| 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 | 26.2 | Very low | 35.7 | Very low | 55 Ų | 55 | 15.2 Ų | 15.2 | 27% | 0.271 | 8% | 0.083 | S | C | . | . | 0 | -78.1 | 0 | -156.5 | 176.4 | 88.3 | 0 | 0 | 112.4 | Q4 C5 L136 L240 F890 | M1-Q4 CarbonylContact O-C 3.52Å; M1-Q4 PolarHBondContact O-N 2.96Å; M1-C5 PolarHBondContact O-N 3.03Å; M1-C5 PolarHBondContact O-SG 3.29Å; M1-L136 HydrophobicContact SD-CD1 4.2Å; M1-L240 HydrophobicContact CE-CD2 4.07Å; M1-F890 HydrophobicContact CG-CE2 4.1Å; M1-F890 HydrophobicContact SD-CE2 4.17Å | |||
| 2 | I | 31.4 | Very low | 36 | Very low | 10 Ų | 10 | 13.9 Ų | 13.9 | 5% | 0.051 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -78.2 | -34.2 | -169.7 | -74.2 | 172.5 | 0 | 0 | 0 | 113.8 | Q4 C5 V6 L243 M247 L809 | I2-Q4 PolarHBondContact O-N 3.2Å; I2-C5 PolarHBondContact O-N 3.31Å; I2-V6 HydrophobicContact CG2-CG2 4.29Å; I2-V6 WeakPolarHBondContact O-CB 3.47Å; I2-V6 WeakPolarHBondContact O-CG2 3.4Å; I2-V6 PolarHBondContact O-N 2.86Å; I2-L243 HydrophobicContact CB-CB 4.44Å; I2-L243 HydrophobicContact CB-CD2 4.42Å; I2-L243 HydrophobicContact CD1-CB 3.16Å; I2-L243 HydrophobicContact CD1-CD1 3.64Å; I2-L243 HydrophobicContact CD1-CD2 4.45Å; I2-L243 HydrophobicContact CD1-CG 3.9Å; I2-L243 HydrophobicContact CG1-CB 4.3Å; I2-L243 HydrophobicContact CG2-CB 4.23Å; I2-L243 HydrophobicContact CG2-CD2 4.33Å; I2-M247 HydrophobicContact CB-SD 4.23Å; I2-M247 HydrophobicContact CD1-SD 4.08Å; I2-M247 HydrophobicContact CG1-SD 3.89Å; I2-M247 HydrophobicContact CG2-CG 3.43Å; I2-M247 VanDerWaalsContact CG2-CG 3.43Å; I2-M247 HydrophobicContact CG2-SD 3.45Å; I2-M247 WeakPolarHBondContact CG2-SD 3.35Å; I2-L809 HydrophobicContact CB-CD1 4.4Å; I2-L809 HydrophobicContact CG2-CD1 3.85Å; I2-L809 HydrophobicContact CG2-CD2 4.03Å |
| 3 | A | 33.3 | Very low | 36.1 | Very low | 7 Ų | 7 | 14.7 Ų | 14.7 | 6% | 0.058 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.7 | -32.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A7 C805 I806 L809 | A3-A7 VanDerWaalsContact O-CB 3.23Å; A3-A7 WeakPolarHBondContact O-CB 3.43Å; A3-A7 PolarHBondContact O-N 3.27Å; A3-C805 HydrophobicContact CB-CB 3.81Å; A3-I806 HydrophobicContact CB-CB 4.5Å; A3-I806 HydrophobicContact CB-CG1 3.49Å; A3-I806 VanDerWaalsContact CB-CG1 3.49Å; A3-L809 HydrophobicContact CB-CD1 3.86Å |
| 4 | Q | 34.2 | Very low | 36.1 | Very low | 51 Ų | 51 | 13.9 Ų | 13.9 | 24% | 0.238 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -83.3 | -32.9 | 177.3 | -72.3 | 157.3 | -34.5 | 0 | 0 | 112.4 | M1 I2 A7 A8 L797 | M1-Q4 CarbonylContact O-C 3.52Å; M1-Q4 PolarHBondContact O-N 2.96Å; I2-Q4 PolarHBondContact O-N 3.2Å; Q4-A7 CarbonylContact O-C 3.49Å; Q4-A7 PolarHBondContact O-N 3.21Å; Q4-A8 WeakPolarHBondContact O-CB 3.42Å; Q4-A8 PolarHBondContact O-N 3.13Å; Q4-L797 HydrophobicContact CG-CD2 4.47Å |
| 5 | C | 35.5 | Very low | 36.1 | Very low | 14 Ų | 14 | 13 Ų | 13 | 10% | 0.095 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -68.6 | -38.7 | 169.5 | -67 | 0 | 0 | 0 | 0 | 110.6 | M1 I2 A8 V9 M247 | M1-C5 PolarHBondContact O-N 3.03Å; M1-C5 PolarHBondContact O-SG 3.29Å; I2-C5 PolarHBondContact O-N 3.31Å; C5-A8 CarbonylContact O-C 3.49Å; C5-A8 WeakPolarHBondContact O-CA 3.46Å; C5-A8 WeakPolarHBondContact O-CB 3.34Å; C5-A8 PolarHBondContact O-N 2.88Å; C5-V9 WeakPolarHBondContact O-CG2 3.25Å; C5-V9 PolarHBondContact O-N 3.27Å; C5-M247 HydrophobicContact CB-CE 4.14Å |
| 6 | V | 38.1 | Very low | 36.3 | Very low | 3 Ų | 3 | 13.2 Ų | 13.2 | 2% | 0.018 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.5 | -50.2 | 169.8 | 164.2 | 0 | 0 | 0 | 0 | 109.5 | I2 A8 V9 F10 M247 V256 L809 | I2-V6 HydrophobicContact CG2-CG2 4.29Å; I2-V6 WeakPolarHBondContact O-CB 3.47Å; I2-V6 WeakPolarHBondContact O-CG2 3.4Å; I2-V6 PolarHBondContact O-N 2.86Å; V6-A8 PolarHBondContact O-N 3.4Å; V6-A8 VanDerWaalsContact O-N 3.15Å; V6-V9 PolarHBondContact O-N 2.78Å; V6-F10 HydrophobicContact CG1-CD2 3.83Å; V6-F10 HydrophobicContact CG1-CE2 3.96Å; V6-F10 WeakPolarHBondContact O-CB 3.47Å; V6-F10 WeakPolarHBondContact O-CD2 3.05Å; V6-F10 PolarHBondContact O-N 3.44Å; V6-M247 HydrophobicContact CG2-CE 4.37Å; V6-M247 HydrophobicContact CG2-CG 3.92Å; V6-V256 HydrophobicContact CG1-CB 4.15Å; V6-V256 HydrophobicContact CG1-CG1 3.64Å; V6-V256 HydrophobicContact CG1-CG2 3.74Å; V6-L809 HydrophobicContact CG2-CD2 4.47Å |
| 7 | A | 37.5 | Very low | 36.4 | Very low | 8 Ų | 8 | 13.5 Ų | 13.5 | 7% | 0.066 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -57.6 | -28.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A3 Q4 F10 L11 | A3-A7 VanDerWaalsContact O-CB 3.23Å; A3-A7 WeakPolarHBondContact O-CB 3.43Å; A3-A7 PolarHBondContact O-N 3.27Å; Q4-A7 CarbonylContact O-C 3.49Å; Q4-A7 PolarHBondContact O-N 3.21Å; A7-F10 CarbonylContact O-C 3.56Å; A7-L11 WeakPolarHBondContact O-CA 3.1Å; A7-L11 VanDerWaalsContact O-CB 3.26Å; A7-L11 WeakPolarHBondContact O-CB 3.46Å; A7-L11 WeakPolarHBondContact O-CD1 3.04Å; A7-L11 WeakPolarHBondContact O-CG 2.88Å; A7-L11 PolarHBondContact O-N 3.29Å |
| 8 | A | 36.9 | Very low | 36.4 | Very low | 3 Ų | 3 | 13.3 Ų | 13.3 | 3% | 0.025 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -78.6 | -39.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q4 C5 V6 F10 L11 L12 V149 L153 | Q4-A8 WeakPolarHBondContact O-CB 3.42Å; Q4-A8 PolarHBondContact O-N 3.13Å; C5-A8 CarbonylContact O-C 3.49Å; C5-A8 WeakPolarHBondContact O-CA 3.46Å; C5-A8 WeakPolarHBondContact O-CB 3.34Å; C5-A8 PolarHBondContact O-N 2.88Å; V6-A8 PolarHBondContact O-N 3.4Å; V6-A8 VanDerWaalsContact O-N 3.15Å; A8-F10 PolarHBondContact O-N 3.09Å; A8-L11 HydrophobicContact CB-CD1 4.15Å; A8-L11 WeakPolarHBondContact O-CB 3.13Å; A8-L11 PolarHBondContact O-N 2.91Å; A8-L12 PolarHBondContact O-N 3.05Å; A8-V149 HydrophobicContact CB-CG2 4Å; A8-L153 HydrophobicContact CB-CD1 3.51Å |
| 9 | V | 38.7 | Very low | 36.5 | Very low | 9 Ų | 9 | 13.5 Ų | 13.5 | 6% | 0.055 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -58.9 | -43.8 | 169.2 | -177.8 | 0 | 0 | 0 | 0 | 108.2 | C5 V6 L12 N13 L157 L878 L882 | C5-V9 WeakPolarHBondContact O-CG2 3.25Å; C5-V9 PolarHBondContact O-N 3.27Å; V6-V9 PolarHBondContact O-N 2.78Å; V9-L12 VanDerWaalsContact O-CB 3.28Å; V9-L12 WeakPolarHBondContact O-CB 2.85Å; V9-L12 PolarHBondContact O-N 3.35Å; V9-L12 VanDerWaalsContact O-N 3.17Å; V9-N13 PolarHBondContact O-N 2.82Å; V9-L157 HydrophobicContact CB-CD2 4.4Å; V9-L157 HydrophobicContact CG1-CD2 3.73Å; V9-L157 WeakPolarHBondContact O-CD2 3.38Å; V9-L878 HydrophobicContact CG1-CD2 4.28Å; V9-L882 HydrophobicContact CB-CD1 4.33Å; V9-L882 HydrophobicContact CG1-CD1 4.41Å; V9-L882 HydrophobicContact CG2-CD1 3.24Å |
| 10 | F | 41.5 | Very low | 36.9 | Very low | 4 Ų | 4 | 13.7 Ų | 13.7 | 2% | 0.018 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -82.6 | -23 | 177.1 | -72.3 | -68.5 | 0 | 0 | 0 | 114.1 | V6 A7 A8 L12 N13 A14 L253 V256 V257 L260 | V6-F10 HydrophobicContact CG1-CD2 3.83Å; V6-F10 HydrophobicContact CG1-CE2 3.96Å; V6-F10 WeakPolarHBondContact O-CB 3.47Å; V6-F10 WeakPolarHBondContact O-CD2 3.05Å; V6-F10 PolarHBondContact O-N 3.44Å; A7-F10 CarbonylContact O-C 3.56Å; A8-F10 PolarHBondContact O-N 3.09Å; F10-L12 PolarHBondContact O-N 2.85Å; F10-L12 VanDerWaalsContact O-N 3.08Å; F10-N13 HydrophobicContact CD1-CB 4.05Å; F10-N13 VanDerWaalsContact CD1-ND2 3.31Å; F10-N13 WeakPolarHBondContact CD1-ND2 3.32Å; F10-N13 VanDerWaalsContact CE1-ND2 3.25Å; F10-N13 WeakPolarHBondContact CE1-ND2 3.34Å; F10-N13 PolarHBondContact O-N 2.71Å; F10-A14 WeakPolarHBondContact O-CB 3.4Å; F10-A14 PolarHBondContact O-N 3.37Å; F10-L253 HydrophobicContact CE2-CD2 3.61Å; F10-L253 HydrophobicContact CZ-CB 3.85Å; F10-L253 HydrophobicContact CZ-CD2 3.53Å; F10-L253 HydrophobicContact CZ-CG 4.29Å; F10-L253 WeakPolarHBondContact CZ-O 3.47Å; F10-V256 HydrophobicContact CD2-CB 3.85Å; F10-V256 HydrophobicContact CD2-CG1 3.13Å; F10-V256 HydrophobicContact CE2-CB 3.48Å; F10-V256 VanDerWaalsContact CE2-CB 3.48Å; F10-V256 HydrophobicContact CE2-CG1 3.35Å; F10-V256 HydrophobicContact CE2-CG2 4.38Å; F10-V256 HydrophobicContact CG-CG1 3.85Å; F10-V256 HydrophobicContact CZ-CB 4.11Å; F10-V256 HydrophobicContact CZ-CG1 4.25Å; F10-V257 HydrophobicContact CD1-CG2 3.82Å; F10-V257 HydrophobicContact CE1-CB 4.22Å; F10-V257 HydrophobicContact CE1-CG2 3.09Å; F10-V257 HydrophobicContact CZ-CG2 3.76Å; F10-L260 HydrophobicContact CB-CD1 3.05Å; F10-L260 HydrophobicContact CD1-CD1 4.44Å; F10-L260 HydrophobicContact CD2-CD1 4.07Å; F10-L260 HydrophobicContact CG-CD1 3.62Å |
