeakPolarHBondContact O-CG 3.35Å; A659-Q663 PolarHBondContact O-N 2.78Å |
| 660 | T | 88.2 | Confident | 90.3 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.5 | -45.7 | 179.2 | -54.6 | 0 | 0 | 0 | 0 | 111.8 | V656 L657 M658 Q663 A664 L676 A680 L725 | V656-T660 WeakPolarHBondContact O-CB 3.49Å; V656-T660 PolarHBondContact O-N 3.32Å; V656-T660 PolarHBondContact O-OG1 3.43Å; L657-T660 PolarHBondContact O-N 3.26Å; M658-T660 VanDerWaalsContact C-N 3.34Å; M658-T660 PolarHBondContact O-N 3.05Å; T660-Q663 PolarHBondContact O-N 3Å; T660-A664 PolarHBondContact O-N 3.23Å; T660-L676 HydrophobicContact CG2-CB 4.08Å; T660-L676 HydrophobicContact CG2-CD2 4.15Å; T660-A680 HydrophobicContact CG2-CB 4.12Å; T660-L725 HydrophobicContact CG2-CD2 4.25Å |
| 661 | K | 89.4 | Confident | 90 | Very high | 60 Ų | 60 | 46.4 Ų | 46.4 | 26% | 0.261 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.2 | -41.6 | 175.8 | -74.7 | -173.3 | 174.2 | -177.6 | 0 | 111.6 | L657 M658 Q663 A664 E665 A680 | L657-K661 HydrophobicContact CG-CD 4.49Å; L657-K661 WeakPolarHBondContact O-CG 3.42Å; L657-K661 PolarHBondContact O-N 3.26Å; M658-K661 PolarHBondContact O-N 3Å; K661-Q663 VanDerWaalsContact C-N 3.3Å; K661-Q663 PolarHBondContact O-N 3.4Å; K661-A664 WeakPolarHBondContact O-CB 3.48Å; K661-A664 PolarHBondContact O-N 3.28Å; K661-A664 VanDerWaalsContact O-N 3.08Å; K661-E665 WeakPolarHBondContact O-CG 3.09Å; K661-E665 PolarHBondContact O-N 2.98Å; K661-A680 HydrophobicContact CG-CB 3.99Å |
| 662 | G | 87.8 | Confident | 89.7 | Confident | 31 Ų | 31 | 43.7 Ų | 43.7 | 32% | 0.32 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.3 | -37.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | M658 A659 N666 | M658-G662 PolarHBondContact O-N 3.44Å; A659-G662 PolarHBondContact O-N 2.93Å; G662-N666 WeakPolarHBondContact O-CB 3.46Å; G662-N666 PolarHBondContact O-N 2.9Å |
| 663 | Q | 87.1 | Confident | 89.5 | Confident | 41 Ų | 41 | 44.5 Ų | 44.5 | 19% | 0.192 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.6 | -34.6 | 173.4 | -68.2 | -57 | -46.3 | 0 | 0 | 112.7 | P612 A659 T660 K661 N666 S667 L676 | P612-Q663 HydrophobicContact CB-CG 4.19Å; P612-Q663 HydrophobicContact CG-CG 4.23Å; P612-Q663 VanDerWaalsContact CG-NE2 3.31Å; A659-Q663 WeakPolarHBondContact O-CG 3.35Å; A659-Q663 PolarHBondContact O-N 2.78Å; T660-Q663 PolarHBondContact O-N 3Å; K661-Q663 VanDerWaalsContact C-N 3.3Å; K661-Q663 PolarHBondContact O-N 3.4Å; Q663-N666 PolarHBondContact O-N 3.42Å; Q663-S667 PolarHBondContact O-N 2.98Å; Q663-L676 HydrophobicContact CB-CD1 3.75Å |
| 664 | A | 89.7 | Confident | 89.3 | Confident | 3 Ų | 3 | 45.9 Ų | 45.9 | 3% | 0.025 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68 | -40 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | T660 K661 N666 S667 S673 L676 | T660-A664 PolarHBondContact O-N 3.23Å; K661-A664 WeakPolarHBondContact O-CB 3.48Å; K661-A664 PolarHBondContact O-N 3.28Å; K661-A664 VanDerWaalsContact O-N 3.08Å; A664-N666 VanDerWaalsContact C-N 3.35Å; A664-S667 PolarHBondContact O-N 3.22Å; A664-S673 PolarHBondContact O-OG 3.06Å; A664-L676 HydrophobicContact CB-CB 3.87Å; A664-L676 HydrophobicContact CB-CD1 4.2Å |
| 665 | E | 91.7 | Very high | 89.1 | Confident | 147 Ų | 147 | 49.5 Ų | 49.5 | 69% | 0.687 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -68.5 | -32.3 | 174.9 | -72.1 | 171.9 | -173.1 | 0 | 0 | 112.3 | K661 S667 I869 | K661-E665 WeakPolarHBondContact O-CG 3.09Å; K661-E665 PolarHBondContact O-N 2.98Å; E665-S667 PolarHBondContact O-N 2.64Å; E665-I869 VanDerWaalsContact O-CD1 3.23Å; E665-I869 WeakPolarHBondContact O-CD1 3.38Å |
| 666 | N | 90.2 | Very high | 89 | Confident | 13 Ų | 13 | 49.1 Ų | 49.1 | 7% | 0.07 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -10.1 | 175.6 | -172 | 55.1 | 0 | 0 | 0 | 113.6 | G662 Q663 A664 D868 I869 K870 | G662-N666 WeakPolarHBondContact O-CB 3.46Å; G662-N666 PolarHBondContact O-N 2.9Å; Q663-N666 PolarHBondContact O-N 3.42Å; A664-N666 VanDerWaalsContact C-N 3.35Å; N666-D868 PolarHBondContact ND2-OD1 3.03Å; N666-D868 PolarHBondContact ND2-OD2 3.23Å; N666-D868 WeakPolarHBondContact O-CA 3.36Å; N666-I869 WeakPolarHBondContact O-CG1 3.35Å; N666-I869 PolarHBondContact O-N 3.44Å; N666-K870 WeakPolarHBondContact OD1-CB 3.39Å; N666-K870 WeakPolarHBondContact OD1-CG 3.43Å; N666-K870 PolarHBondContact OD1-N 3.11Å |
| 667 | S | 89.8 | Confident | 89 | Confident | 14 Ų | 14 | 51.9 Ų | 51.9 | 10% | 0.098 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -115.9 | 125.5 | -174.9 | 172.6 | 0 | 0 | 0 | 0 | 112.8 | Q663 A664 E665 D669 F672 T867 | Q663-S667 PolarHBondContact O-N 2.98Å; A664-S667 PolarHBondContact O-N 3.22Å; E665-S667 PolarHBondContact O-N 2.64Å; S667-D669 PolarHBondContact OG-N 3.2Å; S667-F672 WeakPolarHBondContact OG-CD1 3.13Å; S667-T867 CarbonylContact C-O 3.43Å; S667-T867 WeakPolarHBondContact CA-O 3.09Å |
| 668 | E | 90.8 | Very high | 89 | Confident | 99 Ų | 99 | 55.7 Ų | 55.7 | 46% | 0.463 | 30% | 0.297 | S | S | . | . | trans | -88.8 | 0.5 | 171.3 | -64.9 | 178.3 | 170.3 | 0 | 0 | 113.5 | P670 T867 I869 R872 | E668-P670 VanDerWaalsContact O-CD 3.22Å; E668-P670 WeakPolarHBondContact O-CD 3.39Å; E668-T867 PolarHBondContact N-O 3.12Å; E668-I869 HydrophobicContact CG-CG1 4.28Å; E668-R872 VanDerWaalsContact CD-NH1 3.26Å; E668-R872 IonicContact OE1-CZ 3.61Å; E668-R872 IonicContact OE1-NH1 4Å; E668-R872 PolarHBondContact OE1-NH1 3.01Å; E668-R872 IonicContact OE1-NH2 3.41Å; E668-R872 PolarHBondContact OE1-NH2 3.41Å; E668-R872 IonicContact OE2-CZ 3.88Å; E668-R872 IonicContact OE2-NH1 3.9Å; E668-R872 PolarHBondContact OE2-NH1 3.32Å; E668-R872 IonicContact OE2-NH2 2.9Å | ||
| 669 | D | 88.6 | Confident | 88.9 | Confident | 52 Ų | 52 | 51.8 Ų | 51.8 | 28% | 0.278 | 28% | 0.28 | S | S | . | . | trans | -73.1 | 112.4 | 168.2 | 174.9 | -3.5 | 0 | 0 | 0 | 109.9 | S667 I671 F672 S673 T867 | S667-D669 PolarHBondContact OG-N 3.2Å; D669-I671 VanDerWaalsContact C-N 3.29Å; D669-I671 PolarHBondContact O-N 3.29Å; D669-I671 PolarHBondContact OD1-N 3.42Å; D669-F672 HydrophobicContact CB-CB 3.95Å; D669-F672 PolarHBondContact O-N 3.35Å; D669-F672 PolarHBondContact OD1-N 3.5Å; D669-F672 WeakPolarHBondContact OD2-CB 3.26Å; D669-S673 VanDerWaalsContact O-CB 3.28Å; D669-S673 WeakPolarHBondContact O-CB 3.43Å; D669-S673 PolarHBondContact O-N 3.17Å; D669-T867 HydrophobicContact CB-CG2 4.31Å | ||
| 670 | P | 88.4 | Confident | 89 | Confident | 107 Ų | 107 | 50.7 Ų | 50.7 | 70% | 0.695 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -64.3 | -31.5 | -176.5 | -20.7 | 33.8 | 0 | 0 | 0 | 113.5 | E668 G674 | E668-P670 VanDerWaalsContact O-CD 3.22Å; E668-P670 WeakPolarHBondContact O-CD 3.39Å; P670-G674 PolarHBondContact O-N 3.15Å |
| 671 | I | 87.9 | Confident | 89.2 | Confident | 107 Ų | 107 | 54.5 Ų | 54.5 | 55% | 0.549 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -73.3 | -45.9 | -178.7 | -60.3 | 175.7 | 0 | 0 | 0 | 109.3 | D669 R675 | D669-I671 VanDerWaalsContact C-N 3.29Å; D669-I671 PolarHBondContact O-N 3.29Å; D669-I671 PolarHBondContact OD1-N 3.42Å; I671-R675 VanDerWaalsContact O-CG 3.31Å; I671-R675 WeakPolarHBondContact O-CG 3.37Å; I671-R675 PolarHBondContact O-N 3.03Å; I671-R675 VanDerWaalsContact O-N 3.09Å |
| 672 | F | 85.9 | Confident | 89.3 | Confident | 25 Ų | 25 | 59.4 Ų | 59.4 | 11% | 0.11 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.2 | -50 | 178.2 | -179.4 | -107.6 | 0 | 0 | 0 | 111.5 | S667 D669 G674 R675 L676 S726 P728 | S667-F672 WeakPolarHBondContact OG-CD1 3.13Å; D669-F672 HydrophobicContact CB-CB 3.95Å; D669-F672 PolarHBondContact O-N 3.35Å; D669-F672 PolarHBondContact OD1-N 3.5Å; D669-F672 WeakPolarHBondContact OD2-CB 3.26Å; F672-G674 VanDerWaalsContact C-N 3.35Å; F672-G674 PolarHBondContact O-N 2.89Å; F672-R675 PolarHBondContact O-N 3.39Å; F672-L676 HydrophobicContact CD1-CD1 4.02Å; F672-L676 HydrophobicContact CE1-CD1 3.4Å; F672-L676 HydrophobicContact CE1-CG 4.22Å; F672-L676 HydrophobicContact CE2-CD1 4.17Å; F672-L676 HydrophobicContact CE2-CD2 4.36Å; F672-L676 HydrophobicContact CE2-CG 4.24Å; F672-L676 HydrophobicContact CZ-CD1 3.49Å; F672-L676 VanDerWaalsContact CZ-CD1 3.49Å; F672-L676 HydrophobicContact CZ-CD2 4.34Å; F672-L676 HydrophobicContact CZ-CG 4.07Å; F672-L676 WeakPolarHBondContact O-CG 3.17Å; F672-L676 PolarHBondContact O-N 2.9Å; F672-S726 WeakPolarHBondContact CE2-O 3.47Å; F672-P728 VanDerWaalsContact CE2-CD 3.44Å; F672-P728 HydrophobicContact CE2-CG 4.23Å |
| 673 | S | 88.3 | Confident | 89.4 | Confident | 22 Ų | 22 | 58 Ų | 58 | 15% | 0.154 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.7 | -43 | 178.2 | -172 | 0 | 0 | 0 | 0 | 111.5 | A664 D669 R675 L676 N677 | A664-S673 PolarHBondContact O-OG 3.06Å; D669-S673 VanDerWaalsContact O-CB 3.28Å; D669-S673 WeakPolarHBondContact O-CB 3.43Å; D669-S673 PolarHBondContact O-N 3.17Å; S673-R675 PolarHBondContact O-N 3.18Å; S673-L676 PolarHBondContact O-N 3.44Å; S673-N677 WeakPolarHBondContact O-CB 3.46Å; S673-N677 PolarHBondContact O-N 2.97Å; S673-N677 PolarHBondContact O-ND2 3.4Å; S673-N677 PolarHBondContact OG-ND2 3.37Å |
| 674 | G | 89.4 | Confident | 89.7 | Confident | 30 Ų | 30 | 60.4 Ų | 60.4 | 31% | 0.309 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.5 | -46.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | P670 F672 L676 N677 D678 | P670-G674 PolarHBondContact O-N 3.15Å; F672-G674 VanDerWaalsContact C-N 3.35Å; F672-G674 PolarHBondContact O-N 2.89Å; G674-L676 PolarHBondContact O-N 3.11Å; G674-N677 PolarHBondContact O-N 3.23Å; G674-D678 WeakPolarHBondContact O-CB 3.48Å; G674-D678 VanDerWaalsContact O-CG 3.3Å; G674-D678 PolarHBondContact O-N 2.81Å |
| 675 | R | 88.7 | Confident | 89.9 | Confident | 146 Ų | 146 | 64.5 Ų | 64.5 | 55% | 0.551 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -63 | -39 | 177 | -73.9 | 177.7 | -170.4 | 169.2 | 5.4 | 113.1 | I671 F672 S673 A679 | I671-R675 VanDerWaalsContact O-CG 3.31Å; I671-R675 WeakPolarHBondContact O-CG 3.37Å; I671-R675 PolarHBondContact O-N 3.03Å; I671-R675 VanDerWaalsContact O-N 3.09Å; F672-R675 PolarHBondContact O-N 3.39Å; S673-R675 PolarHBondContact O-N 3.18Å; R675-A679 WeakPolarHBondContact O-CB 3.26Å; R675-A679 PolarHBondContact O-N 3.5Å; R675-A679 VanDerWaalsContact O-N 3.12Å |
| 676 | L | 88.5 | Confident | 90 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.4 | -43.9 | 177.3 | -70.3 | -172.8 | 0 | 0 | 0 | 111.5 | T660 Q663 A664 F672 S673 G674 A679 A680 L725 I727 | T660-L676 HydrophobicContact CG2-CB 4.08Å; T660-L676 HydrophobicContact CG2-CD2 4.15Å; Q663-L676 HydrophobicContact CB-CD1 3.75Å; A664-L676 HydrophobicContact CB-CB 3.87Å; A664-L676 HydrophobicContact CB-CD1 4.2Å; F672-L676 HydrophobicContact CD1-CD1 4.02Å; F672-L676 HydrophobicContact CE1-CD1 3.4Å; F672-L676 HydrophobicContact CE1-CG 4.22Å; F672-L676 HydrophobicContact CE2-CD1 4.17Å; F672-L676 HydrophobicContact CE2-CD2 4.36Å; F672-L676 HydrophobicContact CE2-CG 4.24Å; F672-L676 HydrophobicContact CZ-CD1 3.49Å; F672-L676 VanDerWaalsContact CZ-CD1 3.49Å; F672-L676 HydrophobicContact CZ-CD2 4.34Å; F672-L676 HydrophobicContact CZ-CG 4.07Å; F672-L676 WeakPolarHBondContact O-CG 3.17Å; F672-L676 PolarHBondContact O-N 2.9Å; S673-L676 PolarHBondContact O-N 3.44Å; G674-L676 PolarHBondContact O-N 3.11Å; L676-A679 PolarHBondContact O-N 3.01Å; L676-A680 VanDerWaalsContact O-CB 3.3Å; L676-A680 WeakPolarHBondContact O-CB 3.41Å; L676-A680 PolarHBondContact O-N 2.86Å; L676-L725 WeakPolarHBondContact CD2-O 3.5Å; L676-I727 HydrophobicContact CD2-CG1 3.79Å |
| 677 | N | 90.9 | Very high | 90.1 | Very high | 59 Ų | 59 | 58.3 Ų | 58.3 | 32% | 0.316 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.4 | -45 | 176.3 | -74.1 | -42.4 | 0 | 0 | 0 | 111.6 | S673 G674 A679 A680 D681 | S673-N677 WeakPolarHBondContact O-CB 3.46Å; S673-N677 PolarHBondContact O-N 2.97Å; S673-N677 PolarHBondContact O-ND2 3.4Å; S673-N677 PolarHBondContact OG-ND2 3.37Å; G674-N677 PolarHBondContact O-N 3.23Å; N677-A679 VanDerWaalsContact C-N 3.28Å; N677-A679 PolarHBondContact O-N 3.44Å; N677-A680 WeakPolarHBondContact O-CB 3.28Å; N677-A680 PolarHBondContact O-N 3.39Å; N677-D681 WeakPolarHBondContact O-CB 3.45Å; N677-D681 VanDerWaalsContact O-CG 3.31Å; N677-D681 PolarHBondContact O-N 3Å |
| 678 | D | 90.7 | Very high | 90.3 | Very high | 92 Ų | 92 | 60.6 Ų | 60.6 | 49% | 0.492 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -57.3 | -42 | 174.7 | -76.8 | -14.2 | 0 | 0 | 0 | 112 | G674 R682 | G674-D678 WeakPolarHBondContact O-CB 3.48Å; G674-D678 VanDerWaalsContact O-CG 3.3Å; G674-D678 PolarHBondContact O-N 2.81Å; D678-R682 VanDerWaalsContact O-CG 3.26Å; D678-R682 WeakPolarHBondContact O-CG 3.45Å; D678-R682 PolarHBondContact O-N 2.71Å; D678-R682 VanDerWaalsContact O-N 3.13Å |
| 679 | A | 87.9 | Confident | 90.6 | Very high | 17 Ų | 17 | 58.8 Ų | 58.8 | 14% | 0.14 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -72.9 | -37.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R675 L676 N677 R682 L683 L725 | R675-A679 WeakPolarHBondContact O-CB 3.26Å; R675-A679 PolarHBondContact O-N 3.5Å; R675-A679 VanDerWaalsContact O-N 3.12Å; L676-A679 PolarHBondContact O-N 3.01Å; N677-A679 VanDerWaalsContact C-N 3.28Å; N677-A679 PolarHBondContact O-N 3.44Å; A679-R682 PolarHBondContact O-N 3.26Å; A679-L683 PolarHBondContact O-N 2.87Å; A679-L725 HydrophobicContact CB-CD2 3.61Å |
| 680 | A | 89.8 | Confident | 90.9 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.1 | -46.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L657 T660 K661 L676 N677 R682 L683 Q684 | L657-A680 HydrophobicContact CD1-CB 3.65Å; L657-A680 WeakPolarHBondContact CD1-O 3.39Å; T660-A680 HydrophobicContact CG2-CB 4.12Å; K661-A680 HydrophobicContact CG-CB 3.99Å; L676-A680 VanDerWaalsContact O-CB 3.3Å; L676-A680 WeakPolarHBondContact O-CB 3.41Å; L676-A680 PolarHBondContact O-N 2.86Å; N677-A680 WeakPolarHBondContact O-CB 3.28Å; N677-A680 PolarHBondContact O-N 3.39Å; A680-R682 VanDerWaalsContact C-N 3.35Å; A680-R682 PolarHBondContact O-N 3.27Å; A680-L683 PolarHBondContact O-N 2.92Å; A680-Q684 WeakPolarHBondContact O-CB 3.32Å; A680-Q684 PolarHBondContact O-N 3.41Å |
| 681 | D | 91.2 | Very high | 91.2 | Very high | 79 Ų | 79 | 53.2 Ų | 53.2 | 42% | 0.422 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.7 | -37.3 | -179.6 | -71.8 | -16.5 | 0 | 0 | 0 | 112.3 | N677 S685 | N677-D681 WeakPolarHBondContact O-CB 3.45Å; N677-D681 VanDerWaalsContact O-CG 3.31Å; N677-D681 PolarHBondContact O-N 3Å; D681-S685 WeakPolarHBondContact O-CB 3.45Å; D681-S685 PolarHBondContact O-N 3.34Å; D681-S685 PolarHBondContact O-OG 2.8Å |
| 682 | R | 91.5 | Very high | 91.5 | Very high | 164 Ų | 164 | 51.6 Ų | 51.6 | 62% | 0.619 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -63.4 | -44.2 | 171.9 | -71.5 | 173 | -167 | -161 | 4.9 | 111.8 | D678 A679 A680 S685 A686 L720 | D678-R682 VanDerWaalsContact O-CG 3.26Å; D678-R682 WeakPolarHBondContact O-CG 3.45Å; D678-R682 PolarHBondContact O-N 2.71Å; D678-R682 VanDerWaalsContact O-N 3.13Å; A679-R682 PolarHBondContact O-N 3.26Å; A680-R682 VanDerWaalsContact C-N 3.35Å; A680-R682 PolarHBondContact O-N 3.27Å; R682-S685 PolarHBondContact O-N 3.06Å; R682-A686 PolarHBondContact O-N 3.35Å; R682-A686 VanDerWaalsContact O-N 3.13Å; R682-L720 HydrophobicContact CB-CD1 4.16Å; R682-L720 HydrophobicContact CB-CD2 3.93Å |
| 683 | L | 91.3 | Very high | 92 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.2 | -47.2 | 177.8 | -179.5 | 59.1 | 0 | 0 | 0 | 110.8 | A653 V656 L657 A679 A680 S685 A686 I687 V717 L720 F721 | A653-L683 HydrophobicContact CB-CD1 4.31Å; V656-L683 HydrophobicContact CB-CD2 4.43Å; V656-L683 HydrophobicContact CG1-CD2 4.06Å; L657-L683 HydrophobicContact CB-CD2 4.36Å; A679-L683 PolarHBondContact O-N 2.87Å; A680-L683 PolarHBondContact O-N 2.92Å; L683-S685 VanDerWaalsContact C-N 3.28Å; L683-S685 PolarHBondContact O-N 3.31Å; L683-A686 PolarHBondContact O-N 3.19Å; L683-I687 HydrophobicContact CG-CD1 4.34Å; L683-I687 WeakPolarHBondContact O-CG1 3.42Å; L683-I687 PolarHBondContact O-N 3.49Å; L683-V717 HydrophobicContact CD1-CG1 4.15Å; L683-L720 HydrophobicContact CB-CD1 4.2Å; L683-L720 HydrophobicContact CD1-CD1 4.27Å; L683-F721 HydrophobicContact CD1-CE2 3.86Å; L683-F721 HydrophobicContact CD1-CZ 4.2Å; L683-F721 HydrophobicContact CD2-CZ 4.23Å |
| 684 | Q | 93.2 | Very high | 92.2 | Very high | 92 Ų | 92 | 51 Ų | 51 | 43% | 0.43 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -56.6 | -42.8 | 177 | -172.6 | 167.2 | 6.7 | 0 | 0 | 111.7 | L657 A680 A686 | L657-Q684 HydrophobicContact CD1-CB 3.95Å; L657-Q684 HydrophobicContact CD2-CB 4.05Å; L657-Q684 HydrophobicContact CD2-CG 4.12Å; A680-Q684 WeakPolarHBondContact O-CB 3.32Å; A680-Q684 PolarHBondContact O-N 3.41Å; Q684-A686 VanDerWaalsContact C-N 3.3Å; Q684-A686 PolarHBondContact O-N 2.81Å |
| 685 | S | 93.5 | Very high | 92.4 | Very high | 89 Ų | 89 | 55.8 Ų | 55.8 | 62% | 0.622 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -69.2 | -24.3 | 178.4 | -58.7 | 0 | 0 | 0 | 0 | 113.7 | D681 R682 L683 P689 | D681-S685 WeakPolarHBondContact O-CB 3.45Å; D681-S685 PolarHBondContact O-N 3.34Å; D681-S685 PolarHBondContact O-OG 2.8Å; R682-S685 PolarHBondContact O-N 3.06Å; L683-S685 VanDerWaalsContact C-N 3.28Å; L683-S685 PolarHBondContact O-N 3.31Å; S685-P689 WeakPolarHBondContact O-CD 3.25Å; S685-P689 WeakPolarHBondContact O-CG 3.45Å |
| 686 | A | 93.3 | Very high | 92.6 | Very high | 16 Ų | 16 | 53 Ų | 53 | 13% | 0.132 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -85.7 | -25.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | R682 L683 Q684 P689 M690 V717 L720 | R682-A686 PolarHBondContact O-N 3.35Å; R682-A686 VanDerWaalsContact O-N 3.13Å; L683-A686 PolarHBondContact O-N 3.19Å; Q684-A686 VanDerWaalsContact C-N 3.3Å; Q684-A686 PolarHBondContact O-N 2.81Å; A686-P689 WeakPolarHBondContact O-CD 3.39Å; A686-M690 PolarHBondContact O-N 3.09Å; A686-V717 HydrophobicContact CB-CG2 3.8Å; A686-L720 HydrophobicContact CB-CD1 4.04Å |
| 687 | I | 93.3 | Very high | 92.8 | Very high | 13 Ų | 13 | 53 Ų | 53 | 7% | 0.067 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.7 | -48.9 | -175.4 | -67.5 | 163.7 | 0 | 0 | 0 | 112.1 | A650 A653 L683 M690 V691 | A650-I687 HydrophobicContact CB-CG2 4.11Å; A653-I687 HydrophobicContact CB-CD1 3.67Å; A653-I687 HydrophobicContact CB-CG1 3.79Å; L683-I687 HydrophobicContact CG-CD1 4.34Å; L683-I687 WeakPolarHBondContact O-CG1 3.42Å; L683-I687 PolarHBondContact O-N 3.49Å; I687-M690 WeakPolarHBondContact O-CB 3.24Å; I687-M690 PolarHBondContact O-N 3.43Å; I687-V691 HydrophobicContact CG2-CG2 4.4Å; I687-V691 WeakPolarHBondContact O-CG2 3.48Å; I687-V691 PolarHBondContact O-N 2.98Å; I687-V691 VanDerWaalsContact O-N 3.09Å |
| 688 | A | 94.3 | Very high | 92.8 | Very high | 62 Ų | 62 | 51.4 Ų | 51.4 | 51% | 0.512 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.2 | -42.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | V691 T692 | A688-V691 PolarHBondContact O-N 3.16Å; A688-T692 WeakPolarHBondContact O-CB 3.46Å; A688-T692 PolarHBondContact O-N 2.82Å; A688-T692 PolarHBondContact O-OG1 3.15Å |
| 689 | P | 95.6 | Very high | 92.9 | Very high | 62 Ų | 62 | 53.5 Ų | 53.5 | 40% | 0.403 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.2 | -46.4 | 170.6 | -27.4 | 35.8 | 0 | 0 | 0 | 113.1 | S685 A686 V691 T692 D693 | S685-P689 WeakPolarHBondContact O-CD 3.25Å; S685-P689 WeakPolarHBondContact O-CG 3.45Å; A686-P689 WeakPolarHBondContact O-CD 3.39Å; P689-V691 PolarHBondContact O-N 2.92Å; P689-T692 WeakPolarHBondContact O-CB 3.29Å; P689-T692 PolarHBondContact O-N 3.34Å; P689-D693 PolarHBondContact O-N 3.33Å |
| 690 | M | 95.5 | Very high | 93 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.9 | -45.5 | 178.8 | 179.4 | -155.5 | 67.9 | 0 | 0 | 112.2 | T646 I649 A650 A686 I687 T692 D693 A694 S713 N714 V717 | T646-M690 HydrophobicContact CG2-CE 3.91Å; T646-M690 HydrophobicContact CG2-CG 4.46Å; T646-M690 HydrophobicContact CG2-SD 4.45Å; I649-M690 HydrophobicContact CB-CE 4.41Å; I649-M690 HydrophobicContact CB-SD 4.48Å; I649-M690 HydrophobicContact CG2-CE 4.03Å; I649-M690 HydrophobicContact CG2-SD 3.69Å; A650-M690 HydrophobicContact CB-CE 3.92Å; A686-M690 PolarHBondContact O-N 3.09Å; I687-M690 WeakPolarHBondContact O-CB 3.24Å; I687-M690 PolarHBondContact O-N 3.43Å; M690-T692 VanDerWaalsContact C-N 3.31Å; M690-T692 PolarHBondContact O-N 3.2Å; M690-D693 PolarHBondContact O-N 3.41Å; M690-A694 WeakPolarHBondContact O-CB 3.29Å; M690-A694 PolarHBondContact O-N 3.43Å; M690-S713 WeakPolarHBondContact CA-OG 3.37Å; M690-N714 HydrophobicContact CG-CB 4.25Å; M690-V717 HydrophobicContact CB-CG2 4.25Å; M690-V717 HydrophobicContact SD-CB 4.47Å; M690-V717 HydrophobicContact SD-CG2 4.03Å |
| 691 | V | 94.9 | Very high | 92.9 | Very high | 41 Ų | 41 | 57.6 Ų | 57.6 | 25% | 0.248 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.7 | -36.3 | 176.9 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | A650 I687 A688 P689 A694 K695 | A650-V691 HydrophobicContact CB-CG2 3.78Å; I687-V691 HydrophobicContact CG2-CG2 4.4Å; I687-V691 WeakPolarHBondContact O-CG2 3.48Å; I687-V691 PolarHBondContact O-N 2.98Å; I687-V691 VanDerWaalsContact O-N 3.09Å; A688-V691 PolarHBondContact O-N 3.16Å; P689-V691 PolarHBondContact O-N 2.92Å; V691-A694 PolarHBondContact O-N 2.96Å; V691-K695 WeakPolarHBondContact O-CG 3.47Å; V691-K695 PolarHBondContact O-N 3.39Å |
| 692 | T | 94.9 | Very high | 92.7 | Very high | 73 Ų | 73 | 63.5 Ų | 63.5 | 45% | 0.448 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -68.3 | -44.2 | 178.3 | -57.6 | 0 | 0 | 0 | 0 | 111.6 | A688 P689 M690 A694 K695 Q696 | A688-T692 WeakPolarHBondContact O-CB 3.46Å; A688-T692 PolarHBondContact O-N 2.82Å; A688-T692 PolarHBondContact O-OG1 3.15Å; P689-T692 WeakPolarHBondContact O-CB 3.29Å; P689-T692 PolarHBondContact O-N 3.34Å; M690-T692 VanDerWaalsContact C-N 3.31Å; M690-T692 PolarHBondContact O-N 3.2Å; T692-A694 VanDerWaalsContact C-N 3.3Å; T692-A694 PolarHBondContact O-N 3.19Å; T692-K695 WeakPolarHBondContact O-CB 3.28Å; T692-K695 PolarHBondContact O-N 2.79Å; T692-Q696 PolarHBondContact O-N 2.98Å |
| 693 | D | 94.6 | Very high | 92.7 | Very high | 32 Ų | 32 | 58.2 Ų | 58.2 | 17% | 0.171 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64 | -37.6 | 176.2 | -68.8 | -33 | 0 | 0 | 0 | 111.3 | P689 M690 K695 Q696 V697 W710 S713 | P689-D693 PolarHBondContact O-N 3.33Å; M690-D693 PolarHBondContact O-N 3.41Å; D693-K695 VanDerWaalsContact C-N 3.31Å; D693-K695 PolarHBondContact O-N 3.38Å; D693-Q696 WeakPolarHBondContact O-CA 3.45Å; D693-Q696 WeakPolarHBondContact O-CB 3.48Å; D693-Q696 PolarHBondContact O-N 3.04Å; D693-V697 PolarHBondContact O-N 3.31Å; D693-W710 HydrophobicContact CB-CB 3.94Å; D693-S713 WeakPolarHBondContact OD2-CB 3.32Å; D693-S713 PolarHBondContact OD2-OG 3.07Å |
| 694 | A | 93.7 | Very high | 92.7 | Very high | 4 Ų | 4 | 63 Ų | 63 | 3% | 0.033 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.2 | -37.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | M642 T646 M690 V691 T692 Q696 V697 A698 | M642-A694 HydrophobicContact CE-CB 3.61Å; M642-A694 HydrophobicContact SD-CB 4.02Å; T646-A694 HydrophobicContact CG2-CB 3.61Å; M690-A694 WeakPolarHBondContact O-CB 3.29Å; M690-A694 PolarHBondContact O-N 3.43Å; V691-A694 PolarHBondContact O-N 2.96Å; T692-A694 VanDerWaalsContact C-N 3.3Å; T692-A694 PolarHBondContact O-N 3.19Å; A694-Q696 VanDerWaalsContact C-N 3.27Å; A694-Q696 PolarHBondContact O-N 3.45Å; A694-V697 PolarHBondContact O-N 2.86Å; A694-A698 WeakPolarHBondContact O-CB 3.46Å; A694-A698 PolarHBondContact O-N 3.48Å |
| 695 | K | 92.9 | Very high | 92.7 | Very high | 129 Ų | 129 | 61.3 Ų | 61.3 | 56% | 0.561 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -60.9 | -37.9 | 172.3 | -69.3 | 173 | -178.6 | 179.7 | 0 | 111.4 | V691 T692 D693 A698 L699 | V691-K695 WeakPolarHBondContact O-CG 3.47Å; V691-K695 PolarHBondContact O-N 3.39Å; T692-K695 WeakPolarHBondContact O-CB 3.28Å; T692-K695 PolarHBondContact O-N 2.79Å; D693-K695 VanDerWaalsContact C-N 3.31Å; D693-K695 PolarHBondContact O-N 3.38Å; K695-A698 PolarHBondContact O-N 3.19Å; K695-L699 WeakPolarHBondContact O-CG 3.24Å; K695-L699 PolarHBondContact O-N 3.23Å |
| 696 | Q | 93.4 | Very high | 92.7 | Very high | 87 Ų | 87 | 57 Ų | 57 | 41% | 0.407 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.5 | -40.6 | 176.1 | -60.3 | -57.9 | -47 | 0 | 0 | 112 | T692 D693 A694 A698 L699 N700 A706 | T692-Q696 PolarHBondContact O-N 2.98Å; D693-Q696 WeakPolarHBondContact O-CA 3.45Å; D693-Q696 WeakPolarHBondContact O-CB 3.48Å; D693-Q696 PolarHBondContact O-N 3.04Å; A694-Q696 VanDerWaalsContact C-N 3.27Å; A694-Q696 PolarHBondContact O-N 3.45Å; Q696-A698 VanDerWaalsContact C-N 3.35Å; Q696-L699 PolarHBondContact O-N 3.24Å; Q696-N700 PolarHBondContact O-N 3.48Å; Q696-A706 HydrophobicContact CB-CB 4.13Å |