| 11 | L | 38.9 | Very low | 37.4 | Very low | 3 Ų | 3 | 17 Ų | 17 | 2% | 0.016 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -55.1 | -25.9 | 163.4 | -86.9 | 137.4 | 0 | 0 | 0 | 108.6 | A7 A8 A14 F15 V149 F150 L793 W796 | A7-L11 WeakPolarHBondContact O-CA 3.1Å; A7-L11 VanDerWaalsContact O-CB 3.26Å; A7-L11 WeakPolarHBondContact O-CB 3.46Å; A7-L11 WeakPolarHBondContact O-CD1 3.04Å; A7-L11 WeakPolarHBondContact O-CG 2.88Å; A7-L11 PolarHBondContact O-N 3.29Å; A8-L11 HydrophobicContact CB-CD1 4.15Å; A8-L11 WeakPolarHBondContact O-CB 3.13Å; A8-L11 PolarHBondContact O-N 2.91Å; L11-A14 CarbonylContact O-C 3.6Å; L11-F15 WeakPolarHBondContact O-CA 3.42Å; L11-F15 WeakPolarHBondContact O-CB 3.16Å; L11-F15 PolarHBondContact O-N 2.83Å; L11-V149 HydrophobicContact CB-CG1 3.78Å; L11-V149 HydrophobicContact CD1-CG1 3.97Å; L11-V149 HydrophobicContact CD1-CG2 3.98Å; L11-V149 HydrophobicContact CD2-CG1 4.05Å; L11-V149 HydrophobicContact CG-CG1 4.15Å; L11-F150 HydrophobicContact CD2-CZ 3.99Å; L11-L793 HydrophobicContact CD1-CD1 3.46Å; L11-L793 VanDerWaalsContact CD1-CD1 3.46Å; L11-L793 HydrophobicContact CD2-CB 3.83Å; L11-L793 HydrophobicContact CD2-CD1 3.5Å; L11-L793 HydrophobicContact CD2-CG 4.23Å; L11-L793 HydrophobicContact CG-CD1 4.22Å; L11-W796 VanDerWaalsContact CA-CZ3 3.44Å; L11-W796 HydrophobicContact CB-CE3 4.17Å; L11-W796 HydrophobicContact CB-CZ3 3.79Å; L11-W796 HydrophobicContact CD1-CE3 4.32Å; L11-W796 HydrophobicContact CD2-CE3 3.24Å; L11-W796 HydrophobicContact CD2-CZ3 3.2Å; L11-W796 HydrophobicContact CG-CE3 3.28Å; L11-W796 HydrophobicContact CG-CZ3 3.37Å |
| 12 | L | 39.8 | Very low | 38.5 | Very low | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -81.1 | -45.8 | 168.6 | -161.9 | 93 | 0 | 0 | 0 | 115.6 | A8 V9 F10 A14 F15 V16 C154 L157 V158 F161 | A8-L12 PolarHBondContact O-N 3.05Å; V9-L12 VanDerWaalsContact O-CB 3.28Å; V9-L12 WeakPolarHBondContact O-CB 2.85Å; V9-L12 PolarHBondContact O-N 3.35Å; V9-L12 VanDerWaalsContact O-N 3.17Å; F10-L12 PolarHBondContact O-N 2.85Å; F10-L12 VanDerWaalsContact O-N 3.08Å; L12-A14 PolarHBondContact O-N 2.77Å; L12-F15 VanDerWaalsContact CA-CB 3.43Å; L12-F15 HydrophobicContact CB-CB 4.3Å; L12-F15 HydrophobicContact CD1-CB 3.71Å; L12-F15 HydrophobicContact CD1-CD1 3.52Å; L12-F15 HydrophobicContact CD1-CD2 4.28Å; L12-F15 HydrophobicContact CD1-CE1 4.1Å; L12-F15 HydrophobicContact CD1-CG 3.65Å; L12-F15 HydrophobicContact CG-CB 3.94Å; L12-F15 HydrophobicContact CG-CD1 4.25Å; L12-F15 HydrophobicContact CG-CG 4.35Å; L12-F15 CarbonylContact O-C 3.48Å; L12-F15 VanDerWaalsContact O-CA 3.3Å; L12-F15 WeakPolarHBondContact O-CA 3.1Å; L12-F15 VanDerWaalsContact O-CB 3.23Å; L12-F15 WeakPolarHBondContact O-CB 2.89Å; L12-F15 PolarHBondContact O-N 3.49Å; L12-V16 VanDerWaalsContact O-CG2 3.29Å; L12-V16 WeakPolarHBondContact O-CG2 3.38Å; L12-V16 PolarHBondContact O-N 3.44Å; L12-C154 HydrophobicContact CD1-CB 3.26Å; L12-C154 VanDerWaalsContact CD1-O 3.3Å; L12-C154 WeakPolarHBondContact CD1-O 3.29Å; L12-C154 VanDerWaalsContact CD1-SG 3.55Å; L12-L157 HydrophobicContact CB-CB 4.31Å; L12-L157 HydrophobicContact CB-CD2 3.31Å; L12-L157 HydrophobicContact CB-CG 4.04Å; L12-L157 HydrophobicContact CD2-CB 3.53Å; L12-L157 HydrophobicContact CD2-CD2 3.5Å; L12-L157 VanDerWaalsContact CD2-CD2 3.5Å; L12-L157 HydrophobicContact CD2-CG 3.19Å; L12-L157 HydrophobicContact CG-CB 4.29Å; L12-L157 HydrophobicContact CG-CD2 3.94Å; L12-L157 HydrophobicContact CG-CG 4.13Å; L12-V158 HydrophobicContact CD1-CG2 3.57Å; L12-V158 HydrophobicContact CD2-CB 4.48Å; L12-V158 HydrophobicContact CD2-CG2 3.63Å; L12-V158 HydrophobicContact CG-CG2 4.13Å; L12-F161 HydrophobicContact CD2-CD2 3.9Å; L12-F161 HydrophobicContact CD2-CE2 3.88Å |
| 13 | N | 36.8 | Very low | 39.4 | Very low | 24 Ų | 24 | 18.9 Ų | 18.9 | 13% | 0.128 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -55.4 | -32 | 172.8 | -84 | -22.4 | 0 | 0 | 0 | 110.6 | V9 F10 V17 F161 L869 | V9-N13 PolarHBondContact O-N 2.82Å; F10-N13 HydrophobicContact CD1-CB 4.05Å; F10-N13 VanDerWaalsContact CD1-ND2 3.31Å; F10-N13 WeakPolarHBondContact CD1-ND2 3.32Å; F10-N13 VanDerWaalsContact CE1-ND2 3.25Å; F10-N13 WeakPolarHBondContact CE1-ND2 3.34Å; F10-N13 PolarHBondContact O-N 2.71Å; N13-V17 WeakPolarHBondContact O-CB 3.28Å; N13-V17 WeakPolarHBondContact O-CG2 3.27Å; N13-F161 WeakPolarHBondContact OD1-CE2 3.31Å; N13-F161 WeakPolarHBondContact OD1-CZ 3.26Å; N13-L869 VanDerWaalsContact ND2-CD1 3.3Å; N13-L869 WeakPolarHBondContact ND2-CD1 3.32Å |
| 14 | A | 36.5 | Very low | 39.9 | Very low | 4 Ų | 4 | 21.1 Ų | 21.1 | 3% | 0.033 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -10 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | F10 L11 L12 V17 I18 W796 | F10-A14 WeakPolarHBondContact O-CB 3.4Å; F10-A14 PolarHBondContact O-N 3.37Å; L11-A14 CarbonylContact O-C 3.6Å; L12-A14 PolarHBondContact O-N 2.77Å; A14-V17 HydrophobicContact CB-CB 4.44Å; A14-V17 HydrophobicContact CB-CG1 3.92Å; A14-V17 CarbonylContact O-C 3.59Å; A14-V17 VanDerWaalsContact O-C 3.31Å; A14-V17 WeakPolarHBondContact O-CA 3.49Å; A14-V17 VanDerWaalsContact O-CB 3.26Å; A14-V17 WeakPolarHBondContact O-CB 3.12Å; A14-V17 VanDerWaalsContact O-CG1 3.24Å; A14-V17 WeakPolarHBondContact O-CG1 3.27Å; A14-V17 PolarHBondContact O-N 2.74Å; A14-I18 WeakPolarHBondContact O-CA 3.14Å; A14-I18 WeakPolarHBondContact O-CB 3.38Å; A14-I18 WeakPolarHBondContact O-CD1 3.05Å; A14-I18 WeakPolarHBondContact O-CG1 3.33Å; A14-I18 PolarHBondContact O-N 2.72Å; A14-W796 HydrophobicContact CB-CH2 2.89Å; A14-W796 HydrophobicContact CB-CZ2 3.18Å; A14-W796 HydrophobicContact CB-CZ3 3.85Å |
| 15 | F | 35.8 | Very low | 40.4 | Very low | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -78.4 | -38 | 167.6 | 175.3 | -87.2 | 0 | 0 | 0 | 111.3 | L11 L12 V17 I18 A19 F150 C154 V158 T748 L751 F785 | L11-F15 WeakPolarHBondContact O-CA 3.42Å; L11-F15 WeakPolarHBondContact O-CB 3.16Å; L11-F15 PolarHBondContact O-N 2.83Å; L12-F15 VanDerWaalsContact CA-CB 3.43Å; L12-F15 HydrophobicContact CB-CB 4.3Å; L12-F15 HydrophobicContact CD1-CB 3.71Å; L12-F15 HydrophobicContact CD1-CD1 3.52Å; L12-F15 HydrophobicContact CD1-CD2 4.28Å; L12-F15 HydrophobicContact CD1-CE1 4.1Å; L12-F15 HydrophobicContact CD1-CG 3.65Å; L12-F15 HydrophobicContact CG-CB 3.94Å; L12-F15 HydrophobicContact CG-CD1 4.25Å; L12-F15 HydrophobicContact CG-CG 4.35Å; L12-F15 CarbonylContact O-C 3.48Å; L12-F15 VanDerWaalsContact O-CA 3.3Å; L12-F15 WeakPolarHBondContact O-CA 3.1Å; L12-F15 VanDerWaalsContact O-CB 3.23Å; L12-F15 WeakPolarHBondContact O-CB 2.89Å; L12-F15 PolarHBondContact O-N 3.49Å; F15-V17 PolarHBondContact O-N 2.7Å; F15-V17 VanDerWaalsContact O-N 3.1Å; F15-I18 PolarHBondContact O-N 3.19Å; F15-A19 VanDerWaalsContact O-CB 3.24Å; F15-A19 WeakPolarHBondContact O-CB 2.99Å; F15-A19 PolarHBondContact O-N 2.66Å; F15-F150 AromaticContact CD2-CD1 3.71Å; F15-F150 HydrophobicContact CD2-CD1 3.71Å; F15-F150 AromaticContact CD2-CE1 3.96Å; F15-F150 HydrophobicContact CD2-CE1 3.96Å; F15-F150 AromaticContact CE2-CD1 3.91Å; F15-F150 HydrophobicContact CE2-CD1 3.91Å; F15-C154 HydrophobicContact CD2-CB 4.14Å; F15-C154 HydrophobicContact CE2-CB 4.01Å; F15-C154 HydrophobicContact CZ-CB 4.4Å; F15-V158 HydrophobicContact CD1-CG2 4.36Å; F15-V158 HydrophobicContact CE1-CG2 4.12Å; F15-T748 HydrophobicContact CE2-CG2 3.62Å; F15-T748 HydrophobicContact CZ-CG2 3.7Å; F15-L751 HydrophobicContact CE1-CB 4.05Å; F15-L751 HydrophobicContact CZ-CB 4.03Å; F15-L751 HydrophobicContact CZ-CD1 4.02Å; F15-F785 HydrophobicContact CD2-CE1 4.21Å; F15-F785 AromaticContact CD2-CZ 3.61Å; F15-F785 HydrophobicContact CD2-CZ 3.61Å; F15-F785 HydrophobicContact CE1-CZ 4.49Å; F15-F785 AromaticContact CE2-CE1 3.65Å; F15-F785 HydrophobicContact CE2-CE1 3.65Å; F15-F785 HydrophobicContact CE2-CE2 4.42Å; F15-F785 AromaticContact CE2-CZ 3.25Å; F15-F785 HydrophobicContact CE2-CZ 3.25Å; F15-F785 HydrophobicContact CG-CZ 4.38Å; F15-F785 HydrophobicContact CZ-CE1 4.31Å; F15-F785 AromaticContact CZ-CZ 3.74Å; F15-F785 HydrophobicContact CZ-CZ 3.74Å |
| 16 | V | 38.9 | Very low | 40.8 | Very low | 16 Ų | 16 | 25.2 Ų | 25.2 | 10% | 0.097 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -53.7 | -27.1 | 164.7 | -178.8 | 0 | 0 | 0 | 0 | 110.6 | L12 L755 F760 L865 | L12-V16 VanDerWaalsContact O-CG2 3.29Å; L12-V16 WeakPolarHBondContact O-CG2 3.38Å; L12-V16 PolarHBondContact O-N 3.44Å; V16-L755 HydrophobicContact CB-CD2 3.73Å; V16-L755 HydrophobicContact CG1-CD2 3.55Å; V16-L755 HydrophobicContact CG2-CD1 4.39Å; V16-L755 HydrophobicContact CG2-CD2 3.27Å; V16-L755 HydrophobicContact CG2-CG 4.43Å; V16-F760 HydrophobicContact CG1-CE2 3.79Å; V16-F760 HydrophobicContact CG1-CZ 3.82Å; V16-L865 HydrophobicContact CG1-CD1 4.06Å; V16-L865 HydrophobicContact CG2-CD1 4.49Å |
| 17 | V | 39 | Very low | 41.2 | Very low | 18 Ų | 18 | 27.1 Ų | 27.1 | 11% | 0.109 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -102.7 | -33.3 | -169 | 133.6 | 0 | 0 | 0 | 0 | 112.3 | N13 A14 F15 F841 Y846 | N13-V17 WeakPolarHBondContact O-CB 3.28Å; N13-V17 WeakPolarHBondContact O-CG2 3.27Å; A14-V17 HydrophobicContact CB-CB 4.44Å; A14-V17 HydrophobicContact CB-CG1 3.92Å; A14-V17 CarbonylContact O-C 3.59Å; A14-V17 VanDerWaalsContact O-C 3.31Å; A14-V17 WeakPolarHBondContact O-CA 3.49Å; A14-V17 VanDerWaalsContact O-CB 3.26Å; A14-V17 WeakPolarHBondContact O-CB 3.12Å; A14-V17 VanDerWaalsContact O-CG1 3.24Å; A14-V17 WeakPolarHBondContact O-CG1 3.27Å; A14-V17 PolarHBondContact O-N 2.74Å; F15-V17 PolarHBondContact O-N 2.7Å; F15-V17 VanDerWaalsContact O-N 3.1Å; V17-F841 HydrophobicContact CB-CE1 3.91Å; V17-F841 HydrophobicContact CG1-CD1 4.39Å; V17-F841 HydrophobicContact CG1-CE1 3.2Å; V17-F841 HydrophobicContact CG1-CZ 3.5Å; V17-F841 VanDerWaalsContact CG1-CZ 3.5Å; V17-F841 HydrophobicContact CG2-CD1 4.09Å; V17-F841 HydrophobicContact CG2-CE1 3.6Å; V17-Y846 WeakPolarHBondContact CA-OH 3.48Å; V17-Y846 HydrophobicContact CB-CE2 4.19Å; V17-Y846 WeakPolarHBondContact CB-OH 3.29Å; V17-Y846 WeakPolarHBondContact CG1-OH 3.24Å; V17-Y846 HydrophobicContact CG2-CE2 3.68Å; V17-Y846 VanDerWaalsContact CG2-OH 3.28Å; V17-Y846 WeakPolarHBondContact CG2-OH 3.48Å; V17-Y846 WeakPolarHBondContact O-CE1 3.45Å; V17-Y846 PolarHBondContact O-OH 3.26Å |
| 18 | I | 36.3 | Very low | 41.6 | Very low | 10 Ų | 10 | 31.4 Ų | 31.4 | 5% | 0.051 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -83.1 | -27.6 | -179 | -77.9 | 162.6 | 0 | 0 | 0 | 110.5 | A14 F15 K20 L788 K792 W796 | A14-I18 WeakPolarHBondContact O-CA 3.14Å; A14-I18 WeakPolarHBondContact O-CB 3.38Å; A14-I18 WeakPolarHBondContact O-CD1 3.05Å; A14-I18 WeakPolarHBondContact O-CG1 3.33Å; A14-I18 PolarHBondContact O-N 2.72Å; F15-I18 PolarHBondContact O-N 3.19Å; I18-K20 PolarHBondContact O-N 2.9Å; I18-L788 HydrophobicContact CG2-CB 4.14Å; I18-K792 HydrophobicContact CD1-CB 3.38Å; I18-K792 HydrophobicContact CD1-CG 3.91Å; I18-K792 HydrophobicContact CG1-CB 3.98Å; I18-K792 HydrophobicContact CG1-CG 3.92Å; I18-W796 HydrophobicContact CD1-CH2 3.24Å; I18-W796 HydrophobicContact CD1-CZ2 4.15Å; I18-W796 HydrophobicContact CD1-CZ3 3.75Å; I18-W796 HydrophobicContact CG1-CH2 4.2Å |
| 19 | A | 38.9 | Very low | 41.8 | Very low | 17 Ų | 17 | 34 Ų | 34 | 14% | 0.14 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 8.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | F15 L752 F785 | F15-A19 VanDerWaalsContact O-CB 3.24Å; F15-A19 WeakPolarHBondContact O-CB 2.99Å; F15-A19 PolarHBondContact O-N 2.66Å; A19-L752 HydrophobicContact CB-CD1 3.18Å; A19-L752 HydrophobicContact CB-CD2 3.93Å; A19-L752 HydrophobicContact CB-CG 4.05Å; A19-F785 HydrophobicContact CB-CE2 3.79Å |
| 20 | K | 44.2 | Very low | 42.2 | Very low | 18 Ų | 18 | 36.8 Ų | 36.8 | 8% | 0.078 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -151.1 | 4.3 | -174.7 | -139.4 | -170.7 | 163.7 | 165.6 | 0 | 118.9 | I18 D22 L23 Y846 L848 L849 | I18-K20 PolarHBondContact O-N 2.9Å; K20-D22 PolarHBondContact O-N 3.3Å; K20-L23 HydrophobicContact CD-CB 3.9Å; K20-L23 HydrophobicContact CD-CD2 4.31Å; K20-L23 HydrophobicContact CG-CB 3.26Å; K20-L23 HydrophobicContact CG-CD2 4.48Å; K20-L23 HydrophobicContact CG-CG 4.36Å; K20-L23 PolarHBondContact O-N 2.96Å; K20-Y846 HydrophobicContact CB-CD1 4.22Å; K20-Y846 HydrophobicContact CB-CE1 4.36Å; K20-L848 PolarHBondContact NZ-O 2.99Å; K20-L849 HydrophobicContact CD-CD1 3.99Å; K20-L849 HydrophobicContact CD-CD2 3.69Å; K20-L849 HydrophobicContact CD-CG 3.48Å; K20-L849 VanDerWaalsContact CD-CG 3.48Å |
| 21 | Q | 46.9 | Very low | 42.8 | Very low | 83 Ų | 83 | 43.9 Ų | 43.9 | 39% | 0.388 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -30.2 | 175 | -122.9 | 179.6 | 5.1 | 0 | 0 | 111.2 | T24 E845 | Q21-T24 PolarHBondContact O-OG1 3.41Å; Q21-E845 PolarHBondContact NE2-OE2 3.34Å |
| 22 | D | 50 | Low | 43.2 | Very low | 51 Ų | 51 | 50.7 Ų | 50.7 | 27% | 0.273 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | 16.5 | 174.3 | -71.1 | -31.8 | 0 | 0 | 0 | 117.4 | K20 T24 L25 S26 L788 | K20-D22 PolarHBondContact O-N 3.3Å; D22-T24 PolarHBondContact O-N 3.27Å; D22-L25 HydrophobicContact CB-CB 4.18Å; D22-L25 PolarHBondContact O-N 3.49Å; D22-L25 WeakPolarHBondContact OD1-CB 3.36Å; D22-S26 WeakPolarHBondContact O-CB 3.48Å; D22-S26 PolarHBondContact O-N 3.35Å; D22-S26 PolarHBondContact O-OG 3.35Å; D22-L788 HydrophobicContact CB-CD1 4.12Å |
| 23 | L | 49.6 | Very low | 43.5 | Very low | 53 Ų | 53 | 56.3 Ų | 56.3 | 28% | 0.277 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.7 | -22 | 156.9 | -154.1 | 86.6 | 0 | 0 | 0 | 109.5 | K20 S26 I27 L852 | K20-L23 HydrophobicContact CD-CB 3.9Å; K20-L23 HydrophobicContact CD-CD2 4.31Å; K20-L23 HydrophobicContact CG-CB 3.26Å; K20-L23 HydrophobicContact CG-CD2 4.48Å; K20-L23 HydrophobicContact CG-CG 4.36Å; K20-L23 PolarHBondContact O-N 2.96Å; L23-S26 WeakPolarHBondContact CA-OG 3.19Å; L23-S26 PolarHBondContact O-OG 3.21Å; L23-I27 HydrophobicContact CB-CD1 4.41Å; L23-I27 HydrophobicContact CD2-CD1 3.38Å; L23-I27 HydrophobicContact CD2-CG1 4.15Å; L23-I27 HydrophobicContact CG-CD1 3.64Å; L23-I27 HydrophobicContact CG-CG1 3.96Å; L23-I27 WeakPolarHBondContact O-CA 3.43Å; L23-I27 WeakPolarHBondContact O-CB 3.4Å; L23-I27 VanDerWaalsContact O-CD1 3.29Å; L23-I27 WeakPolarHBondContact O-CD1 3.2Å; L23-I27 WeakPolarHBondContact O-CG1 3.05Å; L23-I27 PolarHBondContact O-N 3.1Å; L23-L852 HydrophobicContact CD2-CD1 3.71Å |
| 24 | T | 44.4 | Very low | 44 | Very low | 55 Ų | 55 | 58.1 Ų | 58.1 | 34% | 0.337 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.9 | -47.2 | 172.1 | 64.8 | 0 | 0 | 0 | 0 | 111.7 | Q21 D22 I27 L28 L848 | Q21-T24 PolarHBondContact O-OG1 3.41Å; D22-T24 PolarHBondContact O-N 3.27Å; T24-I27 CarbonylContact O-C 3.49Å; T24-I27 PolarHBondContact O-N 3.24Å; T24-L28 VanDerWaalsContact O-CB 3.29Å; T24-L28 WeakPolarHBondContact O-CB 3.32Å; T24-L28 WeakPolarHBondContact O-CG 3.49Å; T24-L28 PolarHBondContact O-N 3.36Å; T24-L848 HydrophobicContact CG2-CB 4.49Å; T24-L848 HydrophobicContact CG2-CD1 3.2Å; T24-L848 HydrophobicContact CG2-CG 3.73Å |
| 25 | L | 44.1 | Very low | 44.6 | Very low | 98 Ų | 98 | 62.4 Ų | 62.4 | 51% | 0.513 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -77.3 | -30.9 | -179.6 | -148.6 | 140.6 | 0 | 0 | 0 | 111.3 | D22 C29 | D22-L25 HydrophobicContact CB-CB 4.18Å; D22-L25 PolarHBondContact O-N 3.49Å; D22-L25 WeakPolarHBondContact OD1-CB 3.36Å; L25-C29 WeakPolarHBondContact O-CA 2.92Å; L25-C29 WeakPolarHBondContact O-CB 3.47Å; L25-C29 PolarHBondContact O-N 2.99Å; L25-C29 PolarHBondContact O-SG 2.63Å |
| 26 | S | 42.9 | Very low | 45.1 | Very low | 53 Ų | 53 | 63.5 Ų | 63.5 | 37% | 0.371 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -75.9 | -27.8 | 168.5 | 77.9 | 0 | 0 | 0 | 0 | 112.9 | D22 L23 F30 | D22-S26 WeakPolarHBondContact O-CB 3.48Å; D22-S26 PolarHBondContact O-N 3.35Å; D22-S26 PolarHBondContact O-OG 3.35Å; L23-S26 WeakPolarHBondContact CA-OG 3.19Å; L23-S26 PolarHBondContact O-OG 3.21Å; S26-F30 WeakPolarHBondContact O-CA 3.02Å; S26-F30 WeakPolarHBondContact O-CB 3.33Å; S26-F30 PolarHBondContact O-N 2.66Å |