| 697 | V | 92.9 | Very high | 92.6 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.1 | -42 | 173.4 | 178.3 | 0 | 0 | 0 | 0 | 111 | I634 M642 D693 A694 L699 N700 P701 A706 V707 W710 | I634-V697 HydrophobicContact CD1-CG1 4.09Å; I634-V697 HydrophobicContact CG1-CG1 3.9Å; M642-V697 HydrophobicContact CE-CB 3.91Å; M642-V697 HydrophobicContact CE-CG1 4Å; M642-V697 HydrophobicContact CE-CG2 4.31Å; M642-V697 HydrophobicContact CG-CG1 4.37Å; M642-V697 HydrophobicContact SD-CB 4.31Å; M642-V697 HydrophobicContact SD-CG1 4.25Å; D693-V697 PolarHBondContact O-N 3.31Å; A694-V697 PolarHBondContact O-N 2.86Å; V697-L699 VanDerWaalsContact C-N 3.3Å; V697-L699 PolarHBondContact O-N 3.44Å; V697-N700 CarbonylContact O-C 3.56Å; V697-N700 PolarHBondContact O-N 3.45Å; V697-P701 WeakPolarHBondContact O-CA 3.26Å; V697-P701 VanDerWaalsContact O-CD 3.29Å; V697-P701 WeakPolarHBondContact O-CD 3.22Å; V697-P701 WeakPolarHBondContact O-CG 3.46Å; V697-A706 VanDerWaalsContact CG2-C 3.49Å; V697-A706 HydrophobicContact CG2-CB 4.02Å; V697-A706 WeakPolarHBondContact CG2-O 3.31Å; V697-V707 HydrophobicContact CG1-CG2 4Å; V697-V707 HydrophobicContact CG2-CG2 4.24Å; V697-W710 HydrophobicContact CG2-CB 3.76Å; V697-W710 HydrophobicContact CG2-CG 4.36Å |
| 698 | A | 90.8 | Very high | 92.7 | Very high | 26 Ų | 26 | 59.1 Ų | 59.1 | 22% | 0.215 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.9 | -32.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | P639 V643 A694 K695 Q696 | P639-A698 HydrophobicContact CB-CB 4.26Å; P639-A698 WeakPolarHBondContact CB-O 3.18Å; V643-A698 HydrophobicContact CG2-CB 3.47Å; V643-A698 VanDerWaalsContact CG2-CB 3.47Å; A694-A698 WeakPolarHBondContact O-CB 3.46Å; A694-A698 PolarHBondContact O-N 3.48Å; K695-A698 PolarHBondContact O-N 3.19Å; Q696-A698 VanDerWaalsContact C-N 3.35Å |
| 699 | L | 92.6 | Very high | 92.7 | Very high | 136 Ų | 136 | 61 Ų | 61 | 71% | 0.712 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -66.8 | -37.8 | 174.7 | -72.2 | 171.6 | 0 | 0 | 0 | 112.3 | K695 Q696 V697 | K695-L699 WeakPolarHBondContact O-CG 3.24Å; K695-L699 PolarHBondContact O-N 3.23Å; Q696-L699 PolarHBondContact O-N 3.24Å; V697-L699 VanDerWaalsContact C-N 3.3Å; V697-L699 PolarHBondContact O-N 3.44Å |
| 700 | N | 89.9 | Confident | 92.7 | Very high | 82 Ų | 82 | 58 Ų | 58 | 44% | 0.439 | 29% | 0.288 | S | S | . | . | trans | -149.4 | 91.1 | 175.2 | -175.5 | 6.2 | 0 | 0 | 0 | 111.1 | Q696 V697 R702 D703 | Q696-N700 PolarHBondContact O-N 3.48Å; V697-N700 CarbonylContact O-C 3.56Å; V697-N700 PolarHBondContact O-N 3.45Å; N700-R702 PolarHBondContact O-N 3Å; N700-R702 PolarHBondContact OD1-N 3.49Å; N700-D703 HydrophobicContact CB-CB 4.29Å; N700-D703 WeakPolarHBondContact O-CB 3.33Å; N700-D703 PolarHBondContact O-N 3.39Å | ||
| 701 | P | 87 | Confident | 92.6 | Very high | 20 Ų | 20 | 62.4 Ų | 62.4 | 13% | 0.13 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -14.4 | -177.5 | -23.6 | 33.1 | 0 | 0 | 0 | 114 | N637 P639 V697 | N637-P701 WeakPolarHBondContact OD1-CB 3.25Å; P639-P701 HydrophobicContact CB-CG 4.02Å; P639-P701 HydrophobicContact CG-CG 4.45Å; V697-P701 WeakPolarHBondContact O-CA 3.26Å; V697-P701 VanDerWaalsContact O-CD 3.29Å; V697-P701 WeakPolarHBondContact O-CD 3.22Å; V697-P701 WeakPolarHBondContact O-CG 3.46Å |
| 702 | R | 87.5 | Confident | 92.6 | Very high | 203 Ų | 203 | 65.6 Ų | 65.6 | 77% | 0.766 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -8.8 | 177 | -60.4 | -177.5 | 177.2 | 177.1 | -1.7 | 113.3 | N700 Q704 | N700-R702 PolarHBondContact O-N 3Å; N700-R702 PolarHBondContact OD1-N 3.49Å; R702-Q704 PolarHBondContact O-N 3.34Å; R702-Q704 VanDerWaalsContact O-N 3.08Å |
| 703 | D | 91.7 | Very high | 92.6 | Very high | 53 Ų | 53 | 62.4 Ų | 62.4 | 28% | 0.283 | 30% | 0.301 | S | S | . | . | trans | -75 | 96.5 | 173.2 | 178.4 | 10.6 | 0 | 0 | 0 | 110 | N700 S705 A706 V707 R709 | N700-D703 HydrophobicContact CB-CB 4.29Å; N700-D703 WeakPolarHBondContact O-CB 3.33Å; N700-D703 PolarHBondContact O-N 3.39Å; D703-S705 VanDerWaalsContact CG-OG 3.24Å; D703-S705 PolarHBondContact O-N 2.96Å; D703-S705 VanDerWaalsContact O-N 3.13Å; D703-S705 WeakPolarHBondContact OD1-CA 3.32Å; D703-S705 VanDerWaalsContact OD1-CB 3.25Å; D703-S705 WeakPolarHBondContact OD1-CB 3.33Å; D703-S705 PolarHBondContact OD1-N 3.17Å; D703-S705 PolarHBondContact OD1-OG 3.03Å; D703-S705 PolarHBondContact OD2-OG 3.28Å; D703-S705 VanDerWaalsContact OD2-OG 3.06Å; D703-A706 HydrophobicContact CB-CB 4.02Å; D703-A706 PolarHBondContact O-N 3.24Å; D703-A706 VanDerWaalsContact O-N 3.07Å; D703-A706 PolarHBondContact OD1-N 2.94Å; D703-A706 WeakPolarHBondContact OD2-CB 3.23Å; D703-A706 PolarHBondContact OD2-N 2.66Å; D703-V707 WeakPolarHBondContact O-CG2 3.35Å; D703-V707 PolarHBondContact O-N 3.34Å; D703-R709 IonicContact OD2-NH2 3.6Å | ||
| 704 | Q | 91.9 | Very high | 92.5 | Very high | 103 Ų | 103 | 61.8 Ų | 61.8 | 48% | 0.481 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.3 | -26.2 | 178.7 | -167.1 | 57.2 | 53.4 | 0 | 0 | 112.6 | R702 N708 R711 | R702-Q704 PolarHBondContact O-N 3.34Å; R702-Q704 VanDerWaalsContact O-N 3.08Å; Q704-N708 PolarHBondContact NE2-OD1 3.08Å; Q704-N708 WeakPolarHBondContact O-CB 3.45Å; Q704-N708 PolarHBondContact O-N 3.47Å; Q704-N708 PolarHBondContact O-ND2 3.06Å; Q704-N708 PolarHBondContact O-OD1 2.95Å; Q704-R711 VanDerWaalsContact NE2-NH1 3.14Å |
| 705 | S | 93.4 | Very high | 92.4 | Very high | 55 Ų | 55 | 62.9 Ų | 62.9 | 39% | 0.385 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -70.1 | -42.6 | 176.5 | 83.5 | 0 | 0 | 0 | 0 | 111.3 | D703 N708 R709 | D703-S705 VanDerWaalsContact CG-OG 3.24Å; D703-S705 PolarHBondContact O-N 2.96Å; D703-S705 VanDerWaalsContact O-N 3.13Å; D703-S705 WeakPolarHBondContact OD1-CA 3.32Å; D703-S705 VanDerWaalsContact OD1-CB 3.25Å; D703-S705 WeakPolarHBondContact OD1-CB 3.33Å; D703-S705 PolarHBondContact OD1-N 3.17Å; D703-S705 PolarHBondContact OD1-OG 3.03Å; D703-S705 PolarHBondContact OD2-OG 3.28Å; D703-S705 VanDerWaalsContact OD2-OG 3.06Å; S705-N708 PolarHBondContact O-N 3.5Å; S705-R709 WeakPolarHBondContact O-CG 3.31Å; S705-R709 PolarHBondContact O-N 2.88Å; S705-R709 PolarHBondContact O-NH1 3.43Å; S705-R709 PolarHBondContact OG-NH1 3.28Å |
| 706 | A | 92.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.1 | -43.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q696 V697 D703 N708 R709 W710 | Q696-A706 HydrophobicContact CB-CB 4.13Å; V697-A706 VanDerWaalsContact CG2-C 3.49Å; V697-A706 HydrophobicContact CG2-CB 4.02Å; V697-A706 WeakPolarHBondContact CG2-O 3.31Å; D703-A706 HydrophobicContact CB-CB 4.02Å; D703-A706 PolarHBondContact O-N 3.24Å; D703-A706 VanDerWaalsContact O-N 3.07Å; D703-A706 PolarHBondContact OD1-N 2.94Å; D703-A706 WeakPolarHBondContact OD2-CB 3.23Å; D703-A706 PolarHBondContact OD2-N 2.66Å; A706-N708 VanDerWaalsContact C-N 3.34Å; A706-N708 PolarHBondContact O-N 3.14Å; A706-R709 VanDerWaalsContact CA-NH2 3.32Å; A706-R709 PolarHBondContact O-N 3.49Å; A706-W710 PolarHBondContact O-N 3.41Å |
| 707 | V | 92.5 | Very high | 92.1 | Very high | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.6 | -45.2 | 176.6 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | I634 V697 D703 W710 R711 | I634-V707 HydrophobicContact CD1-CG1 4.3Å; I634-V707 HydrophobicContact CG2-CG1 4.14Å; I634-V707 HydrophobicContact CG2-CG2 3.78Å; V697-V707 HydrophobicContact CG1-CG2 4Å; V697-V707 HydrophobicContact CG2-CG2 4.24Å; D703-V707 WeakPolarHBondContact O-CG2 3.35Å; D703-V707 PolarHBondContact O-N 3.34Å; V707-W710 PolarHBondContact O-N 3.43Å; V707-R711 VanDerWaalsContact CG1-CZ 3.44Å; V707-R711 WeakPolarHBondContact O-CG 3.43Å; V707-R711 PolarHBondContact O-N 2.93Å |
| 708 | N | 94.4 | Very high | 91.8 | Very high | 71 Ų | 71 | 60.6 Ų | 60.6 | 38% | 0.38 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66 | -40.8 | 178.3 | -69.9 | -12.3 | 0 | 0 | 0 | 112.3 | Q704 S705 A706 W710 R711 D712 | Q704-N708 PolarHBondContact NE2-OD1 3.08Å; Q704-N708 WeakPolarHBondContact O-CB 3.45Å; Q704-N708 PolarHBondContact O-N 3.47Å; Q704-N708 PolarHBondContact O-ND2 3.06Å; Q704-N708 PolarHBondContact O-OD1 2.95Å; S705-N708 PolarHBondContact O-N 3.5Å; A706-N708 VanDerWaalsContact C-N 3.34Å; A706-N708 PolarHBondContact O-N 3.14Å; N708-W710 VanDerWaalsContact C-N 3.34Å; N708-W710 PolarHBondContact O-N 3.25Å; N708-R711 PolarHBondContact O-N 3.48Å; N708-R711 PolarHBondContact OD1-NH1 3.36Å; N708-D712 PolarHBondContact O-N 2.72Å |
| 709 | R | 94.7 | Very high | 91.4 | Very high | 101 Ų | 101 | 64.4 Ų | 64.4 | 38% | 0.381 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.5 | -44.5 | 174.1 | -73.4 | -171.6 | -60.4 | -85 | 3.2 | 111.9 | D703 S705 A706 D712 S713 | D703-R709 IonicContact OD2-NH2 3.6Å; S705-R709 WeakPolarHBondContact O-CG 3.31Å; S705-R709 PolarHBondContact O-N 2.88Å; S705-R709 PolarHBondContact O-NH1 3.43Å; S705-R709 PolarHBondContact OG-NH1 3.28Å; A706-R709 VanDerWaalsContact CA-NH2 3.32Å; A706-R709 PolarHBondContact O-N 3.49Å; R709-D712 PolarHBondContact O-N 3.02Å; R709-S713 PolarHBondContact O-N 3.2Å; R709-S713 PolarHBondContact O-OG 2.98Å; R709-S713 VanDerWaalsContact O-OG 3.08Å |
| 710 | W | 94.5 | Very high | 90.7 | Very high | 1 Ų | 1 | 60 Ų | 60 | 0% | 0.004 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.7 | -41.1 | 175.9 | 176.7 | 78 | 0 | 0 | 0 | 112.3 | C630 I634 M642 D693 V697 A706 V707 N708 D712 S713 N714 | C630-W710 HydrophobicContact CB-CH2 3.26Å; C630-W710 HydrophobicContact CB-CZ2 3.63Å; C630-W710 HydrophobicContact CB-CZ3 4.1Å; I634-W710 HydrophobicContact CD1-CE3 3.95Å; I634-W710 HydrophobicContact CD1-CZ3 3.99Å; M642-W710 HydrophobicContact CE-CD2 3.65Å; M642-W710 HydrophobicContact CE-CE3 4.35Å; M642-W710 HydrophobicContact CE-CG 3.77Å; M642-W710 HydrophobicContact CE-CZ2 4.18Å; D693-W710 HydrophobicContact CB-CB 3.94Å; V697-W710 HydrophobicContact CG2-CB 3.76Å; V697-W710 HydrophobicContact CG2-CG 4.36Å; A706-W710 PolarHBondContact O-N 3.41Å; V707-W710 PolarHBondContact O-N 3.43Å; N708-W710 VanDerWaalsContact C-N 3.34Å; N708-W710 PolarHBondContact O-N 3.25Å; W710-D712 VanDerWaalsContact C-N 3.3Å; W710-D712 PolarHBondContact O-N 2.85Å; W710-S713 WeakPolarHBondContact CA-OG 3.47Å; W710-S713 PolarHBondContact O-N 3.01Å; W710-S713 PolarHBondContact O-OG 3.44Å; W710-N714 HydrophobicContact CH2-CB 4.46Å; W710-N714 HydrophobicContact CZ2-CB 4.14Å; W710-N714 WeakPolarHBondContact O-CB 3.4Å; W710-N714 PolarHBondContact O-N 3.47Å |
| 711 | R | 94.3 | Very high | 89.8 | Confident | 91 Ų | 91 | 56.2 Ų | 56.2 | 34% | 0.343 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.1 | -41.4 | 174.3 | -75.2 | 174.3 | -179.9 | 152.6 | -1.1 | 111.8 | E631 Q704 V707 N708 G715 | E631-R711 WeakPolarHBondContact OE1-CG 3.31Å; E631-R711 IonicContact OE1-CZ 2.84Å; E631-R711 IonicContact OE1-NE 3.27Å; E631-R711 PolarHBondContact OE1-NE 3.13Å; E631-R711 IonicContact OE1-NH2 3.42Å; E631-R711 IonicContact OE2-CZ 3.39Å; E631-R711 IonicContact OE2-NE 2.76Å; E631-R711 PolarHBondContact OE2-NE 3.38Å; E631-R711 IonicContact OE2-NH2 3.7Å; E631-R711 PolarHBondContact OE2-NH2 2.86Å; Q704-R711 VanDerWaalsContact NE2-NH1 3.14Å; V707-R711 VanDerWaalsContact CG1-CZ 3.44Å; V707-R711 WeakPolarHBondContact O-CG 3.43Å; V707-R711 PolarHBondContact O-N 2.93Å; N708-R711 PolarHBondContact O-N 3.48Å; N708-R711 PolarHBondContact OD1-NH1 3.36Å; R711-G715 WeakPolarHBondContact O-CA 3.46Å; R711-G715 PolarHBondContact O-N 3.01Å |
| 712 | D | 94.6 | Very high | 88.3 | Confident | 108 Ų | 108 | 62.8 Ų | 62.8 | 58% | 0.578 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -66.5 | -44.4 | 177.5 | -69.3 | -20.3 | 0 | 0 | 0 | 111.8 | N708 R709 W710 G715 K716 | N708-D712 PolarHBondContact O-N 2.72Å; R709-D712 PolarHBondContact O-N 3.02Å; W710-D712 VanDerWaalsContact C-N 3.3Å; W710-D712 PolarHBondContact O-N 2.85Å; D712-G715 PolarHBondContact O-N 2.92Å; D712-K716 WeakPolarHBondContact O-CG 3.43Å; D712-K716 PolarHBondContact O-N 3.22Å |
| 713 | S | 94.5 | Very high | 86.5 | Confident | 6 Ų | 6 | 62.5 Ų | 62.5 | 4% | 0.042 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -71.1 | -39.9 | 178.9 | 52.7 | 0 | 0 | 0 | 0 | 112.8 | M690 D693 R709 W710 K716 V717 | M690-S713 WeakPolarHBondContact CA-OG 3.37Å; D693-S713 WeakPolarHBondContact OD2-CB 3.32Å; D693-S713 PolarHBondContact OD2-OG 3.07Å; R709-S713 PolarHBondContact O-N 3.2Å; R709-S713 PolarHBondContact O-OG 2.98Å; R709-S713 VanDerWaalsContact O-OG 3.08Å; W710-S713 WeakPolarHBondContact CA-OG 3.47Å; W710-S713 PolarHBondContact O-N 3.01Å; W710-S713 PolarHBondContact O-OG 3.44Å; S713-K716 WeakPolarHBondContact O-CB 3.48Å; S713-K716 PolarHBondContact O-N 3.44Å; S713-V717 PolarHBondContact O-N 3.33Å; S713-V717 VanDerWaalsContact O-N 3.14Å |
| 714 | N | 92.9 | Very high | 84.8 | Confident | 19 Ų | 19 | 68.9 Ų | 68.9 | 10% | 0.102 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63 | -42.4 | 170.9 | -173.9 | 54.8 | 0 | 0 | 0 | 111.2 | M690 W710 K716 V717 M718 | M690-N714 HydrophobicContact CG-CB 4.25Å; W710-N714 HydrophobicContact CH2-CB 4.46Å; W710-N714 HydrophobicContact CZ2-CB 4.14Å; W710-N714 WeakPolarHBondContact O-CB 3.4Å; W710-N714 PolarHBondContact O-N 3.47Å; N714-K716 VanDerWaalsContact C-N 3.32Å; N714-K716 PolarHBondContact O-N 3.36Å; N714-V717 WeakPolarHBondContact O-CB 3.4Å; N714-V717 PolarHBondContact O-N 3.46Å; N714-V717 VanDerWaalsContact O-N 3.15Å; N714-M718 WeakPolarHBondContact O-CG 3.22Å; N714-M718 PolarHBondContact O-N 3.45Å |
| 715 | G | 91.6 | Very high | 82.9 | Confident | 27 Ų | 27 | 64.2 Ų | 64.2 | 28% | 0.278 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.6 | -40.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R711 D712 M718 L719 | R711-G715 WeakPolarHBondContact O-CA 3.46Å; R711-G715 PolarHBondContact O-N 3.01Å; D712-G715 PolarHBondContact O-N 2.92Å; G715-M718 PolarHBondContact O-N 2.98Å; G715-L719 WeakPolarHBondContact O-CB 3.38Å; G715-L719 VanDerWaalsContact O-CG 3.26Å; G715-L719 WeakPolarHBondContact O-CG 3.5Å; G715-L719 PolarHBondContact O-N 3.21Å |
| 716 | K | 90.3 | Very high | 81 | Confident | 137 Ų | 137 | 64.1 Ų | 64.1 | 60% | 0.596 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -62.3 | -43.9 | 173.2 | -73.7 | 170 | -173.8 | 173.3 | 0 | 112.4 | D712 S713 N714 L719 L720 | D712-K716 WeakPolarHBondContact O-CG 3.43Å; D712-K716 PolarHBondContact O-N 3.22Å; S713-K716 WeakPolarHBondContact O-CB 3.48Å; S713-K716 PolarHBondContact O-N 3.44Å; N714-K716 VanDerWaalsContact C-N 3.32Å; N714-K716 PolarHBondContact O-N 3.36Å; K716-L719 PolarHBondContact O-N 2.78Å; K716-L720 WeakPolarHBondContact O-CG 3.29Å; K716-L720 PolarHBondContact O-N 2.81Å |
| 717 | V | 89.9 | Confident | 79.2 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.6 | -50.1 | 175 | 172.6 | 0 | 0 | 0 | 0 | 109.5 | M623 A653 L683 A686 M690 S713 N714 L719 L720 F721 | M623-V717 HydrophobicContact CE-CG1 3.5Å; A653-V717 HydrophobicContact CB-CG1 4.44Å; L683-V717 HydrophobicContact CD1-CG1 4.15Å; A686-V717 HydrophobicContact CB-CG2 3.8Å; M690-V717 HydrophobicContact CB-CG2 4.25Å; M690-V717 HydrophobicContact SD-CB 4.47Å; M690-V717 HydrophobicContact SD-CG2 4.03Å; S713-V717 PolarHBondContact O-N 3.33Å; S713-V717 VanDerWaalsContact O-N 3.14Å; N714-V717 WeakPolarHBondContact O-CB 3.4Å; N714-V717 PolarHBondContact O-N 3.46Å; N714-V717 VanDerWaalsContact O-N 3.15Å; V717-L719 PolarHBondContact O-N 3.49Å; V717-L720 PolarHBondContact O-N 3.26Å; V717-F721 HydrophobicContact CG1-CE2 3.99Å; V717-F721 WeakPolarHBondContact O-CD2 3.48Å; V717-F721 WeakPolarHBondContact O-CE2 3.34Å |
| 718 | M | 86.6 | Confident | 77.2 | Confident | 32 Ų | 32 | 68.7 Ų | 68.7 | 16% | 0.158 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.6 | -37.9 | -179.3 | -62.1 | -59.7 | -82 | 0 | 0 | 113.4 | M623 R624 N714 G715 L720 F721 F722 | M623-M718 HydrophobicContact CB-CE 4.25Å; M623-M718 HydrophobicContact CB-SD 3.9Å; M623-M718 HydrophobicContact CE-SD 4.32Å; R624-M718 HydrophobicContact CB-CE 3.59Å; R624-M718 HydrophobicContact CG-CE 4Å; N714-M718 WeakPolarHBondContact O-CG 3.22Å; N714-M718 PolarHBondContact O-N 3.45Å; G715-M718 PolarHBondContact O-N 2.98Å; M718-L720 PolarHBondContact O-N 3.39Å; M718-F721 WeakPolarHBondContact O-CB 3.42Å; M718-F721 PolarHBondContact O-N 3.37Å; M718-F721 VanDerWaalsContact O-N 3.08Å; M718-F722 PolarHBondContact O-N 3.14Å |
| 719 | L | 81.3 | Confident | 75 | Confident | 106 Ų | 106 | 67.9 Ų | 67.9 | 56% | 0.555 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -61.8 | -28.9 | 177.9 | -79.6 | 168.9 | 0 | 0 | 0 | 113.2 | G715 K716 V717 F721 F722 | G715-L719 WeakPolarHBondContact O-CB 3.38Å; G715-L719 VanDerWaalsContact O-CG 3.26Å; G715-L719 WeakPolarHBondContact O-CG 3.5Å; G715-L719 PolarHBondContact O-N 3.21Å; K716-L719 PolarHBondContact O-N 2.78Å; V717-L719 PolarHBondContact O-N 3.49Å; L719-F721 PolarHBondContact O-N 3.08Å; L719-F722 WeakPolarHBondContact O-CB 3.35Å; L719-F722 PolarHBondContact O-N 3.19Å |
| 720 | L | 79.3 | Confident | 72.8 | Confident | 44 Ų | 44 | 67 Ų | 67 | 23% | 0.23 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -70.2 | -21.2 | 177.4 | -66.5 | 171.6 | 0 | 0 | 0 | 112.6 | R682 L683 A686 K716 V717 M718 | R682-L720 HydrophobicContact CB-CD1 4.16Å; R682-L720 HydrophobicContact CB-CD2 3.93Å; L683-L720 HydrophobicContact CB-CD1 4.2Å; L683-L720 HydrophobicContact CD1-CD1 4.27Å; A686-L720 HydrophobicContact CB-CD1 4.04Å; K716-L720 WeakPolarHBondContact O-CG 3.29Å; K716-L720 PolarHBondContact O-N 2.81Å; V717-L720 PolarHBondContact O-N 3.26Å; M718-L720 PolarHBondContact O-N 3.39Å |
| 721 | F | 70.9 | Confident | 70.3 | Confident | 2 Ų | 2 | 73 Ų | 73 | 1% | 0.009 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -80.4 | -31.4 | 172.5 | -66.4 | -97.6 | 0 | 0 | 0 | 112.1 | V616 E620 M623 V656 L683 V717 M718 L719 Y723 R724 | V616-F721 HydrophobicContact CG1-CD1 4.18Å; E620-F721 HydrophobicContact CB-CB 4.19Å; E620-F721 HydrophobicContact CB-CD1 4.01Å; E620-F721 HydrophobicContact CB-CG 4.3Å; E620-F721 HydrophobicContact CG-CB 3.64Å; E620-F721 HydrophobicContact CG-CD1 4.32Å; E620-F721 HydrophobicContact CG-CG 4.1Å; M623-F721 HydrophobicContact CE-CD2 4.48Å; M623-F721 HydrophobicContact CE-CE2 3.58Å; M623-F721 HydrophobicContact CE-CZ 3.68Å; M623-F721 HydrophobicContact SD-CE1 3.92Å; M623-F721 HydrophobicContact SD-CE2 3.9Å; M623-F721 HydrophobicContact SD-CZ 3.44Å; M623-F721 WeakPolarHBondContact SD-CZ 3.44Å; V656-F721 HydrophobicContact CB-CE1 3.99Å; V656-F721 HydrophobicContact CB-CZ 4.28Å; V656-F721 HydrophobicContact CG1-CE1 3.66Å; V656-F721 HydrophobicContact CG1-CZ 4.14Å; V656-F721 HydrophobicContact CG2-CE1 3.83Å; V656-F721 HydrophobicContact CG2-CZ 4.41Å; L683-F721 HydrophobicContact CD1-CE2 3.86Å; L683-F721 HydrophobicContact CD1-CZ 4.2Å; L683-F721 HydrophobicContact CD2-CZ 4.23Å; V717-F721 HydrophobicContact CG1-CE2 3.99Å; V717-F721 WeakPolarHBondContact O-CD2 3.48Å; V717-F721 WeakPolarHBondContact O-CE2 3.34Å; M718-F721 WeakPolarHBondContact O-CB 3.42Å; M718-F721 PolarHBondContact O-N 3.37Å; M718-F721 VanDerWaalsContact O-N 3.08Å; L719-F721 PolarHBondContact O-N 3.08Å; F721-Y723 PolarHBondContact O-N 3.11Å; F721-Y723 VanDerWaalsContact O-N 3.15Å; F721-R724 WeakPolarHBondContact O-CA 3.33Å; F721-R724 PolarHBondContact O-N 3.27Å |
| 722 | F | 54.1 | Low | 67.6 | Low | 158 Ų | 158 | 70.7 Ų | 70.7 | 69% | 0.693 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -60.7 | -28.5 | -176.2 | -152.6 | -93.6 | 0 | 0 | 0 | 113.4 | M718 L719 R724 | M718-F722 PolarHBondContact O-N 3.14Å; L719-F722 WeakPolarHBondContact O-CB 3.35Å; L719-F722 PolarHBondContact O-N 3.19Å; F722-R724 VanDerWaalsContact C-N 3.25Å; F722-R724 PolarHBondContact O-N 3.31Å |
| 723 | Y | 49.7 | Very low | 65.1 | Low | 198 Ų | 198 | 75.7 Ų | 75.7 | 78% | 0.776 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | 12 | 175.6 | -75 | -78.3 | 0 | 0 | 0 | 114.2 | F721 L725 | F721-Y723 PolarHBondContact O-N 3.11Å; F721-Y723 VanDerWaalsContact O-N 3.15Å; Y723-L725 VanDerWaalsContact C-N 3.3Å; Y723-L725 PolarHBondContact O-N 2.89Å |
| 724 | R | 56.1 | Low | 62.4 | Low | 186 Ų | 186 | 80.1 Ų | 80.1 | 70% | 0.702 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | 43.6 | 52.3 | -178.3 | -71.5 | -174 | 179.4 | 178.6 | 0.2 | 112.4 | F721 F722 S726 I727 | F721-R724 WeakPolarHBondContact O-CA 3.33Å; F721-R724 PolarHBondContact O-N 3.27Å; F722-R724 VanDerWaalsContact C-N 3.25Å; F722-R724 PolarHBondContact O-N 3.31Å; R724-S726 CarbonylContact O-C 3.42Å; R724-S726 WeakPolarHBondContact O-CA 3.49Å; R724-S726 PolarHBondContact O-N 2.88Å; R724-I727 PolarHBondContact O-N 3.27Å |
| 725 | L | 53.7 | Low | 59.7 | Low | 5 Ų | 5 | 84.7 Ų | 84.7 | 3% | 0.026 | 44% | 0.444 | C | S | . | . | G | 310 helix | trans | 26.5 | 46.1 | 170 | -80.3 | 162.3 | 0 | 0 | 0 | 115.1 | V616 V656 T660 L676 A679 Y723 I727 | V616-L725 HydrophobicContact CG1-CD1 3.95Å; V616-L725 HydrophobicContact CG2-CD1 4.24Å; V656-L725 HydrophobicContact CG1-CD1 3.33Å; T660-L725 HydrophobicContact CG2-CD2 4.25Å; L676-L725 WeakPolarHBondContact CD2-O 3.5Å; A679-L725 HydrophobicContact CB-CD2 3.61Å; Y723-L725 VanDerWaalsContact C-N 3.3Å; Y723-L725 PolarHBondContact O-N 2.89Å; L725-I727 HydrophobicContact CB-CD1 4.02Å; L725-I727 WeakPolarHBondContact O-CG1 3.13Å; L725-I727 PolarHBondContact O-N 3.49Å |
| 726 | S | 52.5 | Low | 57.1 | Low | 54 Ų | 54 | 93.1 Ų | 93.1 | 38% | 0.378 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | 32.5 | 18.4 | -166.1 | -48.9 | 0 | 0 | 0 | 0 | 119 | F672 R724 P728 | F672-S726 WeakPolarHBondContact CE2-O 3.47Å; R724-S726 CarbonylContact O-C 3.42Å; R724-S726 WeakPolarHBondContact O-CA 3.49Å; R724-S726 PolarHBondContact O-N 2.88Å; S726-P728 WeakPolarHBondContact O-CD 3.45Å |
| 727 | I | 54.2 | Low | 54.3 | Low | 23 Ų | 23 | 97.4 Ų | 97.4 | 12% | 0.118 | 49% | 0.486 | C | S | . | . | trans | -84.3 | 104.9 | -176.6 | -69.2 | 151.5 | 0 | 0 | 0 | 106.1 | A613 V616 L676 R724 L725 A729 | A613-I727 HydrophobicContact CB-CG2 4.11Å; V616-I727 HydrophobicContact CG2-CD1 4.16Å; L676-I727 HydrophobicContact CD2-CG1 3.79Å; R724-I727 PolarHBondContact O-N 3.27Å; L725-I727 HydrophobicContact CB-CD1 4.02Å; L725-I727 WeakPolarHBondContact O-CG1 3.13Å; L725-I727 PolarHBondContact O-N 3.49Å; I727-A729 PolarHBondContact O-N 2.94Å | ||
| 728 | P | 51.1 | Low | 51.5 | Low | 73 Ų | 73 | 100.6 Ų | 100.6 | 47% | 0.474 | 52% | 0.519 | S | S | . | . | trans | -61.5 | 136.2 | 171.4 | 27.3 | -31.6 | 0 | 0 | 0 | 107.5 | F672 S726 S730 | F672-P728 VanDerWaalsContact CE2-CD 3.44Å; F672-P728 HydrophobicContact CE2-CG 4.23Å; S726-P728 WeakPolarHBondContact O-CD 3.45Å; P728-S730 PolarHBondContact O-N 3.48Å | ||
| 729 | A | 48.3 | Very low | 48.9 | Very low | 54 Ų | 54 | 109.3 Ų | 109.3 | 45% | 0.446 | 55% | 0.551 | S | S | . | * | trans | -50.8 | 132.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | I727 N731 | I727-A729 PolarHBondContact O-N 2.94Å; A729-N731 HydrophobicContact CB-CB 4.41Å; A729-N731 PolarHBondContact O-N 3.39Å | ||
| 730 | S | 47.6 | Very low | 46.7 | Very low | 82 Ų | 82 | 109.9 Ų | 109.9 | 57% | 0.573 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -60.4 | -12.3 | 176.7 | 72.5 | 0 | 0 | 0 | 0 | 112.5 | D611 P728 G732 | D611-S730 WeakPolarHBondContact OD2-CB 3.35Å; D611-S730 PolarHBondContact OD2-OG 3.11Å; P728-S730 PolarHBondContact O-N 3.48Å; S730-G732 PolarHBondContact O-N 2.89Å |
| 731 | N | 41.9 | Very low | 44.5 | Very low | 127 Ų | 127 | 117.3 Ų | 117.3 | 68% | 0.679 | 59% | 0.592 | S | S | * | * | trans | -68.5 | 59.6 | 168.2 | -72.3 | -33.9 | 0 | 0 | 0 | 112.9 | A729 R733 | A729-N731 HydrophobicContact CB-CB 4.41Å; A729-N731 PolarHBondContact O-N 3.39Å; N731-R733 PolarHBondContact O-N 2.9Å | ||
| 732 | G | 38.7 | Very low | 42.7 | Very low | 44 Ų | 44 | 123 Ų | 123 | 45% | 0.454 | 63% | 0.631 | S | S | . | * | trans | -72.5 | 30.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S730 | S730-G732 PolarHBondContact O-N 2.89Š| ||
| 733 | R | 40.9 | Very low | 41.8 | Very low | 213 Ų | 213 | 120.9 Ų | 120.9 | 80% | 0.804 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 129.6 | 166.1 | -81.6 | -170.2 | -178.7 | -160.2 | 1.9 | 106.7 | N731 | N731-R733 PolarHBondContact O-N 2.9Š|
| 734 | P | 38.9 | Very low | 41.2 | Very low | 98 Ų | 98 | 118 Ų | 118 | 64% | 0.636 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 132 | 176.6 | 19.1 | -29.8 | 0 | 0 | 0 | 108.1 | K736 | P734-K736 PolarHBondContact O-N 3.38Š|
| 735 | P | 36.2 | Very low | 40.2 | Very low | 115 Ų | 115 | 112.8 Ų | 112.8 | 75% | 0.747 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 129.4 | -176.2 | 19.2 | -30.8 | 0 | 0 | 0 | 108.8 | R737 | P735-R737 PolarHBondContact O-N 3.31Š|