| 27 | I | 47 | Very low | 45.6 | Very low | 43 Ų | 43 | 69.4 Ų | 69.4 | 22% | 0.221 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -74.6 | -36.8 | 169.7 | -76.6 | 163.9 | 0 | 0 | 0 | 110.1 | L23 T24 F30 W31 L848 | L23-I27 HydrophobicContact CB-CD1 4.41Å; L23-I27 HydrophobicContact CD2-CD1 3.38Å; L23-I27 HydrophobicContact CD2-CG1 4.15Å; L23-I27 HydrophobicContact CG-CD1 3.64Å; L23-I27 HydrophobicContact CG-CG1 3.96Å; L23-I27 WeakPolarHBondContact O-CA 3.43Å; L23-I27 WeakPolarHBondContact O-CB 3.4Å; L23-I27 VanDerWaalsContact O-CD1 3.29Å; L23-I27 WeakPolarHBondContact O-CD1 3.2Å; L23-I27 WeakPolarHBondContact O-CG1 3.05Å; L23-I27 PolarHBondContact O-N 3.1Å; T24-I27 CarbonylContact O-C 3.49Å; T24-I27 PolarHBondContact O-N 3.24Å; I27-F30 CarbonylContact O-C 3.55Å; I27-F30 WeakPolarHBondContact O-CB 3.38Å; I27-F30 PolarHBondContact O-N 3.11Å; I27-W31 WeakPolarHBondContact O-CB 3.2Å; I27-W31 PolarHBondContact O-N 3.44Å; I27-L848 HydrophobicContact CB-CD1 4.48Å; I27-L848 HydrophobicContact CD1-CD1 3.86Å |
| 28 | L | 46.3 | Very low | 46.7 | Very low | 98 Ų | 98 | 72.5 Ų | 72.5 | 51% | 0.513 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -71.2 | -44.6 | 173.2 | -86.7 | 164.2 | 0 | 0 | 0 | 110.6 | T24 F30 W31 F32 | T24-L28 VanDerWaalsContact O-CB 3.29Å; T24-L28 WeakPolarHBondContact O-CB 3.32Å; T24-L28 WeakPolarHBondContact O-CG 3.49Å; T24-L28 PolarHBondContact O-N 3.36Å; L28-F30 VanDerWaalsContact C-N 3.26Å; L28-F30 PolarHBondContact O-N 2.67Å; L28-W31 CarbonylContact O-C 3.59Å; L28-W31 PolarHBondContact O-N 2.68Å; L28-W31 VanDerWaalsContact O-N 3.11Å; L28-F32 HydrophobicContact CD2-CE2 4.5Å; L28-F32 WeakPolarHBondContact O-CB 2.98Å; L28-F32 VanDerWaalsContact O-CD2 3.26Å; L28-F32 WeakPolarHBondContact O-CD2 3.39Å; L28-F32 PolarHBondContact O-N 2.83Å |
| 29 | C | 41.3 | Very low | 47.5 | Very low | 58 Ų | 58 | 77.8 Ų | 77.8 | 39% | 0.392 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62 | -36.3 | 168.8 | -76.4 | 0 | 0 | 0 | 0 | 110.4 | L25 F32 L33 | L25-C29 WeakPolarHBondContact O-CA 2.92Å; L25-C29 WeakPolarHBondContact O-CB 3.47Å; L25-C29 PolarHBondContact O-N 2.99Å; L25-C29 PolarHBondContact O-SG 2.63Å; C29-F32 PolarHBondContact O-N 3.41Å; C29-L33 HydrophobicContact CB-CD1 4.46Å; C29-L33 WeakPolarHBondContact O-CA 3.37Å; C29-L33 WeakPolarHBondContact O-CB 3.11Å; C29-L33 WeakPolarHBondContact O-CD1 3.26Å; C29-L33 WeakPolarHBondContact O-CG 3.45Å; C29-L33 PolarHBondContact O-N 3.4Å |
| 30 | F | 48 | Very low | 47.8 | Very low | 67 Ų | 67 | 80.9 Ų | 80.9 | 29% | 0.294 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67.3 | -36.2 | 171.6 | 170.9 | -94 | 0 | 0 | 0 | 110.8 | S26 I27 L28 L34 F773 | S26-F30 WeakPolarHBondContact O-CA 3.02Å; S26-F30 WeakPolarHBondContact O-CB 3.33Å; S26-F30 PolarHBondContact O-N 2.66Å; I27-F30 CarbonylContact O-C 3.55Å; I27-F30 WeakPolarHBondContact O-CB 3.38Å; I27-F30 PolarHBondContact O-N 3.11Å; L28-F30 VanDerWaalsContact C-N 3.26Å; L28-F30 PolarHBondContact O-N 2.67Å; F30-L34 HydrophobicContact CE1-CD2 4.19Å; F30-L34 HydrophobicContact CE2-CD1 4.38Å; F30-L34 HydrophobicContact CZ-CD1 4.02Å; F30-L34 HydrophobicContact CZ-CD2 4.47Å; F30-L34 VanDerWaalsContact O-CA 3.28Å; F30-L34 WeakPolarHBondContact O-CA 3.27Å; F30-L34 WeakPolarHBondContact O-CB 3.46Å; F30-L34 PolarHBondContact O-N 3.37Å; F30-F773 HydrophobicContact CE2-CE1 4.02Å; F30-F773 AromaticContact CE2-CZ 3.71Å; F30-F773 HydrophobicContact CE2-CZ 3.71Å; F30-F773 HydrophobicContact CZ-CZ 4.22Å |
| 31 | W | 52.1 | Low | 47.8 | Very low | 152 Ų | 152 | 83.9 Ų | 83.9 | 58% | 0.576 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -74.9 | -35.7 | 174.4 | -87.2 | 108.9 | 0 | 0 | 0 | 111.2 | I27 L28 L34 L35 | I27-W31 WeakPolarHBondContact O-CB 3.2Å; I27-W31 PolarHBondContact O-N 3.44Å; L28-W31 CarbonylContact O-C 3.59Å; L28-W31 PolarHBondContact O-N 2.68Å; L28-W31 VanDerWaalsContact O-N 3.11Å; W31-L34 HydrophobicContact CE3-CD2 4.1Å; W31-L34 HydrophobicContact CZ3-CD2 4.05Å; W31-L35 WeakPolarHBondContact O-CA 3.15Å; W31-L35 WeakPolarHBondContact O-CB 3.05Å; W31-L35 PolarHBondContact O-N 3.43Å |
| 32 | F | 48.6 | Very low | 47.8 | Very low | 146 Ų | 146 | 84.7 Ų | 84.7 | 64% | 0.64 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -72.8 | -33 | 174.2 | -90.3 | -75.5 | 0 | 0 | 0 | 111.7 | L28 C29 G36 | L28-F32 HydrophobicContact CD2-CE2 4.5Å; L28-F32 WeakPolarHBondContact O-CB 2.98Å; L28-F32 VanDerWaalsContact O-CD2 3.26Å; L28-F32 WeakPolarHBondContact O-CD2 3.39Å; L28-F32 PolarHBondContact O-N 2.83Å; C29-F32 PolarHBondContact O-N 3.41Å; F32-G36 VanDerWaalsContact O-CA 3.27Å; F32-G36 WeakPolarHBondContact O-CA 3.38Å; F32-G36 PolarHBondContact O-N 2.97Å |
| 33 | L | 45.3 | Very low | 47.7 | Very low | 119 Ų | 119 | 90.8 Ų | 90.8 | 62% | 0.623 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -84.2 | -30.5 | 174.6 | -71.2 | 166.3 | 0 | 0 | 0 | 111.3 | C29 G36 Y37 | C29-L33 HydrophobicContact CB-CD1 4.46Å; C29-L33 WeakPolarHBondContact O-CA 3.37Å; C29-L33 WeakPolarHBondContact O-CB 3.11Å; C29-L33 WeakPolarHBondContact O-CD1 3.26Å; C29-L33 WeakPolarHBondContact O-CG 3.45Å; C29-L33 PolarHBondContact O-N 3.4Å; L33-G36 CarbonylContact O-C 3.46Å; L33-Y37 WeakPolarHBondContact O-CA 3.19Å; L33-Y37 WeakPolarHBondContact O-CB 3.34Å; L33-Y37 PolarHBondContact O-N 2.85Å |
| 34 | L | 47.9 | Very low | 47.3 | Very low | 61 Ų | 61 | 91.9 Ų | 91.9 | 32% | 0.319 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -74.7 | -41.2 | 171.7 | -172.6 | 88.6 | 0 | 0 | 0 | 108.7 | F30 W31 Y37 V38 | F30-L34 HydrophobicContact CE1-CD2 4.19Å; F30-L34 HydrophobicContact CE2-CD1 4.38Å; F30-L34 HydrophobicContact CZ-CD1 4.02Å; F30-L34 HydrophobicContact CZ-CD2 4.47Å; F30-L34 VanDerWaalsContact O-CA 3.28Å; F30-L34 WeakPolarHBondContact O-CA 3.27Å; F30-L34 WeakPolarHBondContact O-CB 3.46Å; F30-L34 PolarHBondContact O-N 3.37Å; W31-L34 HydrophobicContact CE3-CD2 4.1Å; W31-L34 HydrophobicContact CZ3-CD2 4.05Å; L34-Y37 PolarHBondContact O-N 3.19Å; L34-V38 HydrophobicContact CG-CG2 4.34Å; L34-V38 WeakPolarHBondContact O-CA 3.28Å; L34-V38 WeakPolarHBondContact O-CB 3.33Å; L34-V38 WeakPolarHBondContact O-CG2 3.39Å; L34-V38 PolarHBondContact O-N 2.94Å |
| 35 | L | 49.8 | Very low | 47.6 | Very low | 94 Ų | 94 | 92.6 Ų | 92.6 | 49% | 0.492 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.2 | -42.8 | 170.7 | -168.8 | 75.2 | 0 | 0 | 0 | 109.9 | W31 V38 L39 | W31-L35 WeakPolarHBondContact O-CA 3.15Å; W31-L35 WeakPolarHBondContact O-CB 3.05Å; W31-L35 PolarHBondContact O-N 3.43Å; L35-V38 PolarHBondContact O-N 3.19Å; L35-L39 HydrophobicContact CD1-CD1 4.49Å; L35-L39 HydrophobicContact CG-CD1 3.91Å; L35-L39 WeakPolarHBondContact O-CB 3.23Å; L35-L39 WeakPolarHBondContact O-CD1 3.49Å; L35-L39 WeakPolarHBondContact O-CG 3.46Å; L35-L39 PolarHBondContact O-N 2.89Å |
| 36 | G | 45.3 | Very low | 47.7 | Very low | 23 Ų | 23 | 90.1 Ų | 90.1 | 24% | 0.237 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -62 | -43 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F32 L33 L40 | F32-G36 VanDerWaalsContact O-CA 3.27Å; F32-G36 WeakPolarHBondContact O-CA 3.38Å; F32-G36 PolarHBondContact O-N 2.97Å; L33-G36 CarbonylContact O-C 3.46Å; G36-L40 WeakPolarHBondContact O-CA 3.35Å; G36-L40 WeakPolarHBondContact O-CB 3.28Å; G36-L40 WeakPolarHBondContact O-CD1 3.44Å; G36-L40 WeakPolarHBondContact O-CG 3.27Å; G36-L40 PolarHBondContact O-N 3.12Å |
| 37 | Y | 49.5 | Very low | 47.9 | Very low | 140 Ų | 140 | 91 Ų | 91 | 55% | 0.549 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -73.9 | -38 | 179.2 | -170.7 | -96.4 | 0 | 0 | 0 | 111 | L33 L34 L40 L41 | L33-Y37 WeakPolarHBondContact O-CA 3.19Å; L33-Y37 WeakPolarHBondContact O-CB 3.34Å; L33-Y37 PolarHBondContact O-N 2.85Å; L34-Y37 PolarHBondContact O-N 3.19Å; Y37-L40 CarbonylContact O-C 3.49Å; Y37-L40 PolarHBondContact O-N 3.14Å; Y37-L41 HydrophobicContact CD1-CD1 4.05Å; Y37-L41 HydrophobicContact CD1-CD2 4.47Å; Y37-L41 HydrophobicContact CD1-CG 3.98Å; Y37-L41 HydrophobicContact CE1-CD1 4.11Å; Y37-L41 HydrophobicContact CE1-CD2 3.93Å; Y37-L41 HydrophobicContact CE1-CG 3.95Å; Y37-L41 WeakPolarHBondContact O-CA 3.12Å; Y37-L41 VanDerWaalsContact O-CB 3.25Å; Y37-L41 WeakPolarHBondContact O-CB 3.29Å; Y37-L41 WeakPolarHBondContact O-CG 3.33Å; Y37-L41 PolarHBondContact O-N 3.16Å |