| 736 | K | 36.7 | Very low | 39.4 | Very low | 205 Ų | 205 | 118.7 Ų | 118.7 | 89% | 0.891 | 68% | 0.677 | S | S | * | * | trans | -57.8 | 106.6 | 169.6 | -72.6 | -175.7 | 179.2 | 179.6 | 0 | 106.3 | P734 G738 | P734-K736 PolarHBondContact O-N 3.38Å; K736-G738 PolarHBondContact O-N 3.28Å | ||
| 737 | R | 32.3 | Very low | 38.9 | Very low | 226 Ų | 226 | 120.4 Ų | 120.4 | 85% | 0.853 | 70% | 0.695 | S | S | * | * | trans | -62.2 | 105.1 | 172.4 | -80.9 | -171.5 | -178 | -160.3 | 0.5 | 107.4 | P735 Y739 | P735-R737 PolarHBondContact O-N 3.31Å; R737-Y739 PolarHBondContact O-N 3.26Å | ||
| 738 | G | 29.8 | Very low | 38.3 | Very low | 67 Ų | 67 | 124.7 Ų | 124.7 | 69% | 0.691 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -64 | 117.2 | 157.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | K736 P740 | K736-G738 PolarHBondContact O-N 3.28Å; G738-P740 WeakPolarHBondContact O-CD 3.33Å |
| 739 | Y | 33.3 | Very low | 38.4 | Very low | 215 Ų | 215 | 127 Ų | 127 | 84% | 0.843 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -63 | 123.5 | 172.1 | -73.7 | -90.4 | 0 | 0 | 0 | 108.4 | R737 F741 | R737-Y739 PolarHBondContact O-N 3.26Å; Y739-F741 PolarHBondContact O-N 3.47Å |
| 740 | P | 34.4 | Very low | 38.3 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 127.6 | 162.8 | -7.8 | 23.8 | 0 | 0 | 0 | 107.2 | G738 C742 | G738-P740 WeakPolarHBondContact O-CD 3.33Å; P740-C742 PolarHBondContact O-N 3.41Å |
| 741 | F | 34 | Very low | 38.2 | Very low | 201 Ų | 201 | 142 Ų | 142 | 88% | 0.882 | 78% | 0.78 | S | S | * | * | trans | -53.5 | 108.2 | 169.6 | -138.7 | -95.5 | 0 | 0 | 0 | 108.1 | Y739 C743 | Y739-F741 PolarHBondContact O-N 3.47Å; F741-C743 PolarHBondContact O-N 2.7Å | ||
| 742 | C | 32.4 | Very low | 39 | Very low | 120 Ų | 120 | 141 Ų | 141 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | trans | -83 | 107.7 | 174.6 | -149.1 | 0 | 0 | 0 | 0 | 107.3 | P740 V744 | P740-C742 PolarHBondContact O-N 3.41Å; C742-V744 PolarHBondContact O-N 2.75Å | ||
| 743 | C | 34.6 | Very low | 40 | Very low | 114 Ų | 114 | 144.4 Ų | 144.4 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | trans | -57 | 126.4 | 173.1 | -60 | 0 | 0 | 0 | 0 | 109.6 | F741 G745 | F741-C743 PolarHBondContact O-N 2.7Å; C743-G745 PolarHBondContact O-N 3.43Å | ||
| 744 | V | 37.2 | Very low | 40.6 | Very low | 138 Ų | 138 | 140.2 Ų | 140.2 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | trans | -65.4 | 97.3 | 173.4 | -176.5 | 0 | 0 | 0 | 0 | 108.4 | C742 V746 | C742-V744 PolarHBondContact O-N 2.75Å; V744-V746 HydrophobicContact CG1-CG2 4.35Å; V744-V746 PolarHBondContact O-N 3.05Å | ||
| 745 | G | 35.5 | Very low | 41.5 | Very low | 76 Ų | 76 | 141.4 Ų | 141.4 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | trans | -82.2 | 100.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110 | C743 A747 | C743-G745 PolarHBondContact O-N 3.43Å; G745-A747 PolarHBondContact O-N 3.14Å | ||
| 746 | V | 37.4 | Very low | 42.2 | Very low | 130 Ų | 130 | 144.3 Ų | 144.3 | 79% | 0.788 | 81% | 0.808 | S | S | * | * | trans | -72 | 113 | 170 | -179 | 0 | 0 | 0 | 0 | 108.7 | V744 | V744-V746 HydrophobicContact CG1-CG2 4.35Å; V744-V746 PolarHBondContact O-N 3.05Å | ||
| 747 | A | 42.1 | Very low | 42.6 | Very low | 90 Ų | 90 | 143.3 Ų | 143.3 | 74% | 0.744 | 81% | 0.807 | S | S | * | * | trans | -149.9 | 103.1 | 158.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | G745 P749 | G745-A747 PolarHBondContact O-N 3.14Å; A747-P749 WeakPolarHBondContact O-CD 3.32Å | ||
| 748 | S | 41.5 | Very low | 43.2 | Very low | 112 Ų | 112 | 140.6 Ų | 140.6 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 119.8 | 167 | -61.1 | 0 | 0 | 0 | 0 | 109.1 | ||
| 749 | P | 52.1 | Low | 44.2 | Very low | 122 Ų | 122 | 148.3 Ų | 148.3 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 137.4 | 163 | -0.3 | 20 | 0 | 0 | 0 | 109.7 | A747 | A747-P749 WeakPolarHBondContact O-CD 3.32Š|
| 750 | F | 46.7 | Very low | 45.2 | Very low | 208 Ų | 208 | 144 Ų | 144 | 91% | 0.912 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 136.4 | 177.5 | -72.6 | -97.1 | 0 | 0 | 0 | 113.1 | ||
| 751 | R | 46.4 | Very low | 46.5 | Very low | 244 Ų | 244 | 143.8 Ų | 143.8 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -90 | 118.8 | 176.9 | -157.7 | -176.8 | -126.5 | -128.9 | 3.5 | 109.8 | ||
| 752 | P | 57.6 | Low | 48.2 | Very low | 104 Ų | 104 | 140 Ų | 140 | 68% | 0.675 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 155.7 | 165.7 | -4.9 | 21.7 | 0 | 0 | 0 | 110.4 | ||
| 753 | P | 60.3 | Low | 49.5 | Very low | 117 Ų | 117 | 145.4 Ų | 145.4 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 150.6 | 175.8 | 27.7 | -32.4 | 0 | 0 | 0 | 111.7 | ||
| 754 | P | 54.2 | Low | 51.1 | Low | 124 Ų | 124 | 144.8 Ų | 144.8 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 136.4 | -163.9 | 31.4 | -32.9 | 0 | 0 | 0 | 112.8 | ||
| 755 | P | 56.8 | Low | 52.5 | Low | 123 Ų | 123 | 143.7 Ų | 143.7 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 136.7 | 156.2 | 14.4 | 1.9 | 0 | 0 | 0 | 110.6 | ||
| 756 | M | 51.6 | Low | 53.6 | Low | 177 Ų | 177 | 143.3 Ų | 143.3 | 87% | 0.872 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 8 | 119.7 | 163.8 | -84.8 | 161.8 | 43.9 | 0 | 0 | 119.5 | L758 | M756-L758 PolarHBondContact O-N 3.45Š|
| 757 | E | 45.2 | Very low | 54.6 | Low | 184 Ų | 184 | 141.2 Ų | 141.2 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | trans | 13.3 | 80.8 | 154.8 | -64.1 | -173.6 | 168.9 | 0 | 0 | 117.9 | R759 | E757-R759 PolarHBondContact O-N 3.39Š| ||
| 758 | L | 44.7 | Very low | 55.2 | Low | 169 Ų | 169 | 144.8 Ų | 144.8 | 89% | 0.885 | 78% | 0.775 | S | S | * | * | trans | -78.7 | 100.9 | 149.5 | -105.3 | 86.4 | 0 | 0 | 0 | 108 | M756 T760 | M756-L758 PolarHBondContact O-N 3.45Å; L758-T760 PolarHBondContact O-N 2.9Å; L758-T760 VanDerWaalsContact O-N 3.16Å | ||
| 759 | R | 50.9 | Low | 55.8 | Low | 229 Ų | 229 | 144.9 Ų | 144.9 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 117.1 | 163.9 | -80.9 | -177.3 | 173.5 | -176.1 | -2.6 | 108.3 | E757 | E757-R759 PolarHBondContact O-N 3.39Š|
| 760 | T | 52.9 | Low | 56 | Low | 125 Ų | 125 | 142.1 Ų | 142.1 | 77% | 0.767 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 134.4 | 164.6 | 45.6 | 0 | 0 | 0 | 0 | 108.4 | L758 | L758-T760 PolarHBondContact O-N 2.9Å; L758-T760 VanDerWaalsContact O-N 3.16Å |
| 761 | P | 62 | Low | 56.6 | Low | 113 Ų | 113 | 135.4 Ų | 135.4 | 73% | 0.734 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 143 | 175.1 | 22.2 | -31.3 | 0 | 0 | 0 | 109.9 | R763 | P761-R763 PolarHBondContact O-N 2.66Š|
| 762 | P | 69.6 | Low | 57.7 | Low | 122 Ų | 122 | 127.9 Ų | 127.9 | 79% | 0.792 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 135.5 | 177.5 | 23.4 | -31.8 | 0 | 0 | 0 | 109.7 | P764 | P762-P764 WeakPolarHBondContact O-CD 3.42Š|
| 763 | R | 60.9 | Low | 58.4 | Low | 233 Ų | 233 | 124.3 Ų | 124.3 | 88% | 0.879 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -63 | 120.7 | 177.8 | -163.3 | -178.2 | -158.6 | -145.9 | 3.4 | 108 | P761 | P761-R763 PolarHBondContact O-N 2.66Š|
| 764 | P | 67.1 | Low | 59.1 | Low | 100 Ų | 100 | 124.3 Ų | 124.3 | 65% | 0.649 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 155.8 | 171.1 | 23.7 | -30.2 | 0 | 0 | 0 | 109.7 | P762 | P762-P764 WeakPolarHBondContact O-CD 3.42Š|
| 765 | P | 66.8 | Low | 60.4 | Low | 116 Ų | 116 | 124.8 Ų | 124.8 | 75% | 0.753 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 144.1 | 170.9 | 22.4 | -31.5 | 0 | 0 | 0 | 109.4 | ||
| 766 | P | 58.7 | Low | 61.6 | Low | 68 Ų | 68 | 120.4 Ų | 120.4 | 44% | 0.442 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -54.1 | 150.9 | 175.5 | 23.9 | -31.6 | 0 | 0 | 0 | 110.2 | Q768 | P766-Q768 PolarHBondContact O-N 3.1Š|
| 767 | P | 59.1 | Low | 63 | Low | 86 Ų | 86 | 116.4 Ų | 116.4 | 56% | 0.558 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 136.2 | 176.6 | -18.2 | 29.4 | 0 | 0 | 0 | 109.9 | E769 T770 | P767-E769 PolarHBondContact O-N 3.14Å; P767-T770 PolarHBondContact O-N 2.77Å; P767-T770 PolarHBondContact O-OG1 3.46Å |
| 768 | Q | 55.4 | Low | 64.9 | Low | 165 Ų | 165 | 109.1 Ų | 109.1 | 77% | 0.771 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -49.1 | -31.5 | 177.9 | -79.1 | 177.1 | -56 | 0 | 0 | 112.8 | P766 T770 D771 D772 | P766-Q768 PolarHBondContact O-N 3.1Å; Q768-T770 VanDerWaalsContact C-N 3.31Å; Q768-T770 PolarHBondContact O-N 2.89Å; Q768-D771 PolarHBondContact O-N 2.9Å; Q768-D771 VanDerWaalsContact O-N 3.13Å; Q768-D772 PolarHBondContact O-N 3.18Å; Q768-D772 VanDerWaalsContact O-N 3.07Å |
| 769 | E | 53.1 | Low | 67 | Low | 114 Ų | 114 | 102.9 Ų | 102.9 | 53% | 0.533 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.7 | -28.4 | 178.7 | -59.4 | 178.4 | 179.7 | 0 | 0 | 114.8 | P767 | P767-E769 PolarHBondContact O-N 3.14Å |
| 770 | T | 55.5 | Low | 68.8 | Low | 64 Ų | 64 | 93.3 Ų | 93.3 | 39% | 0.393 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -75.7 | -34.4 | 174 | 47.4 | 0 | 0 | 0 | 0 | 111.5 | P767 Q768 E774 | P767-T770 PolarHBondContact O-N 2.77Å; P767-T770 PolarHBondContact O-OG1 3.46Å; Q768-T770 VanDerWaalsContact C-N 3.31Å; Q768-T770 PolarHBondContact O-N 2.89Å; T770-E774 WeakPolarHBondContact O-CG 3.46Å; T770-E774 PolarHBondContact O-N 2.89Å |
| 771 | D | 60.2 | Low | 70.3 | Confident | 66 Ų | 66 | 94.3 Ų | 94.3 | 35% | 0.353 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.2 | -43.6 | 179.3 | -65.8 | -2.8 | 0 | 0 | 0 | 109.9 | Q768 E773 E774 E775 | Q768-D771 PolarHBondContact O-N 2.9Å; Q768-D771 VanDerWaalsContact O-N 3.13Å; D771-E773 PolarHBondContact O-N 2.81Å; D771-E774 PolarHBondContact O-N 2.88Å; D771-E775 WeakPolarHBondContact O-CB 3.24Å; D771-E775 WeakPolarHBondContact O-CG 3.36Å; D771-E775 PolarHBondContact O-N 3.22Å |
| 772 | D | 69.6 | Low | 71.4 | Confident | 86 Ų | 86 | 99 Ų | 99 | 46% | 0.46 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59 | -45.9 | 179.2 | -71.7 | -21.1 | 0 | 0 | 0 | 112.8 | Q768 E775 M776 | Q768-D772 PolarHBondContact O-N 3.18Å; Q768-D772 VanDerWaalsContact O-N 3.07Å; D772-E775 PolarHBondContact O-N 3.05Å; D772-M776 WeakPolarHBondContact O-CB 3.1Å; D772-M776 WeakPolarHBondContact O-CG 3.33Å; D772-M776 PolarHBondContact O-N 3.25Å |
| 773 | E | 72.8 | Confident | 72.1 | Confident | 29 Ų | 29 | 93.8 Ų | 93.8 | 14% | 0.136 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -71.8 | -31.6 | -179.5 | -74.5 | -97.7 | -138.1 | 0 | 0 | 112.5 | D771 R777 S808 K818 K953 | D771-E773 PolarHBondContact O-N 2.81Å; E773-R777 WeakPolarHBondContact O-CB 3.34Å; E773-R777 PolarHBondContact O-N 3.46Å; E773-S808 PolarHBondContact OE1-N 3.12Å; E773-S808 PolarHBondContact OE1-OG 3.36Å; E773-K818 IonicContact OE1-NZ 3.76Å; E773-K818 PolarHBondContact OE1-NZ 3.04Å; E773-K818 IonicContact OE2-NZ 3.84Å; E773-K818 PolarHBondContact OE2-NZ 3.3Å; E773-K953 VanDerWaalsContact OE1-CE 3.25Å; E773-K953 WeakPolarHBondContact OE1-CE 3.32Å; E773-K953 IonicContact OE1-NZ 3.34Å; E773-K953 PolarHBondContact OE1-NZ 3.48Å; E773-K953 IonicContact OE2-NZ 3.92Å; E773-K953 PolarHBondContact OE2-NZ 3.49Å |
| 774 | E | 75.2 | Confident | 73 | Confident | 117 Ų | 117 | 86.4 Ų | 86.4 | 55% | 0.547 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -68.4 | -42.4 | 172.1 | -76.6 | -178.1 | -170.4 | 0 | 0 | 111.6 | T770 D771 R777 A778 | T770-E774 WeakPolarHBondContact O-CG 3.46Å; T770-E774 PolarHBondContact O-N 2.89Å; D771-E774 PolarHBondContact O-N 2.88Å; E774-R777 PolarHBondContact O-N 3.02Å; E774-A778 WeakPolarHBondContact O-CB 3.21Å; E774-A778 PolarHBondContact O-N 3.31Å |
| 775 | E | 80 | Confident | 73.7 | Confident | 135 Ų | 135 | 87.7 Ų | 87.7 | 63% | 0.631 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -61.9 | -43.3 | 173.7 | -74.8 | -176 | -172.5 | 0 | 0 | 112 | D771 D772 R777 A778 F779 | D771-E775 WeakPolarHBondContact O-CB 3.24Å; D771-E775 WeakPolarHBondContact O-CG 3.36Å; D771-E775 PolarHBondContact O-N 3.22Å; D772-E775 PolarHBondContact O-N 3.05Å; E775-R777 PolarHBondContact O-N 3.25Å; E775-A778 PolarHBondContact O-N 3.11Å; E775-F779 WeakPolarHBondContact O-CB 3.41Å; E775-F779 PolarHBondContact O-N 2.83Å |
| 776 | M | 82.3 | Confident | 74.2 | Confident | 30 Ų | 30 | 84.2 Ų | 84.2 | 15% | 0.148 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -61.1 | -44 | 174.8 | -69.9 | -173.6 | -168.6 | 0 | 0 | 111.2 | D772 F779 W780 K818 R819 I822 | D772-M776 WeakPolarHBondContact O-CB 3.1Å; D772-M776 WeakPolarHBondContact O-CG 3.33Å; D772-M776 PolarHBondContact O-N 3.25Å; M776-F779 WeakPolarHBondContact O-CB 3.38Å; M776-F779 PolarHBondContact O-N 3.45Å; M776-W780 PolarHBondContact O-N 3.02Å; M776-K818 HydrophobicContact CE-CB 4.31Å; M776-K818 HydrophobicContact SD-CB 3.76Å; M776-K818 HydrophobicContact SD-CD 3.85Å; M776-K818 HydrophobicContact SD-CG 4.35Å; M776-R819 HydrophobicContact CE-CG 4.29Å; M776-I822 HydrophobicContact CB-CD1 3.99Å; M776-I822 HydrophobicContact CG-CD1 3.51Å; M776-I822 HydrophobicContact SD-CD1 4.22Å |
| 777 | R | 81.1 | Confident | 75.1 | Confident | 93 Ų | 93 | 87.9 Ų | 87.9 | 35% | 0.351 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.7 | -49.2 | 176.3 | -172.4 | -171.2 | -67.8 | 107 | -6.8 | 110.9 | E773 E774 E775 F779 W780 E781 S957 | E773-R777 WeakPolarHBondContact O-CB 3.34Å; E773-R777 PolarHBondContact O-N 3.46Å; E774-R777 PolarHBondContact O-N 3.02Å; E775-R777 PolarHBondContact O-N 3.25Å; R777-F779 PolarHBondContact O-N 3.1Å; R777-W780 PolarHBondContact O-N 3.05Å; R777-W780 VanDerWaalsContact O-N 3.11Å; R777-E781 WeakPolarHBondContact O-CG 3.29Å; R777-E781 PolarHBondContact O-N 3.02Å; R777-S957 PolarHBondContact NH2-O 2.77Å |
| 778 | A | 84.6 | Confident | 75.6 | Confident | 31 Ų | 31 | 89.3 Ų | 89.3 | 26% | 0.256 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.7 | -31.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E774 E775 R782 | E774-A778 WeakPolarHBondContact O-CB 3.21Å; E774-A778 PolarHBondContact O-N 3.31Å; E775-A778 PolarHBondContact O-N 3.11Å; A778-R782 WeakPolarHBondContact O-CD 3.39Å; A778-R782 VanDerWaalsContact O-CG 3.31Å; A778-R782 WeakPolarHBondContact O-CG 3.47Å |
| 779 | F | 88.8 | Confident | 76.5 | Confident | 38 Ų | 38 | 87.4 Ų | 87.4 | 17% | 0.167 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -63.6 | -52.7 | 171.8 | 176.7 | -94 | 0 | 0 | 0 | 111.3 | E775 M776 R777 E781 R782 V783 I822 A825 R826 | E775-F779 WeakPolarHBondContact O-CB 3.41Å; E775-F779 PolarHBondContact O-N 2.83Å; M776-F779 WeakPolarHBondContact O-CB 3.38Å; M776-F779 PolarHBondContact O-N 3.45Å; R777-F779 PolarHBondContact O-N 3.1Å; F779-E781 VanDerWaalsContact C-N 3.3Å; F779-E781 PolarHBondContact O-N 3.48Å; F779-R782 PolarHBondContact O-N 3.07Å; F779-V783 HydrophobicContact CD1-CG2 3.96Å; F779-V783 HydrophobicContact CD2-CG2 4.49Å; F779-V783 HydrophobicContact CE1-CG2 3.54Å; F779-V783 HydrophobicContact CE2-CG2 4.12Å; F779-V783 HydrophobicContact CG-CG2 4.42Å; F779-V783 HydrophobicContact CZ-CG2 3.63Å; F779-V783 WeakPolarHBondContact O-CG2 3.45Å; F779-V783 PolarHBondContact O-N 3.21Å; F779-V783 VanDerWaalsContact O-N 3.14Å; F779-I822 HydrophobicContact CD1-CB 4.36Å; F779-I822 HydrophobicContact CD1-CD1 4.45Å; F779-I822 HydrophobicContact CD1-CG1 3.84Å; F779-I822 HydrophobicContact CD1-CG2 4Å; F779-I822 HydrophobicContact CD2-CG2 4.28Å; F779-I822 HydrophobicContact CE1-CB 4.13Å; F779-I822 HydrophobicContact CE1-CG1 4.03Å; F779-I822 HydrophobicContact CE1-CG2 3.79Å; F779-I822 HydrophobicContact CE2-CG2 4.1Å; F779-I822 HydrophobicContact CG-CG2 4.23Å; F779-I822 HydrophobicContact CZ-CG2 3.85Å; F779-A825 HydrophobicContact CE1-CB 3.92Å; F779-A825 HydrophobicContact CZ-CB 3.98Å; F779-R826 HydrophobicContact CE2-CG 4.12Å; F779-R826 HydrophobicContact CZ-CG 4.09Å |
| 780 | W | 88.5 | Confident | 77.9 | Confident | 29 Ų | 29 | 83 Ų | 83 | 11% | 0.11 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -67.9 | -26.6 | -178.1 | -72.5 | 105.7 | 0 | 0 | 0 | 113.7 | M776 R777 R782 V783 A796 H797 H800 A821 I822 A825 | M776-W780 PolarHBondContact O-N 3.02Å; R777-W780 PolarHBondContact O-N 3.05Å; R777-W780 VanDerWaalsContact O-N 3.11Å; W780-R782 PolarHBondContact O-N 3Å; W780-V783 HydrophobicContact CE3-CB 4.39Å; W780-V783 HydrophobicContact CE3-CG1 4.4Å; W780-V783 HydrophobicContact CZ3-CG1 4.36Å; W780-V783 PolarHBondContact O-N 3.33Å; W780-A796 HydrophobicContact CH2-CB 4.18Å; W780-H797 AromaticContact CE3-NE2 3.95Å; W780-H797 AromaticContact CZ3-CD2 3.78Å; W780-H797 AromaticContact CZ3-CE1 3.72Å; W780-H797 AromaticContact CZ3-CG 3.87Å; W780-H797 AromaticContact CZ3-ND1 3.82Å; W780-H797 AromaticContact CZ3-NE2 3.71Å; W780-H800 AromaticContact CD1-CE1 3.26Å; W780-H800 AromaticContact CD1-ND1 3.63Å; W780-H800 AromaticContact CD1-NE2 3.65Å; W780-H800 HydrophobicContact CD2-CB 4.5Å; W780-H800 AromaticContact CD2-CD2 3.68Å; W780-H800 AromaticContact CD2-CG 3.82Å; W780-H800 AromaticContact CD2-NE2 3.85Å; W780-H800 AromaticContact CE2-CD2 3.81Å; W780-H800 AromaticContact CE2-CE1 3.86Å; W780-H800 AromaticContact CE2-CG 3.43Å; W780-H800 VanDerWaalsContact CE2-CG 3.43Å; W780-H800 AromaticContact CE2-ND1 3.48Å; W780-H800 AromaticContact CG-CD2 3.97Å; W780-H800 AromaticContact CG-CE1 3.72Å; W780-H800 AromaticContact CG-NE2 3.61Å; W780-H800 HydrophobicContact CH2-CB 3.8Å; W780-H800 HydrophobicContact CZ2-CB 3.53Å; W780-H800 AromaticContact CZ2-CG 3.65Å; W780-H800 AromaticContact CZ2-ND1 3.98Å; W780-H800 HydrophobicContact CZ3-CB 4.39Å; W780-H800 AromaticContact NE1-CE1 3.38Å; W780-H800 PolarHBondContact NE1-CE1 2.95Å; W780-H800 AromaticContact NE1-CG 3.69Å; W780-H800 AromaticContact NE1-ND1 3.21Å; W780-H800 PolarHBondContact NE1-ND1 3.39Å; W780-H800 AromaticContact NE1-NE2 3.96Å; W780-A821 HydrophobicContact CZ2-CB 3.9Å; W780-I822 HydrophobicContact CZ2-CG1 4.34Å; W780-A825 HydrophobicContact CH2-CB 4.03Å; W780-A825 HydrophobicContact CZ3-CB 4.45Å |
| 781 | E | 84.9 | Confident | 79.5 | Confident | 146 Ų | 146 | 81.9 Ų | 81.9 | 68% | 0.682 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -65.4 | -27.1 | 170.6 | -74.7 | 173.4 | -173.2 | 0 | 0 | 113.1 | R777 F779 | R777-E781 WeakPolarHBondContact O-CG 3.29Å; R777-E781 PolarHBondContact O-N 3.02Å; F779-E781 VanDerWaalsContact C-N 3.3Å; F779-E781 PolarHBondContact O-N 3.48Å |
| 782 | R | 85.3 | Confident | 80.9 | Confident | 211 Ų | 211 | 78.9 Ų | 78.9 | 80% | 0.796 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -91.8 | -22.6 | 179.6 | -65 | 170.7 | -170.9 | 179.2 | 4.6 | 113.1 | A778 F779 W780 | A778-R782 WeakPolarHBondContact O-CD 3.39Å; A778-R782 VanDerWaalsContact O-CG 3.31Å; A778-R782 WeakPolarHBondContact O-CG 3.47Å; F779-R782 PolarHBondContact O-N 3.07Å; W780-R782 PolarHBondContact O-N 3Å |
| 783 | V | 84 | Confident | 82 | Confident | 13 Ų | 13 | 75 Ų | 75 | 8% | 0.079 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -79.3 | 124.1 | -179 | 173.4 | 0 | 0 | 0 | 0 | 109.5 | F779 W780 L793 | F779-V783 HydrophobicContact CD1-CG2 3.96Å; F779-V783 HydrophobicContact CD2-CG2 4.49Å; F779-V783 HydrophobicContact CE1-CG2 3.54Å; F779-V783 HydrophobicContact CE2-CG2 4.12Å; F779-V783 HydrophobicContact CG-CG2 4.42Å; F779-V783 HydrophobicContact CZ-CG2 3.63Å; F779-V783 WeakPolarHBondContact O-CG2 3.45Å; F779-V783 PolarHBondContact O-N 3.21Å; F779-V783 VanDerWaalsContact O-N 3.14Å; W780-V783 HydrophobicContact CE3-CB 4.39Å; W780-V783 HydrophobicContact CE3-CG1 4.4Å; W780-V783 HydrophobicContact CZ3-CG1 4.36Å; W780-V783 PolarHBondContact O-N 3.33Å; V783-L793 HydrophobicContact CG1-CD1 3.82Å |
| 784 | P | 80.5 | Confident | 82.7 | Confident | 77 Ų | 77 | 76.5 Ų | 76.5 | 50% | 0.5 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 152.2 | 178.3 | 28.3 | -34.5 | 0 | 0 | 0 | 111.2 | H797 | P784-H797 PolarHBondContact O-CE1 2.89Š|
| 785 | L | 80.9 | Confident | 83.4 | Confident | 127 Ų | 127 | 71.5 Ų | 71.5 | 67% | 0.665 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 142.4 | 169.6 | -69.5 | 173.2 | 0 | 0 | 0 | 110.3 | K787 | L785-K787 PolarHBondContact O-N 3.34Š|
| 786 | P | 77.8 | Confident | 84 | Confident | 43 Ų | 43 | 65 Ų | 65 | 28% | 0.279 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 133 | -175 | 26 | -31.8 | 0 | 0 | 0 | 110.7 | L793 | P786-L793 HydrophobicContact CB-CB 4.24Å; P786-L793 HydrophobicContact CB-CD2 4.29Å; P786-L793 HydrophobicContact CB-CG 4.09Å |
| 787 | K | 77.6 | Confident | 84.4 | Confident | 145 Ų | 145 | 64.4 Ų | 64.4 | 63% | 0.63 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -84.2 | 162.7 | 167.7 | -62.9 | 177.5 | -176.5 | 176.5 | 0 | 109.9 | L785 N789 Q790 | L785-K787 PolarHBondContact O-N 3.34Å; K787-N789 VanDerWaalsContact CB-OD1 3.28Å; K787-N789 WeakPolarHBondContact CB-OD1 3.44Å; K787-N789 PolarHBondContact O-N 2.79Å; K787-N789 VanDerWaalsContact O-N 3.08Å; K787-Q790 HydrophobicContact CB-CG 4.22Å; K787-Q790 WeakPolarHBondContact O-CB 3.42Å; K787-Q790 PolarHBondContact O-N 2.96Å |
| 788 | A | 69.6 | Low | 84.7 | Confident | 116 Ų | 116 | 62.1 Ų | 62.1 | 96% | 0.959 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -30.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q790 | A788-Q790 VanDerWaalsContact C-N 3.28Å; A788-Q790 PolarHBondContact O-N 2.69Å |
| 789 | N | 74.8 | Confident | 85.1 | Confident | 125 Ų | 125 | 60.7 Ų | 60.7 | 67% | 0.668 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | 16 | 177 | 67.7 | -28.6 | 0 | 0 | 0 | 114.3 | K787 | K787-N789 VanDerWaalsContact CB-OD1 3.28Å; K787-N789 WeakPolarHBondContact CB-OD1 3.44Å; K787-N789 PolarHBondContact O-N 2.79Å; K787-N789 VanDerWaalsContact O-N 3.08Å |
| 790 | Q | 83.2 | Confident | 85.2 | Confident | 21 Ų | 21 | 60.5 Ų | 60.5 | 10% | 0.098 | 33% | 0.326 | C | S | . | . | trans | -127.9 | 61.2 | -176.9 | -55 | -177.4 | -34.7 | 0 | 0 | 112.1 | K787 A788 I792 L793 S794 R832 | K787-Q790 HydrophobicContact CB-CG 4.22Å; K787-Q790 WeakPolarHBondContact O-CB 3.42Å; K787-Q790 PolarHBondContact O-N 2.96Å; A788-Q790 VanDerWaalsContact C-N 3.28Å; A788-Q790 PolarHBondContact O-N 2.69Å; Q790-I792 PolarHBondContact O-N 2.95Å; Q790-L793 HydrophobicContact CB-CB 4.05Å; Q790-L793 PolarHBondContact O-N 3.46Å; Q790-S794 PolarHBondContact O-N 2.8Å; Q790-R832 VanDerWaalsContact CG-NH1 3.29Å; Q790-R832 VanDerWaalsContact NE2-NH1 3.12Å | ||
| 791 | P | 87.7 | Confident | 85.2 | Confident | 42 Ų | 42 | 66.8 Ų | 66.8 | 27% | 0.273 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.2 | -35.6 | -173.4 | 26.3 | -35.8 | 0 | 0 | 0 | 113.6 | L793 S794 A795 V916 | P791-L793 VanDerWaalsContact C-N 3.34Å; P791-L793 PolarHBondContact O-N 3.34Å; P791-S794 VanDerWaalsContact O-CB 3.3Å; P791-S794 WeakPolarHBondContact O-CB 3.33Å; P791-S794 PolarHBondContact O-N 2.72Å; P791-S794 VanDerWaalsContact O-N 3.14Å; P791-A795 PolarHBondContact O-N 3.19Å; P791-V916 HydrophobicContact CB-CG1 3.56Å; P791-V916 HydrophobicContact CG-CB 4.2Å; P791-V916 HydrophobicContact CG-CG1 3.34Å; P791-V916 HydrophobicContact CG-CG2 3.72Å |
| 792 | I | 91 | Very high | 85.3 | Confident | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.015 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 175 | -62.4 | 169.4 | 0 | 0 | 0 | 110.7 | Q790 S794 A795 A796 M824 V831 L915 V916 A919 | Q790-I792 PolarHBondContact O-N 2.95Å; I792-S794 VanDerWaalsContact C-N 3.29Å; I792-S794 PolarHBondContact O-N 3.43Å; I792-A795 WeakPolarHBondContact O-CB 3.18Å; I792-A795 PolarHBondContact O-N 3.18Å; I792-A796 PolarHBondContact O-N 2.95Å; I792-M824 HydrophobicContact CG2-CG 3.96Å; I792-M824 HydrophobicContact CG2-SD 3.59Å; I792-M824 VanDerWaalsContact CG2-SD 3.59Å; I792-V831 HydrophobicContact CD1-CG2 4.02Å; I792-L915 HydrophobicContact CD1-CG 4.44Å; I792-V916 HydrophobicContact CD1-CG2 3.93Å; I792-V916 HydrophobicContact CG1-CB 4.37Å; I792-V916 HydrophobicContact CG1-CG2 3.86Å; I792-A919 HydrophobicContact CG1-CB 4.09Å; I792-A919 HydrophobicContact CG2-CB 4.24Å |
| 793 | L | 92 | Very high | 85.6 | Confident | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.8 | -35.1 | 176.1 | -172.9 | 58.4 | 0 | 0 | 0 | 111.7 | V783 P786 Q790 P791 A796 H797 A825 | V783-L793 HydrophobicContact CG1-CD1 3.82Å; P786-L793 HydrophobicContact CB-CB 4.24Å; P786-L793 HydrophobicContact CB-CD2 4.29Å; P786-L793 HydrophobicContact CB-CG 4.09Å; Q790-L793 HydrophobicContact CB-CB 4.05Å; Q790-L793 PolarHBondContact O-N 3.46Å; P791-L793 VanDerWaalsContact C-N 3.34Å; P791-L793 PolarHBondContact O-N 3.34Å; L793-A796 PolarHBondContact O-N 2.9Å; L793-H797 PolarHBondContact O-N 3.44Å; L793-H797 PolarHBondContact O-ND1 3.38Å; L793-A825 HydrophobicContact CD1-CB 3.92Å |
| 794 | S | 87.8 | Confident | 85.7 | Confident | 61 Ų | 61 | 53.8 Ų | 53.8 | 43% | 0.427 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 173 | -169.9 | 0 | 0 | 0 | 0 | 111.6 | Q790 P791 I792 A796 H797 S798 | Q790-S794 PolarHBondContact O-N 2.8Å; P791-S794 VanDerWaalsContact O-CB 3.3Å; P791-S794 WeakPolarHBondContact O-CB 3.33Å; P791-S794 PolarHBondContact O-N 2.72Å; P791-S794 VanDerWaalsContact O-N 3.14Å; I792-S794 VanDerWaalsContact C-N 3.29Å; I792-S794 PolarHBondContact O-N 3.43Å; S794-A796 VanDerWaalsContact C-N 3.34Å; S794-A796 PolarHBondContact O-N 3.06Å; S794-H797 PolarHBondContact O-N 3.28Å; S794-S798 PolarHBondContact O-N 2.85Å |
| 795 | A | 89.6 | Confident | 86 | Confident | 11 Ų | 11 | 52.2 Ų | 52.2 | 9% | 0.091 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.3 | -44.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | P791 I792 S798 L799 Q920 M923 | P791-A795 PolarHBondContact O-N 3.19Å; I792-A795 WeakPolarHBondContact O-CB 3.18Å; I792-A795 PolarHBondContact O-N 3.18Å; A795-S798 WeakPolarHBondContact O-CB 3.5Å; A795-S798 PolarHBondContact O-N 3.18Å; A795-L799 PolarHBondContact O-N 3.15Å; A795-L799 VanDerWaalsContact O-N 3.07Å; A795-Q920 HydrophobicContact CB-CG 4.02Å; A795-M923 HydrophobicContact CB-CB 4.07Å; A795-M923 HydrophobicContact CB-CG 3.87Å |
| 796 | A | 93.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.8 | -46 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | W780 I792 L793 S794 S798 L799 H800 M824 A825 | W780-A796 HydrophobicContact CH2-CB 4.18Å; I792-A796 PolarHBondContact O-N 2.95Å; L793-A796 PolarHBondContact O-N 2.9Å; S794-A796 VanDerWaalsContact C-N 3.34Å; S794-A796 PolarHBondContact O-N 3.06Å; A796-S798 VanDerWaalsContact C-N 3.33Å; A796-S798 PolarHBondContact O-N 3.38Å; A796-L799 PolarHBondContact O-N 2.89Å; A796-H800 WeakPolarHBondContact O-CB 3.42Å; A796-H800 PolarHBondContact O-N 2.76Å; A796-M824 HydrophobicContact CB-CB 3.93Å; A796-M824 HydrophobicContact CB-CG 3.98Å; A796-A825 HydrophobicContact CB-CB 4.05Å |
| 797 | H | 89.6 | Confident | 86.7 | Confident | 17 Ų | 17 | 45.8 Ų | 45.8 | 8% | 0.079 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.8 | -37 | 175.7 | -80.9 | 86.4 | 0 | 0 | 0 | 112.4 | W780 P784 L793 S794 H800 R801 | W780-H797 AromaticContact CE3-NE2 3.95Å; W780-H797 AromaticContact CZ3-CD2 3.78Å; W780-H797 AromaticContact CZ3-CE1 3.72Å; W780-H797 AromaticContact CZ3-CG 3.87Å; W780-H797 AromaticContact CZ3-ND1 3.82Å; W780-H797 AromaticContact CZ3-NE2 3.71Å; P784-H797 PolarHBondContact O-CE1 2.89Å; L793-H797 PolarHBondContact O-N 3.44Å; L793-H797 PolarHBondContact O-ND1 3.38Å; S794-H797 PolarHBondContact O-N 3.28Å; H797-H800 PolarHBondContact O-N 3.33Å; H797-R801 WeakPolarHBondContact O-CB 3.5Å; H797-R801 WeakPolarHBondContact O-CG 3.41Å; H797-R801 PolarHBondContact O-N 2.8Å |
| 798 | S | 87.8 | Confident | 87 | Confident | 45 Ų | 45 | 40.1 Ų | 40.1 | 32% | 0.315 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.3 | -48.5 | 177.5 | -175.5 | 0 | 0 | 0 | 0 | 111.3 | S794 A795 A796 R801 E802 K927 | S794-S798 PolarHBondContact O-N 2.85Å; A795-S798 WeakPolarHBondContact O-CB 3.5Å; A795-S798 PolarHBondContact O-N 3.18Å; A796-S798 VanDerWaalsContact C-N 3.33Å; A796-S798 PolarHBondContact O-N 3.38Å; S798-R801 PolarHBondContact O-N 3.34Å; S798-E802 PolarHBondContact O-N 2.94Å; S798-K927 PolarHBondContact OG-NZ 2.95Å |
| 799 | L | 91.8 | Very high | 87.5 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.9 | -46.9 | 175 | 179.2 | 60.2 | 0 | 0 | 0 | 110.8 | A795 A796 R801 E802 V803 M820 A821 M923 V926 K927 | A795-L799 PolarHBondContact O-N 3.15Å; A795-L799 VanDerWaalsContact O-N 3.07Å; A796-L799 PolarHBondContact O-N 2.89Å; L799-R801 VanDerWaalsContact C-N 3.31Å; L799-R801 PolarHBondContact O-N 3.09Å; L799-E802 WeakPolarHBondContact O-CB 3.48Å; L799-E802 PolarHBondContact O-N 3.35Å; L799-V803 HydrophobicContact CD1-CG1 3.91Å; L799-V803 HydrophobicContact CG-CG1 4.44Å; L799-V803 WeakPolarHBondContact O-CG2 3.36Å; L799-V803 PolarHBondContact O-N 2.95Å; L799-M820 HydrophobicContact CD2-CB 4.21Å; L799-A821 HydrophobicContact CB-CB 4.35Å; L799-A821 HydrophobicContact CD2-CB 4.13Å; L799-A821 HydrophobicContact CG-CB 4.18Å; L799-M923 HydrophobicContact CB-CB 4.34Å; L799-M923 HydrophobicContact CB-SD 4.15Å; L799-M923 HydrophobicContact CD2-CE 4.16Å; L799-M923 HydrophobicContact CD2-SD 3.46Å; L799-M923 WeakPolarHBondContact CD2-SD 3.35Å; L799-M923 HydrophobicContact CG-SD 4.45Å; L799-V926 HydrophobicContact CD1-CB 4.37Å; L799-V926 HydrophobicContact CD1-CG1 3.89Å; L799-V926 HydrophobicContact CD2-CB 4.38Å; L799-V926 HydrophobicContact CD2-CG1 3.96Å; L799-K927 HydrophobicContact CD1-CB 4.06Å |
| 800 | H | 92 | Very high | 87.7 | Confident | 33 Ų | 33 | 39.4 Ų | 39.4 | 15% | 0.153 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -54.2 | -46 | 178.3 | 177 | 58.4 | 0 | 0 | 0 | 112.2 | W780 A796 H797 E802 V803 Q804 A821 | W780-H800 AromaticContact CD1-CE1 3.26Å; W780-H800 AromaticContact CD1-ND1 3.63Å; W780-H800 AromaticContact CD1-NE2 3.65Å; W780-H800 HydrophobicContact CD2-CB 4.5Å; W780-H800 AromaticContact CD2-CD2 3.68Å; W780-H800 AromaticContact CD2-CG 3.82Å; W780-H800 AromaticContact CD2-NE2 3.85Å; W780-H800 AromaticContact CE2-CD2 3.81Å; W780-H800 AromaticContact CE2-CE1 3.86Å; W780-H800 AromaticContact CE2-CG 3.43Å; W780-H800 VanDerWaalsContact CE2-CG 3.43Å; W780-H800 AromaticContact CE2-ND1 3.48Å; W780-H800 AromaticContact CG-CD2 3.97Å; W780-H800 AromaticContact CG-CE1 3.72Å; W780-H800 AromaticContact CG-NE2 3.61Å; W780-H800 HydrophobicContact CH2-CB 3.8Å; W780-H800 HydrophobicContact CZ2-CB 3.53Å; W780-H800 AromaticContact CZ2-CG 3.65Å; W780-H800 AromaticContact CZ2-ND1 3.98Å; W780-H800 HydrophobicContact CZ3-CB 4.39Å; W780-H800 AromaticContact NE1-CE1 3.38Å; W780-H800 PolarHBondContact NE1-CE1 2.95Å; W780-H800 AromaticContact NE1-CG 3.69Å; W780-H800 AromaticContact NE1-ND1 3.21Å; W780-H800 PolarHBondContact NE1-ND1 3.39Å; W780-H800 AromaticContact NE1-NE2 3.96Å; A796-H800 WeakPolarHBondContact O-CB 3.42Å; A796-H800 PolarHBondContact O-N 2.76Å; H797-H800 PolarHBondContact O-N 3.33Å; H800-E802 VanDerWaalsContact C-N 3.26Å; H800-E802 PolarHBondContact O-N 2.99Å; H800-V803 PolarHBondContact O-N 3.26Å; H800-Q804 VanDerWaalsContact O-CB 3.25Å; H800-Q804 WeakPolarHBondContact O-CB 3.44Å; H800-Q804 WeakPolarHBondContact O-CG 3.48Å; H800-Q804 PolarHBondContact O-N 3.47Å; H800-A821 HydrophobicContact CB-CB 4.11Å |
| 801 | R | 88 | Confident | 88 | Confident | 162 Ų | 162 | 38.4 Ų | 38.4 | 61% | 0.611 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -60.9 | -33.8 | 178.8 | -78.9 | -177.7 | 178.5 | 177.6 | 1.7 | 113.3 | H797 S798 L799 Q804 | H797-R801 WeakPolarHBondContact O-CB 3.5Å; H797-R801 WeakPolarHBondContact O-CG 3.41Å; H797-R801 PolarHBondContact O-N 2.8Å; S798-R801 PolarHBondContact O-N 3.34Å; L799-R801 VanDerWaalsContact C-N 3.31Å; L799-R801 PolarHBondContact O-N 3.09Å; R801-Q804 WeakPolarHBondContact O-CG 3.42Å |
| 802 | E | 86.4 | Confident | 88.2 | Confident | 31 Ų | 31 | 41.8 Ų | 41.8 | 15% | 0.145 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -73.6 | -41.9 | 175.8 | -169.8 | 69.7 | -147.6 | 0 | 0 | 111.7 | S798 L799 H800 Q805 K927 R931 | S798-E802 PolarHBondContact O-N 2.94Å; L799-E802 WeakPolarHBondContact O-CB 3.48Å; L799-E802 PolarHBondContact O-N 3.35Å; H800-E802 VanDerWaalsContact C-N 3.26Å; H800-E802 PolarHBondContact O-N 2.99Å; E802-Q805 VanDerWaalsContact O-CG 3.26Å; E802-Q805 WeakPolarHBondContact O-CG 3.42Å; E802-Q805 PolarHBondContact O-NE2 3.01Å; E802-Q805 PolarHBondContact OE1-NE2 3.05Å; E802-K927 HydrophobicContact CB-CD 4.4Å; E802-K927 HydrophobicContact CB-CG 3.93Å; E802-K927 HydrophobicContact CG-CG 3.79Å; E802-K927 WeakPolarHBondContact OE2-CE 3.37Å; E802-R931 VanDerWaalsContact CD-NE 3.3Å; E802-R931 IonicContact OE1-NE 3.04Å; E802-R931 PolarHBondContact OE1-NE 2.93Å; E802-R931 IonicContact OE1-NH2 3.43Å; E802-R931 IonicContact OE2-CZ 2.89Å; E802-R931 IonicContact OE2-NE 2.69Å; E802-R931 PolarHBondContact OE2-NE 3.26Å; E802-R931 IonicContact OE2-NH2 3.23Å; E802-R931 PolarHBondContact OE2-NH2 3.31Å |
| 803 | V | 91.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -86.7 | -23.1 | -173.6 | -58.6 | 0 | 0 | 0 | 0 | 113.5 | L799 H800 Q805 W806 A817 K818 V930 | L799-V803 HydrophobicContact CD1-CG1 3.91Å; L799-V803 HydrophobicContact CG-CG1 4.44Å; L799-V803 WeakPolarHBondContact O-CG2 3.36Å; L799-V803 PolarHBondContact O-N 2.95Å; H800-V803 PolarHBondContact O-N 3.26Å; V803-Q805 PolarHBondContact O-N 3.43Å; V803-W806 PolarHBondContact O-N 3.38Å; V803-W806 VanDerWaalsContact O-N 3.11Å; V803-A817 HydrophobicContact CG1-CB 3.71Å; V803-K818 HydrophobicContact CB-CG 4.04Å; V803-K818 HydrophobicContact CG2-CB 4.37Å; V803-K818 HydrophobicContact CG2-CG 3.5Å; V803-K818 VanDerWaalsContact CG2-CG 3.5Å; V803-K818 WeakPolarHBondContact O-CE 3.36Å; V803-V930 HydrophobicContact CG1-CG2 4.32Å |
| 804 | Q | 87.8 | Confident | 88.3 | Confident | 65 Ų | 65 | 41.5 Ų | 41.5 | 30% | 0.304 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -28.1 | -179.9 | 68.5 | 175.1 | -21.6 | 0 | 0 | 112.8 | H800 R801 W806 | H800-Q804 VanDerWaalsContact O-CB 3.25Å; H800-Q804 WeakPolarHBondContact O-CB 3.44Å; H800-Q804 WeakPolarHBondContact O-CG 3.48Å; H800-Q804 PolarHBondContact O-N 3.47Å; R801-Q804 WeakPolarHBondContact O-CG 3.42Å; Q804-W806 PolarHBondContact O-N 2.94Å |
| 805 | Q | 85 | Confident | 88.5 | Confident | 45 Ų | 45 | 39.4 Ų | 39.4 | 21% | 0.21 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -15 | 179.1 | 76.5 | -167.6 | -43.1 | 0 | 0 | 111.9 | E802 V803 R952 K953 | E802-Q805 VanDerWaalsContact O-CG 3.26Å; E802-Q805 WeakPolarHBondContact O-CG 3.42Å; E802-Q805 PolarHBondContact O-NE2 3.01Å; E802-Q805 PolarHBondContact OE1-NE2 3.05Å; V803-Q805 PolarHBondContact O-N 3.43Å; Q805-R952 CarbonylContact O-C 3.57Å; Q805-R952 VanDerWaalsContact O-CA 3.25Å; Q805-R952 WeakPolarHBondContact O-CA 3.24Å; Q805-K953 PolarHBondContact O-N 2.96Å |
| 806 | W | 87.9 | Confident | 88.8 | Confident | 9 Ų | 9 | 38.9 Ų | 38.9 | 3% | 0.034 | 18% | 0.182 | C | C | . | . | B | Isolated β-bridge | trans | -106.6 | 140.7 | -177.3 | -56.1 | 110.8 | 0 | 0 | 0 | 111.6 | V803 Q804 V814 K818 E934 W950 R952 K953 | V803-W806 PolarHBondContact O-N 3.38Å; V803-W806 VanDerWaalsContact O-N 3.11Å; Q804-W806 PolarHBondContact O-N 2.94Å; W806-V814 HydrophobicContact CB-CG1 3.88Å; W806-V814 HydrophobicContact CB-CG2 3.87Å; W806-V814 HydrophobicContact CG-CG2 4.35Å; W806-K818 PolarHBondContact O-NZ 3Å; W806-E934 HydrophobicContact CH2-CG 3.83Å; W806-E934 WeakPolarHBondContact CH2-OE1 3.25Å; W806-E934 HydrophobicContact CZ2-CG 3.94Å; W806-W950 AromaticContact CD2-CE3 3.78Å; W806-W950 HydrophobicContact CD2-CE3 3.78Å; W806-W950 HydrophobicContact CD2-CZ3 4.2Å; W806-W950 AromaticContact CE2-CE3 3.98Å; W806-W950 HydrophobicContact CE3-CB 4.3Å; W806-W950 AromaticContact CE3-CE3 3.87Å; W806-W950 HydrophobicContact CE3-CE3 3.87Å; W806-W950 HydrophobicContact CG-CE3 4.23Å; W806-W950 HydrophobicContact CG-CZ3 4.29Å; W806-W950 HydrophobicContact CH2-CE3 4.32Å; W806-W950 HydrophobicContact CZ2-CE3 4.26Å; W806-W950 HydrophobicContact CZ3-CB 3.94Å; W806-W950 HydrophobicContact CZ3-CE3 4.14Å; W806-R952 HydrophobicContact CE3-CG 4.04Å; W806-R952 HydrophobicContact CH2-CG 4.14Å; W806-R952 HydrophobicContact CZ3-CG 3.69Å; W806-K953 WeakPolarHBondContact O-CE 3.06Å |
| 807 | S | 85.4 | Confident | 88.9 | Confident | 26 Ų | 26 | 38.9 Ų | 38.9 | 18% | 0.182 | 18% | 0.182 | C | C | . | . | trans | -67.9 | 133.4 | 166.7 | 176.6 | 0 | 0 | 0 | 0 | 110.1 | R809 V951 | S807-R809 VanDerWaalsContact C-N 3.3Å; S807-R809 WeakPolarHBondContact OG-CB 3.43Å; S807-R809 PolarHBondContact OG-N 3.29Å; S807-V951 PolarHBondContact N-O 3.3Å | ||
| 808 | S | 84.5 | Confident | 89.1 | Confident | 26 Ų | 26 | 38.4 Ų | 38.4 | 18% | 0.182 | 18% | 0.18 | C | C | . | . | trans | -78.4 | -16.6 | 170.4 | 50 | 0 | 0 | 0 | 0 | 112.8 | E773 E810 N811 | E773-S808 PolarHBondContact OE1-N 3.12Å; E773-S808 PolarHBondContact OE1-OG 3.36Å; S808-E810 PolarHBondContact O-N 3.33Å; S808-N811 CarbonylContact O-C 3.59Å; S808-N811 PolarHBondContact O-N 3.02Å | ||
| 809 | R | 79.7 | Confident | 89.4 | Confident | 136 Ų | 136 | 41.5 Ų | 41.5 | 51% | 0.513 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 122.3 | 176.2 | -176.8 | 179.3 | 169 | 160.4 | 8.8 | 110.9 | S807 N811 | S807-R809 VanDerWaalsContact C-N 3.3Å; S807-R809 WeakPolarHBondContact OG-CB 3.43Å; S807-R809 PolarHBondContact OG-N 3.29Å; R809-N811 PolarHBondContact O-N 3.23Å |
| 810 | E | 80.6 | Confident | 89.7 | Confident | 89 Ų | 89 | 41.4 Ų | 41.4 | 42% | 0.416 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 29.7 | -177.1 | -59.5 | 161.4 | -136.7 | 0 | 0 | 112.8 | S808 L948 R949 | S808-E810 PolarHBondContact O-N 3.33Å; E810-L948 WeakPolarHBondContact O-CA 3.47Å; E810-R949 HydrophobicContact CB-CB 3.92Å; E810-R949 PolarHBondContact O-N 3.43Å; E810-R949 IonicContact OE1-NH1 2.67Å |
| 811 | N | 88.7 | Confident | 89.8 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | trans | -144.7 | 86.9 | 175 | -167.6 | -27.4 | 0 | 0 | 0 | 111.1 | S808 R809 I813 V814 A815 | S808-N811 CarbonylContact O-C 3.59Å; S808-N811 PolarHBondContact O-N 3.02Å; R809-N811 PolarHBondContact O-N 3.23Å; N811-I813 VanDerWaalsContact C-N 3.26Å; N811-I813 PolarHBondContact O-N 2.92Å; N811-I813 PolarHBondContact OD1-N 3.2Å; N811-V814 HydrophobicContact CB-CB 4.2Å; N811-V814 HydrophobicContact CB-CG2 4.33Å; N811-V814 VanDerWaalsContact CG-CG2 3.48Å; N811-V814 WeakPolarHBondContact ND2-CG2 3.39Å; N811-V814 PolarHBondContact O-N 3.32Å; N811-V814 PolarHBondContact OD1-N 2.83Å; N811-V814 VanDerWaalsContact OD1-N 3.1Å; N811-A815 PolarHBondContact O-N 2.9Å | ||
| 812 | E | 91.9 | Very high | 90.2 | Very high | 113 Ų | 113 | 33 Ų | 33 | 53% | 0.528 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -65.6 | -27.5 | -177.6 | -63.2 | -177.6 | 142.8 | 0 | 0 | 112.8 | A815 A816 L858 | E812-A815 PolarHBondContact O-N 2.91Å; E812-A816 WeakPolarHBondContact O-CB 3.26Å; E812-A816 PolarHBondContact O-N 3.31Å; E812-L858 HydrophobicContact CB-CD1 3.46Å; E812-L858 VanDerWaalsContact CB-CD1 3.46Å; E812-L858 HydrophobicContact CB-CD2 4.32Å; E812-L858 WeakPolarHBondContact OE2-CD2 3.3Å |
| 813 | I | 93.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.7 | -49.6 | 174.8 | -60.9 | 177.2 | 0 | 0 | 0 | 109.6 | N811 A815 A816 A817 L858 L862 V930 A933 L948 | N811-I813 VanDerWaalsContact C-N 3.26Å; N811-I813 PolarHBondContact O-N 2.92Å; N811-I813 PolarHBondContact OD1-N 3.2Å; I813-A815 VanDerWaalsContact C-N 3.33Å; I813-A815 PolarHBondContact O-N 2.77Å; I813-A816 PolarHBondContact O-N 2.87Å; I813-A817 WeakPolarHBondContact O-CB 3.39Å; I813-A817 PolarHBondContact O-N 3.13Å; I813-L858 HydrophobicContact CD1-CB 4.13Å; I813-L858 HydrophobicContact CG1-CB 3.55Å; I813-L858 HydrophobicContact CG1-CD1 4Å; I813-L858 HydrophobicContact CG1-CG 4.41Å; I813-L862 HydrophobicContact CD1-CD2 4.28Å; I813-V930 HydrophobicContact CG2-CG2 4.15Å; I813-A933 HydrophobicContact CD1-CB 3.95Å; I813-L948 HydrophobicContact CD1-CD1 3.86Å |
| 814 | V | 92.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.3 | -39.8 | 177.1 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | W806 N811 A817 K818 W950 | W806-V814 HydrophobicContact CB-CG1 3.88Å; W806-V814 HydrophobicContact CB-CG2 3.87Å; W806-V814 HydrophobicContact CG-CG2 4.35Å; N811-V814 HydrophobicContact CB-CB 4.2Å; N811-V814 HydrophobicContact CB-CG2 4.33Å; N811-V814 VanDerWaalsContact CG-CG2 3.48Å; N811-V814 WeakPolarHBondContact ND2-CG2 3.39Å; N811-V814 PolarHBondContact O-N 3.32Å; N811-V814 PolarHBondContact OD1-N 2.83Å; N811-V814 VanDerWaalsContact OD1-N 3.1Å; V814-A817 PolarHBondContact O-N 3.49Å; V814-K818 HydrophobicContact CG1-CD 4.24Å; V814-K818 HydrophobicContact CG1-CG 4.47Å; V814-K818 WeakPolarHBondContact O-CB 3.29Å; V814-K818 WeakPolarHBondContact O-CG 3.49Å; V814-K818 PolarHBondContact O-N 3.4Å; V814-W950 HydrophobicContact CG2-CE3 4.43Å; V814-W950 HydrophobicContact CG2-CH2 4.16Å; V814-W950 HydrophobicContact CG2-CZ3 3.81Å |
| 815 | A | 92 | Very high | 91.2 | Very high | 18 Ų | 18 | 29.8 Ų | 29.8 | 15% | 0.149 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.3 | -47.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | N811 E812 I813 K818 R819 | N811-A815 PolarHBondContact O-N 2.9Å; E812-A815 PolarHBondContact O-N 2.91Å; I813-A815 VanDerWaalsContact C-N 3.33Å; I813-A815 PolarHBondContact O-N 2.77Å; A815-K818 PolarHBondContact O-N 3.16Å; A815-R819 WeakPolarHBondContact O-CG 3.44Å; A815-R819 PolarHBondContact O-N 3.04Å |
| 816 | A | 94.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.7 | -45.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E812 I813 K818 R819 M820 E854 V855 | E812-A816 WeakPolarHBondContact O-CB 3.26Å; E812-A816 PolarHBondContact O-N 3.31Å; I813-A816 PolarHBondContact O-N 2.87Å; A816-K818 VanDerWaalsContact C-N 3.34Å; A816-K818 PolarHBondContact O-N 2.97Å; A816-R819 WeakPolarHBondContact O-CB 3.49Å; A816-R819 PolarHBondContact O-N 3.5Å; A816-R819 VanDerWaalsContact O-N 3.15Å; A816-M820 WeakPolarHBondContact O-CG 3.21Å; A816-M820 PolarHBondContact O-N 3.45Å; A816-E854 HydrophobicContact CB-CG 4.31Å; A816-V855 HydrophobicContact CB-CG2 3.57Å |
| 817 | A | 95.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.3 | -35.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | V803 I813 V814 M820 A821 V926 V930 | V803-A817 HydrophobicContact CG1-CB 3.71Å; I813-A817 WeakPolarHBondContact O-CB 3.39Å; I813-A817 PolarHBondContact O-N 3.13Å; V814-A817 PolarHBondContact O-N 3.49Å; A817-M820 PolarHBondContact O-N 2.66Å; A817-A821 PolarHBondContact O-N 2.85Å; A817-V926 HydrophobicContact CB-CG1 3.87Å; A817-V930 HydrophobicContact CB-CG2 3.89Å |
| 818 | K | 94.2 | Very high | 92.3 | Very high | 7 Ų | 7 | 32 Ų | 32 | 3% | 0.03 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.8 | -44.5 | 170.7 | -78.3 | 178.3 | -178.3 | 178.6 | 0 | 112.1 | E773 M776 V803 W806 V814 A815 A816 M820 A821 I822 | E773-K818 IonicContact OE1-NZ 3.76Å; E773-K818 PolarHBondContact OE1-NZ 3.04Å; E773-K818 IonicContact OE2-NZ 3.84Å; E773-K818 PolarHBondContact OE2-NZ 3.3Å; M776-K818 HydrophobicContact CE-CB 4.31Å; M776-K818 HydrophobicContact SD-CB 3.76Å; M776-K818 HydrophobicContact SD-CD 3.85Å; M776-K818 HydrophobicContact SD-CG 4.35Å; V803-K818 HydrophobicContact CB-CG 4.04Å; V803-K818 HydrophobicContact CG2-CB 4.37Å; V803-K818 HydrophobicContact CG2-CG 3.5Å; V803-K818 VanDerWaalsContact CG2-CG 3.5Å; V803-K818 WeakPolarHBondContact O-CE 3.36Å; W806-K818 PolarHBondContact O-NZ 3Å; V814-K818 HydrophobicContact CG1-CD 4.24Å; V814-K818 HydrophobicContact CG1-CG 4.47Å; V814-K818 WeakPolarHBondContact O-CB 3.29Å; V814-K818 WeakPolarHBondContact O-CG 3.49Å; V814-K818 PolarHBondContact O-N 3.4Å; A815-K818 PolarHBondContact O-N 3.16Å; A816-K818 VanDerWaalsContact C-N 3.34Å; A816-K818 PolarHBondContact O-N 2.97Å; K818-M820 VanDerWaalsContact C-N 3.34Å; K818-M820 PolarHBondContact O-N 2.83Å; K818-A821 PolarHBondContact O-N 3.03Å; K818-I822 PolarHBondContact O-N 3.37Å |
| 819 | R | 94.7 | Very high | 92.6 | Very high | 109 Ų | 109 | 33.9 Ų | 33.9 | 41% | 0.411 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -60.3 | -43.8 | 174.5 | -69.2 | -169.6 | -56.5 | -92.1 | 3.9 | 111.3 | M776 A815 A816 A821 I822 L823 | M776-R819 HydrophobicContact CE-CG 4.29Å; A815-R819 WeakPolarHBondContact O-CG 3.44Å; A815-R819 PolarHBondContact O-N 3.04Å; A816-R819 WeakPolarHBondContact O-CB 3.49Å; A816-R819 PolarHBondContact O-N 3.5Å; A816-R819 VanDerWaalsContact O-N 3.15Å; R819-A821 VanDerWaalsContact C-N 3.34Å; R819-A821 PolarHBondContact O-N 3.05Å; R819-I822 PolarHBondContact O-N 2.86Å; R819-L823 WeakPolarHBondContact O-CB 3.39Å; R819-L823 WeakPolarHBondContact O-CG 3.36Å; R819-L823 PolarHBondContact O-N 2.96Å |
| 820 | M | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.8 | -43 | 176.2 | -69.8 | -177.4 | 75 | 0 | 0 | 112.3 | L799 A816 A817 K818 I822 L823 M824 I848 A851 S852 V855 L922 M923 V926 | L799-M820 HydrophobicContact CD2-CB 4.21Å; A816-M820 WeakPolarHBondContact O-CG 3.21Å; A816-M820 PolarHBondContact O-N 3.45Å; A817-M820 PolarHBondContact O-N 2.66Å; K818-M820 VanDerWaalsContact C-N 3.34Å; K818-M820 PolarHBondContact O-N 2.83Å; M820-I822 VanDerWaalsContact C-N 3.33Å; M820-I822 PolarHBondContact O-N 3.06Å; M820-L823 PolarHBondContact O-N 3.4Å; M820-M824 VanDerWaalsContact O-CB 3.29Å; M820-M824 WeakPolarHBondContact O-CB 3Å; M820-M824 PolarHBondContact O-N 3.34Å; M820-I848 HydrophobicContact CE-CG2 4.17Å; M820-A851 HydrophobicContact CG-CB 3.6Å; M820-S852 VanDerWaalsContact CE-CB 3.43Å; M820-V855 HydrophobicContact SD-CG2 3.87Å; M820-L922 HydrophobicContact CE-CD1 4.29Å; M820-L922 HydrophobicContact CE-CD2 4.1Å; M820-L922 HydrophobicContact CE-CG 4.08Å; M820-M923 HydrophobicContact CB-CE 4.41Å; M820-M923 HydrophobicContact CE-CE 3.9Å; M820-V926 HydrophobicContact CE-CG2 3.5Å; M820-V926 VanDerWaalsContact CE-CG2 3.5Å; M820-V926 HydrophobicContact SD-CG1 4.08Å; M820-V926 HydrophobicContact SD-CG2 3.78Å |
| 821 | A | 95.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.6 | -40.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | W780 L799 H800 A817 K818 R819 A825 | W780-A821 HydrophobicContact CZ2-CB 3.9Å; L799-A821 HydrophobicContact CB-CB 4.35Å; L799-A821 HydrophobicContact CD2-CB 4.13Å; L799-A821 HydrophobicContact CG-CB 4.18Å; H800-A821 HydrophobicContact CB-CB 4.11Å; A817-A821 PolarHBondContact O-N 2.85Å; K818-A821 PolarHBondContact O-N 3.03Å; R819-A821 VanDerWaalsContact C-N 3.34Å; R819-A821 PolarHBondContact O-N 3.05Å; A821-A825 PolarHBondContact O-N 3.34Å |
| 822 | I | 94.9 | Very high | 93.5 | Very high | 18 Ų | 18 | 26.8 Ų | 26.8 | 9% | 0.092 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67 | -46.9 | 176.6 | -68.8 | 171.8 | 0 | 0 | 0 | 111 | M776 F779 W780 K818 R819 M820 M824 A825 R826 | M776-I822 HydrophobicContact CB-CD1 3.99Å; M776-I822 HydrophobicContact CG-CD1 3.51Å; M776-I822 HydrophobicContact SD-CD1 4.22Å; F779-I822 HydrophobicContact CD1-CB 4.36Å; F779-I822 HydrophobicContact CD1-CD1 4.45Å; F779-I822 HydrophobicContact CD1-CG1 3.84Å; F779-I822 HydrophobicContact CD1-CG2 4Å; F779-I822 HydrophobicContact CD2-CG2 4.28Å; F779-I822 HydrophobicContact CE1-CB 4.13Å; F779-I822 HydrophobicContact CE1-CG1 4.03Å; F779-I822 HydrophobicContact CE1-CG2 3.79Å; F779-I822 HydrophobicContact CE2-CG2 4.1Å; F779-I822 HydrophobicContact CG-CG2 4.23Å; F779-I822 HydrophobicContact CZ-CG2 3.85Å; W780-I822 HydrophobicContact CZ2-CG1 4.34Å; K818-I822 PolarHBondContact O-N 3.37Å; R819-I822 PolarHBondContact O-N 2.86Å; M820-I822 VanDerWaalsContact C-N 3.33Å; M820-I822 PolarHBondContact O-N 3.06Å; I822-M824 VanDerWaalsContact C-N 3.31Å; I822-M824 PolarHBondContact O-N 3.1Å; I822-A825 WeakPolarHBondContact O-CB 3.32Å; I822-A825 PolarHBondContact O-N 3.17Å; I822-R826 WeakPolarHBondContact O-CG 3.45Å; I822-R826 PolarHBondContact O-N 3.45Å |
| 823 | L | 96.4 | Very high | 93 | Very high | 28 Ų | 28 | 23.4 Ų | 23.4 | 15% | 0.147 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.6 | -39.2 | 178 | -69.1 | 168.8 | 0 | 0 | 0 | 111.2 | R819 M820 A825 R826 L827 C844 A847 I848 | R819-L823 WeakPolarHBondContact O-CB 3.39Å; R819-L823 WeakPolarHBondContact O-CG 3.36Å; R819-L823 PolarHBondContact O-N 2.96Å; M820-L823 PolarHBondContact O-N 3.4Å; L823-A825 PolarHBondContact O-N 2.89Å; L823-R826 CarbonylContact O-C 3.47Å; L823-R826 WeakPolarHBondContact O-CB 3.32Å; L823-R826 PolarHBondContact O-N 2.89Å; L823-L827 WeakPolarHBondContact O-CB 3.37Å; L823-L827 PolarHBondContact O-N 3.27Å; L823-C844 PolarHBondContact O-SG 3.34Å; L823-A847 HydrophobicContact CD1-CB 3.86Å; L823-A847 HydrophobicContact CD2-CB 4.05Å; L823-I848 HydrophobicContact CB-CD1 4.13Å; L823-I848 HydrophobicContact CB-CG1 3.45Å; L823-I848 VanDerWaalsContact CB-CG1 3.45Å; L823-I848 HydrophobicContact CD1-CG1 4.23Å; L823-I848 HydrophobicContact CG-CG1 4.44Å |
| 824 | M | 96.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.8 | -36 | 175.9 | -169.2 | 58.5 | 75.4 | 0 | 0 | 112.3 | I792 A796 M820 I822 R826 L827 S828 I848 L889 A919 L922 M923 | I792-M824 HydrophobicContact CG2-CG 3.96Å; I792-M824 HydrophobicContact CG2-SD 3.59Å; I792-M824 VanDerWaalsContact CG2-SD 3.59Å; A796-M824 HydrophobicContact CB-CB 3.93Å; A796-M824 HydrophobicContact CB-CG 3.98Å; M820-M824 VanDerWaalsContact O-CB 3.29Å; M820-M824 WeakPolarHBondContact O-CB 3Å; M820-M824 PolarHBondContact O-N 3.34Å; I822-M824 VanDerWaalsContact C-N 3.31Å; I822-M824 PolarHBondContact O-N 3.1Å; M824-R826 VanDerWaalsContact C-N 3.35Å; M824-L827 HydrophobicContact CE-CD2 4.34Å; M824-L827 WeakPolarHBondContact O-CB 3.4Å; M824-L827 PolarHBondContact O-N 3.46Å; M824-L827 HydrophobicContact SD-CB 4.23Å; M824-L827 HydrophobicContact SD-CD2 3.55Å; M824-L827 VanDerWaalsContact SD-CD2 3.55Å; M824-S828 PolarHBondContact O-N 3.47Å; M824-I848 HydrophobicContact CE-CD1 4.12Å; M824-I848 HydrophobicContact CE-CG2 4.35Å; M824-I848 HydrophobicContact SD-CD1 4.36Å; M824-L889 HydrophobicContact CE-CD2 4.29Å; M824-A919 HydrophobicContact CE-CB 3.9Å; M824-A919 HydrophobicContact SD-CB 3.72Å; M824-L922 HydrophobicContact CE-CD2 4.2Å; M824-M923 HydrophobicContact CB-CE 4.36Å; M824-M923 HydrophobicContact CB-SD 3.74Å; M824-M923 HydrophobicContact CE-CE 3.55Å; M824-M923 HydrophobicContact CE-CG 4.23Å; M824-M923 HydrophobicContact CE-SD 4.15Å; M824-M923 HydrophobicContact CG-CE 4.42Å; M824-M923 HydrophobicContact CG-CG 3.93Å; M824-M923 HydrophobicContact CG-SD 3.78Å |