| 38 | V | 62.6 | Low | 47.7 | Very low | 84 Ų | 84 | 93.3 Ų | 93.3 | 51% | 0.509 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.2 | -37.3 | 173.7 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | L34 L35 | L34-V38 HydrophobicContact CG-CG2 4.34Å; L34-V38 WeakPolarHBondContact O-CA 3.28Å; L34-V38 WeakPolarHBondContact O-CB 3.33Å; L34-V38 WeakPolarHBondContact O-CG2 3.39Å; L34-V38 PolarHBondContact O-N 2.94Å; L35-V38 PolarHBondContact O-N 3.19Å |
| 39 | L | 53 | Low | 47.7 | Very low | 121 Ų | 121 | 98.8 Ų | 98.8 | 63% | 0.634 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -76.5 | -28.2 | 174 | -69.3 | 169.6 | 0 | 0 | 0 | 112.9 | L35 P42 | L35-L39 HydrophobicContact CD1-CD1 4.49Å; L35-L39 HydrophobicContact CG-CD1 3.91Å; L35-L39 WeakPolarHBondContact O-CB 3.23Å; L35-L39 WeakPolarHBondContact O-CD1 3.49Å; L35-L39 WeakPolarHBondContact O-CG 3.46Å; L35-L39 PolarHBondContact O-N 2.89Å; L39-P42 WeakPolarHBondContact O-CD 3.21Å |
| 40 | L | 44.5 | Very low | 47.9 | Very low | 82 Ų | 82 | 103.1 Ų | 103.1 | 43% | 0.429 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -93.3 | -11.6 | 177.7 | -72.2 | 163.7 | 0 | 0 | 0 | 113.5 | G36 Y37 P42 W43 L44 | G36-L40 WeakPolarHBondContact O-CA 3.35Å; G36-L40 WeakPolarHBondContact O-CB 3.28Å; G36-L40 WeakPolarHBondContact O-CD1 3.44Å; G36-L40 WeakPolarHBondContact O-CG 3.27Å; G36-L40 PolarHBondContact O-N 3.12Å; Y37-L40 CarbonylContact O-C 3.49Å; Y37-L40 PolarHBondContact O-N 3.14Å; L40-P42 VanDerWaalsContact C-CD 3.41Å; L40-P42 VanDerWaalsContact C-N 3.28Å; L40-W43 HydrophobicContact CD2-CB 4.31Å; L40-W43 CarbonylContact O-C 3.46Å; L40-W43 WeakPolarHBondContact O-CA 3.49Å; L40-W43 PolarHBondContact O-N 2.88Å; L40-L44 HydrophobicContact CB-CD1 3.85Å; L40-L44 HydrophobicContact CB-CG 4.23Å; L40-L44 WeakPolarHBondContact O-CB 3.29Å; L40-L44 PolarHBondContact O-N 3.45Å |
| 41 | L | 44.7 | Very low | 47.6 | Very low | 80 Ų | 80 | 107.4 Ų | 107.4 | 42% | 0.419 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -53.4 | -38.9 | 175.6 | -97.5 | 170.8 | 0 | 0 | 0 | 112.4 | Y37 W43 S45 | Y37-L41 HydrophobicContact CD1-CD1 4.05Å; Y37-L41 HydrophobicContact CD1-CD2 4.47Å; Y37-L41 HydrophobicContact CD1-CG 3.98Å; Y37-L41 HydrophobicContact CE1-CD1 4.11Å; Y37-L41 HydrophobicContact CE1-CD2 3.93Å; Y37-L41 HydrophobicContact CE1-CG 3.95Å; Y37-L41 WeakPolarHBondContact O-CA 3.12Å; Y37-L41 VanDerWaalsContact O-CB 3.25Å; Y37-L41 WeakPolarHBondContact O-CB 3.29Å; Y37-L41 WeakPolarHBondContact O-CG 3.33Å; Y37-L41 PolarHBondContact O-N 3.16Å; L41-W43 VanDerWaalsContact C-N 3.3Å; L41-W43 PolarHBondContact O-N 2.93Å; L41-S45 WeakPolarHBondContact O-CB 3.3Å; L41-S45 PolarHBondContact O-N 2.84Å; L41-S45 PolarHBondContact O-OG 3.04Å |
| 42 | P | 47.8 | Very low | 47.2 | Very low | 101 Ų | 101 | 106 Ų | 106 | 66% | 0.656 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.3 | -28.2 | 172.4 | -20 | 32.8 | 0 | 0 | 0 | 113.8 | L39 L40 S45 | L39-P42 WeakPolarHBondContact O-CD 3.21Å; L40-P42 VanDerWaalsContact C-CD 3.41Å; L40-P42 VanDerWaalsContact C-N 3.28Å; P42-S45 PolarHBondContact O-OG 2.89Å |
| 43 | W | 46 | Very low | 47 | Very low | 179 Ų | 179 | 109.7 Ų | 109.7 | 68% | 0.678 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -89.9 | -40.5 | -175.4 | -150.3 | 78 | 0 | 0 | 0 | 112.3 | L40 L41 G46 I47 | L40-W43 HydrophobicContact CD2-CB 4.31Å; L40-W43 CarbonylContact O-C 3.46Å; L40-W43 WeakPolarHBondContact O-CA 3.49Å; L40-W43 PolarHBondContact O-N 2.88Å; L41-W43 VanDerWaalsContact C-N 3.3Å; L41-W43 PolarHBondContact O-N 2.93Å; W43-G46 PolarHBondContact O-N 2.68Å; W43-I47 HydrophobicContact CD2-CD1 4.42Å; W43-I47 HydrophobicContact CE3-CD1 3.6Å; W43-I47 HydrophobicContact CH2-CD1 3.9Å; W43-I47 HydrophobicContact CZ3-CD1 3.3Å |
| 44 | L | 42.9 | Very low | 46.7 | Very low | 75 Ų | 75 | 114.2 Ų | 114.2 | 39% | 0.393 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -72.9 | -34.1 | 179.5 | -72.2 | 168.1 | 0 | 0 | 0 | 112.4 | L40 G46 I47 D48 | L40-L44 HydrophobicContact CB-CD1 3.85Å; L40-L44 HydrophobicContact CB-CG 4.23Å; L40-L44 WeakPolarHBondContact O-CB 3.29Å; L40-L44 PolarHBondContact O-N 3.45Å; L44-G46 PolarHBondContact O-N 3.45Å; L44-I47 PolarHBondContact O-N 3.37Å; L44-D48 WeakPolarHBondContact O-CB 3.44Å; L44-D48 PolarHBondContact O-N 2.73Å |
| 45 | S | 49.1 | Very low | 46.2 | Very low | 70 Ų | 70 | 117.7 Ų | 117.7 | 49% | 0.49 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.3 | -21.6 | 172.7 | 57.8 | 0 | 0 | 0 | 0 | 113.3 | L41 P42 | L41-S45 WeakPolarHBondContact O-CB 3.3Å; L41-S45 PolarHBondContact O-N 2.84Å; L41-S45 PolarHBondContact O-OG 3.04Å; P42-S45 PolarHBondContact O-OG 2.89Å |
| 46 | G | 47.9 | Very low | 45.3 | Very low | 46 Ų | 46 | 122.6 Ų | 122.6 | 47% | 0.474 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -76.4 | -33.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | W43 L44 | W43-G46 PolarHBondContact O-N 2.68Å; L44-G46 PolarHBondContact O-N 3.45Å |
| 47 | I | 47.1 | Very low | 44.7 | Very low | 71 Ų | 71 | 129.8 Ų | 129.8 | 36% | 0.364 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -86.2 | -33.4 | -177.9 | -64.8 | 174 | 0 | 0 | 0 | 111.5 | W43 L44 R49 Q50 W51 | W43-I47 HydrophobicContact CD2-CD1 4.42Å; W43-I47 HydrophobicContact CE3-CD1 3.6Å; W43-I47 HydrophobicContact CH2-CD1 3.9Å; W43-I47 HydrophobicContact CZ3-CD1 3.3Å; L44-I47 PolarHBondContact O-N 3.37Å; I47-R49 PolarHBondContact O-N 3.36Å; I47-Q50 CarbonylContact O-C 3.32Å; I47-Q50 WeakPolarHBondContact O-CA 3.32Å; I47-Q50 WeakPolarHBondContact O-CB 3.28Å; I47-Q50 PolarHBondContact O-N 2.73Å; I47-W51 PolarHBondContact O-N 2.7Å |
| 48 | D | 41.2 | Very low | 43.8 | Very low | 93 Ų | 93 | 128.9 Ų | 128.9 | 50% | 0.497 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -58.3 | -38 | 179.3 | -161.9 | 45 | 0 | 0 | 0 | 111.7 | L44 Q50 W51 D52 | L44-D48 WeakPolarHBondContact O-CB 3.44Å; L44-D48 PolarHBondContact O-N 2.73Å; D48-Q50 VanDerWaalsContact C-N 3.27Å; D48-Q50 PolarHBondContact O-N 3.24Å; D48-W51 PolarHBondContact O-N 3.02Å; D48-D52 PolarHBondContact O-N 2.83Å |
| 49 | R | 47.8 | Very low | 42.3 | Very low | 212 Ų | 212 | 130.9 Ų | 130.9 | 80% | 0.8 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -65.7 | -24.7 | 172.4 | -73.2 | -176.1 | -179 | 166.8 | 2.2 | 114.3 | I47 | I47-R49 PolarHBondContact O-N 3.36Å |
| 50 | Q | 44.3 | Very low | 41.1 | Very low | 150 Ų | 150 | 131 Ų | 131 | 70% | 0.701 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -89.1 | -30.9 | 175.6 | -86.8 | -172.9 | -21.4 | 0 | 0 | 112.7 | I47 D48 | I47-Q50 CarbonylContact O-C 3.32Å; I47-Q50 WeakPolarHBondContact O-CA 3.32Å; I47-Q50 WeakPolarHBondContact O-CB 3.28Å; I47-Q50 PolarHBondContact O-N 2.73Å; D48-Q50 VanDerWaalsContact C-N 3.27Å; D48-Q50 PolarHBondContact O-N 3.24Å |
| 51 | W | 43.2 | Very low | 40.3 | Very low | 157 Ų | 157 | 134.2 Ų | 134.2 | 60% | 0.595 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -75.9 | -37.8 | -176.4 | -163 | 39.6 | 0 | 0 | 0 | 112.6 | I47 D48 R53 R54 H55 | I47-W51 PolarHBondContact O-N 2.7Å; D48-W51 PolarHBondContact O-N 3.02Å; W51-R53 PolarHBondContact O-N 3.39Å; W51-R54 PolarHBondContact O-N 3.39Å; W51-H55 AromaticContact CD1-CD2 3.81Å; W51-H55 AromaticContact CE2-CD2 3.74Å; W51-H55 AromaticContact NE1-CD2 3.09Å; W51-H55 PolarHBondContact NE1-CD2 2.89Å; W51-H55 AromaticContact NE1-NE2 3.4Å; W51-H55 PolarHBondContact NE1-NE2 3.35Å |
| 52 | D | 42.4 | Very low | 39.5 | Very low | 122 Ų | 122 | 139.5 Ų | 139.5 | 65% | 0.652 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -19.1 | 177.8 | -107.9 | -3.7 | 0 | 0 | 0 | 114 | D48 | D48-D52 PolarHBondContact O-N 2.83Š|
| 53 | R | 44.7 | Very low | 38.4 | Very low | 224 Ų | 224 | 145.1 Ų | 145.1 | 85% | 0.845 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -17.7 | 175.1 | -76.1 | -173.2 | 177.3 | 177.6 | 0 | 114.2 | W51 | W51-R53 PolarHBondContact O-N 3.39Š|