| 825 | A | 94.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.6 | -39 | 172 | 0 | 0 | 0 | 0 | 0 | 111.9 | F779 W780 L793 A796 A821 I822 L823 S828 Q829 | F779-A825 HydrophobicContact CE1-CB 3.92Å; F779-A825 HydrophobicContact CZ-CB 3.98Å; W780-A825 HydrophobicContact CH2-CB 4.03Å; W780-A825 HydrophobicContact CZ3-CB 4.45Å; L793-A825 HydrophobicContact CD1-CB 3.92Å; A796-A825 HydrophobicContact CB-CB 4.05Å; A821-A825 PolarHBondContact O-N 3.34Å; I822-A825 WeakPolarHBondContact O-CB 3.32Å; I822-A825 PolarHBondContact O-N 3.17Å; L823-A825 PolarHBondContact O-N 2.89Å; A825-S828 WeakPolarHBondContact O-CB 3.47Å; A825-S828 PolarHBondContact O-N 2.66Å; A825-Q829 PolarHBondContact O-N 2.69Å |
| 826 | R | 94.1 | Very high | 91.3 | Very high | 123 Ų | 123 | 32.7 Ų | 32.7 | 46% | 0.464 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -65.8 | -43.9 | 172.1 | -68.6 | 179.3 | -175.7 | -176 | 0.5 | 111.6 | F779 I822 L823 M824 S828 Q829 L830 | F779-R826 HydrophobicContact CE2-CG 4.12Å; F779-R826 HydrophobicContact CZ-CG 4.09Å; I822-R826 WeakPolarHBondContact O-CG 3.45Å; I822-R826 PolarHBondContact O-N 3.45Å; L823-R826 CarbonylContact O-C 3.47Å; L823-R826 WeakPolarHBondContact O-CB 3.32Å; L823-R826 PolarHBondContact O-N 2.89Å; M824-R826 VanDerWaalsContact C-N 3.35Å; R826-S828 PolarHBondContact O-N 2.79Å; R826-Q829 WeakPolarHBondContact O-CB 3.36Å; R826-Q829 PolarHBondContact O-N 3.18Å; R826-L830 WeakPolarHBondContact O-CG 3.5Å; R826-L830 PolarHBondContact O-N 3.15Å |
| 827 | L | 94.6 | Very high | 91 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -53.6 | -44.6 | 174.7 | -166.1 | 81.4 | 0 | 0 | 0 | 110.3 | L823 M824 Q829 L830 V831 L841 C844 A845 I848 L889 | L823-L827 WeakPolarHBondContact O-CB 3.37Å; L823-L827 PolarHBondContact O-N 3.27Å; M824-L827 HydrophobicContact CE-CD2 4.34Å; M824-L827 WeakPolarHBondContact O-CB 3.4Å; M824-L827 PolarHBondContact O-N 3.46Å; M824-L827 HydrophobicContact SD-CB 4.23Å; M824-L827 HydrophobicContact SD-CD2 3.55Å; M824-L827 VanDerWaalsContact SD-CD2 3.55Å; L827-Q829 PolarHBondContact O-N 3.09Å; L827-L830 PolarHBondContact O-N 3.28Å; L827-V831 HydrophobicContact CG-CG1 4.24Å; L827-V831 WeakPolarHBondContact O-CG1 3.49Å; L827-V831 WeakPolarHBondContact O-CG2 3.44Å; L827-V831 PolarHBondContact O-N 3.17Å; L827-L841 HydrophobicContact CD1-CD1 3.56Å; L827-L841 HydrophobicContact CG-CD1 4.34Å; L827-C844 HydrophobicContact CD1-CB 4.33Å; L827-A845 HydrophobicContact CD1-CB 4.37Å; L827-I848 HydrophobicContact CB-CD1 4.05Å; L827-I848 HydrophobicContact CD1-CD1 4.21Å; L827-I848 HydrophobicContact CD2-CD1 4.05Å; L827-I848 HydrophobicContact CG-CD1 4.34Å; L827-L889 HydrophobicContact CD2-CD1 4.05Å |
| 828 | S | 92.7 | Very high | 90.7 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.9 | -28.6 | 176.9 | -175.9 | 0 | 0 | 0 | 0 | 114.4 | M824 A825 R826 V831 R832 | M824-S828 PolarHBondContact O-N 3.47Å; A825-S828 WeakPolarHBondContact O-CB 3.47Å; A825-S828 PolarHBondContact O-N 2.66Å; R826-S828 PolarHBondContact O-N 2.79Å; S828-V831 WeakPolarHBondContact O-CG2 3.14Å; S828-R832 PolarHBondContact OG-NH1 2.86Å |
| 829 | Q | 91.3 | Very high | 90.5 | Very high | 66 Ų | 66 | 38.6 Ų | 38.6 | 31% | 0.308 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -80.4 | -48.1 | 175.8 | -64.7 | 174.5 | -9 | 0 | 0 | 109.9 | A825 R826 L827 V831 R832 G833 E834 | A825-Q829 PolarHBondContact O-N 2.69Å; R826-Q829 WeakPolarHBondContact O-CB 3.36Å; R826-Q829 PolarHBondContact O-N 3.18Å; L827-Q829 PolarHBondContact O-N 3.09Å; Q829-V831 PolarHBondContact O-N 3.29Å; Q829-R832 PolarHBondContact O-N 3.5Å; Q829-G833 PolarHBondContact O-N 3.09Å; Q829-E834 CarbonylContact C-O 3.46Å; Q829-E834 HydrophobicContact CB-CB 4.37Å; Q829-E834 PolarHBondContact O-N 2.79Å |
| 830 | L | 92.3 | Very high | 90.4 | Very high | 17 Ų | 17 | 36.9 Ų | 36.9 | 9% | 0.089 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.3 | -39.4 | -177.8 | -65.9 | 169.1 | 0 | 0 | 0 | 113 | R826 L827 R832 G833 D840 L841 C844 | R826-L830 WeakPolarHBondContact O-CG 3.5Å; R826-L830 PolarHBondContact O-N 3.15Å; L827-L830 PolarHBondContact O-N 3.28Å; L830-R832 PolarHBondContact O-N 3.07Å; L830-G833 PolarHBondContact O-N 3.41Å; L830-D840 HydrophobicContact CD1-CB 4.34Å; L830-D840 HydrophobicContact CD2-CB 3.8Å; L830-L841 HydrophobicContact CB-CB 4.21Å; L830-L841 HydrophobicContact CB-CD1 3.95Å; L830-C844 HydrophobicContact CD1-CB 3.62Å |
| 831 | V | 90.2 | Very high | 90.3 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -19.4 | 178.2 | -63.1 | 0 | 0 | 0 | 0 | 113.7 | I792 L827 S828 Q829 L841 K896 M912 L915 | I792-V831 HydrophobicContact CD1-CG2 4.02Å; L827-V831 HydrophobicContact CG-CG1 4.24Å; L827-V831 WeakPolarHBondContact O-CG1 3.49Å; L827-V831 WeakPolarHBondContact O-CG2 3.44Å; L827-V831 PolarHBondContact O-N 3.17Å; S828-V831 WeakPolarHBondContact O-CG2 3.14Å; Q829-V831 PolarHBondContact O-N 3.29Å; V831-L841 HydrophobicContact CG1-CD1 3.68Å; V831-K896 HydrophobicContact CB-CG 4.48Å; V831-K896 HydrophobicContact CG1-CG 4.45Å; V831-K896 VanDerWaalsContact O-CE 3.22Å; V831-K896 WeakPolarHBondContact O-CE 3.48Å; V831-M912 HydrophobicContact CB-CE 4.2Å; V831-M912 HydrophobicContact CB-SD 4.17Å; V831-M912 HydrophobicContact CG2-CE 3.72Å; V831-M912 HydrophobicContact CG2-SD 4.12Å; V831-L915 HydrophobicContact CB-CD2 4.36Å; V831-L915 HydrophobicContact CG1-CD2 3.42Å; V831-L915 VanDerWaalsContact CG1-CD2 3.42Å |
| 832 | R | 85.4 | Confident | 90.1 | Very high | 58 Ų | 58 | 37 Ų | 37 | 22% | 0.219 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 0.1 | 173.8 | -62.8 | -168.1 | -63 | -112.2 | -2.4 | 112.5 | Q790 S828 Q829 L830 E834 Q903 M912 | Q790-R832 VanDerWaalsContact CG-NH1 3.29Å; Q790-R832 VanDerWaalsContact NE2-NH1 3.12Å; S828-R832 PolarHBondContact OG-NH1 2.86Å; Q829-R832 PolarHBondContact O-N 3.5Å; L830-R832 PolarHBondContact O-N 3.07Å; R832-E834 VanDerWaalsContact C-N 3.25Å; R832-E834 HydrophobicContact CB-CG 4.07Å; R832-E834 IonicContact CZ-OE2 2.59Å; R832-E834 VanDerWaalsContact CZ-OE2 3.32Å; R832-E834 IonicContact NE-OE1 2.75Å; R832-E834 IonicContact NE-OE2 3.28Å; R832-E834 PolarHBondContact NE-OE2 3.49Å; R832-E834 IonicContact NH2-OE2 2.7Å; R832-E834 PolarHBondContact NH2-OE2 3.09Å; R832-Q903 PolarHBondContact O-NE2 3.35Å; R832-M912 HydrophobicContact CG-CE 4.21Å |
| 833 | G | 81.5 | Confident | 90.1 | Very high | 42 Ų | 42 | 39.1 Ų | 39.1 | 43% | 0.433 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 16.1 | -172 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q829 L830 | Q829-G833 PolarHBondContact O-N 3.09Å; L830-G833 PolarHBondContact O-N 3.41Å |
| 834 | E | 83.4 | Confident | 90.1 | Very high | 97 Ų | 97 | 38.3 Ų | 38.3 | 45% | 0.453 | 22% | 0.222 | S | C | . | . | trans | -92.3 | 118.5 | 179.7 | -63.9 | 171.9 | 169.9 | 0 | 0 | 109.9 | Q829 R832 G836 | Q829-E834 CarbonylContact C-O 3.46Å; Q829-E834 HydrophobicContact CB-CB 4.37Å; Q829-E834 PolarHBondContact O-N 2.79Å; R832-E834 VanDerWaalsContact C-N 3.25Å; R832-E834 HydrophobicContact CB-CG 4.07Å; R832-E834 IonicContact CZ-OE2 2.59Å; R832-E834 VanDerWaalsContact CZ-OE2 3.32Å; R832-E834 IonicContact NE-OE1 2.75Å; R832-E834 IonicContact NE-OE2 3.28Å; R832-E834 PolarHBondContact NE-OE2 3.49Å; R832-E834 IonicContact NH2-OE2 2.7Å; R832-E834 PolarHBondContact NH2-OE2 3.09Å; E834-G836 PolarHBondContact O-N 3.46Å | ||
| 835 | G | 73.7 | Confident | 90.1 | Very high | 86 Ų | 86 | 38.4 Ų | 38.4 | 89% | 0.887 | 22% | 0.223 | S | C | * | . | S | Bend | trans | 79.1 | 15.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 836 | G | 84 | Confident | 90.1 | Very high | 30 Ų | 30 | 41.9 Ų | 41.9 | 31% | 0.309 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -173.1 | 177.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | E834 D840 | E834-G836 PolarHBondContact O-N 3.46Å; G836-D840 WeakPolarHBondContact CA-OD2 3.46Å |
| 837 | T | 88 | Confident | 90.2 | Very high | 45 Ų | 45 | 37.6 Ų | 37.6 | 28% | 0.276 | 23% | 0.229 | S | C | . | . | trans | -94.2 | 173.1 | -174.1 | 59.8 | 0 | 0 | 0 | 0 | 112.8 | E28 K839 D840 L841 | E28-T837 HydrophobicContact CG-CG2 4.42Å; E28-T837 WeakPolarHBondContact OE1-CB 3.16Å; T837-K839 PolarHBondContact O-N 2.99Å; T837-K839 PolarHBondContact OG1-N 3.29Å; T837-D840 WeakPolarHBondContact CB-OD2 3.49Å; T837-D840 PolarHBondContact N-OD2 3.2Å; T837-D840 PolarHBondContact O-N 2.75Å; T837-D840 PolarHBondContact OG1-N 2.86Å; T837-D840 VanDerWaalsContact OG1-N 3.09Å; T837-D840 PolarHBondContact OG1-OD2 2.78Å; T837-L841 PolarHBondContact O-N 2.92Å; T837-L841 VanDerWaalsContact O-N 3.15Å | ||
| 838 | K | 89.4 | Confident | 90.3 | Very high | 23 Ų | 23 | 37.6 Ų | 37.6 | 10% | 0.1 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.4 | -35 | 170.8 | -56.6 | -176.7 | -159.5 | 93.8 | 0 | 111.4 | V24 H27 E28 E31 I842 A897 L900 | V24-K838 HydrophobicContact CG1-CB 3.83Å; V24-K838 HydrophobicContact CG1-CD 4.16Å; H27-K838 PolarHBondContact CD2-NZ 3.26Å; H27-K838 VanDerWaalsContact CD2-NZ 3.32Å; H27-K838 PolarHBondContact NE2-NZ 3.18Å; E28-K838 PolarHBondContact OE1-N 3.45Å; E28-K838 VanDerWaalsContact OE1-N 3.1Å; E28-K838 WeakPolarHBondContact OE2-CB 3.44Å; E28-K838 VanDerWaalsContact OE2-CD 3.28Å; E28-K838 WeakPolarHBondContact OE2-CD 3.16Å; E28-K838 VanDerWaalsContact OE2-CG 3.29Å; E28-K838 WeakPolarHBondContact OE2-CG 3.21Å; E28-K838 IonicContact OE2-NZ 2.92Å; E28-K838 PolarHBondContact OE2-NZ 3.38Å; E31-K838 IonicContact OE1-NZ 2.92Å; E31-K838 IonicContact OE2-NZ 2.7Å; E31-K838 PolarHBondContact OE2-NZ 3.21Å; K838-I842 WeakPolarHBondContact O-CG1 3.36Å; K838-I842 PolarHBondContact O-N 2.89Å; K838-A897 HydrophobicContact CB-CB 4.35Å; K838-A897 WeakPolarHBondContact CD-O 3.47Å; K838-L900 HydrophobicContact CB-CD1 4.5Å; K838-L900 HydrophobicContact CG-CB 4.35Å; K838-L900 HydrophobicContact CG-CD1 4.09Å |
| 839 | K | 90.7 | Very high | 90.5 | Very high | 64 Ų | 64 | 37.9 Ų | 37.9 | 28% | 0.278 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.3 | -46.8 | 175.5 | 177.4 | 175.4 | 179.8 | 165.7 | 0 | 111.5 | I25 E28 E29 T837 L841 I842 D843 | I25-K839 HydrophobicContact CG1-CG 4.45Å; I25-K839 HydrophobicContact CG2-CD 4.23Å; I25-K839 HydrophobicContact CG2-CG 4.44Å; E28-K839 HydrophobicContact CB-CB 4.36Å; E28-K839 HydrophobicContact CG-CB 4.25Å; E29-K839 IonicContact OE1-NZ 3.23Å; E29-K839 PolarHBondContact OE1-NZ 2.91Å; T837-K839 PolarHBondContact O-N 2.99Å; T837-K839 PolarHBondContact OG1-N 3.29Å; K839-L841 VanDerWaalsContact C-N 3.3Å; K839-L841 PolarHBondContact O-N 3.48Å; K839-I842 PolarHBondContact O-N 2.99Å; K839-D843 PolarHBondContact O-N 3.41Å |
| 840 | D | 93.1 | Very high | 90.7 | Very high | 72 Ų | 72 | 39.7 Ų | 39.7 | 39% | 0.385 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.8 | -38.4 | 178.4 | -63.7 | -48.7 | 0 | 0 | 0 | 112.1 | L830 G836 T837 D843 C844 | L830-D840 HydrophobicContact CD1-CB 4.34Å; L830-D840 HydrophobicContact CD2-CB 3.8Å; G836-D840 WeakPolarHBondContact CA-OD2 3.46Å; T837-D840 WeakPolarHBondContact CB-OD2 3.49Å; T837-D840 PolarHBondContact N-OD2 3.2Å; T837-D840 PolarHBondContact O-N 2.75Å; T837-D840 PolarHBondContact OG1-N 2.86Å; T837-D840 VanDerWaalsContact OG1-N 3.09Å; T837-D840 PolarHBondContact OG1-OD2 2.78Å; D840-D843 PolarHBondContact O-N 3.24Å; D840-C844 WeakPolarHBondContact O-CB 3.38Å; D840-C844 PolarHBondContact O-N 2.95Å |
| 841 | L | 93.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.7 | -47.2 | 175.2 | 176.4 | 58.4 | 0 | 0 | 0 | 111.9 | L827 L830 V831 T837 K839 C844 A845 K896 A897 L900 | L827-L841 HydrophobicContact CD1-CD1 3.56Å; L827-L841 HydrophobicContact CG-CD1 4.34Å; L830-L841 HydrophobicContact CB-CB 4.21Å; L830-L841 HydrophobicContact CB-CD1 3.95Å; V831-L841 HydrophobicContact CG1-CD1 3.68Å; T837-L841 PolarHBondContact O-N 2.92Å; T837-L841 VanDerWaalsContact O-N 3.15Å; K839-L841 VanDerWaalsContact C-N 3.3Å; K839-L841 PolarHBondContact O-N 3.48Å; L841-C844 PolarHBondContact O-N 3.09Å; L841-A845 PolarHBondContact O-N 2.89Å; L841-K896 HydrophobicContact CD2-CB 4.22Å; L841-K896 HydrophobicContact CD2-CG 4.1Å; L841-A897 HydrophobicContact CD2-CB 4.03Å; L841-L900 HydrophobicContact CD2-CD1 3.8Å; L841-L900 HydrophobicContact CD2-CG 4.43Å |
| 842 | I | 92.5 | Very high | 91.2 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.015 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.7 | -45.8 | 179.3 | -72.1 | 171.1 | 0 | 0 | 0 | 110.9 | S21 V24 I25 K838 K839 C844 A845 K846 A897 | S21-I842 WeakPolarHBondContact OG-CG2 3.42Å; V24-I842 HydrophobicContact CB-CD1 3.81Å; V24-I842 HydrophobicContact CG1-CD1 3.65Å; I25-I842 HydrophobicContact CD1-CG2 4.19Å; I25-I842 HydrophobicContact CG1-CD1 4.35Å; K838-I842 WeakPolarHBondContact O-CG1 3.36Å; K838-I842 PolarHBondContact O-N 2.89Å; K839-I842 PolarHBondContact O-N 2.99Å; I842-C844 VanDerWaalsContact C-N 3.33Å; I842-A845 PolarHBondContact O-N 3.5Å; I842-K846 HydrophobicContact CG2-CD 4.4Å; I842-K846 WeakPolarHBondContact O-CG 3.34Å; I842-K846 PolarHBondContact O-N 3.17Å; I842-A897 HydrophobicContact CD1-CB 3.98Å; I842-A897 HydrophobicContact CG1-CB 3.91Å |
| 843 | D | 94.5 | Very high | 91.7 | Very high | 63 Ų | 63 | 42.8 Ų | 42.8 | 34% | 0.337 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -70.3 | -32.9 | -178 | -70.1 | -19.7 | 0 | 0 | 0 | 111.5 | K839 D840 K846 A847 | K839-D843 PolarHBondContact O-N 3.41Å; D840-D843 PolarHBondContact O-N 3.24Å; D843-K846 PolarHBondContact O-N 3.21Å; D843-K846 IonicContact OD1-NZ 3.74Å; D843-K846 PolarHBondContact OD1-NZ 2.97Å; D843-A847 WeakPolarHBondContact O-CB 3.43Å; D843-A847 PolarHBondContact O-N 2.84Å |
| 844 | C | 96.4 | Very high | 92.4 | Very high | 11 Ų | 11 | 43.1 Ų | 43.1 | 7% | 0.074 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 170.5 | -173.9 | 0 | 0 | 0 | 0 | 111.8 | L823 L827 L830 D840 L841 I842 K846 A847 I848 | L823-C844 PolarHBondContact O-SG 3.34Å; L827-C844 HydrophobicContact CD1-CB 4.33Å; L830-C844 HydrophobicContact CD1-CB 3.62Å; D840-C844 WeakPolarHBondContact O-CB 3.38Å; D840-C844 PolarHBondContact O-N 2.95Å; L841-C844 PolarHBondContact O-N 3.09Å; I842-C844 VanDerWaalsContact C-N 3.33Å; C844-K846 PolarHBondContact O-N 3.49Å; C844-A847 PolarHBondContact O-N 3.2Å; C844-I848 WeakPolarHBondContact O-CG1 3.45Å; C844-I848 PolarHBondContact O-N 2.94Å |
| 845 | A | 95.9 | Very high | 93 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 2% | 0.017 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63 | -39.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L827 L841 I842 I848 A849 S893 | L827-A845 HydrophobicContact CD1-CB 4.37Å; L841-A845 PolarHBondContact O-N 2.89Å; I842-A845 PolarHBondContact O-N 3.5Å; A845-I848 PolarHBondContact O-N 3.16Å; A845-A849 PolarHBondContact O-N 3.23Å; A845-S893 VanDerWaalsContact CB-CB 3.46Å; A845-S893 WeakPolarHBondContact CB-OG 2.88Å |
| 846 | K | 94.8 | Very high | 94 | Very high | 72 Ų | 72 | 35.1 Ų | 35.1 | 31% | 0.313 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.5 | -46.3 | 172.7 | -70.2 | 172.8 | -169.3 | 156.7 | 0 | 111.7 | I842 D843 C844 I848 A849 D850 | I842-K846 HydrophobicContact CG2-CD 4.4Å; I842-K846 WeakPolarHBondContact O-CG 3.34Å; I842-K846 PolarHBondContact O-N 3.17Å; D843-K846 PolarHBondContact O-N 3.21Å; D843-K846 IonicContact OD1-NZ 3.74Å; D843-K846 PolarHBondContact OD1-NZ 2.97Å; C844-K846 PolarHBondContact O-N 3.49Å; K846-I848 VanDerWaalsContact C-N 3.28Å; K846-I848 PolarHBondContact O-N 3.44Å; K846-A849 WeakPolarHBondContact O-CA 3.42Å; K846-A849 WeakPolarHBondContact O-CB 3.37Å; K846-A849 PolarHBondContact O-N 2.97Å; K846-D850 VanDerWaalsContact O-CG 3.3Å; K846-D850 PolarHBondContact O-N 3.23Å |
| 847 | A | 96.8 | Very high | 94.6 | Very high | 34 Ų | 34 | 39.1 Ų | 39.1 | 28% | 0.281 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.2 | -34.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L823 D843 C844 A851 | L823-A847 HydrophobicContact CD1-CB 3.86Å; L823-A847 HydrophobicContact CD2-CB 4.05Å; D843-A847 WeakPolarHBondContact O-CB 3.43Å; D843-A847 PolarHBondContact O-N 2.84Å; C844-A847 PolarHBondContact O-N 3.2Å; A847-A851 WeakPolarHBondContact O-CB 3.28Å; A847-A851 PolarHBondContact O-N 3.14Å |
| 848 | I | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.5 | -45.4 | 172.2 | -66.7 | 167 | 0 | 0 | 0 | 110.1 | M820 L823 M824 L827 C844 A845 K846 A851 S852 L889 L922 | M820-I848 HydrophobicContact CE-CG2 4.17Å; L823-I848 HydrophobicContact CB-CD1 4.13Å; L823-I848 HydrophobicContact CB-CG1 3.45Å; L823-I848 VanDerWaalsContact CB-CG1 3.45Å; L823-I848 HydrophobicContact CD1-CG1 4.23Å; L823-I848 HydrophobicContact CG-CG1 4.44Å; M824-I848 HydrophobicContact CE-CD1 4.12Å; M824-I848 HydrophobicContact CE-CG2 4.35Å; M824-I848 HydrophobicContact SD-CD1 4.36Å; L827-I848 HydrophobicContact CB-CD1 4.05Å; L827-I848 HydrophobicContact CD1-CD1 4.21Å; L827-I848 HydrophobicContact CD2-CD1 4.05Å; L827-I848 HydrophobicContact CG-CD1 4.34Å; C844-I848 WeakPolarHBondContact O-CG1 3.45Å; C844-I848 PolarHBondContact O-N 2.94Å; A845-I848 PolarHBondContact O-N 3.16Å; K846-I848 VanDerWaalsContact C-N 3.28Å; K846-I848 PolarHBondContact O-N 3.44Å; I848-A851 PolarHBondContact O-N 2.92Å; I848-S852 VanDerWaalsContact O-CB 3.31Å; I848-S852 WeakPolarHBondContact O-CB 3.5Å; I848-S852 PolarHBondContact O-N 3.28Å; I848-L889 HydrophobicContact CB-CD2 3.91Å; I848-L889 HydrophobicContact CD1-CD2 4.05Å; I848-L889 HydrophobicContact CG2-CD2 3.48Å; I848-L889 VanDerWaalsContact CG2-CD2 3.48Å; I848-L922 HydrophobicContact CG2-CD2 3.59Å |
| 849 | A | 95.5 | Very high | 95.2 | Very high | 8 Ų | 8 | 36.6 Ų | 36.6 | 7% | 0.066 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.1 | -47.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A845 K846 A851 S852 E853 A886 K890 | A845-A849 PolarHBondContact O-N 3.23Å; K846-A849 WeakPolarHBondContact O-CA 3.42Å; K846-A849 WeakPolarHBondContact O-CB 3.37Å; K846-A849 PolarHBondContact O-N 2.97Å; A849-A851 PolarHBondContact O-N 3.25Å; A849-S852 WeakPolarHBondContact O-CB 3.46Å; A849-S852 PolarHBondContact O-N 3.12Å; A849-S852 VanDerWaalsContact O-N 3.1Å; A849-S852 PolarHBondContact O-OG 2.63Å; A849-E853 PolarHBondContact O-N 3.34Å; A849-A886 HydrophobicContact CB-CB 4.17Å; A849-K890 HydrophobicContact CB-CD 3.89Å; A849-K890 HydrophobicContact CB-CG 3.92Å |
| 850 | D | 96.4 | Very high | 95.4 | Very high | 105 Ų | 105 | 35.6 Ų | 35.6 | 56% | 0.561 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -61.2 | -43 | 177.8 | -62.7 | -18.4 | 0 | 0 | 0 | 111.5 | K846 S852 E853 E854 | K846-D850 VanDerWaalsContact O-CG 3.3Å; K846-D850 PolarHBondContact O-N 3.23Å; D850-S852 VanDerWaalsContact C-N 3.31Å; D850-S852 PolarHBondContact O-N 3.15Å; D850-E853 PolarHBondContact O-N 3.34Å; D850-E854 PolarHBondContact O-N 3.29Å; D850-E854 VanDerWaalsContact O-N 3.14Å |
| 851 | A | 96.4 | Very high | 95.3 | Very high | 7 Ų | 7 | 35.4 Ų | 35.4 | 6% | 0.058 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66 | -33.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | M820 A847 I848 A849 E854 V855 | M820-A851 HydrophobicContact CG-CB 3.6Å; A847-A851 WeakPolarHBondContact O-CB 3.28Å; A847-A851 PolarHBondContact O-N 3.14Å; I848-A851 PolarHBondContact O-N 2.92Å; A849-A851 PolarHBondContact O-N 3.25Å; A851-E854 PolarHBondContact O-N 3.38Å; A851-V855 WeakPolarHBondContact O-CG2 3.29Å; A851-V855 PolarHBondContact O-N 3.47Å; A851-V855 VanDerWaalsContact O-N 3.11Å |
| 852 | S | 96.5 | Very high | 95.3 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.014 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71.6 | -35.6 | 176.9 | 83.1 | 0 | 0 | 0 | 0 | 112.7 | M820 I848 A849 D850 E854 V855 T856 A886 | M820-S852 VanDerWaalsContact CE-CB 3.43Å; I848-S852 VanDerWaalsContact O-CB 3.31Å; I848-S852 WeakPolarHBondContact O-CB 3.5Å; I848-S852 PolarHBondContact O-N 3.28Å; A849-S852 WeakPolarHBondContact O-CB 3.46Å; A849-S852 PolarHBondContact O-N 3.12Å; A849-S852 VanDerWaalsContact O-N 3.1Å; A849-S852 PolarHBondContact O-OG 2.63Å; D850-S852 VanDerWaalsContact C-N 3.31Å; D850-S852 PolarHBondContact O-N 3.15Å; S852-E854 VanDerWaalsContact C-N 3.3Å; S852-V855 PolarHBondContact O-N 3.01Å; S852-T856 WeakPolarHBondContact O-CB 3.34Å; S852-T856 PolarHBondContact O-N 3.44Å; S852-T856 PolarHBondContact O-OG1 3.37Å; S852-A886 VanDerWaalsContact OG-CB 3.23Å; S852-A886 WeakPolarHBondContact OG-CB 3.46Å |
| 853 | E | 95.6 | Very high | 95.3 | Very high | 132 Ų | 132 | 35.3 Ų | 35.3 | 62% | 0.617 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -63.2 | -41.3 | 172.9 | -174.2 | 178 | 174.5 | 0 | 0 | 110 | A849 D850 T856 R857 | A849-E853 PolarHBondContact O-N 3.34Å; D850-E853 PolarHBondContact O-N 3.34Å; E853-T856 WeakPolarHBondContact O-CB 3.5Å; E853-T856 PolarHBondContact O-N 3.41Å; E853-R857 WeakPolarHBondContact O-CB 3.45Å; E853-R857 PolarHBondContact O-N 2.94Å |
| 854 | E | 95.6 | Very high | 95.2 | Very high | 50 Ų | 50 | 39 Ų | 39 | 23% | 0.234 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.6 | -44.3 | 175.8 | -178.5 | 60.5 | -176 | 0 | 0 | 112.5 | A816 D850 A851 S852 T856 R857 L858 | A816-E854 HydrophobicContact CB-CG 4.31Å; D850-E854 PolarHBondContact O-N 3.29Å; D850-E854 VanDerWaalsContact O-N 3.14Å; A851-E854 PolarHBondContact O-N 3.38Å; S852-E854 VanDerWaalsContact C-N 3.3Å; E854-T856 VanDerWaalsContact C-N 3.29Å; E854-T856 PolarHBondContact O-N 3.01Å; E854-R857 VanDerWaalsContact CD-NH2 3.3Å; E854-R857 PolarHBondContact O-N 3.08Å; E854-R857 IonicContact OE1-CZ 3.96Å; E854-R857 IonicContact OE1-NE 2.78Å; E854-R857 IonicContact OE1-NH2 2.66Å; E854-R857 PolarHBondContact OE1-NH2 3.21Å; E854-R857 IonicContact OE2-CZ 2.99Å; E854-R857 IonicContact OE2-NE 2.76Å; E854-R857 PolarHBondContact OE2-NE 2.96Å; E854-R857 IonicContact OE2-NH2 3.96Å; E854-R857 PolarHBondContact OE2-NH2 3.06Å; E854-R857 VanDerWaalsContact OE2-NH2 3.14Å; E854-L858 HydrophobicContact CG-CD1 3.97Å; E854-L858 WeakPolarHBondContact O-CB 3.34Å; E854-L858 VanDerWaalsContact O-CG 3.26Å; E854-L858 WeakPolarHBondContact O-CG 3.15Å; E854-L858 PolarHBondContact O-N 3.1Å; E854-L858 WeakPolarHBondContact OE1-CD1 3.48Å |
| 855 | V | 96.2 | Very high | 95 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56 | -47 | 172.4 | 170.5 | 0 | 0 | 0 | 0 | 110.4 | A816 M820 A851 S852 L858 A859 I882 V926 T929 | A816-V855 HydrophobicContact CB-CG2 3.57Å; M820-V855 HydrophobicContact SD-CG2 3.87Å; A851-V855 WeakPolarHBondContact O-CG2 3.29Å; A851-V855 PolarHBondContact O-N 3.47Å; A851-V855 VanDerWaalsContact O-N 3.11Å; S852-V855 PolarHBondContact O-N 3.01Å; V855-L858 PolarHBondContact O-N 3.48Å; V855-A859 VanDerWaalsContact O-CB 3.23Å; V855-A859 WeakPolarHBondContact O-CB 3.48Å; V855-A859 PolarHBondContact O-N 3.37Å; V855-I882 HydrophobicContact CG1-CD1 4.15Å; V855-V926 HydrophobicContact CG1-CG1 4.46Å; V855-T929 HydrophobicContact CG1-CG2 3.98Å |
| 856 | T | 95.5 | Very high | 94.7 | Very high | 15 Ų | 15 | 41 Ų | 41 | 9% | 0.092 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.7 | -47.4 | -178.7 | -54.1 | 0 | 0 | 0 | 0 | 111.4 | S852 E853 E854 L858 A859 V860 C879 I882 P883 | S852-T856 WeakPolarHBondContact O-CB 3.34Å; S852-T856 PolarHBondContact O-N 3.44Å; S852-T856 PolarHBondContact O-OG1 3.37Å; E853-T856 WeakPolarHBondContact O-CB 3.5Å; E853-T856 PolarHBondContact O-N 3.41Å; E854-T856 VanDerWaalsContact C-N 3.29Å; E854-T856 PolarHBondContact O-N 3.01Å; T856-L858 PolarHBondContact O-N 3.45Å; T856-A859 PolarHBondContact O-N 3.33Å; T856-V860 HydrophobicContact CG2-CG2 4.48Å; T856-V860 WeakPolarHBondContact O-CB 3.36Å; T856-V860 VanDerWaalsContact O-CG2 3.29Å; T856-V860 WeakPolarHBondContact O-CG2 3.44Å; T856-V860 PolarHBondContact O-N 3.24Å; T856-C879 HydrophobicContact CG2-CB 4.48Å; T856-I882 WeakPolarHBondContact OG1-CB 3.42Å; T856-I882 WeakPolarHBondContact OG1-CG2 3.41Å; T856-P883 HydrophobicContact CG2-CG 4.02Å |
| 857 | R | 96 | Very high | 94.6 | Very high | 114 Ų | 114 | 38 Ų | 38 | 43% | 0.43 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -58.4 | -47.8 | 178.9 | -173.5 | -168.5 | 69.9 | 78.8 | 0.5 | 111.5 | E853 E854 V860 L861 | E853-R857 WeakPolarHBondContact O-CB 3.45Å; E853-R857 PolarHBondContact O-N 2.94Å; E854-R857 VanDerWaalsContact CD-NH2 3.3Å; E854-R857 PolarHBondContact O-N 3.08Å; E854-R857 IonicContact OE1-CZ 3.96Å; E854-R857 IonicContact OE1-NE 2.78Å; E854-R857 IonicContact OE1-NH2 2.66Å; E854-R857 PolarHBondContact OE1-NH2 3.21Å; E854-R857 IonicContact OE2-CZ 2.99Å; E854-R857 IonicContact OE2-NE 2.76Å; E854-R857 PolarHBondContact OE2-NE 2.96Å; E854-R857 IonicContact OE2-NH2 3.96Å; E854-R857 PolarHBondContact OE2-NH2 3.06Å; E854-R857 VanDerWaalsContact OE2-NH2 3.14Å; R857-V860 PolarHBondContact O-N 3.41Å; R857-L861 VanDerWaalsContact NH1-CD1 3.25Å; R857-L861 WeakPolarHBondContact O-CG 3.25Å; R857-L861 PolarHBondContact O-N 2.66Å |
| 858 | L | 94.4 | Very high | 94.3 | Very high | 14 Ų | 14 | 37.5 Ų | 37.5 | 7% | 0.073 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.1 | -41 | 179.2 | -69.1 | 169.6 | 0 | 0 | 0 | 112.1 | E812 I813 E854 V855 T856 L861 L862 | E812-L858 HydrophobicContact CB-CD1 3.46Å; E812-L858 VanDerWaalsContact CB-CD1 3.46Å; E812-L858 HydrophobicContact CB-CD2 4.32Å; E812-L858 WeakPolarHBondContact OE2-CD2 3.3Å; I813-L858 HydrophobicContact CD1-CB 4.13Å; I813-L858 HydrophobicContact CG1-CB 3.55Å; I813-L858 HydrophobicContact CG1-CD1 4Å; I813-L858 HydrophobicContact CG1-CG 4.41Å; E854-L858 HydrophobicContact CG-CD1 3.97Å; E854-L858 WeakPolarHBondContact O-CB 3.34Å; E854-L858 VanDerWaalsContact O-CG 3.26Å; E854-L858 WeakPolarHBondContact O-CG 3.15Å; E854-L858 PolarHBondContact O-N 3.1Å; E854-L858 WeakPolarHBondContact OE1-CD1 3.48Å; V855-L858 PolarHBondContact O-N 3.48Å; T856-L858 PolarHBondContact O-N 3.45Å; L858-L861 PolarHBondContact O-N 2.8Å; L858-L862 WeakPolarHBondContact O-CB 3.28Å; L858-L862 PolarHBondContact O-N 2.82Å |
| 859 | A | 95 | Very high | 94.1 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.7 | -44.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V855 T856 L861 L862 A863 L875 C879 T929 | V855-A859 VanDerWaalsContact O-CB 3.23Å; V855-A859 WeakPolarHBondContact O-CB 3.48Å; V855-A859 PolarHBondContact O-N 3.37Å; T856-A859 PolarHBondContact O-N 3.33Å; A859-L861 PolarHBondContact O-N 3.36Å; A859-L862 PolarHBondContact O-N 2.82Å; A859-A863 WeakPolarHBondContact O-CB 3.26Å; A859-A863 PolarHBondContact O-N 2.94Å; A859-L875 HydrophobicContact CB-CD1 4.01Å; A859-L875 HydrophobicContact CB-CG 4.46Å; A859-L875 WeakPolarHBondContact O-CD2 3.49Å; A859-C879 HydrophobicContact CB-CB 3.92Å; A859-T929 HydrophobicContact CB-CG2 3.65Å |
| 860 | V | 94.8 | Very high | 93.7 | Very high | 43 Ų | 43 | 43.9 Ų | 43.9 | 26% | 0.261 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.8 | -39.3 | 175.9 | 170.5 | 0 | 0 | 0 | 0 | 111.6 | T856 R857 A863 K864 L876 | T856-V860 HydrophobicContact CG2-CG2 4.48Å; T856-V860 WeakPolarHBondContact O-CB 3.36Å; T856-V860 VanDerWaalsContact O-CG2 3.29Å; T856-V860 WeakPolarHBondContact O-CG2 3.44Å; T856-V860 PolarHBondContact O-N 3.24Å; R857-V860 PolarHBondContact O-N 3.41Å; V860-A863 PolarHBondContact O-N 3.46Å; V860-K864 WeakPolarHBondContact O-CG 3.13Å; V860-K864 PolarHBondContact O-N 3.41Å; V860-L876 HydrophobicContact CG2-CD2 4.1Å |
| 861 | L | 92.7 | Very high | 93.4 | Very high | 69 Ų | 69 | 41.7 Ų | 41.7 | 36% | 0.361 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63.4 | -45.2 | 174.7 | -75.5 | 173 | 0 | 0 | 0 | 111.7 | R857 L858 A859 K864 Q865 | R857-L861 VanDerWaalsContact NH1-CD1 3.25Å; R857-L861 WeakPolarHBondContact O-CG 3.25Å; R857-L861 PolarHBondContact O-N 2.66Å; L858-L861 PolarHBondContact O-N 2.8Å; A859-L861 PolarHBondContact O-N 3.36Å; L861-K864 PolarHBondContact O-N 2.78Å; L861-Q865 WeakPolarHBondContact O-CG 3.26Å; L861-Q865 PolarHBondContact O-N 3.07Å |
| 862 | L | 92.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.9 | -44.5 | 175.3 | 175.4 | 60.6 | 0 | 0 | 0 | 111.5 | I813 L858 A859 K864 Q865 C866 L875 A933 I940 L946 L948 | I813-L862 HydrophobicContact CD1-CD2 4.28Å; L858-L862 WeakPolarHBondContact O-CB 3.28Å; L858-L862 PolarHBondContact O-N 2.82Å; A859-L862 PolarHBondContact O-N 2.82Å; L862-K864 VanDerWaalsContact C-N 3.29Å; L862-K864 PolarHBondContact O-N 3.04Å; L862-Q865 CarbonylContact O-C 3.22Å; L862-Q865 PolarHBondContact O-N 3.23Å; L862-C866 PolarHBondContact O-N 3.4Å; L862-L875 HydrophobicContact CB-CD2 4.35Å; L862-L875 HydrophobicContact CD2-CD2 4.13Å; L862-L875 HydrophobicContact CG-CD2 4.14Å; L862-A933 HydrophobicContact CD2-CB 3.63Å; L862-A933 VanDerWaalsContact CD2-O 3.29Å; L862-A933 WeakPolarHBondContact CD2-O 3.37Å; L862-I940 HydrophobicContact CD1-CD1 3.54Å; L862-I940 HydrophobicContact CD1-CG1 3.86Å; L862-L946 HydrophobicContact CB-CD2 4.31Å; L862-L946 HydrophobicContact CD1-CD2 3.76Å; L862-L948 HydrophobicContact CB-CD1 4.39Å; L862-L948 HydrophobicContact CD1-CD1 4.16Å; L862-L948 HydrophobicContact CD2-CD1 3.99Å; L862-L948 HydrophobicContact CG-CD1 4.42Å |
| 863 | A | 92.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -55.9 | -44.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | A859 V860 Q865 C866 R872 L875 L876 | A859-A863 WeakPolarHBondContact O-CB 3.26Å; A859-A863 PolarHBondContact O-N 2.94Å; V860-A863 PolarHBondContact O-N 3.46Å; A863-Q865 PolarHBondContact O-N 3.32Å; A863-C866 WeakPolarHBondContact O-CB 3.45Å; A863-C866 PolarHBondContact O-N 3.42Å; A863-C866 VanDerWaalsContact O-N 3.14Å; A863-R872 HydrophobicContact CB-CG 4.13Å; A863-R872 WeakPolarHBondContact O-CD 3.13Å; A863-R872 VanDerWaalsContact O-CG 3.27Å; A863-R872 WeakPolarHBondContact O-CG 3.41Å; A863-L875 HydrophobicContact CB-CD2 3.87Å; A863-L875 HydrophobicContact CB-CG 4.19Å; A863-L876 HydrophobicContact CB-CD2 3.73Å; A863-L876 HydrophobicContact CB-CG 3.87Å |
| 864 | K | 92 | Very high | 92.5 | Very high | 142 Ų | 142 | 45.8 Ų | 45.8 | 62% | 0.617 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -61.4 | -26.2 | 176.2 | -74.2 | 173.9 | -179.3 | 178 | 0 | 113.9 | V860 L861 L862 | V860-K864 WeakPolarHBondContact O-CG 3.13Å; V860-K864 PolarHBondContact O-N 3.41Å; L861-K864 PolarHBondContact O-N 2.78Å; L862-K864 VanDerWaalsContact C-N 3.29Å; L862-K864 PolarHBondContact O-N 3.04Å |
| 865 | Q | 91.2 | Very high | 92.3 | Very high | 54 Ų | 54 | 43.4 Ų | 43.4 | 25% | 0.252 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -94.3 | -11.3 | 178.8 | -57 | -58.6 | -32.4 | 0 | 0 | 113.1 | L861 L862 A863 T867 I940 R941 L946 | L861-Q865 WeakPolarHBondContact O-CG 3.26Å; L861-Q865 PolarHBondContact O-N 3.07Å; L862-Q865 CarbonylContact O-C 3.22Å; L862-Q865 PolarHBondContact O-N 3.23Å; A863-Q865 PolarHBondContact O-N 3.32Å; Q865-T867 PolarHBondContact O-N 3.35Å; Q865-I940 HydrophobicContact CB-CG2 3.76Å; Q865-I940 WeakPolarHBondContact O-CA 3.25Å; Q865-R941 PolarHBondContact O-N 2.96Å; Q865-L946 HydrophobicContact CG-CD2 4.49Å |
| 866 | C | 91.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | B | Isolated β-bridge | trans | -71.5 | 124.9 | 177.9 | -171.9 | 0 | 0 | 0 | 0 | 110 | L862 A863 R872 A936 K939 | L862-C866 PolarHBondContact O-N 3.4Å; A863-C866 WeakPolarHBondContact O-CB 3.45Å; A863-C866 PolarHBondContact O-N 3.42Å; A863-C866 VanDerWaalsContact O-N 3.14Å; C866-R872 HydrophobicContact CB-CB 4.22Å; C866-R872 PolarHBondContact O-NH1 2.88Å; C866-A936 HydrophobicContact CB-CB 4.33Å; C866-K939 CarbonylContact C-O 3.32Å; C866-K939 VanDerWaalsContact CA-O 3.24Å; C866-K939 WeakPolarHBondContact CA-O 3.36Å |
| 867 | T | 91.7 | Very high | 91.5 | Very high | 8 Ų | 8 | 48.9 Ų | 48.9 | 5% | 0.049 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -82.1 | -14.1 | 177.7 | 54 | 0 | 0 | 0 | 0 | 112.9 | S667 E668 D669 Q865 K939 R941 | S667-T867 CarbonylContact C-O 3.43Å; S667-T867 WeakPolarHBondContact CA-O 3.09Å; E668-T867 PolarHBondContact N-O 3.12Å; D669-T867 HydrophobicContact CB-CG2 4.31Å; Q865-T867 PolarHBondContact O-N 3.35Å; T867-K939 PolarHBondContact N-O 2.98Å; T867-K939 PolarHBondContact OG1-O 3.09Å; T867-R941 HydrophobicContact CG2-CB 4.3Å; T867-R941 HydrophobicContact CG2-CG 3.46Å; T867-R941 VanDerWaalsContact CG2-CG 3.46Å |
| 868 | D | 91.4 | Very high | 91.1 | Very high | 24 Ų | 24 | 45.2 Ų | 45.2 | 13% | 0.128 | 22% | 0.224 | C | C | . | . | B | Isolated β-bridge | trans | -89.3 | 115.1 | 176 | -170.6 | -59.2 | 0 | 0 | 0 | 110.4 | N666 K870 M871 R872 K939 | N666-D868 PolarHBondContact ND2-OD1 3.03Å; N666-D868 PolarHBondContact ND2-OD2 3.23Å; N666-D868 WeakPolarHBondContact O-CA 3.36Å; D868-K870 PolarHBondContact O-N 2.92Å; D868-K870 PolarHBondContact OD1-N 3.5Å; D868-K870 VanDerWaalsContact OD1-N 3.13Å; D868-M871 HydrophobicContact CB-CB 3.98Å; D868-M871 HydrophobicContact CB-CG 3.92Å; D868-M871 HydrophobicContact CB-SD 3.92Å; D868-M871 PolarHBondContact O-N 3.12Å; D868-M871 PolarHBondContact OD1-N 2.99Å; D868-R872 VanDerWaalsContact O-CB 3.28Å; D868-R872 WeakPolarHBondContact O-CB 3.12Å; D868-R872 PolarHBondContact O-N 3.38Å; D868-K939 HydrophobicContact CB-CB 4.04Å; D868-K939 HydrophobicContact CB-CG 4.22Å |
| 869 | I | 91.6 | Very high | 90.9 | Very high | 44 Ų | 44 | 44.6 Ų | 44.6 | 23% | 0.226 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.2 | -41.8 | -173.1 | -58.1 | 178 | 0 | 0 | 0 | 111 | E665 N666 E668 K873 | E665-I869 VanDerWaalsContact O-CD1 3.23Å; E665-I869 WeakPolarHBondContact O-CD1 3.38Å; N666-I869 WeakPolarHBondContact O-CG1 3.35Å; N666-I869 PolarHBondContact O-N 3.44Å; E668-I869 HydrophobicContact CG-CG1 4.28Å; I869-K873 HydrophobicContact CG2-CD 4.39Å; I869-K873 WeakPolarHBondContact O-CG 3.32Å; I869-K873 PolarHBondContact O-N 3.36Å |
| 870 | K | 87.9 | Confident | 90.5 | Very high | 99 Ų | 99 | 49.1 Ų | 49.1 | 43% | 0.43 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.4 | -48.3 | 178.6 | -78.6 | 173.3 | -172.4 | -172.1 | 0 | 111.4 | D608 N666 D868 R872 K873 A874 | D608-K870 IonicContact OD1-NZ 2.71Å; D608-K870 PolarHBondContact OD1-NZ 3.29Å; N666-K870 WeakPolarHBondContact OD1-CB 3.39Å; N666-K870 WeakPolarHBondContact OD1-CG 3.43Å; N666-K870 PolarHBondContact OD1-N 3.11Å; D868-K870 PolarHBondContact O-N 2.92Å; D868-K870 PolarHBondContact OD1-N 3.5Å; D868-K870 VanDerWaalsContact OD1-N 3.13Å; K870-R872 VanDerWaalsContact C-N 3.29Å; K870-R872 PolarHBondContact O-N 3.41Å; K870-K873 PolarHBondContact O-N 2.91Å; K870-A874 PolarHBondContact O-N 3.27Å |
| 871 | M | 89.6 | Confident | 90.1 | Very high | 58 Ų | 58 | 49.1 Ų | 49.1 | 29% | 0.286 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.7 | -40.6 | 177.6 | -65.3 | -176.6 | 122.9 | 0 | 0 | 111.8 | D868 A874 L875 A935 A936 K939 | D868-M871 HydrophobicContact CB-CB 3.98Å; D868-M871 HydrophobicContact CB-CG 3.92Å; D868-M871 HydrophobicContact CB-SD 3.92Å; D868-M871 PolarHBondContact O-N 3.12Å; D868-M871 PolarHBondContact OD1-N 2.99Å; M871-A874 PolarHBondContact O-N 2.93Å; M871-L875 WeakPolarHBondContact O-CB 3.36Å; M871-L875 PolarHBondContact O-N 3.22Å; M871-A935 HydrophobicContact CE-CB 3.73Å; M871-A935 VanDerWaalsContact CE-O 3.28Å; M871-A935 WeakPolarHBondContact CE-O 3.35Å; M871-A936 HydrophobicContact CB-CB 4.5Å; M871-K939 HydrophobicContact SD-CB 4.39Å; M871-K939 HydrophobicContact SD-CG 4.08Å |
| 872 | R | 93 | Very high | 90 | Very high | 40 Ų | 40 | 45.9 Ų | 45.9 | 15% | 0.151 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.7 | -47.5 | 174.6 | 176.4 | 171.4 | 61.4 | -140.5 | 13.4 | 112.3 | E668 A863 C866 D868 K870 L875 L876 | E668-R872 VanDerWaalsContact CD-NH1 3.26Å; E668-R872 IonicContact OE1-CZ 3.61Å; E668-R872 IonicContact OE1-NH1 4Å; E668-R872 PolarHBondContact OE1-NH1 3.01Å; E668-R872 IonicContact OE1-NH2 3.41Å; E668-R872 PolarHBondContact OE1-NH2 3.41Å; E668-R872 IonicContact OE2-CZ 3.88Å; E668-R872 IonicContact OE2-NH1 3.9Å; E668-R872 PolarHBondContact OE2-NH1 3.32Å; E668-R872 IonicContact OE2-NH2 2.9Å; A863-R872 HydrophobicContact CB-CG 4.13Å; A863-R872 WeakPolarHBondContact O-CD 3.13Å; A863-R872 VanDerWaalsContact O-CG 3.27Å; A863-R872 WeakPolarHBondContact O-CG 3.41Å; C866-R872 HydrophobicContact CB-CB 4.22Å; C866-R872 PolarHBondContact O-NH1 2.88Å; D868-R872 VanDerWaalsContact O-CB 3.28Å; D868-R872 WeakPolarHBondContact O-CB 3.12Å; D868-R872 PolarHBondContact O-N 3.38Å; K870-R872 VanDerWaalsContact C-N 3.29Å; K870-R872 PolarHBondContact O-N 3.41Å; R872-L875 PolarHBondContact O-N 3.43Å; R872-L876 HydrophobicContact CG-CD1 4.06Å; R872-L876 VanDerWaalsContact O-CG 3.32Å; R872-L876 WeakPolarHBondContact O-CG 3.11Å; R872-L876 PolarHBondContact O-N 2.76Å |
| 873 | K | 89 | Confident | 89.9 | Confident | 141 Ų | 141 | 48.6 Ų | 48.6 | 61% | 0.613 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -60.9 | -44.8 | 177.3 | -77.2 | 179.3 | 179.1 | -177.2 | 0 | 111.4 | I869 K870 L875 L876 Q877 | I869-K873 HydrophobicContact CG2-CD 4.39Å; I869-K873 WeakPolarHBondContact O-CG 3.32Å; I869-K873 PolarHBondContact O-N 3.36Å; K870-K873 PolarHBondContact O-N 2.91Å; K873-L875 PolarHBondContact O-N 3.46Å; K873-L876 PolarHBondContact O-N 3.34Å; K873-Q877 WeakPolarHBondContact O-CB 3.27Å; K873-Q877 PolarHBondContact O-N 2.83Å |
| 874 | A | 86.6 | Confident | 89.6 | Confident | 46 Ų | 46 | 49.9 Ų | 49.9 | 38% | 0.38 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.8 | -46.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K870 M871 L876 Q877 V878 | K870-A874 PolarHBondContact O-N 3.27Å; M871-A874 PolarHBondContact O-N 2.93Å; A874-L876 PolarHBondContact O-N 2.8Å; A874-Q877 PolarHBondContact O-N 2.94Å; A874-V878 WeakPolarHBondContact O-CG2 3.31Å; A874-V878 PolarHBondContact O-N 3.44Å; A874-V878 VanDerWaalsContact O-N 3.15Å |
| 875 | L | 92 | Very high | 89.5 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.4 | -43.9 | 176.7 | 179.4 | 55.4 | 0 | 0 | 0 | 112.3 | A859 L862 A863 M871 R872 K873 V878 C879 T929 A932 A933 A936 | A859-L875 HydrophobicContact CB-CD1 4.01Å; A859-L875 HydrophobicContact CB-CG 4.46Å; A859-L875 WeakPolarHBondContact O-CD2 3.49Å; L862-L875 HydrophobicContact CB-CD2 4.35Å; L862-L875 HydrophobicContact CD2-CD2 4.13Å; L862-L875 HydrophobicContact CG-CD2 4.14Å; A863-L875 HydrophobicContact CB-CD2 3.87Å; A863-L875 HydrophobicContact CB-CG 4.19Å; M871-L875 WeakPolarHBondContact O-CB 3.36Å; M871-L875 PolarHBondContact O-N 3.22Å; R872-L875 PolarHBondContact O-N 3.43Å; K873-L875 PolarHBondContact O-N 3.46Å; L875-V878 HydrophobicContact CD1-CG2 4.43Å; L875-V878 VanDerWaalsContact O-CG2 3.27Å; L875-V878 WeakPolarHBondContact O-CG2 3.37Å; L875-V878 PolarHBondContact O-N 3.07Å; L875-C879 WeakPolarHBondContact O-CB 3.37Å; L875-C879 PolarHBondContact O-N 3.25Å; L875-C879 PolarHBondContact O-SG 3.28Å; L875-T929 HydrophobicContact CD1-CG2 4.1Å; L875-A932 HydrophobicContact CB-CB 4.23Å; L875-A932 HydrophobicContact CD1-CB 3.8Å; L875-A933 HydrophobicContact CD1-CB 4.21Å; L875-A936 HydrophobicContact CD2-CB 3.96Å |
| 876 | L | 91.7 | Very high | 89.6 | Confident | 64 Ų | 64 | 40.7 Ų | 40.7 | 34% | 0.335 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.6 | -43.8 | 177.7 | -70 | 172 | 0 | 0 | 0 | 111.9 | V860 A863 R872 K873 A874 V878 C879 E880 | V860-L876 HydrophobicContact CG2-CD2 4.1Å; A863-L876 HydrophobicContact CB-CD2 3.73Å; A863-L876 HydrophobicContact CB-CG 3.87Å; R872-L876 HydrophobicContact CG-CD1 4.06Å; R872-L876 VanDerWaalsContact O-CG 3.32Å; R872-L876 WeakPolarHBondContact O-CG 3.11Å; R872-L876 PolarHBondContact O-N 2.76Å; K873-L876 PolarHBondContact O-N 3.34Å; A874-L876 PolarHBondContact O-N 2.8Å; L876-V878 VanDerWaalsContact C-N 3.33Å; L876-V878 PolarHBondContact O-N 2.96Å; L876-C879 PolarHBondContact O-N 3Å; L876-C879 PolarHBondContact O-SG 3.49Å; L876-E880 VanDerWaalsContact O-CB 3.29Å; L876-E880 WeakPolarHBondContact O-CB 3.31Å; L876-E880 VanDerWaalsContact O-CG 3.32Å; L876-E880 WeakPolarHBondContact O-CG 3.38Å; L876-E880 PolarHBondContact O-N 2.97Å |
| 877 | Q | 84.5 | Confident | 89.5 | Confident | 66 Ų | 66 | 41.5 Ų | 41.5 | 31% | 0.308 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.9 | -34.9 | -179.2 | -169.4 | -179.4 | 15.7 | 0 | 0 | 112.8 | E188 K873 A874 E880 | E188-Q877 PolarHBondContact OE1-NE2 3.41Å; K873-Q877 WeakPolarHBondContact O-CB 3.27Å; K873-Q877 PolarHBondContact O-N 2.83Å; A874-Q877 PolarHBondContact O-N 2.94Å; Q877-E880 WeakPolarHBondContact O-CG 3.27Å |
| 878 | V | 85.9 | Confident | 89.4 | Confident | 37 Ų | 37 | 41.8 Ų | 41.8 | 22% | 0.224 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -79.5 | -37.9 | 176.7 | -61.3 | 0 | 0 | 0 | 0 | 112.3 | A874 L875 L876 D928 A932 | A874-V878 WeakPolarHBondContact O-CG2 3.31Å; A874-V878 PolarHBondContact O-N 3.44Å; A874-V878 VanDerWaalsContact O-N 3.15Å; L875-V878 HydrophobicContact CD1-CG2 4.43Å; L875-V878 VanDerWaalsContact O-CG2 3.27Å; L875-V878 WeakPolarHBondContact O-CG2 3.37Å; L875-V878 PolarHBondContact O-N 3.07Å; L876-V878 VanDerWaalsContact C-N 3.33Å; L876-V878 PolarHBondContact O-N 2.96Å; V878-D928 HydrophobicContact CG1-CB 4.44Å; V878-A932 HydrophobicContact CG2-CB 3.94Å |
| 879 | C | 90.6 | Very high | 89.4 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.007 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -80.4 | -27 | -176.6 | 74.7 | 0 | 0 | 0 | 0 | 113.5 | T856 A859 L875 L876 R881 I882 P883 T929 | T856-C879 HydrophobicContact CG2-CB 4.48Å; A859-C879 HydrophobicContact CB-CB 3.92Å; L875-C879 WeakPolarHBondContact O-CB 3.37Å; L875-C879 PolarHBondContact O-N 3.25Å; L875-C879 PolarHBondContact O-SG 3.28Å; L876-C879 PolarHBondContact O-N 3Å; L876-C879 PolarHBondContact O-SG 3.49Å; C879-R881 PolarHBondContact O-N 3.34Å; C879-I882 WeakPolarHBondContact O-CB 3.48Å; C879-I882 PolarHBondContact O-N 3.19Å; C879-I882 VanDerWaalsContact O-N 3.17Å; C879-P883 WeakPolarHBondContact O-CD 3.37Å; C879-T929 HydrophobicContact CB-CG2 3.87Å |
| 880 | E | 88 | Confident | 89.5 | Confident | 96 Ų | 96 | 41.5 Ų | 41.5 | 45% | 0.449 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -18.5 | 179.5 | 70.5 | -175.7 | 177.9 | 0 | 0 | 113.6 | L876 Q877 P883 | L876-E880 VanDerWaalsContact O-CB 3.29Å; L876-E880 WeakPolarHBondContact O-CB 3.31Å; L876-E880 VanDerWaalsContact O-CG 3.32Å; L876-E880 WeakPolarHBondContact O-CG 3.38Å; L876-E880 PolarHBondContact O-N 2.97Å; Q877-E880 WeakPolarHBondContact O-CG 3.27Å; E880-P883 WeakPolarHBondContact O-CD 3.37Å |
| 881 | R | 85.4 | Confident | 89.5 | Confident | 43 Ų | 43 | 36.9 Ų | 36.9 | 16% | 0.162 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -28 | 176.9 | -61.7 | 172.9 | 60.5 | 178.7 | -2 | 113 | E251 C879 T884 I885 | E251-R881 IonicContact OE1-CZ 3.21Å; E251-R881 VanDerWaalsContact OE1-CZ 3.24Å; E251-R881 IonicContact OE1-NH1 3.66Å; E251-R881 PolarHBondContact OE1-NH1 3.05Å; E251-R881 IonicContact OE1-NH2 2.75Å; E251-R881 PolarHBondContact OE1-NH2 2.89Å; E251-R881 IonicContact OE2-CZ 3.47Å; E251-R881 IonicContact OE2-NH1 2.66Å; E251-R881 PolarHBondContact OE2-NH1 3.11Å; E251-R881 IonicContact OE2-NH2 3.89Å; E251-R881 PolarHBondContact OE2-NH2 3.26Å; C879-R881 PolarHBondContact O-N 3.34Å; R881-T884 PolarHBondContact O-N 3.38Å; R881-I885 HydrophobicContact CB-CD1 4.22Å; R881-I885 WeakPolarHBondContact O-CG1 3.37Å; R881-I885 PolarHBondContact O-N 3.4Å |
| 882 | I | 91.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.3 | -46.4 | -172.1 | -66.9 | 174 | 0 | 0 | 0 | 112.3 | V855 T856 C879 T884 I885 A886 L922 V926 T929 | V855-I882 HydrophobicContact CG1-CD1 4.15Å; T856-I882 WeakPolarHBondContact OG1-CB 3.42Å; T856-I882 WeakPolarHBondContact OG1-CG2 3.41Å; C879-I882 WeakPolarHBondContact O-CB 3.48Å; C879-I882 PolarHBondContact O-N 3.19Å; C879-I882 VanDerWaalsContact O-N 3.17Å; I882-T884 PolarHBondContact O-N 2.96Å; I882-I885 PolarHBondContact O-N 3.41Å; I882-A886 WeakPolarHBondContact O-CB 3.42Å; I882-A886 PolarHBondContact O-N 2.92Å; I882-L922 HydrophobicContact CG2-CD1 4.04Å; I882-V926 HydrophobicContact CD1-CG2 4.05Å; I882-V926 HydrophobicContact CG1-CG2 4.48Å; I882-T929 HydrophobicContact CD1-CG2 4.37Å; I882-T929 WeakPolarHBondContact CD1-OG1 3.24Å |
| 883 | P | 90.8 | Very high | 89.5 | Confident | 58 Ų | 58 | 32.4 Ų | 32.4 | 38% | 0.377 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -56.9 | -47.5 | -178.9 | -28 | 36.6 | 0 | 0 | 0 | 113.7 | T856 C879 E880 A886 T887 | T856-P883 HydrophobicContact CG2-CG 4.02Å; C879-P883 WeakPolarHBondContact O-CD 3.37Å; E880-P883 WeakPolarHBondContact O-CD 3.37Å; P883-A886 PolarHBondContact O-N 3.34Å; P883-T887 PolarHBondContact O-N 3.3Å; P883-T887 PolarHBondContact O-OG1 3.15Å |
| 884 | T | 86.4 | Confident | 89.5 | Confident | 26 Ų | 26 | 26 Ų | 26 | 16% | 0.16 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.5 | -46.4 | 178.6 | -63.4 | 0 | 0 | 0 | 0 | 111.2 | T182 R881 I882 A886 T887 Q888 | T182-T884 HydrophobicContact CG2-CG2 4.5Å; R881-T884 PolarHBondContact O-N 3.38Å; I882-T884 PolarHBondContact O-N 2.96Å; T884-A886 VanDerWaalsContact C-N 3.3Å; T884-A886 PolarHBondContact O-N 3.03Å; T884-T887 PolarHBondContact O-N 2.97Å; T884-Q888 VanDerWaalsContact O-CG 3.29Å; T884-Q888 WeakPolarHBondContact O-CG 3.43Å; T884-Q888 PolarHBondContact O-N 3.38Å |
| 885 | I | 89.6 | Confident | 89.6 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.8 | -39.6 | 179.5 | -59.2 | 167.7 | 0 | 0 | 0 | 110.5 | Y249 R881 I882 Q888 L889 N918 N921 L922 S925 | Y249-I885 HydrophobicContact CE2-CG1 4.43Å; R881-I885 HydrophobicContact CB-CD1 4.22Å; R881-I885 WeakPolarHBondContact O-CG1 3.37Å; R881-I885 PolarHBondContact O-N 3.4Å; I882-I885 PolarHBondContact O-N 3.41Å; I885-Q888 WeakPolarHBondContact O-CB 3.39Å; I885-Q888 PolarHBondContact O-N 3.46Å; I885-L889 PolarHBondContact O-N 3.38Å; I885-N918 WeakPolarHBondContact CG2-ND2 3.48Å; I885-N918 PolarHBondContact O-ND2 3.01Å; I885-N918 VanDerWaalsContact O-ND2 3.14Å; I885-N918 PolarHBondContact O-OD1 3.45Å; I885-N921 HydrophobicContact CD1-CB 4.33Å; I885-N921 HydrophobicContact CG2-CB 4.43Å; I885-L922 HydrophobicContact CB-CD1 4.22Å; I885-L922 HydrophobicContact CG2-CB 3.62Å; I885-L922 HydrophobicContact CG2-CD1 4.03Å; I885-L922 HydrophobicContact CG2-CG 4.33Å; I885-S925 WeakPolarHBondContact CD1-OG 3.46Å |
| 886 | A | 92.8 | Very high | 89.5 | Confident | 4 Ų | 4 | 24.1 Ų | 24.1 | 3% | 0.033 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.9 | -38.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | A849 S852 I882 P883 T884 L889 K890 | A849-A886 HydrophobicContact CB-CB 4.17Å; S852-A886 VanDerWaalsContact OG-CB 3.23Å; S852-A886 WeakPolarHBondContact OG-CB 3.46Å; I882-A886 WeakPolarHBondContact O-CB 3.42Å; I882-A886 PolarHBondContact O-N 2.92Å; P883-A886 PolarHBondContact O-N 3.34Å; T884-A886 VanDerWaalsContact C-N 3.3Å; T884-A886 PolarHBondContact O-N 3.03Å; A886-L889 WeakPolarHBondContact O-CB 3.42Å; A886-L889 PolarHBondContact O-N 3.17Å; A886-K890 PolarHBondContact O-N 2.9Å |
| 887 | T | 89.5 | Confident | 89.4 | Confident | 16 Ų | 16 | 21 Ų | 21 | 10% | 0.098 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.5 | -47.4 | 172.3 | -66.3 | 0 | 0 | 0 | 0 | 111.4 | E10 E14 P883 T884 L889 K890 I891 | E10-T887 HydrophobicContact CG-CG2 4.14Å; E14-T887 HydrophobicContact CB-CG2 4.16Å; E14-T887 HydrophobicContact CG-CG2 4.05Å; P883-T887 PolarHBondContact O-N 3.3Å; P883-T887 PolarHBondContact O-OG1 3.15Å; T884-T887 PolarHBondContact O-N 2.97Å; T887-L889 VanDerWaalsContact C-N 3.3Å; T887-L889 PolarHBondContact O-N 3.16Å; T887-K890 WeakPolarHBondContact O-CB 3.27Å; T887-K890 PolarHBondContact O-N 3.3Å; T887-I891 HydrophobicContact CG2-CD1 4.12Å; T887-I891 WeakPolarHBondContact O-CG1 3.39Å; T887-I891 PolarHBondContact O-N 3.35Å; T887-I891 VanDerWaalsContact O-N 3.15Å |
| 888 | Q | 89.5 | Confident | 89.5 | Confident | 14 Ų | 14 | 18.1 Ų | 18.1 | 7% | 0.065 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -57.9 | -41.7 | 173.7 | -66.7 | 175.7 | 6.1 | 0 | 0 | 111.8 | F4 T884 I885 K890 I891 L892 N918 | F4-Q888 HydrophobicContact CB-CG 3.7Å; F4-Q888 HydrophobicContact CD1-CG 4.46Å; F4-Q888 HydrophobicContact CD2-CB 4.12Å; F4-Q888 HydrophobicContact CD2-CG 3.6Å; F4-Q888 HydrophobicContact CE2-CB 4.36Å; F4-Q888 HydrophobicContact CE2-CG 4.3Å; F4-Q888 HydrophobicContact CG-CG 3.68Å; T884-Q888 VanDerWaalsContact O-CG 3.29Å; T884-Q888 WeakPolarHBondContact O-CG 3.43Å; T884-Q888 PolarHBondContact O-N 3.38Å; I885-Q888 WeakPolarHBondContact O-CB 3.39Å; I885-Q888 PolarHBondContact O-N 3.46Å; Q888-K890 PolarHBondContact O-N 3.4Å; Q888-I891 PolarHBondContact O-N 2.92Å; Q888-L892 WeakPolarHBondContact O-CB 3.29Å; Q888-L892 WeakPolarHBondContact O-CG 2.85Å; Q888-L892 PolarHBondContact O-N 3.04Å; Q888-N918 WeakPolarHBondContact CB-ND2 3.31Å; Q888-N918 PolarHBondContact OE1-ND2 2.73Å; Q888-N918 VanDerWaalsContact OE1-ND2 3.08Å |