| 54 | R | 39.8 | Very low | 37.4 | Very low | 213 Ų | 213 | 143 Ų | 143 | 80% | 0.804 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.8 | -13.4 | -169.2 | -77.6 | -170.4 | -179.4 | 178.2 | 1.8 | 116.4 | W51 | W51-R54 PolarHBondContact O-N 3.39Š|
| 55 | H | 35.6 | Very low | 36.5 | Very low | 135 Ų | 135 | 147 Ų | 147 | 63% | 0.625 | 72% | 0.718 | S | S | * | * | trans | -120.5 | 36 | -175 | -68.1 | -32.7 | 0 | 0 | 0 | 115.2 | W51 E57 | W51-H55 AromaticContact CD1-CD2 3.81Å; W51-H55 AromaticContact CE2-CD2 3.74Å; W51-H55 AromaticContact NE1-CD2 3.09Å; W51-H55 PolarHBondContact NE1-CD2 2.89Å; W51-H55 AromaticContact NE1-NE2 3.4Å; W51-H55 PolarHBondContact NE1-NE2 3.35Å; H55-E57 PolarHBondContact O-N 3.13Å; H55-E57 VanDerWaalsContact O-N 3.13Å | ||
| 56 | K | 32.3 | Very low | 35.3 | Very low | 196 Ų | 196 | 155.8 Ų | 155.8 | 85% | 0.852 | 74% | 0.741 | S | S | * | * | trans | -78 | 58.6 | 155 | -75.5 | -172.1 | 174.9 | 180 | 0 | 111.3 | ||||
| 57 | E | 31.9 | Very low | 34.2 | Very low | 174 Ų | 174 | 157.5 Ų | 157.5 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -145.9 | 128.8 | 158.1 | -73.2 | -165.1 | 169.2 | 0 | 0 | 110 | H55 | H55-E57 PolarHBondContact O-N 3.13Å; H55-E57 VanDerWaalsContact O-N 3.13Å |
| 58 | P | 31.1 | Very low | 33.3 | Very low | 121 Ų | 121 | 159.6 Ų | 159.6 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 130.2 | -167.2 | 33.3 | -32.2 | 0 | 0 | 0 | 112.3 | ||
| 59 | P | 32 | Very low | 32.6 | Very low | 126 Ų | 126 | 158.5 Ų | 158.5 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 127.3 | 176 | 30.9 | -30.1 | 0 | 0 | 0 | 111.6 | ||
| 60 | T | 27.8 | Very low | 31.7 | Very low | 124 Ų | 124 | 157 Ų | 157 | 76% | 0.761 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 131.3 | 177.8 | 49.6 | 0 | 0 | 0 | 0 | 113.6 | K62 | T60-K62 PolarHBondContact O-N 3Š|
| 61 | V | 27.4 | Very low | 30.8 | Very low | 149 Ų | 149 | 158.8 Ų | 158.8 | 90% | 0.903 | 81% | 0.808 | S | S | * | * | trans | -66 | 104.5 | 176.2 | 178.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 62 | K | 26.8 | Very low | 30.2 | Very low | 192 Ų | 192 | 159.8 Ų | 159.8 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | trans | -91.3 | 102.4 | 167.4 | -83.4 | -175 | 178 | 177.5 | 0 | 110.7 | T60 C64 | T60-K62 PolarHBondContact O-N 3Å; K62-C64 PolarHBondContact O-N 3.15Å | ||
| 63 | R | 24 | Very low | 29.6 | Very low | 218 Ų | 218 | 157 Ų | 157 | 82% | 0.823 | 82% | 0.817 | S | S | * | * | trans | -10.3 | 96.7 | 148.5 | -162.6 | 177.4 | -158.9 | 163.8 | 4.3 | 115.5 | ||||
| 64 | C | 25.7 | Very low | 28.9 | Very low | 135 Ų | 135 | 156.2 Ų | 156.2 | 91% | 0.912 | 82% | 0.819 | S | S | * | * | trans | -108.3 | 76.9 | 154.7 | -98.9 | 0 | 0 | 0 | 0 | 108.6 | K62 | K62-C64 PolarHBondContact O-N 3.15Š| ||
| 65 | Q | 25.3 | Very low | 28.8 | Very low | 158 Ų | 158 | 147.9 Ų | 147.9 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | trans | -116.8 | 94 | 158.9 | -84.5 | -177.5 | -12.8 | 0 | 0 | 106 | ||||
| 66 | R | 23.4 | Very low | 28.7 | Very low | 255 Ų | 255 | 145.3 Ų | 145.3 | 96% | 0.962 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 177 | 114.7 | 159.1 | -101.8 | 169 | -159.7 | -164 | 3.9 | 107.4 | ||
| 67 | G | 24.4 | Very low | 29 | Very low | 83 Ų | 83 | 140.1 Ų | 140.1 | 86% | 0.856 | 77% | 0.773 | S | S | * | * | S | Bend | trans | 143.8 | -0.4 | 161.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||
| 68 | A | 27.9 | Very low | 29.2 | Very low | 114 Ų | 114 | 137.3 Ų | 137.3 | 94% | 0.942 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -106.3 | 16.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 69 | G | 27.4 | Very low | 29.7 | Very low | 71 Ų | 71 | 134.9 Ų | 134.9 | 73% | 0.732 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -115.2 | -11.8 | -166.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 70 | E | 27.9 | Very low | 30.4 | Very low | 180 Ų | 180 | 130.4 Ų | 130.4 | 84% | 0.841 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -132.5 | 20.9 | -162.1 | -72.5 | -171.7 | 159.9 | 0 | 0 | 117.2 | ||
| 71 | H | 25 | Very low | 31 | Very low | 188 Ų | 188 | 133.7 Ų | 133.7 | 87% | 0.87 | 71% | 0.71 | S | S | * | * | trans | -127.2 | 39 | 176.2 | -65.8 | -40.8 | 0 | 0 | 0 | 114.5 | G73 | H71-G73 PolarHBondContact O-N 3.48Å; H71-G73 VanDerWaalsContact O-N 3.08Å | ||
| 72 | F | 31.2 | Very low | 31.8 | Very low | 178 Ų | 178 | 129.6 Ų | 129.6 | 78% | 0.781 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -72.4 | 93.8 | 145.9 | -86 | -82.5 | 0 | 0 | 0 | 106.2 | K74 | F72-K74 PolarHBondContact O-N 3.36Š|
| 73 | G | 29.9 | Very low | 33.2 | Very low | 63 Ų | 63 | 122.5 Ų | 122.5 | 65% | 0.649 | 67% | 0.67 | S | S | * | * | trans | -51.3 | 120.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | H71 C75 | H71-G73 PolarHBondContact O-N 3.48Å; H71-G73 VanDerWaalsContact O-N 3.08Å; G73-C75 PolarHBondContact O-N 3.45Å | ||
| 74 | K | 30 | Very low | 35.3 | Very low | 207 Ų | 207 | 116.6 Ų | 116.6 | 90% | 0.9 | 66% | 0.655 | S | S | * | * | trans | -50.5 | 111.3 | 154.4 | -66 | 176.7 | 178.7 | 179.9 | 0 | 105.8 | F72 | F72-K74 PolarHBondContact O-N 3.36Š| ||
| 75 | C | 38.4 | Very low | 37.9 | Very low | 38 Ų | 38 | 112.1 Ų | 112.1 | 26% | 0.257 | 62% | 0.623 | S | S | . | * | trans | -52.2 | 142.6 | 170 | -72.9 | 0 | 0 | 0 | 0 | 108 | G73 V77 F80 | G73-C75 PolarHBondContact O-N 3.45Å; C75-V77 PolarHBondContact O-N 3.12Å; C75-F80 HydrophobicContact CB-CE2 4.2Å | ||
| 76 | P | 33.4 | Very low | 40.6 | Very low | 82 Ų | 82 | 104.9 Ų | 104.9 | 53% | 0.532 | 59% | 0.59 | S | S | . | * | trans | -62.3 | 99.6 | 157.5 | 26.5 | -28.5 | 0 | 0 | 0 | 106.3 | D78 N79 | P76-D78 PolarHBondContact O-N 3.01Å; P76-N79 PolarHBondContact O-N 2.92Å | ||
| 77 | V | 38.4 | Very low | 43.5 | Very low | 87 Ų | 87 | 99.8 Ų | 99.8 | 53% | 0.527 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -51.6 | -18.8 | 171.8 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | C75 F80 | C75-V77 PolarHBondContact O-N 3.12Å; V77-F80 PolarHBondContact O-N 3.12Å |
| 78 | D | 36.1 | Very low | 46.3 | Very low | 114 Ų | 114 | 96.2 Ų | 96.2 | 61% | 0.61 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67.8 | -34.2 | -176.6 | -58.3 | -31 | 0 | 0 | 0 | 114.2 | P76 F80 R81 S82 | P76-D78 PolarHBondContact O-N 3.01Å; D78-F80 VanDerWaalsContact C-N 3.33Å; D78-F80 PolarHBondContact O-N 2.8Å; D78-R81 PolarHBondContact O-N 2.9Å; D78-R81 VanDerWaalsContact O-N 3.13Å; D78-S82 PolarHBondContact O-N 3.48Å |
| 79 | N | 41.5 | Very low | 49.1 | Very low | 71 Ų | 71 | 92 Ų | 92 | 38% | 0.38 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71.7 | -28 | 179.2 | -71 | 11.3 | 0 | 0 | 0 | 112.8 | P76 R81 S82 | P76-N79 PolarHBondContact O-N 2.92Å; N79-R81 PolarHBondContact O-N 3.48Å; N79-S82 WeakPolarHBondContact CA-OG 3.37Å; N79-S82 PolarHBondContact O-OG 3.09Å |
| 80 | F | 46 | Very low | 51.9 | Low | 31 Ų | 31 | 95.8 Ų | 95.8 | 14% | 0.136 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -67.3 | -25.6 | 174 | -65.9 | -81.6 | 0 | 0 | 0 | 111.5 | C75 V77 D78 R131 V135 W138 R139 | C75-F80 HydrophobicContact CB-CE2 4.2Å; V77-F80 PolarHBondContact O-N 3.12Å; D78-F80 VanDerWaalsContact C-N 3.33Å; D78-F80 PolarHBondContact O-N 2.8Å; F80-R131 PolarHBondContact O-NH2 2.89Å; F80-V135 HydrophobicContact CD1-CG1 4.04Å; F80-V135 HydrophobicContact CD1-CG2 4.42Å; F80-V135 HydrophobicContact CE1-CG1 3.98Å; F80-W138 HydrophobicContact CD1-CB 4.43Å; F80-W138 HydrophobicContact CE1-CB 3.65Å; F80-W138 HydrophobicContact CZ-CB 3.91Å; F80-R139 HydrophobicContact CE1-CG 4.07Å; F80-R139 HydrophobicContact CZ-CG 4.11Å |
| 81 | R | 41.1 | Very low | 54.6 | Low | 193 Ų | 193 | 88.4 Ų | 88.4 | 73% | 0.728 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -93.9 | -28.8 | 179 | -67.2 | -178.9 | 171.6 | -166.1 | -5.4 | 113 | D78 N79 G83 | D78-R81 PolarHBondContact O-N 2.9Å; D78-R81 VanDerWaalsContact O-N 3.13Å; N79-R81 PolarHBondContact O-N 3.48Å; R81-G83 PolarHBondContact O-N 3.47Å |