| 889 | L | 92.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -58.8 | -44.7 | 176.4 | -170.6 | 75 | 0 | 0 | 0 | 111.9 | M824 L827 I848 I885 A886 T887 I891 S893 L915 N918 L922 | M824-L889 HydrophobicContact CE-CD2 4.29Å; L827-L889 HydrophobicContact CD2-CD1 4.05Å; I848-L889 HydrophobicContact CB-CD2 3.91Å; I848-L889 HydrophobicContact CD1-CD2 4.05Å; I848-L889 HydrophobicContact CG2-CD2 3.48Å; I848-L889 VanDerWaalsContact CG2-CD2 3.48Å; I885-L889 PolarHBondContact O-N 3.38Å; A886-L889 WeakPolarHBondContact O-CB 3.42Å; A886-L889 PolarHBondContact O-N 3.17Å; T887-L889 VanDerWaalsContact C-N 3.3Å; T887-L889 PolarHBondContact O-N 3.16Å; L889-I891 VanDerWaalsContact C-N 3.31Å; L889-I891 PolarHBondContact O-N 3.1Å; L889-S893 WeakPolarHBondContact O-CB 3.42Å; L889-S893 PolarHBondContact O-N 3.1Å; L889-S893 PolarHBondContact O-OG 3.01Å; L889-L915 HydrophobicContact CD1-CD1 3.73Å; L889-N918 VanDerWaalsContact CA-OD1 3.31Å; L889-N918 WeakPolarHBondContact CA-OD1 3.23Å; L889-N918 VanDerWaalsContact CB-OD1 3.24Å; L889-N918 WeakPolarHBondContact CB-OD1 3.43Å; L889-N918 VanDerWaalsContact CD1-OD1 3.28Å; L889-N918 WeakPolarHBondContact CD1-OD1 3.47Å; L889-N918 PolarHBondContact N-OD1 2.94Å; L889-L922 HydrophobicContact CD2-CD2 3.83Å |
| 890 | K | 92.5 | Very high | 89 | Confident | 62 Ų | 62 | 17.7 Ų | 17.7 | 27% | 0.27 | 9% | 0.09 | S | C | . | . | H | α-helix | trans | -58.6 | -44.3 | 176.5 | -69.9 | -178.6 | -63 | 176.9 | 0 | 111 | E14 A849 A886 T887 Q888 T894 | E14-K890 IonicContact OE1-NZ 3.09Å; E14-K890 PolarHBondContact OE1-NZ 2.9Å; A849-K890 HydrophobicContact CB-CD 3.89Å; A849-K890 HydrophobicContact CB-CG 3.92Å; A886-K890 PolarHBondContact O-N 2.9Å; T887-K890 WeakPolarHBondContact O-CB 3.27Å; T887-K890 PolarHBondContact O-N 3.3Å; Q888-K890 PolarHBondContact O-N 3.4Å; K890-T894 WeakPolarHBondContact O-CB 3.45Å; K890-T894 PolarHBondContact O-N 3.36Å; K890-T894 VanDerWaalsContact O-N 3.09Å; K890-T894 PolarHBondContact O-OG1 2.82Å |
| 891 | I | 87.9 | Confident | 88.2 | Confident | 2 Ų | 2 | 16.5 Ų | 16.5 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -69.5 | -49.9 | -177.9 | -59 | 169.5 | 0 | 0 | 0 | 110.4 | F4 L13 E14 A17 L115 T887 Q888 L889 S893 T894 V895 | F4-I891 HydrophobicContact CD1-CD1 3.97Å; F4-I891 HydrophobicContact CE1-CB 4Å; F4-I891 HydrophobicContact CE1-CD1 3.37Å; F4-I891 HydrophobicContact CE1-CG1 4.26Å; F4-I891 HydrophobicContact CE1-CG2 3.71Å; F4-I891 HydrophobicContact CZ-CB 3.77Å; F4-I891 HydrophobicContact CZ-CD1 4.04Å; F4-I891 HydrophobicContact CZ-CG2 3.48Å; F4-I891 VanDerWaalsContact CZ-CG2 3.48Å; L13-I891 HydrophobicContact CB-CD1 4.34Å; E14-I891 HydrophobicContact CB-CD1 4.36Å; A17-I891 HydrophobicContact CB-CB 4.14Å; A17-I891 HydrophobicContact CB-CG1 3.73Å; A17-I891 HydrophobicContact CB-CG2 3.84Å; L115-I891 HydrophobicContact CD1-CG2 4.43Å; T887-I891 HydrophobicContact CG2-CD1 4.12Å; T887-I891 WeakPolarHBondContact O-CG1 3.39Å; T887-I891 PolarHBondContact O-N 3.35Å; T887-I891 VanDerWaalsContact O-N 3.15Å; Q888-I891 PolarHBondContact O-N 2.92Å; L889-I891 VanDerWaalsContact C-N 3.31Å; L889-I891 PolarHBondContact O-N 3.1Å; I891-S893 VanDerWaalsContact C-N 3.33Å; I891-S893 PolarHBondContact O-N 3.4Å; I891-T894 WeakPolarHBondContact O-CA 3.23Å; I891-T894 WeakPolarHBondContact O-CB 3.31Å; I891-T894 PolarHBondContact O-N 3.29Å; I891-T894 VanDerWaalsContact O-N 3.09Å; I891-V895 WeakPolarHBondContact O-CG2 3.47Å; I891-V895 PolarHBondContact O-N 3.17Å |
| 892 | L | 90.1 | Very high | 87.5 | Confident | 5 Ų | 5 | 16.8 Ų | 16.8 | 3% | 0.026 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.8 | -39.5 | 179.2 | -69.8 | 169.4 | 0 | 0 | 0 | 112.1 | M1 P2 F4 Q888 T894 V895 K896 Q914 L915 N918 | M1-L892 HydrophobicContact CE-CD2 4.33Å; P2-L892 HydrophobicContact CG-CD2 4Å; F4-L892 HydrophobicContact CE2-CD2 4.23Å; F4-L892 HydrophobicContact CE2-CG 4.18Å; Q888-L892 WeakPolarHBondContact O-CB 3.29Å; Q888-L892 WeakPolarHBondContact O-CG 2.85Å; Q888-L892 PolarHBondContact O-N 3.04Å; L892-T894 VanDerWaalsContact C-N 3.3Å; L892-T894 PolarHBondContact O-N 3.5Å; L892-V895 PolarHBondContact O-N 2.63Å; L892-K896 PolarHBondContact O-N 3.18Å; L892-Q914 HydrophobicContact CD1-CB 4.48Å; L892-Q914 HydrophobicContact CD2-CB 3.9Å; L892-L915 HydrophobicContact CB-CB 4.44Å; L892-L915 HydrophobicContact CB-CD1 3.77Å; L892-N918 HydrophobicContact CD1-CB 3.59Å |
| 893 | S | 92.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.6 | -35.4 | 175.1 | -57.6 | 0 | 0 | 0 | 0 | 111.8 | A845 L889 I891 K896 A897 | A845-S893 VanDerWaalsContact CB-CB 3.46Å; A845-S893 WeakPolarHBondContact CB-OG 2.88Å; L889-S893 WeakPolarHBondContact O-CB 3.42Å; L889-S893 PolarHBondContact O-N 3.1Å; L889-S893 PolarHBondContact O-OG 3.01Å; I891-S893 VanDerWaalsContact C-N 3.33Å; I891-S893 PolarHBondContact O-N 3.4Å; S893-K896 PolarHBondContact O-N 3.32Å; S893-A897 WeakPolarHBondContact O-CB 3.32Å; S893-A897 PolarHBondContact O-N 3.3Å |
| 894 | T | 90.6 | Very high | 85.4 | Confident | 7 Ų | 7 | 21.8 Ų | 21.8 | 4% | 0.043 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.9 | -43.1 | 173.5 | -58.1 | 0 | 0 | 0 | 0 | 111.2 | V20 K890 I891 L892 A897 T898 | V20-T894 HydrophobicContact CB-CG2 4.27Å; V20-T894 HydrophobicContact CG1-CG2 3.86Å; K890-T894 WeakPolarHBondContact O-CB 3.45Å; K890-T894 PolarHBondContact O-N 3.36Å; K890-T894 VanDerWaalsContact O-N 3.09Å; K890-T894 PolarHBondContact O-OG1 2.82Å; I891-T894 WeakPolarHBondContact O-CA 3.23Å; I891-T894 WeakPolarHBondContact O-CB 3.31Å; I891-T894 PolarHBondContact O-N 3.29Å; I891-T894 VanDerWaalsContact O-N 3.09Å; L892-T894 VanDerWaalsContact C-N 3.3Å; L892-T894 PolarHBondContact O-N 3.5Å; T894-A897 PolarHBondContact O-N 2.74Å; T894-T898 WeakPolarHBondContact O-CG2 3.25Å; T894-T898 PolarHBondContact O-N 2.96Å |
| 895 | V | 88.6 | Confident | 85.1 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.1 | -50.2 | 173.4 | 176.8 | 0 | 0 | 0 | 0 | 110.4 | P2 L115 I891 L892 A897 T898 M899 A911 | P2-V895 HydrophobicContact CG-CG2 4.09Å; L115-V895 HydrophobicContact CD2-CG2 3.45Å; L115-V895 VanDerWaalsContact CD2-CG2 3.45Å; L115-V895 HydrophobicContact CG-CG2 4.24Å; I891-V895 WeakPolarHBondContact O-CG2 3.47Å; I891-V895 PolarHBondContact O-N 3.17Å; L892-V895 PolarHBondContact O-N 2.63Å; V895-A897 VanDerWaalsContact C-N 3.29Å; V895-A897 PolarHBondContact O-N 2.9Å; V895-T898 PolarHBondContact O-N 3.02Å; V895-T898 VanDerWaalsContact O-N 3.08Å; V895-T898 PolarHBondContact O-OG1 2.9Å; V895-M899 HydrophobicContact CG1-CE 3.89Å; V895-M899 HydrophobicContact CG1-SD 4.19Å; V895-M899 PolarHBondContact O-N 3.21Å; V895-A911 HydrophobicContact CG1-CB 4.23Å |
| 896 | K | 88.7 | Confident | 84.7 | Confident | 4 Ų | 4 | 29.6 Ų | 29.6 | 2% | 0.017 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.5 | -39.4 | 179.5 | -173.9 | 60.4 | 171.7 | -179 | 0 | 112 | V831 L841 L892 S893 T898 M899 L900 D908 L915 | V831-K896 HydrophobicContact CB-CG 4.48Å; V831-K896 HydrophobicContact CG1-CG 4.45Å; V831-K896 VanDerWaalsContact O-CE 3.22Å; V831-K896 WeakPolarHBondContact O-CE 3.48Å; L841-K896 HydrophobicContact CD2-CB 4.22Å; L841-K896 HydrophobicContact CD2-CG 4.1Å; L892-K896 PolarHBondContact O-N 3.18Å; S893-K896 PolarHBondContact O-N 3.32Å; K896-T898 VanDerWaalsContact C-N 3.28Å; K896-T898 PolarHBondContact O-N 2.7Å; K896-M899 WeakPolarHBondContact O-CA 3.47Å; K896-M899 PolarHBondContact O-N 3.47Å; K896-L900 PolarHBondContact O-N 3.06Å; K896-D908 PolarHBondContact NZ-O 3.49Å; K896-D908 IonicContact NZ-OD1 3.89Å; K896-D908 PolarHBondContact NZ-OD1 3.26Å; K896-D908 IonicContact NZ-OD2 3.78Å; K896-D908 PolarHBondContact NZ-OD2 2.92Å; K896-L915 HydrophobicContact CB-CD2 4.19Å; K896-L915 HydrophobicContact CG-CD2 4.23Å |
| 897 | A | 89.7 | Confident | 84.1 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.7 | -39.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | V24 K838 L841 I842 S893 T894 V895 M899 L900 | V24-A897 HydrophobicContact CG1-CB 4.15Å; K838-A897 HydrophobicContact CB-CB 4.35Å; K838-A897 WeakPolarHBondContact CD-O 3.47Å; L841-A897 HydrophobicContact CD2-CB 4.03Å; I842-A897 HydrophobicContact CD1-CB 3.98Å; I842-A897 HydrophobicContact CG1-CB 3.91Å; S893-A897 WeakPolarHBondContact O-CB 3.32Å; S893-A897 PolarHBondContact O-N 3.3Å; T894-A897 PolarHBondContact O-N 2.74Å; V895-A897 VanDerWaalsContact C-N 3.29Å; V895-A897 PolarHBondContact O-N 2.9Å; A897-M899 PolarHBondContact O-N 2.95Å; A897-M899 VanDerWaalsContact O-N 3.17Å; A897-L900 PolarHBondContact O-N 3.48Å |
| 898 | T | 86.5 | Confident | 83.9 | Confident | 5 Ų | 5 | 33 Ų | 33 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -8.3 | 175 | 68.5 | 0 | 0 | 0 | 0 | 114.4 | V20 V24 R112 T894 V895 K896 | V20-T898 HydrophobicContact CG1-CG2 4.13Å; V24-T898 HydrophobicContact CG2-CG2 3.56Å; R112-T898 HydrophobicContact CB-CG2 4.22Å; R112-T898 WeakPolarHBondContact CD-OG1 3.41Å; R112-T898 WeakPolarHBondContact CG-OG1 3.19Å; R112-T898 PolarHBondContact NH1-O 3.36Å; R112-T898 VanDerWaalsContact NH1-O 3.16Å; T894-T898 WeakPolarHBondContact O-CG2 3.25Å; T894-T898 PolarHBondContact O-N 2.96Å; V895-T898 PolarHBondContact O-N 3.02Å; V895-T898 VanDerWaalsContact O-N 3.08Å; V895-T898 PolarHBondContact O-OG1 2.9Å; K896-T898 VanDerWaalsContact C-N 3.28Å; K896-T898 PolarHBondContact O-N 2.7Å |
| 899 | M | 84.8 | Confident | 83.7 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | -6.1 | -177 | -63.3 | 175.9 | 171 | 0 | 0 | 113.8 | V895 K896 A897 G901 S902 E907 D908 A911 | V895-M899 HydrophobicContact CG1-CE 3.89Å; V895-M899 HydrophobicContact CG1-SD 4.19Å; V895-M899 PolarHBondContact O-N 3.21Å; K896-M899 WeakPolarHBondContact O-CA 3.47Å; K896-M899 PolarHBondContact O-N 3.47Å; A897-M899 PolarHBondContact O-N 2.95Å; A897-M899 VanDerWaalsContact O-N 3.17Å; M899-G901 PolarHBondContact O-N 3.03Å; M899-S902 CarbonylContact O-C 3.53Å; M899-S902 PolarHBondContact O-N 3.45Å; M899-E907 HydrophobicContact CE-CB 3.87Å; M899-D908 HydrophobicContact CB-CB 4.45Å; M899-D908 VanDerWaalsContact CB-OD1 3.29Å; M899-D908 WeakPolarHBondContact CB-OD1 3.23Å; M899-D908 HydrophobicContact SD-CB 4.3Å; M899-A911 HydrophobicContact CE-CB 4.48Å; M899-A911 HydrophobicContact SD-CB 3.75Å |
| 900 | L | 81.2 | Confident | 83.2 | Confident | 27 Ų | 27 | 42.2 Ų | 42.2 | 14% | 0.141 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -18.3 | -176.8 | -80.3 | 172.1 | 0 | 0 | 0 | 114.8 | K838 L841 K896 A897 | K838-L900 HydrophobicContact CB-CD1 4.5Å; K838-L900 HydrophobicContact CG-CB 4.35Å; K838-L900 HydrophobicContact CG-CD1 4.09Å; L841-L900 HydrophobicContact CD2-CD1 3.8Å; L841-L900 HydrophobicContact CD2-CG 4.43Å; K896-L900 PolarHBondContact O-N 3.06Å; A897-L900 PolarHBondContact O-N 3.48Å |
| 901 | G | 71.3 | Confident | 82.8 | Confident | 71 Ų | 71 | 39.3 Ų | 39.3 | 73% | 0.732 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | 2.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | M899 | M899-G901 PolarHBondContact O-N 3.03Š|
| 902 | S | 70.4 | Confident | 82.8 | Confident | 49 Ų | 49 | 41.6 Ų | 41.6 | 34% | 0.343 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -129.6 | 32.9 | -177.3 | -52.1 | 0 | 0 | 0 | 0 | 111.2 | M899 T905 | M899-S902 CarbonylContact O-C 3.53Å; M899-S902 PolarHBondContact O-N 3.45Å; S902-T905 PolarHBondContact O-OG1 3.28Å |
| 903 | Q | 68.9 | Low | 82.6 | Confident | 105 Ų | 105 | 47.2 Ų | 47.2 | 49% | 0.491 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 141 | -176.7 | -65.9 | -174.1 | -11.4 | 0 | 0 | 111.9 | R832 | R832-Q903 PolarHBondContact O-NE2 3.35Š|
| 904 | G | 69.5 | Low | 82.3 | Confident | 58 Ų | 58 | 50.3 Ų | 50.3 | 60% | 0.598 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.4 | 9.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 905 | T | 80.7 | Confident | 82.3 | Confident | 63 Ų | 63 | 50 Ų | 50 | 39% | 0.387 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -80.5 | 151.2 | 163.2 | 59 | 0 | 0 | 0 | 0 | 110.2 | S902 E907 D908 E909 | S902-T905 PolarHBondContact O-OG1 3.28Å; T905-E907 PolarHBondContact O-N 3.42Å; T905-E907 VanDerWaalsContact O-N 3.16Å; T905-D908 WeakPolarHBondContact O-CB 3.43Å; T905-D908 PolarHBondContact O-N 3.11Å; T905-D908 WeakPolarHBondContact OG1-CB 3.25Å; T905-D908 PolarHBondContact OG1-N 3.33Å; T905-E909 PolarHBondContact O-N 3.35Å; T905-E909 VanDerWaalsContact O-N 3.13Å |
| 906 | D | 81.6 | Confident | 82.3 | Confident | 127 Ų | 127 | 50.8 Ų | 50.8 | 68% | 0.679 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -53.2 | -37.4 | 174.6 | -59.5 | -15.1 | 0 | 0 | 0 | 111.4 | D908 E909 E910 | D906-D908 VanDerWaalsContact C-N 3.33Å; D906-D908 PolarHBondContact O-N 3.43Å; D906-E909 PolarHBondContact O-N 2.97Å; D906-E910 WeakPolarHBondContact O-CG 3.49Å; D906-E910 PolarHBondContact O-N 2.95Å |
| 907 | E | 80.8 | Confident | 82.2 | Confident | 81 Ų | 81 | 53.2 Ų | 53.2 | 38% | 0.379 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.9 | -36.8 | 175.5 | -62.3 | -172.8 | -174.4 | 0 | 0 | 113.4 | Q116 M899 T905 A911 | Q116-E907 PolarHBondContact NE2-OE2 3.01Å; Q116-E907 VanDerWaalsContact NE2-OE2 3.09Å; M899-E907 HydrophobicContact CE-CB 3.87Å; T905-E907 PolarHBondContact O-N 3.42Å; T905-E907 VanDerWaalsContact O-N 3.16Å; E907-A911 VanDerWaalsContact O-CB 3.25Å; E907-A911 WeakPolarHBondContact O-CB 3.49Å; E907-A911 PolarHBondContact O-N 3.34Å |
| 908 | D | 84.8 | Confident | 82.2 | Confident | 11 Ų | 11 | 53.5 Ų | 53.5 | 6% | 0.059 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -73.7 | -35.6 | 178.9 | -174.9 | 67.3 | 0 | 0 | 0 | 111.8 | K896 M899 T905 D906 M912 | K896-D908 PolarHBondContact NZ-O 3.49Å; K896-D908 IonicContact NZ-OD1 3.89Å; K896-D908 PolarHBondContact NZ-OD1 3.26Å; K896-D908 IonicContact NZ-OD2 3.78Å; K896-D908 PolarHBondContact NZ-OD2 2.92Å; M899-D908 HydrophobicContact CB-CB 4.45Å; M899-D908 VanDerWaalsContact CB-OD1 3.29Å; M899-D908 WeakPolarHBondContact CB-OD1 3.23Å; M899-D908 HydrophobicContact SD-CB 4.3Å; T905-D908 WeakPolarHBondContact O-CB 3.43Å; T905-D908 PolarHBondContact O-N 3.11Å; T905-D908 WeakPolarHBondContact OG1-CB 3.25Å; T905-D908 PolarHBondContact OG1-N 3.33Å; D906-D908 VanDerWaalsContact C-N 3.33Å; D906-D908 PolarHBondContact O-N 3.43Å; D908-M912 WeakPolarHBondContact O-CB 3.47Å; D908-M912 PolarHBondContact O-N 3.07Å |
| 909 | E | 84.9 | Confident | 82.4 | Confident | 110 Ų | 110 | 53.2 Ų | 53.2 | 51% | 0.514 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.1 | -47 | 174.5 | -67.3 | -166 | 171.3 | 0 | 0 | 111.4 | T905 D906 A911 M912 Q913 | T905-E909 PolarHBondContact O-N 3.35Å; T905-E909 VanDerWaalsContact O-N 3.13Å; D906-E909 PolarHBondContact O-N 2.97Å; E909-A911 VanDerWaalsContact C-N 3.34Å; E909-A911 PolarHBondContact O-N 2.86Å; E909-M912 WeakPolarHBondContact O-CB 3.38Å; E909-M912 PolarHBondContact O-N 3.35Å; E909-Q913 WeakPolarHBondContact O-CG 3.37Å; E909-Q913 PolarHBondContact O-N 3.06Å |
| 910 | E | 81.9 | Confident | 82.6 | Confident | 97 Ų | 97 | 56.8 Ų | 56.8 | 45% | 0.453 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.4 | -41.8 | 174.4 | -70.9 | -178.3 | -173.4 | 0 | 0 | 111.7 | M1 D906 M912 Q913 Q914 | M1-E910 HydrophobicContact CG-CB 3.77Å; M1-E910 WeakPolarHBondContact CG-OE2 3.41Å; M1-E910 HydrophobicContact SD-CB 4.39Å; D906-E910 WeakPolarHBondContact O-CG 3.49Å; D906-E910 PolarHBondContact O-N 2.95Å; E910-M912 VanDerWaalsContact C-N 3.32Å; E910-M912 PolarHBondContact O-N 3.36Å; E910-Q913 PolarHBondContact O-N 2.77Å; E910-Q914 WeakPolarHBondContact O-CG 3.44Å; E910-Q914 PolarHBondContact O-N 2.95Å |
| 911 | A | 84.5 | Confident | 82.9 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 2% | 0.017 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.3 | -39.9 | 173 | 0 | 0 | 0 | 0 | 0 | 113.6 | M1 V895 M899 E907 E909 L915 | M1-A911 HydrophobicContact CE-CB 3.7Å; M1-A911 HydrophobicContact SD-CB 4.05Å; V895-A911 HydrophobicContact CG1-CB 4.23Å; M899-A911 HydrophobicContact CE-CB 4.48Å; M899-A911 HydrophobicContact SD-CB 3.75Å; E907-A911 VanDerWaalsContact O-CB 3.25Å; E907-A911 WeakPolarHBondContact O-CB 3.49Å; E907-A911 PolarHBondContact O-N 3.34Å; E909-A911 VanDerWaalsContact C-N 3.34Å; E909-A911 PolarHBondContact O-N 2.86Å; A911-L915 VanDerWaalsContact O-CB 3.29Å; A911-L915 WeakPolarHBondContact O-CB 3.48Å; A911-L915 PolarHBondContact O-N 3.44Å; A911-L915 VanDerWaalsContact O-N 3.1Å |
| 912 | M | 88.1 | Confident | 83.9 | Confident | 50 Ų | 50 | 53.2 Ų | 53.2 | 25% | 0.246 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.2 | -47 | 173.7 | -169.1 | 64.2 | 139.3 | 0 | 0 | 111.2 | V831 R832 D908 E909 E910 Q914 L915 V916 | V831-M912 HydrophobicContact CB-CE 4.2Å; V831-M912 HydrophobicContact CB-SD 4.17Å; V831-M912 HydrophobicContact CG2-CE 3.72Å; V831-M912 HydrophobicContact CG2-SD 4.12Å; R832-M912 HydrophobicContact CG-CE 4.21Å; D908-M912 WeakPolarHBondContact O-CB 3.47Å; D908-M912 PolarHBondContact O-N 3.07Å; E909-M912 WeakPolarHBondContact O-CB 3.38Å; E909-M912 PolarHBondContact O-N 3.35Å; E910-M912 VanDerWaalsContact C-N 3.32Å; E910-M912 PolarHBondContact O-N 3.36Å; M912-Q914 PolarHBondContact O-N 2.78Å; M912-L915 PolarHBondContact O-N 2.85Å; M912-V916 HydrophobicContact CG-CG2 4.31Å; M912-V916 WeakPolarHBondContact O-CB 3.41Å; M912-V916 WeakPolarHBondContact O-CG2 3.34Å; M912-V916 PolarHBondContact O-N 3.41Å |
| 913 | Q | 85.7 | Confident | 85.1 | Confident | 123 Ų | 123 | 51.1 Ų | 51.1 | 58% | 0.575 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -59.9 | -45.8 | -179.2 | -71.7 | 174.4 | 8.2 | 0 | 0 | 112.4 | E909 E910 L915 V916 L917 | E909-Q913 WeakPolarHBondContact O-CG 3.37Å; E909-Q913 PolarHBondContact O-N 3.06Å; E910-Q913 PolarHBondContact O-N 2.77Å; Q913-L915 PolarHBondContact O-N 3.38Å; Q913-V916 WeakPolarHBondContact O-CB 3.28Å; Q913-V916 PolarHBondContact O-N 3.37Å; Q913-L917 PolarHBondContact O-N 3.44Å |
| 914 | Q | 85.1 | Confident | 86 | Confident | 64 Ų | 64 | 49.4 Ų | 49.4 | 30% | 0.299 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64 | -40.8 | 177.3 | -67.6 | -62.7 | -45.9 | 0 | 0 | 112 | M1 L892 E910 M912 L917 N918 | M1-Q914 HydrophobicContact CB-CG 4.45Å; M1-Q914 HydrophobicContact CE-CB 4.03Å; M1-Q914 HydrophobicContact CE-CG 3.9Å; L892-Q914 HydrophobicContact CD1-CB 4.48Å; L892-Q914 HydrophobicContact CD2-CB 3.9Å; E910-Q914 WeakPolarHBondContact O-CG 3.44Å; E910-Q914 PolarHBondContact O-N 2.95Å; M912-Q914 PolarHBondContact O-N 2.78Å; Q914-L917 PolarHBondContact O-N 2.92Å; Q914-N918 WeakPolarHBondContact O-CB 3.36Å; Q914-N918 PolarHBondContact O-N 2.74Å |
| 915 | L | 90.6 | Very high | 87 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.5 | -39 | 176.8 | -176.5 | 62.7 | 0 | 0 | 0 | 112 | I792 V831 L889 L892 K896 A911 M912 Q913 A919 | I792-L915 HydrophobicContact CD1-CG 4.44Å; V831-L915 HydrophobicContact CB-CD2 4.36Å; V831-L915 HydrophobicContact CG1-CD2 3.42Å; V831-L915 VanDerWaalsContact CG1-CD2 3.42Å; L889-L915 HydrophobicContact CD1-CD1 3.73Å; L892-L915 HydrophobicContact CB-CB 4.44Å; L892-L915 HydrophobicContact CB-CD1 3.77Å; K896-L915 HydrophobicContact CB-CD2 4.19Å; K896-L915 HydrophobicContact CG-CD2 4.23Å; A911-L915 VanDerWaalsContact O-CB 3.29Å; A911-L915 WeakPolarHBondContact O-CB 3.48Å; A911-L915 PolarHBondContact O-N 3.44Å; A911-L915 VanDerWaalsContact O-N 3.1Å; M912-L915 PolarHBondContact O-N 2.85Å; Q913-L915 PolarHBondContact O-N 3.38Å; L915-A919 VanDerWaalsContact O-CB 3.25Å; L915-A919 WeakPolarHBondContact O-CB 3.38Å; L915-A919 PolarHBondContact O-N 3.17Å |
| 916 | V | 89.5 | Confident | 87.7 | Confident | 19 Ų | 19 | 44 Ų | 44 | 12% | 0.115 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.6 | -52 | 175 | 166.6 | 0 | 0 | 0 | 0 | 110.7 | P791 I792 M912 Q913 N918 A919 Q920 | P791-V916 HydrophobicContact CB-CG1 3.56Å; P791-V916 HydrophobicContact CG-CB 4.2Å; P791-V916 HydrophobicContact CG-CG1 3.34Å; P791-V916 HydrophobicContact CG-CG2 3.72Å; I792-V916 HydrophobicContact CD1-CG2 3.93Å; I792-V916 HydrophobicContact CG1-CB 4.37Å; I792-V916 HydrophobicContact CG1-CG2 3.86Å; M912-V916 HydrophobicContact CG-CG2 4.31Å; M912-V916 WeakPolarHBondContact O-CB 3.41Å; M912-V916 WeakPolarHBondContact O-CG2 3.34Å; M912-V916 PolarHBondContact O-N 3.41Å; Q913-V916 WeakPolarHBondContact O-CB 3.28Å; Q913-V916 PolarHBondContact O-N 3.37Å; V916-N918 PolarHBondContact O-N 3.18Å; V916-A919 PolarHBondContact O-N 2.85Å; V916-Q920 WeakPolarHBondContact O-CG 3.32Å; V916-Q920 PolarHBondContact O-N 2.98Å; V916-Q920 PolarHBondContact O-OE1 3.1Å |
| 917 | L | 84.9 | Confident | 88.2 | Confident | 55 Ų | 55 | 39.3 Ų | 39.3 | 29% | 0.288 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.1 | -46.2 | -179.3 | -178.8 | 62.7 | 0 | 0 | 0 | 111.3 | Q913 Q914 A919 Q920 N921 | Q913-L917 PolarHBondContact O-N 3.44Å; Q914-L917 PolarHBondContact O-N 2.92Å; L917-A919 PolarHBondContact O-N 3.21Å; L917-Q920 PolarHBondContact O-N 3.41Å; L917-N921 WeakPolarHBondContact O-CB 3.44Å; L917-N921 VanDerWaalsContact O-CG 3.25Å; L917-N921 PolarHBondContact O-N 3.01Å |
| 918 | N | 89.6 | Confident | 88.6 | Confident | 5 Ų | 5 | 37.9 Ų | 37.9 | 3% | 0.027 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.4 | -42.4 | 177.2 | 179.7 | -89.5 | 0 | 0 | 0 | 112.2 | I885 Q888 L889 L892 Q914 V916 N921 L922 | I885-N918 WeakPolarHBondContact CG2-ND2 3.48Å; I885-N918 PolarHBondContact O-ND2 3.01Å; I885-N918 VanDerWaalsContact O-ND2 3.14Å; I885-N918 PolarHBondContact O-OD1 3.45Å; Q888-N918 WeakPolarHBondContact CB-ND2 3.31Å; Q888-N918 PolarHBondContact OE1-ND2 2.73Å; Q888-N918 VanDerWaalsContact OE1-ND2 3.08Å; L889-N918 VanDerWaalsContact CA-OD1 3.31Å; L889-N918 WeakPolarHBondContact CA-OD1 3.23Å; L889-N918 VanDerWaalsContact CB-OD1 3.24Å; L889-N918 WeakPolarHBondContact CB-OD1 3.43Å; L889-N918 VanDerWaalsContact CD1-OD1 3.28Å; L889-N918 WeakPolarHBondContact CD1-OD1 3.47Å; L889-N918 PolarHBondContact N-OD1 2.94Å; L892-N918 HydrophobicContact CD1-CB 3.59Å; Q914-N918 WeakPolarHBondContact O-CB 3.36Å; Q914-N918 PolarHBondContact O-N 2.74Å; V916-N918 PolarHBondContact O-N 3.18Å; N918-N921 PolarHBondContact O-N 3.27Å; N918-L922 PolarHBondContact O-N 3.22Å |
| 919 | A | 92.2 | Very high | 89 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.7 | -41.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I792 M824 L915 V916 L917 L922 M923 | I792-A919 HydrophobicContact CG1-CB 4.09Å; I792-A919 HydrophobicContact CG2-CB 4.24Å; M824-A919 HydrophobicContact CE-CB 3.9Å; M824-A919 HydrophobicContact SD-CB 3.72Å; L915-A919 VanDerWaalsContact O-CB 3.25Å; L915-A919 WeakPolarHBondContact O-CB 3.38Å; L915-A919 PolarHBondContact O-N 3.17Å; V916-A919 PolarHBondContact O-N 2.85Å; L917-A919 PolarHBondContact O-N 3.21Å; A919-L922 PolarHBondContact O-N 2.9Å; A919-M923 VanDerWaalsContact O-CG 3.31Å; A919-M923 WeakPolarHBondContact O-CG 3.27Å; A919-M923 PolarHBondContact O-N 3.46Å |
| 920 | Q | 89 | Confident | 89.4 | Confident | 76 Ų | 76 | 32.2 Ų | 32.2 | 36% | 0.355 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -61.3 | -48.7 | 174.3 | -74.2 | 171.1 | -60.4 | 0 | 0 | 111.1 | A795 V916 L917 L922 M923 Q924 | A795-Q920 HydrophobicContact CB-CG 4.02Å; V916-Q920 WeakPolarHBondContact O-CG 3.32Å; V916-Q920 PolarHBondContact O-N 2.98Å; V916-Q920 PolarHBondContact O-OE1 3.1Å; L917-Q920 PolarHBondContact O-N 3.41Å; Q920-L922 VanDerWaalsContact C-N 3.31Å; Q920-L922 PolarHBondContact O-N 3.03Å; Q920-M923 PolarHBondContact O-N 3.39Å; Q920-Q924 WeakPolarHBondContact O-CB 3.48Å; Q920-Q924 PolarHBondContact O-N 3.44Å |
| 921 | N | 86.8 | Confident | 89.7 | Confident | 23 Ų | 23 | 32.7 Ų | 32.7 | 12% | 0.123 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.5 | -40.1 | 178.1 | -70.7 | -10.6 | 0 | 0 | 0 | 112.3 | I885 L917 N918 S925 | I885-N921 HydrophobicContact CD1-CB 4.33Å; I885-N921 HydrophobicContact CG2-CB 4.43Å; L917-N921 WeakPolarHBondContact O-CB 3.44Å; L917-N921 VanDerWaalsContact O-CG 3.25Å; L917-N921 PolarHBondContact O-N 3.01Å; N918-N921 PolarHBondContact O-N 3.27Å; N921-S925 VanDerWaalsContact O-CB 3.31Å; N921-S925 WeakPolarHBondContact O-CB 3.44Å; N921-S925 PolarHBondContact O-N 3.31Å; N921-S925 PolarHBondContact O-OG 3.06Å |
| 922 | L | 93.4 | Very high | 90 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.4 | -49.5 | 177.1 | -173.2 | 57.8 | 0 | 0 | 0 | 111.5 | M820 M824 I848 I882 I885 L889 N918 A919 Q920 Q924 S925 V926 | M820-L922 HydrophobicContact CE-CD1 4.29Å; M820-L922 HydrophobicContact CE-CD2 4.1Å; M820-L922 HydrophobicContact CE-CG 4.08Å; M824-L922 HydrophobicContact CE-CD2 4.2Å; I848-L922 HydrophobicContact CG2-CD2 3.59Å; I882-L922 HydrophobicContact CG2-CD1 4.04Å; I885-L922 HydrophobicContact CB-CD1 4.22Å; I885-L922 HydrophobicContact CG2-CB 3.62Å; I885-L922 HydrophobicContact CG2-CD1 4.03Å; I885-L922 HydrophobicContact CG2-CG 4.33Å; L889-L922 HydrophobicContact CD2-CD2 3.83Å; N918-L922 PolarHBondContact O-N 3.22Å; A919-L922 PolarHBondContact O-N 2.9Å; Q920-L922 VanDerWaalsContact C-N 3.31Å; Q920-L922 PolarHBondContact O-N 3.03Å; L922-Q924 VanDerWaalsContact C-N 3.3Å; L922-Q924 PolarHBondContact O-N 3.02Å; L922-S925 PolarHBondContact O-N 2.94Å; L922-V926 HydrophobicContact CD1-CG2 4.36Å; L922-V926 WeakPolarHBondContact O-CG2 3.46Å; L922-V926 PolarHBondContact O-N 3.41Å |