| 82 | S | 44.6 | Very low | 57.4 | Low | 63 Ų | 63 | 80.4 Ų | 80.4 | 44% | 0.441 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -67.2 | -15.1 | -174.1 | 66.3 | 0 | 0 | 0 | 0 | 114.6 | D78 N79 D84 | D78-S82 PolarHBondContact O-N 3.48Å; N79-S82 WeakPolarHBondContact CA-OG 3.37Å; N79-S82 PolarHBondContact O-OG 3.09Å; S82-D84 WeakPolarHBondContact CB-OD2 3.29Å; S82-D84 PolarHBondContact O-N 3.04Å; S82-D84 PolarHBondContact OG-OD2 3.02Å |
| 83 | G | 54.8 | Low | 60.2 | Low | 44 Ų | 44 | 72.4 Ų | 72.4 | 45% | 0.454 | 39% | 0.385 | S | S | . | . | trans | 76 | 7.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | R81 V85 | R81-G83 PolarHBondContact O-N 3.47Å; G83-V85 PolarHBondContact O-N 2.85Å | ||
| 84 | D | 68.6 | Low | 63 | Low | 93 Ų | 93 | 72.7 Ų | 72.7 | 50% | 0.497 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 116.1 | 176.5 | -69.4 | -46.6 | 0 | 0 | 0 | 110.5 | S82 W138 | S82-D84 WeakPolarHBondContact CB-OD2 3.29Å; S82-D84 PolarHBondContact O-N 3.04Å; S82-D84 PolarHBondContact OG-OD2 3.02Å; D84-W138 PolarHBondContact O-NE1 3.36Å |
| 85 | V | 80.1 | Confident | 65.5 | Low | 42 Ų | 42 | 63.1 Ų | 63.1 | 26% | 0.255 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -86.5 | 125.4 | 176.9 | -174.5 | 0 | 0 | 0 | 0 | 108.6 | G83 V134 E276 L277 | G83-V85 PolarHBondContact O-N 2.85Å; V85-V134 HydrophobicContact CG1-CG2 4.34Å; V85-E276 HydrophobicContact CB-CB 4.37Å; V85-E276 HydrophobicContact CB-CG 4.45Å; V85-E276 HydrophobicContact CG1-CB 3.9Å; V85-E276 HydrophobicContact CG1-CG 4.49Å; V85-L277 HydrophobicContact CG1-CB 4.08Å |
| 86 | P | 82.6 | Confident | 67.7 | Low | 5 Ų | 5 | 62.8 Ų | 62.8 | 3% | 0.032 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 147.9 | 179.4 | 26.8 | -33.3 | 0 | 0 | 0 | 110.7 | V134 Y137 W138 L277 | P86-V134 HydrophobicContact CG-CG1 4.5Å; P86-Y137 HydrophobicContact CB-CD1 3.5Å; P86-Y137 VanDerWaalsContact CB-CD1 3.5Å; P86-Y137 HydrophobicContact CB-CE1 3.38Å; P86-Y137 HydrophobicContact CB-CG 4.31Å; P86-Y137 HydrophobicContact CG-CD1 3.52Å; P86-Y137 HydrophobicContact CG-CE1 3.95Å; P86-Y137 HydrophobicContact CG-CG 3.95Å; P86-W138 HydrophobicContact CB-CH2 3.92Å; P86-W138 HydrophobicContact CB-CZ2 3.71Å; P86-W138 HydrophobicContact CB-CZ3 4.48Å; P86-W138 HydrophobicContact CG-CZ2 4.17Å; P86-L277 HydrophobicContact CG-CB 3.99Å; P86-L277 HydrophobicContact CG-CD2 3.73Å; P86-L277 WeakPolarHBondContact O-CB 3.38Å; P86-L277 PolarHBondContact O-N 2.97Å |
| 87 | R | 84.3 | Confident | 70.4 | Confident | 149 Ų | 149 | 61.2 Ų | 61.2 | 56% | 0.562 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 134.1 | 175.5 | -64.1 | -174.7 | 178.4 | -178.7 | -1.7 | 111.5 | S273 I275 | R87-S273 WeakPolarHBondContact CB-O 3.37Å; R87-I275 CarbonylContact C-O 3.59Å; R87-I275 WeakPolarHBondContact CA-O 3.42Å |
| 88 | V | 84.2 | Confident | 72.9 | Confident | 7 Ų | 7 | 58.7 Ų | 58.7 | 4% | 0.042 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 151.6 | -171.7 | 179.9 | 0 | 0 | 0 | 0 | 110.2 | V92 Y137 I275 L277 | V88-V92 HydrophobicContact CG1-CB 3.79Å; V88-V92 HydrophobicContact CG1-CG1 3.77Å; V88-Y137 HydrophobicContact CG2-CD2 4.42Å; V88-Y137 HydrophobicContact CG2-CE2 3.77Å; V88-I275 PolarHBondContact N-O 2.89Å; V88-L277 HydrophobicContact CG2-CB 4.3Å; V88-L277 HydrophobicContact CG2-CD1 4.07Å |
| 89 | P | 85.4 | Confident | 75.2 | Confident | 25 Ų | 25 | 53.7 Ų | 53.7 | 16% | 0.162 | 28% | 0.277 | C | S | . | . | trans | -56.9 | 142.4 | 172.1 | -29 | 38.2 | 0 | 0 | 0 | 113.2 | S91 V92 D93 E271 A799 | P89-S91 PolarHBondContact O-N 3.46Å; P89-V92 PolarHBondContact O-N 3.47Å; P89-V92 VanDerWaalsContact O-N 3.08Å; P89-D93 PolarHBondContact O-N 3.49Å; P89-D93 VanDerWaalsContact O-N 3.08Å; P89-E271 HydrophobicContact CB-CB 3.97Å; P89-A799 HydrophobicContact CB-CB 3.81Å; P89-A799 HydrophobicContact CG-CB 3.82Å | ||
| 90 | R | 87 | Confident | 77.5 | Confident | 152 Ų | 152 | 50.9 Ų | 50.9 | 57% | 0.574 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -58.1 | -35.9 | -175.8 | -47.8 | -162.1 | 168.4 | 166.8 | -4.1 | 113.2 | V92 S94 I275 | R90-V92 VanDerWaalsContact C-N 3.34Å; R90-V92 PolarHBondContact O-N 3.25Å; R90-S94 WeakPolarHBondContact O-CB 3.39Å; R90-S94 PolarHBondContact O-N 3.02Å; R90-S94 PolarHBondContact O-OG 3.42Å; R90-I275 HydrophobicContact CB-CD1 4Å; R90-I275 HydrophobicContact CG-CD1 3.39Å; R90-I275 HydrophobicContact CG-CG1 3.89Å |
| 91 | S | 84.8 | Confident | 79.7 | Confident | 24 Ų | 24 | 51.7 Ų | 51.7 | 17% | 0.168 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.4 | -39.1 | 178.9 | 53.8 | 0 | 0 | 0 | 0 | 112.5 | P89 S94 A95 E271 A803 | P89-S91 PolarHBondContact O-N 3.46Å; S91-S94 PolarHBondContact O-OG 3.45Å; S91-A95 WeakPolarHBondContact O-CB 3.43Å; S91-A95 PolarHBondContact O-N 2.86Å; S91-E271 VanDerWaalsContact CB-OE2 3.29Å; S91-E271 WeakPolarHBondContact CB-OE2 3.24Å; S91-E271 PolarHBondContact N-OE2 2.76Å; S91-E271 PolarHBondContact OG-OE2 3.39Å; S91-A803 VanDerWaalsContact O-CB 3.25Å; S91-A803 WeakPolarHBondContact O-CB 3.47Å |
| 92 | V | 83.9 | Confident | 81.9 | Confident | 21 Ų | 21 | 43.8 Ų | 43.8 | 13% | 0.127 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -75.5 | -44.2 | 179.1 | 176.6 | 0 | 0 | 0 | 0 | 110.3 | V88 P89 R90 A95 L96 A799 V802 A803 I806 | V88-V92 HydrophobicContact CG1-CB 3.79Å; V88-V92 HydrophobicContact CG1-CG1 3.77Å; P89-V92 PolarHBondContact O-N 3.47Å; P89-V92 VanDerWaalsContact O-N 3.08Å; R90-V92 VanDerWaalsContact C-N 3.34Å; R90-V92 PolarHBondContact O-N 3.25Å; V92-A95 PolarHBondContact O-N 2.98Å; V92-L96 VanDerWaalsContact O-CB 3.3Å; V92-L96 WeakPolarHBondContact O-CB 3.17Å; V92-L96 PolarHBondContact O-N 2.83Å; V92-A799 HydrophobicContact CG2-CB 4Å; V92-A799 VanDerWaalsContact CG2-O 3.25Å; V92-A799 WeakPolarHBondContact CG2-O 3.46Å; V92-V802 HydrophobicContact CG1-CG1 4.36Å; V92-V802 HydrophobicContact CG2-CB 4.33Å; V92-V802 HydrophobicContact CG2-CG1 4.36Å; V92-A803 HydrophobicContact CG2-CB 4.37Å; V92-I806 HydrophobicContact CG1-CD1 4.06Å |
| 93 | D | 88.3 | Confident | 83.9 | Confident | 10 Ų | 10 | 40.9 Ų | 40.9 | 5% | 0.053 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.7 | -52.4 | 179.7 | -174.3 | 67.1 | 0 | 0 | 0 | 112 | P89 A95 L96 Q97 L278 | P89-D93 PolarHBondContact O-N 3.49Å; P89-D93 VanDerWaalsContact O-N 3.08Å; D93-A95 VanDerWaalsContact C-N 3.34Å; D93-A95 PolarHBondContact O-N 3.35Å; D93-L96 PolarHBondContact O-N 2.85Å; D93-L96 VanDerWaalsContact O-N 3.11Å; D93-Q97 WeakPolarHBondContact O-CB 3.41Å; D93-Q97 PolarHBondContact O-N 3.23Å; D93-L278 WeakPolarHBondContact OD1-CA 3.41Å; D93-L278 PolarHBondContact OD1-N 3.26Å |
| 94 | S | 90.1 | Very high | 85.4 | Confident | 69 Ų | 69 | 39 Ų | 39 | 48% | 0.483 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.6 | -39.3 | 177.6 | 56.3 | 0 | 0 | 0 | 0 | 113.4 | R90 S91 S98 | R90-S94 WeakPolarHBondContact O-CB 3.39Å; R90-S94 PolarHBondContact O-N 3.02Å; R90-S94 PolarHBondContact O-OG 3.42Å; S91-S94 PolarHBondContact O-OG 3.45Å; S94-S98 WeakPolarHBondContact O-CB 3.36Å; S94-S98 PolarHBondContact O-N 2.88Å; S94-S98 VanDerWaalsContact O-N 3.08Å |
| 95 | A | 81.3 | Confident | 86.2 | Confident | 5 Ų | 5 | 39.1 Ų | 39.1 | 4% | 0.041 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.9 | -41.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | S91 V92 D93 S98 L99 A803 I806 R807 | S91-A95 WeakPolarHBondContact O-CB 3.43Å; S91-A95 PolarHBondContact O-N 2.86Å; V92-A95 PolarHBondContact O-N 2.98Å; D93-A95 VanDerWaalsContact C-N 3.34Å; D93-A95 PolarHBondContact O-N 3.35Å; A95-S98 PolarHBondContact O-N 3.43Å; A95-L99 PolarHBondContact O-N 3.5Å; A95-L99 VanDerWaalsContact O-N 3.11Å; A95-A803 HydrophobicContact CB-CB 4.14Å; A95-I806 VanDerWaalsContact C-CG2 3.41Å; A95-I806 HydrophobicContact CB-CB 3.93Å; A95-I806 HydrophobicContact CB-CG2 3.79Å; A95-I806 WeakPolarHBondContact O-CG2 3.42Å; A95-R807 HydrophobicContact CB-CG 4.07Å |