| 923 | M | 93.8 | Very high | 90.2 | Very high | 5 Ų | 5 | 31.2 Ų | 31.2 | 3% | 0.025 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.9 | -37.3 | -179.2 | -66.1 | -59.4 | 90.8 | 0 | 0 | 111.8 | A795 L799 M820 M824 A919 Q920 K927 | A795-M923 HydrophobicContact CB-CB 4.07Å; A795-M923 HydrophobicContact CB-CG 3.87Å; L799-M923 HydrophobicContact CB-CB 4.34Å; L799-M923 HydrophobicContact CB-SD 4.15Å; L799-M923 HydrophobicContact CD2-CE 4.16Å; L799-M923 HydrophobicContact CD2-SD 3.46Å; L799-M923 WeakPolarHBondContact CD2-SD 3.35Å; L799-M923 HydrophobicContact CG-SD 4.45Å; M820-M923 HydrophobicContact CB-CE 4.41Å; M820-M923 HydrophobicContact CE-CE 3.9Å; M824-M923 HydrophobicContact CB-CE 4.36Å; M824-M923 HydrophobicContact CB-SD 3.74Å; M824-M923 HydrophobicContact CE-CE 3.55Å; M824-M923 HydrophobicContact CE-CG 4.23Å; M824-M923 HydrophobicContact CE-SD 4.15Å; M824-M923 HydrophobicContact CG-CE 4.42Å; M824-M923 HydrophobicContact CG-CG 3.93Å; M824-M923 HydrophobicContact CG-SD 3.78Å; A919-M923 VanDerWaalsContact O-CG 3.31Å; A919-M923 WeakPolarHBondContact O-CG 3.27Å; A919-M923 PolarHBondContact O-N 3.46Å; Q920-M923 PolarHBondContact O-N 3.39Å; M923-K927 VanDerWaalsContact O-CB 3.3Å; M923-K927 WeakPolarHBondContact O-CB 3.5Å; M923-K927 PolarHBondContact O-N 3.29Å |
| 924 | Q | 88.5 | Confident | 90.4 | Very high | 69 Ų | 69 | 28.2 Ų | 28.2 | 32% | 0.322 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -69.1 | -44.9 | 176.4 | -172.2 | 51.9 | 45 | 0 | 0 | 111.6 | Q920 L922 V926 K927 D928 | Q920-Q924 WeakPolarHBondContact O-CB 3.48Å; Q920-Q924 PolarHBondContact O-N 3.44Å; L922-Q924 VanDerWaalsContact C-N 3.3Å; L922-Q924 PolarHBondContact O-N 3.02Å; Q924-V926 VanDerWaalsContact C-N 3.32Å; Q924-V926 PolarHBondContact O-N 3.46Å; Q924-K927 WeakPolarHBondContact O-CB 3.43Å; Q924-K927 PolarHBondContact O-N 3.14Å; Q924-K927 VanDerWaalsContact O-N 3.15Å; Q924-D928 PolarHBondContact NE2-OD1 2.98Å; Q924-D928 PolarHBondContact NE2-OD2 3.42Å; Q924-D928 PolarHBondContact O-N 3.03Å |
| 925 | S | 90.6 | Very high | 90.5 | Very high | 6 Ų | 6 | 26.7 Ų | 26.7 | 4% | 0.042 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.7 | -39.8 | 176.6 | -60.2 | 0 | 0 | 0 | 0 | 112.5 | I885 N921 L922 T929 | I885-S925 WeakPolarHBondContact CD1-OG 3.46Å; N921-S925 VanDerWaalsContact O-CB 3.31Å; N921-S925 WeakPolarHBondContact O-CB 3.44Å; N921-S925 PolarHBondContact O-N 3.31Å; N921-S925 PolarHBondContact O-OG 3.06Å; L922-S925 PolarHBondContact O-N 2.94Å; S925-T929 WeakPolarHBondContact O-CB 3.38Å; S925-T929 PolarHBondContact O-N 2.92Å; S925-T929 PolarHBondContact O-OG1 2.86Å |
| 926 | V | 95.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.3 | -42.7 | 175.7 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | L799 A817 M820 V855 I882 L922 Q924 D928 T929 V930 | L799-V926 HydrophobicContact CD1-CB 4.37Å; L799-V926 HydrophobicContact CD1-CG1 3.89Å; L799-V926 HydrophobicContact CD2-CB 4.38Å; L799-V926 HydrophobicContact CD2-CG1 3.96Å; A817-V926 HydrophobicContact CB-CG1 3.87Å; M820-V926 HydrophobicContact CE-CG2 3.5Å; M820-V926 VanDerWaalsContact CE-CG2 3.5Å; M820-V926 HydrophobicContact SD-CG1 4.08Å; M820-V926 HydrophobicContact SD-CG2 3.78Å; V855-V926 HydrophobicContact CG1-CG1 4.46Å; I882-V926 HydrophobicContact CD1-CG2 4.05Å; I882-V926 HydrophobicContact CG1-CG2 4.48Å; L922-V926 HydrophobicContact CD1-CG2 4.36Å; L922-V926 WeakPolarHBondContact O-CG2 3.46Å; L922-V926 PolarHBondContact O-N 3.41Å; Q924-V926 VanDerWaalsContact C-N 3.32Å; Q924-V926 PolarHBondContact O-N 3.46Å; V926-D928 VanDerWaalsContact C-N 3.35Å; V926-D928 PolarHBondContact O-N 2.93Å; V926-T929 WeakPolarHBondContact O-CB 3.23Å; V926-T929 PolarHBondContact O-N 3.18Å; V926-V930 WeakPolarHBondContact O-CG2 3.38Å; V926-V930 PolarHBondContact O-N 3.21Å |
| 927 | K | 91.4 | Very high | 90.4 | Very high | 30 Ų | 30 | 26.9 Ų | 26.9 | 13% | 0.13 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59 | -45.7 | 176.3 | -175.2 | -176.4 | 177.4 | 178.7 | 0 | 111.6 | S798 L799 E802 M923 Q924 V930 R931 | S798-K927 PolarHBondContact OG-NZ 2.95Å; L799-K927 HydrophobicContact CD1-CB 4.06Å; E802-K927 HydrophobicContact CB-CD 4.4Å; E802-K927 HydrophobicContact CB-CG 3.93Å; E802-K927 HydrophobicContact CG-CG 3.79Å; E802-K927 WeakPolarHBondContact OE2-CE 3.37Å; M923-K927 VanDerWaalsContact O-CB 3.3Å; M923-K927 WeakPolarHBondContact O-CB 3.5Å; M923-K927 PolarHBondContact O-N 3.29Å; Q924-K927 WeakPolarHBondContact O-CB 3.43Å; Q924-K927 PolarHBondContact O-N 3.14Å; Q924-K927 VanDerWaalsContact O-N 3.15Å; K927-V930 PolarHBondContact O-N 3.41Å; K927-R931 WeakPolarHBondContact O-CG 3.36Å; K927-R931 PolarHBondContact O-N 2.98Å; K927-R931 VanDerWaalsContact O-N 3.1Å |
| 928 | D | 88.9 | Confident | 90.4 | Very high | 51 Ų | 51 | 28.7 Ų | 28.7 | 27% | 0.273 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -68.3 | -36.4 | 177.8 | -65.8 | -27.9 | 0 | 0 | 0 | 111.6 | V878 Q924 V926 R931 A932 | V878-D928 HydrophobicContact CG1-CB 4.44Å; Q924-D928 PolarHBondContact NE2-OD1 2.98Å; Q924-D928 PolarHBondContact NE2-OD2 3.42Å; Q924-D928 PolarHBondContact O-N 3.03Å; V926-D928 VanDerWaalsContact C-N 3.35Å; V926-D928 PolarHBondContact O-N 2.93Å; D928-R931 PolarHBondContact O-N 2.98Å; D928-A932 WeakPolarHBondContact O-CB 3.46Å; D928-A932 PolarHBondContact O-N 2.93Å |
| 929 | T | 93.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.3 | -42 | 171.8 | -61.3 | 0 | 0 | 0 | 0 | 112.2 | V855 A859 L875 C879 I882 S925 V926 R931 A932 A933 | V855-T929 HydrophobicContact CG1-CG2 3.98Å; A859-T929 HydrophobicContact CB-CG2 3.65Å; L875-T929 HydrophobicContact CD1-CG2 4.1Å; C879-T929 HydrophobicContact CB-CG2 3.87Å; I882-T929 HydrophobicContact CD1-CG2 4.37Å; I882-T929 WeakPolarHBondContact CD1-OG1 3.24Å; S925-T929 WeakPolarHBondContact O-CB 3.38Å; S925-T929 PolarHBondContact O-N 2.92Å; S925-T929 PolarHBondContact O-OG1 2.86Å; V926-T929 WeakPolarHBondContact O-CB 3.23Å; V926-T929 PolarHBondContact O-N 3.18Å; T929-R931 PolarHBondContact O-N 3.15Å; T929-A932 PolarHBondContact O-N 2.57Å; T929-A933 WeakPolarHBondContact O-CB 3.34Å; T929-A933 PolarHBondContact O-N 3.1Å |
| 930 | V | 93.2 | Very high | 89.6 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62 | -43 | 175.6 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | V803 I813 A817 V926 K927 A933 E934 W950 | V803-V930 HydrophobicContact CG1-CG2 4.32Å; I813-V930 HydrophobicContact CG2-CG2 4.15Å; A817-V930 HydrophobicContact CB-CG2 3.89Å; V926-V930 WeakPolarHBondContact O-CG2 3.38Å; V926-V930 PolarHBondContact O-N 3.21Å; K927-V930 PolarHBondContact O-N 3.41Å; V930-A933 PolarHBondContact O-N 2.98Å; V930-E934 PolarHBondContact O-N 2.84Å; V930-W950 HydrophobicContact CG1-CH2 3.94Å; V930-W950 HydrophobicContact CG1-CZ3 3.95Å; V930-W950 VanDerWaalsContact O-CH2 3.29Å; V930-W950 WeakPolarHBondContact O-CH2 3.46Å |
| 931 | R | 89.8 | Confident | 89.1 | Confident | 107 Ų | 107 | 34.9 Ų | 34.9 | 40% | 0.404 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -66.7 | -45.5 | 177.4 | -71.1 | 173 | 172.2 | -179.8 | -4 | 112.3 | E802 K927 D928 T929 A933 E934 A935 | E802-R931 VanDerWaalsContact CD-NE 3.3Å; E802-R931 IonicContact OE1-NE 3.04Å; E802-R931 PolarHBondContact OE1-NE 2.93Å; E802-R931 IonicContact OE1-NH2 3.43Å; E802-R931 IonicContact OE2-CZ 2.89Å; E802-R931 IonicContact OE2-NE 2.69Å; E802-R931 PolarHBondContact OE2-NE 3.26Å; E802-R931 IonicContact OE2-NH2 3.23Å; E802-R931 PolarHBondContact OE2-NH2 3.31Å; K927-R931 WeakPolarHBondContact O-CG 3.36Å; K927-R931 PolarHBondContact O-N 2.98Å; K927-R931 VanDerWaalsContact O-N 3.1Å; D928-R931 PolarHBondContact O-N 2.98Å; T929-R931 PolarHBondContact O-N 3.15Å; R931-A933 VanDerWaalsContact C-N 3.3Å; R931-A933 PolarHBondContact O-N 3.08Å; R931-E934 PolarHBondContact O-N 2.91Å; R931-A935 PolarHBondContact O-N 3.08Å |
| 932 | A | 89.9 | Confident | 88.3 | Confident | 21 Ų | 21 | 40.9 Ų | 40.9 | 17% | 0.174 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.6 | -36.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L875 V878 D928 T929 A935 A936 | L875-A932 HydrophobicContact CB-CB 4.23Å; L875-A932 HydrophobicContact CD1-CB 3.8Å; V878-A932 HydrophobicContact CG2-CB 3.94Å; D928-A932 WeakPolarHBondContact O-CB 3.46Å; D928-A932 PolarHBondContact O-N 2.93Å; T929-A932 PolarHBondContact O-N 2.57Å; A932-A935 PolarHBondContact O-N 3.31Å; A932-A936 VanDerWaalsContact O-CB 3.26Å; A932-A936 WeakPolarHBondContact O-CB 3.36Å; A932-A936 PolarHBondContact O-N 2.84Å |
| 933 | A | 92.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.5 | -42.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | I813 L862 L875 T929 V930 R931 A935 A936 S937 W950 | I813-A933 HydrophobicContact CD1-CB 3.95Å; L862-A933 HydrophobicContact CD2-CB 3.63Å; L862-A933 VanDerWaalsContact CD2-O 3.29Å; L862-A933 WeakPolarHBondContact CD2-O 3.37Å; L875-A933 HydrophobicContact CD1-CB 4.21Å; T929-A933 WeakPolarHBondContact O-CB 3.34Å; T929-A933 PolarHBondContact O-N 3.1Å; V930-A933 PolarHBondContact O-N 2.98Å; R931-A933 VanDerWaalsContact C-N 3.3Å; R931-A933 PolarHBondContact O-N 3.08Å; A933-A935 VanDerWaalsContact C-N 3.33Å; A933-A935 PolarHBondContact O-N 2.83Å; A933-A936 PolarHBondContact O-N 3.41Å; A933-S937 VanDerWaalsContact O-CB 3.3Å; A933-S937 WeakPolarHBondContact O-CB 3.49Å; A933-S937 PolarHBondContact O-N 3.2Å; A933-W950 HydrophobicContact CB-CH2 4.28Å; A933-W950 HydrophobicContact CB-CZ2 3.92Å |
| 934 | E | 90.4 | Very high | 86.4 | Confident | 61 Ų | 61 | 47 Ų | 47 | 29% | 0.285 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57.5 | -48.9 | 173.4 | -174.5 | -121.9 | -179.7 | 0 | 0 | 110.8 | W806 V930 R931 S937 W950 | W806-E934 HydrophobicContact CH2-CG 3.83Å; W806-E934 WeakPolarHBondContact CH2-OE1 3.25Å; W806-E934 HydrophobicContact CZ2-CG 3.94Å; V930-E934 PolarHBondContact O-N 2.84Å; R931-E934 PolarHBondContact O-N 2.91Å; E934-S937 WeakPolarHBondContact O-CB 3.21Å; E934-S937 PolarHBondContact O-N 3.43Å; E934-S937 PolarHBondContact O-OG 3.24Å; E934-W950 HydrophobicContact CB-CD2 3.92Å; E934-W950 HydrophobicContact CB-CE3 3.79Å; E934-W950 HydrophobicContact CB-CH2 3.87Å; E934-W950 HydrophobicContact CB-CZ2 4Å; E934-W950 HydrophobicContact CB-CZ3 3.77Å; E934-W950 HydrophobicContact CG-CD2 3.84Å; E934-W950 HydrophobicContact CG-CE3 3.77Å; E934-W950 HydrophobicContact CG-CG 4.2Å; E934-W950 HydrophobicContact CG-CZ3 4.24Å; E934-W950 VanDerWaalsContact N-CZ2 3.34Å |
| 935 | A | 87 | Confident | 85.5 | Confident | 31 Ų | 31 | 47.1 Ų | 47.1 | 26% | 0.256 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.3 | -49.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | M871 R931 A932 A933 S937 I938 | M871-A935 HydrophobicContact CE-CB 3.73Å; M871-A935 VanDerWaalsContact CE-O 3.28Å; M871-A935 WeakPolarHBondContact CE-O 3.35Å; R931-A935 PolarHBondContact O-N 3.08Å; A932-A935 PolarHBondContact O-N 3.31Å; A933-A935 VanDerWaalsContact C-N 3.33Å; A933-A935 PolarHBondContact O-N 2.83Å; A935-S937 PolarHBondContact O-N 2.81Å; A935-I938 WeakPolarHBondContact O-CB 3.47Å; A935-I938 PolarHBondContact O-N 3.35Å |
| 936 | A | 89.3 | Confident | 84.5 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.4 | -27.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | C866 M871 L875 A932 A933 I938 K939 | C866-A936 HydrophobicContact CB-CB 4.33Å; M871-A936 HydrophobicContact CB-CB 4.5Å; L875-A936 HydrophobicContact CD2-CB 3.96Å; A932-A936 VanDerWaalsContact O-CB 3.26Å; A932-A936 WeakPolarHBondContact O-CB 3.36Å; A932-A936 PolarHBondContact O-N 2.84Å; A933-A936 PolarHBondContact O-N 3.41Å; A936-I938 PolarHBondContact O-N 3.16Å; A936-K939 PolarHBondContact O-N 3.03Å |
| 937 | S | 88.2 | Confident | 83.2 | Confident | 23 Ų | 23 | 60 Ų | 60 | 16% | 0.161 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -68.1 | -16.2 | 179.8 | 79.9 | 0 | 0 | 0 | 0 | 114.6 | A933 E934 A935 K939 I940 W950 | A933-S937 VanDerWaalsContact O-CB 3.3Å; A933-S937 WeakPolarHBondContact O-CB 3.49Å; A933-S937 PolarHBondContact O-N 3.2Å; E934-S937 WeakPolarHBondContact O-CB 3.21Å; E934-S937 PolarHBondContact O-N 3.43Å; E934-S937 PolarHBondContact O-OG 3.24Å; A935-S937 PolarHBondContact O-N 2.81Å; S937-K939 VanDerWaalsContact C-N 3.3Å; S937-I940 WeakPolarHBondContact O-CD1 3.25Å; S937-I940 WeakPolarHBondContact O-CG1 3.14Å; S937-W950 VanDerWaalsContact CB-NE1 3.31Å; S937-W950 PolarHBondContact OG-NE1 3.08Å |
| 938 | I | 85.1 | Confident | 82.4 | Confident | 93 Ų | 93 | 60 Ų | 60 | 48% | 0.477 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -71.7 | -29.6 | 176 | -58.8 | 172.6 | 0 | 0 | 0 | 110.8 | A935 A936 | A935-I938 WeakPolarHBondContact O-CB 3.47Å; A935-I938 PolarHBondContact O-N 3.35Å; A936-I938 PolarHBondContact O-N 3.16Å |
| 939 | K | 83.3 | Confident | 81.9 | Confident | 56 Ų | 56 | 63.3 Ų | 63.3 | 24% | 0.243 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -117.3 | 55.9 | -173.6 | -66.6 | -72.2 | -172.4 | 166.7 | 0 | 111 | C866 T867 D868 M871 A936 S937 | C866-K939 CarbonylContact C-O 3.32Å; C866-K939 VanDerWaalsContact CA-O 3.24Å; C866-K939 WeakPolarHBondContact CA-O 3.36Å; T867-K939 PolarHBondContact N-O 2.98Å; T867-K939 PolarHBondContact OG1-O 3.09Å; D868-K939 HydrophobicContact CB-CB 4.04Å; D868-K939 HydrophobicContact CB-CG 4.22Å; M871-K939 HydrophobicContact SD-CB 4.39Å; M871-K939 HydrophobicContact SD-CG 4.08Å; A936-K939 PolarHBondContact O-N 3.03Å; S937-K939 VanDerWaalsContact C-N 3.3Å |
| 940 | I | 82.3 | Confident | 81.5 | Confident | 39 Ų | 39 | 65.2 Ų | 65.2 | 20% | 0.2 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -94.1 | 144.2 | 177.1 | -57.8 | 172.9 | 0 | 0 | 0 | 109.9 | L862 Q865 S937 T942 S944 L946 | L862-I940 HydrophobicContact CD1-CD1 3.54Å; L862-I940 HydrophobicContact CD1-CG1 3.86Å; Q865-I940 HydrophobicContact CB-CG2 3.76Å; Q865-I940 WeakPolarHBondContact O-CA 3.25Å; S937-I940 WeakPolarHBondContact O-CD1 3.25Å; S937-I940 WeakPolarHBondContact O-CG1 3.14Å; I940-T942 PolarHBondContact O-N 3.34Å; I940-S944 WeakPolarHBondContact CG2-OG 3.47Å; I940-L946 HydrophobicContact CD1-CD2 4.5Å |
| 941 | R | 77.6 | Confident | 80.9 | Confident | 117 Ų | 117 | 67.8 Ų | 67.8 | 44% | 0.442 | 35% | 0.347 | S | S | . | . | trans | -49.6 | 130.4 | 166.7 | -76.4 | -176 | 63.2 | 154.4 | 0.3 | 112.1 | Q865 T867 D943 S944 | Q865-R941 PolarHBondContact O-N 2.96Å; T867-R941 HydrophobicContact CG2-CB 4.3Å; T867-R941 HydrophobicContact CG2-CG 3.46Å; T867-R941 VanDerWaalsContact CG2-CG 3.46Å; R941-D943 WeakPolarHBondContact CB-OD1 3.23Å; R941-D943 IonicContact CZ-OD1 2.67Å; R941-D943 IonicContact CZ-OD2 3.89Å; R941-D943 IonicContact NE-OD1 2.67Å; R941-D943 PolarHBondContact NE-OD1 3.46Å; R941-D943 IonicContact NE-OD2 3.44Å; R941-D943 IonicContact NH2-OD1 2.7Å; R941-D943 PolarHBondContact NH2-OD1 2.6Å; R941-D943 IonicContact NH2-OD2 3.76Å; R941-D943 PolarHBondContact NH2-OD2 2.67Å; R941-D943 PolarHBondContact O-N 3.21Å; R941-S944 VanDerWaalsContact O-CB 3.31Å; R941-S944 WeakPolarHBondContact O-CB 3.3Å; R941-S944 PolarHBondContact O-N 3.27Å; R941-S944 VanDerWaalsContact O-N 3.15Å; R941-S944 PolarHBondContact O-OG 3.11Å | ||
| 942 | T | 69.5 | Low | 80.5 | Confident | 148 Ų | 148 | 69.3 Ų | 69.3 | 91% | 0.908 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -24.7 | -178 | 50.8 | 0 | 0 | 0 | 0 | 113.8 | I940 | I940-T942 PolarHBondContact O-N 3.34Š|
| 943 | D | 74.9 | Confident | 79.6 | Confident | 104 Ų | 104 | 70.5 Ų | 70.5 | 56% | 0.556 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | 0.7 | -179 | 64.3 | -27.6 | 0 | 0 | 0 | 114 | R941 G945 | R941-D943 WeakPolarHBondContact CB-OD1 3.23Å; R941-D943 IonicContact CZ-OD1 2.67Å; R941-D943 IonicContact CZ-OD2 3.89Å; R941-D943 IonicContact NE-OD1 2.67Å; R941-D943 PolarHBondContact NE-OD1 3.46Å; R941-D943 IonicContact NE-OD2 3.44Å; R941-D943 IonicContact NH2-OD1 2.7Å; R941-D943 PolarHBondContact NH2-OD1 2.6Å; R941-D943 IonicContact NH2-OD2 3.76Å; R941-D943 PolarHBondContact NH2-OD2 2.67Å; R941-D943 PolarHBondContact O-N 3.21Å; D943-G945 PolarHBondContact O-N 3.45Å; D943-G945 VanDerWaalsContact O-N 3.1Å |
| 944 | S | 72.2 | Confident | 78.2 | Confident | 31 Ų | 31 | 73.4 Ų | 73.4 | 22% | 0.217 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -62.1 | -22.3 | -172.6 | 60.5 | 0 | 0 | 0 | 0 | 114.8 | I940 R941 L946 | I940-S944 WeakPolarHBondContact CG2-OG 3.47Å; R941-S944 VanDerWaalsContact O-CB 3.31Å; R941-S944 WeakPolarHBondContact O-CB 3.3Å; R941-S944 PolarHBondContact O-N 3.27Å; R941-S944 VanDerWaalsContact O-N 3.15Å; R941-S944 PolarHBondContact O-OG 3.11Å; S944-L946 PolarHBondContact O-N 3.37Å; S944-L946 PolarHBondContact OG-N 3.08Å |
| 945 | G | 70.4 | Confident | 76.2 | Confident | 70 Ų | 70 | 77.4 Ų | 77.4 | 72% | 0.722 | 39% | 0.393 | S | S | * | . | trans | 65.9 | -6.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | D943 R947 | D943-G945 PolarHBondContact O-N 3.45Å; D943-G945 VanDerWaalsContact O-N 3.1Å; G945-R947 PolarHBondContact O-N 3.35Å | ||
| 946 | L | 70.1 | Confident | 74.6 | Confident | 61 Ų | 61 | 85.2 Ų | 85.2 | 32% | 0.319 | 42% | 0.416 | S | S | . | . | trans | -74.2 | 118.5 | -178.2 | -165.7 | 76.3 | 0 | 0 | 0 | 109.4 | L862 Q865 I940 S944 L948 | L862-L946 HydrophobicContact CB-CD2 4.31Å; L862-L946 HydrophobicContact CD1-CD2 3.76Å; Q865-L946 HydrophobicContact CG-CD2 4.49Å; I940-L946 HydrophobicContact CD1-CD2 4.5Å; S944-L946 PolarHBondContact O-N 3.37Å; S944-L946 PolarHBondContact OG-N 3.08Å; L946-L948 HydrophobicContact CD2-CD1 4.09Å; L946-L948 HydrophobicContact CD2-CG 4.4Å; L946-L948 HydrophobicContact CG-CG 4.37Å | ||
| 947 | R | 67.2 | Low | 73 | Confident | 215 Ų | 215 | 86.3 Ų | 86.3 | 81% | 0.811 | 42% | 0.424 | S | S | * | . | trans | -114.6 | 85.8 | 174.5 | -70.6 | -171.3 | 178 | -173.8 | 1.6 | 109.7 | G945 | G945-R947 PolarHBondContact O-N 3.35Š| ||
| 948 | L | 74.9 | Confident | 71.1 | Confident | 31 Ų | 31 | 89.1 Ų | 89.1 | 16% | 0.162 | 44% | 0.437 | C | S | . | . | trans | -93.1 | 119.7 | 164.8 | -71.3 | 172.5 | 0 | 0 | 0 | 108.9 | E810 I813 L862 L946 | E810-L948 WeakPolarHBondContact O-CA 3.47Å; I813-L948 HydrophobicContact CD1-CD1 3.86Å; L862-L948 HydrophobicContact CB-CD1 4.39Å; L862-L948 HydrophobicContact CD1-CD1 4.16Å; L862-L948 HydrophobicContact CD2-CD1 3.99Å; L862-L948 HydrophobicContact CG-CD1 4.42Å; L946-L948 HydrophobicContact CD2-CD1 4.09Å; L946-L948 HydrophobicContact CD2-CG 4.4Å; L946-L948 HydrophobicContact CG-CG 4.37Å | ||
| 949 | R | 79.6 | Confident | 68.9 | Low | 121 Ų | 121 | 96.1 Ų | 96.1 | 46% | 0.457 | 46% | 0.459 | S | S | . | . | trans | -100.7 | 100.9 | -174.2 | -152.5 | -169.4 | 170.3 | 169.8 | -6 | 111.4 | E810 V951 | E810-R949 HydrophobicContact CB-CB 3.92Å; E810-R949 PolarHBondContact O-N 3.43Å; E810-R949 IonicContact OE1-NH1 2.67Å; R949-V951 HydrophobicContact CB-CG2 4.49Å; R949-V951 HydrophobicContact CG-CG2 3.64Å; R949-V951 PolarHBondContact O-N 2.92Å; R949-V951 VanDerWaalsContact O-N 3.13Å | ||
| 950 | W | 83.1 | Confident | 68.1 | Low | 40 Ų | 40 | 98.1 Ų | 98.1 | 15% | 0.152 | 47% | 0.469 | C | S | . | . | trans | -83.1 | 86.2 | 174.6 | -64.5 | 94.8 | 0 | 0 | 0 | 111 | W806 V814 V930 A933 E934 S937 | W806-W950 AromaticContact CD2-CE3 3.78Å; W806-W950 HydrophobicContact CD2-CE3 3.78Å; W806-W950 HydrophobicContact CD2-CZ3 4.2Å; W806-W950 AromaticContact CE2-CE3 3.98Å; W806-W950 HydrophobicContact CE3-CB 4.3Å; W806-W950 AromaticContact CE3-CE3 3.87Å; W806-W950 HydrophobicContact CE3-CE3 3.87Å; W806-W950 HydrophobicContact CG-CE3 4.23Å; W806-W950 HydrophobicContact CG-CZ3 4.29Å; W806-W950 HydrophobicContact CH2-CE3 4.32Å; W806-W950 HydrophobicContact CZ2-CE3 4.26Å; W806-W950 HydrophobicContact CZ3-CB 3.94Å; W806-W950 HydrophobicContact CZ3-CE3 4.14Å; V814-W950 HydrophobicContact CG2-CE3 4.43Å; V814-W950 HydrophobicContact CG2-CH2 4.16Å; V814-W950 HydrophobicContact CG2-CZ3 3.81Å; V930-W950 HydrophobicContact CG1-CH2 3.94Å; V930-W950 HydrophobicContact CG1-CZ3 3.95Å; V930-W950 VanDerWaalsContact O-CH2 3.29Å; V930-W950 WeakPolarHBondContact O-CH2 3.46Å; A933-W950 HydrophobicContact CB-CH2 4.28Å; A933-W950 HydrophobicContact CB-CZ2 3.92Å; E934-W950 HydrophobicContact CB-CD2 3.92Å; E934-W950 HydrophobicContact CB-CE3 3.79Å; E934-W950 HydrophobicContact CB-CH2 3.87Å; E934-W950 HydrophobicContact CB-CZ2 4Å; E934-W950 HydrophobicContact CB-CZ3 3.77Å; E934-W950 HydrophobicContact CG-CD2 3.84Å; E934-W950 HydrophobicContact CG-CE3 3.77Å; E934-W950 HydrophobicContact CG-CG 4.2Å; E934-W950 HydrophobicContact CG-CZ3 4.24Å; E934-W950 VanDerWaalsContact N-CZ2 3.34Å; S937-W950 VanDerWaalsContact CB-NE1 3.31Å; S937-W950 PolarHBondContact OG-NE1 3.08Å | ||
| 951 | V | 82.6 | Confident | 67.4 | Low | 55 Ų | 55 | 101.2 Ų | 101.2 | 33% | 0.333 | 48% | 0.484 | S | S | . | . | trans | -109.1 | 120.6 | 176.7 | -172.3 | 0 | 0 | 0 | 0 | 110 | S807 R949 K953 | S807-V951 PolarHBondContact N-O 3.3Å; R949-V951 HydrophobicContact CB-CG2 4.49Å; R949-V951 HydrophobicContact CG-CG2 3.64Å; R949-V951 PolarHBondContact O-N 2.92Å; R949-V951 VanDerWaalsContact O-N 3.13Å; V951-K953 PolarHBondContact O-N 3.46Å | ||
| 952 | R | 81.4 | Confident | 66.8 | Low | 139 Ų | 139 | 100.3 Ų | 100.3 | 53% | 0.525 | 49% | 0.486 | S | S | . | . | B | Isolated β-bridge | trans | -68.2 | 128.3 | 169.8 | -75.2 | -175.7 | 175.6 | -92.2 | -8.7 | 110 | Q805 W806 | Q805-R952 CarbonylContact O-C 3.57Å; Q805-R952 VanDerWaalsContact O-CA 3.25Å; Q805-R952 WeakPolarHBondContact O-CA 3.24Å; W806-R952 HydrophobicContact CE3-CG 4.04Å; W806-R952 HydrophobicContact CH2-CG 4.14Å; W806-R952 HydrophobicContact CZ3-CG 3.69Å |
| 953 | K | 71.1 | Confident | 66.7 | Low | 45 Ų | 45 | 97.5 Ų | 97.5 | 20% | 0.196 | 46% | 0.461 | C | S | . | . | P | Polyproline II helix | trans | -65 | 130.7 | 172.5 | -74 | -165.3 | -175 | -177.8 | 0 | 109.5 | E773 Q805 W806 V951 S957 | E773-K953 VanDerWaalsContact OE1-CE 3.25Å; E773-K953 WeakPolarHBondContact OE1-CE 3.32Å; E773-K953 IonicContact OE1-NZ 3.34Å; E773-K953 PolarHBondContact OE1-NZ 3.48Å; E773-K953 IonicContact OE2-NZ 3.92Å; E773-K953 PolarHBondContact OE2-NZ 3.49Å; Q805-K953 PolarHBondContact O-N 2.96Å; W806-K953 WeakPolarHBondContact O-CE 3.06Å; V951-K953 PolarHBondContact O-N 3.46Å; K953-S957 WeakPolarHBondContact CB-OG 3.22Å |
| 954 | P | 61.7 | Low | 66.1 | Low | 61 Ų | 61 | 97.1 Ų | 97.1 | 40% | 0.396 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 147.6 | 177.4 | 29.4 | -33.7 | 0 | 0 | 0 | 110 | W956 S957 | P954-W956 HydrophobicContact CB-CG 4.46Å; P954-W956 VanDerWaalsContact CB-NE1 3.34Å; P954-W956 HydrophobicContact CG-CD2 4.34Å; P954-W956 HydrophobicContact CG-CZ2 3.98Å; P954-W956 PolarHBondContact O-N 2.88Å; P954-S957 PolarHBondContact O-N 3.07Å; P954-S957 PolarHBondContact O-OG 2.97Å; P954-S957 VanDerWaalsContact O-OG 3.08Å |
| 955 | M | 48.8 | Very low | 65.7 | Low | 146 Ų | 146 | 101.5 Ų | 101.5 | 72% | 0.719 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -49.9 | -34.5 | -174.7 | -71.9 | -80.4 | -80.3 | 0 | 0 | 113.7 | S957 N958 Y959 | M955-S957 VanDerWaalsContact C-N 3.3Å; M955-S957 PolarHBondContact O-N 3.32Å; M955-N958 PolarHBondContact O-N 2.58Å; M955-Y959 VanDerWaalsContact O-CD2 3.25Å; M955-Y959 WeakPolarHBondContact O-CD2 3.21Å |
| 956 | W | 53.6 | Low | 65.4 | Low | 195 Ų | 195 | 103.8 Ų | 103.8 | 74% | 0.739 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -73.5 | -10.9 | -179.9 | 63 | -92.3 | 0 | 0 | 0 | 114.9 | P954 N958 | P954-W956 HydrophobicContact CB-CG 4.46Å; P954-W956 VanDerWaalsContact CB-NE1 3.34Å; P954-W956 HydrophobicContact CG-CD2 4.34Å; P954-W956 HydrophobicContact CG-CZ2 3.98Å; P954-W956 PolarHBondContact O-N 2.88Å; W956-N958 PolarHBondContact O-N 3.05Å |
| 957 | S | 54.9 | Low | 65.1 | Low | 23 Ų | 23 | 107.1 Ų | 107.1 | 16% | 0.161 | 46% | 0.464 | C | S | . | . | G | 310 helix | trans | -79 | -9.7 | 174 | 74.8 | 0 | 0 | 0 | 0 | 113.4 | R777 K953 P954 M955 | R777-S957 PolarHBondContact NH2-O 2.77Å; K953-S957 WeakPolarHBondContact CB-OG 3.22Å; P954-S957 PolarHBondContact O-N 3.07Å; P954-S957 PolarHBondContact O-OG 2.97Å; P954-S957 VanDerWaalsContact O-OG 3.08Å; M955-S957 VanDerWaalsContact C-N 3.3Å; M955-S957 PolarHBondContact O-N 3.32Å |
| 958 | N | 48.3 | Very low | 64.9 | Low | 82 Ų | 82 | 98.1 Ų | 98.1 | 44% | 0.439 | 44% | 0.435 | S | S | . | . | trans | -99.3 | -8.2 | 177.6 | -62.5 | -10.6 | 0 | 0 | 0 | 112.2 | M955 W956 | M955-N958 PolarHBondContact O-N 2.58Å; W956-N958 PolarHBondContact O-N 3.05Å | ||
| 959 | Y | 38.7 | Very low | 64 | Low | 239 Ų | 239 | 104.2 Ų | 104.2 | 94% | 0.937 | 46% | 0.459 | S | S | * | . | trans | -102.2 | 0 | 166.4 | -63.4 | -84.6 | 0 | 0 | 0 | 108.2 | M955 | M955-Y959 VanDerWaalsContact O-CD2 3.25Å; M955-Y959 WeakPolarHBondContact O-CD2 3.21Å |
Retrieved 959 of 959 residues in 511 ms
(Link to these results)