| 96 | L | 84.3 | Confident | 86.4 | Confident | 32 Ų | 32 | 39.5 Ų | 39.5 | 17% | 0.168 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.2 | -45.7 | 179.7 | -173.8 | 61.9 | 0 | 0 | 0 | 111.5 | V92 D93 S98 L99 L100 V133 L277 L278 I806 | V92-L96 VanDerWaalsContact O-CB 3.3Å; V92-L96 WeakPolarHBondContact O-CB 3.17Å; V92-L96 PolarHBondContact O-N 2.83Å; D93-L96 PolarHBondContact O-N 2.85Å; D93-L96 VanDerWaalsContact O-N 3.11Å; L96-S98 VanDerWaalsContact C-N 3.31Å; L96-S98 PolarHBondContact O-N 3.5Å; L96-L99 PolarHBondContact O-N 3.29Å; L96-L100 HydrophobicContact CD1-CD1 4.21Å; L96-L100 HydrophobicContact CD1-CG 4.32Å; L96-L100 HydrophobicContact CG-CD1 3.93Å; L96-L100 HydrophobicContact CG-CG 4.42Å; L96-L100 VanDerWaalsContact O-CG 3.31Å; L96-L100 WeakPolarHBondContact O-CG 3.37Å; L96-L100 PolarHBondContact O-N 2.91Å; L96-V133 HydrophobicContact CD2-CG1 3.86Å; L96-L277 HydrophobicContact CD2-CD1 3.88Å; L96-L278 HydrophobicContact CB-CD2 4.27Å; L96-L278 HydrophobicContact CD2-CD1 4.19Å; L96-L278 HydrophobicContact CD2-CD2 4.14Å; L96-L278 HydrophobicContact CD2-CG 4.2Å; L96-L278 HydrophobicContact CG-CD2 4.03Å; L96-I806 HydrophobicContact CB-CD1 4.47Å |
| 97 | Q | 91 | Very high | 86.5 | Confident | 48 Ų | 48 | 40.2 Ų | 40.2 | 22% | 0.224 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -53.5 | -50.8 | 173.6 | 176.6 | 169.7 | -5.3 | 0 | 0 | 110.6 | D93 L99 L100 D101 L278 G280 F281 | D93-Q97 WeakPolarHBondContact O-CB 3.41Å; D93-Q97 PolarHBondContact O-N 3.23Å; Q97-L99 VanDerWaalsContact C-N 3.29Å; Q97-L99 PolarHBondContact O-N 3.3Å; Q97-L100 PolarHBondContact O-N 2.87Å; Q97-L100 VanDerWaalsContact O-N 3.13Å; Q97-D101 WeakPolarHBondContact CG-OD2 3.37Å; Q97-D101 WeakPolarHBondContact O-CB 3.32Å; Q97-D101 PolarHBondContact O-N 3.43Å; Q97-L278 HydrophobicContact CB-CD2 4Å; Q97-G280 PolarHBondContact NE2-O 3.04Å; Q97-F281 HydrophobicContact CG-CB 4.19Å; Q97-F281 HydrophobicContact CG-CD2 4.06Å |
| 98 | S | 90.4 | Very high | 86.4 | Confident | 34 Ų | 34 | 34.4 Ų | 34.4 | 24% | 0.238 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.6 | -32.9 | -179.2 | -165.6 | 0 | 0 | 0 | 0 | 114 | S94 A95 L96 R810 | S94-S98 WeakPolarHBondContact O-CB 3.36Å; S94-S98 PolarHBondContact O-N 2.88Å; S94-S98 VanDerWaalsContact O-N 3.08Å; A95-S98 PolarHBondContact O-N 3.43Å; L96-S98 VanDerWaalsContact C-N 3.31Å; L96-S98 PolarHBondContact O-N 3.5Å; S98-R810 WeakPolarHBondContact OG-CD 3.45Å; S98-R810 PolarHBondContact OG-NE 3.16Å; S98-R810 PolarHBondContact OG-NH1 3.01Å |
| 99 | L | 86 | Confident | 86.2 | Confident | 9 Ų | 9 | 39.7 Ų | 39.7 | 5% | 0.047 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -71.1 | -44.4 | 173.3 | 172.7 | 63.7 | 0 | 0 | 0 | 111.7 | A95 L96 Q97 L102 C103 L243 I806 L809 R810 V813 | A95-L99 PolarHBondContact O-N 3.5Å; A95-L99 VanDerWaalsContact O-N 3.11Å; L96-L99 PolarHBondContact O-N 3.29Å; Q97-L99 VanDerWaalsContact C-N 3.29Å; Q97-L99 PolarHBondContact O-N 3.3Å; L99-L102 PolarHBondContact O-N 3.4Å; L99-C103 PolarHBondContact O-N 3.41Å; L99-C103 VanDerWaalsContact O-N 3.11Å; L99-C103 PolarHBondContact O-SG 3.09Å; L99-L243 HydrophobicContact CD2-CD2 4.19Å; L99-I806 HydrophobicContact CB-CG2 4.04Å; L99-I806 HydrophobicContact CD2-CG2 3.95Å; L99-L809 HydrophobicContact CD1-CB 4.45Å; L99-L809 HydrophobicContact CD2-CB 4.41Å; L99-R810 HydrophobicContact CB-CB 4.25Å; L99-R810 HydrophobicContact CD1-CB 4.01Å; L99-V813 HydrophobicContact CD1-CG2 4.21Å |
| 100 | L | 89.5 | Confident | 85.8 | Confident | 12 Ų | 12 | 42.7 Ų | 42.7 | 6% | 0.063 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70.5 | -38.6 | -177.6 | -67.5 | 173.3 | 0 | 0 | 0 | 111.9 | L96 Q97 L102 C103 V104 I129 V133 L239 L278 F281 | L96-L100 HydrophobicContact CD1-CD1 4.21Å; L96-L100 HydrophobicContact CD1-CG 4.32Å; L96-L100 HydrophobicContact CG-CD1 3.93Å; L96-L100 HydrophobicContact CG-CG 4.42Å; L96-L100 VanDerWaalsContact O-CG 3.31Å; L96-L100 WeakPolarHBondContact O-CG 3.37Å; L96-L100 PolarHBondContact O-N 2.91Å; Q97-L100 PolarHBondContact O-N 2.87Å; Q97-L100 VanDerWaalsContact O-N 3.13Å; L100-L102 VanDerWaalsContact C-N 3.27Å; L100-L102 PolarHBondContact O-N 2.95Å; L100-C103 WeakPolarHBondContact O-CB 3.42Å; L100-C103 PolarHBondContact O-N 3Å; L100-V104 WeakPolarHBondContact O-CG2 3.33Å; L100-V104 PolarHBondContact O-N 2.89Å; L100-I129 HydrophobicContact CD1-CG2 4.04Å; L100-I129 HydrophobicContact CD2-CG2 3.9Å; L100-I129 HydrophobicContact CG-CG2 4.41Å; L100-V133 HydrophobicContact CD1-CG2 4.04Å; L100-L239 HydrophobicContact CD2-CD2 4.15Å; L100-L278 HydrophobicContact CD1-CD1 3.38Å; L100-L278 HydrophobicContact CD1-CD2 3.96Å; L100-L278 HydrophobicContact CD1-CG 4.32Å; L100-F281 HydrophobicContact CB-CD2 4.48Å; L100-F281 HydrophobicContact CB-CE1 4.46Å; L100-F281 HydrophobicContact CB-CE2 3.73Å; L100-F281 HydrophobicContact CB-CZ 3.71Å |
| 101 | D | 90.8 | Very high | 85.5 | Confident | 49 Ų | 49 | 41.3 Ų | 41.3 | 26% | 0.262 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -55.9 | -45 | 172.9 | -80.6 | -39.1 | 0 | 0 | 0 | 111 | Q97 C103 V104 E105 R126 F281 | Q97-D101 WeakPolarHBondContact CG-OD2 3.37Å; Q97-D101 WeakPolarHBondContact O-CB 3.32Å; Q97-D101 PolarHBondContact O-N 3.43Å; D101-C103 VanDerWaalsContact C-N 3.34Å; D101-C103 PolarHBondContact O-N 3.02Å; D101-V104 PolarHBondContact O-N 2.75Å; D101-E105 VanDerWaalsContact O-CB 3.31Å; D101-E105 WeakPolarHBondContact O-CB 3.35Å; D101-E105 PolarHBondContact O-N 2.86Å; D101-R126 IonicContact OD1-NE 2.76Å; D101-F281 WeakPolarHBondContact OD1-CD2 3.45Å; D101-F281 WeakPolarHBondContact OD1-CE2 3.44Å |
| 102 | L | 88.7 | Confident | 85 | Confident | 26 Ų | 26 | 41.8 Ų | 41.8 | 14% | 0.136 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.6 | -38.6 | 175.9 | -179.8 | 63.3 | 0 | 0 | 0 | 112.5 | L99 L100 K106 R810 V813 A814 | L99-L102 PolarHBondContact O-N 3.4Å; L100-L102 VanDerWaalsContact C-N 3.27Å; L100-L102 PolarHBondContact O-N 2.95Å; L102-K106 HydrophobicContact CD1-CD 4.36Å; L102-K106 HydrophobicContact CD1-CG 4.44Å; L102-K106 HydrophobicContact CG-CD 4.32Å; L102-K106 WeakPolarHBondContact O-CB 3.29Å; L102-K106 WeakPolarHBondContact O-CD 3.44Å; L102-K106 WeakPolarHBondContact O-CG 3.3Å; L102-K106 PolarHBondContact O-N 3.48Å; L102-K106 VanDerWaalsContact O-N 3.14Å; L102-R810 HydrophobicContact CD2-CG 3.81Å; L102-R810 WeakPolarHBondContact CD2-O 3.42Å; L102-V813 HydrophobicContact CD2-CB 3.93Å; L102-V813 HydrophobicContact CD2-CG1 3.63Å; L102-V813 HydrophobicContact CG-CG1 4Å; L102-A814 HydrophobicContact CD2-CB 3.88Å |
| 103 | C | 85.7 | Confident | 84.5 | Confident | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.02 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.9 | -43.7 | 177.1 | -64.7 | 0 | 0 | 0 | 0 | 111.5 | L99 L100 D101 F107 L239 | L99-C103 PolarHBondContact O-N 3.41Å; L99-C103 VanDerWaalsContact O-N 3.11Å; L99-C103 PolarHBondContact O-SG 3.09Å; L100-C103 WeakPolarHBondContact O-CB 3.42Å; L100-C103 PolarHBondContact O-N 3Å; D101-C103 VanDerWaalsContact C-N 3.34Å; D101-C103 PolarHBondContact O-N 3.02Å; C103-F107 WeakPolarHBondContact O-CB 3.48Å; C103-F107 PolarHBondContact O-N 2.85Å; C103-L239 HydrophobicContact CB-CD2 4.13Å |
| 104 | V | 86.4 | Confident | 83.6 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.6 | -50 | 176.9 | 172 | 0 | 0 | 0 | 0 | 110.6 | L100 D101 K106 F107 F108 T122 I125 R126 I129 F281 | L100-V104 WeakPolarHBondContact O-CG2 3.33Å; L100-V104 PolarHBondContact O-N 2.89Å; D101-V104 PolarHBondContact O-N 2.75Å; V104-K106 VanDerWaalsContact C-N 3.3Å; V104-K106 PolarHBondContact O-N 3.47Å; V104-F107 PolarHBondContact O-N 2.95Å; V104-F108 VanDerWaalsContact O-CB 3.26Å; V104-F108 WeakPolarHBondContact O-CB 3.45Å; V104-F108 PolarHBondContact O-N 3.44Å; V104-T122 HydrophobicContact CG1-CG2 3.89Å; V104-I125 HydrophobicContact CG1-CG2 4.3Å; V104-I125 HydrophobicContact CG2-CG2 4.24Å; V104-R126 HydrophobicContact CG2-CG 4.48Å; V104-I129 HydrophobicContact CG2-CD1 3.27Å; V104-F281 HydrophobicContact CG2-CZ 4Å |
| 105 | E | 86 | Confident | 82.6 | Confident | 96 Ų | 96 | 57.3 Ų | 57.3 | 45% | 0.449 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -56.6 | -45.7 | -179.7 | -172.5 | -172.4 | 164.8 | 0 | 0 | 111.2 | D101 F108 K109 | D101-E105 VanDerWaalsContact O-CB 3.31Å; D101-E105 WeakPolarHBondContact O-CB 3.35Å; D101-E105 PolarHBondContact O-N 2.86Å; E105-F108 PolarHBondContact O-N 3Å; E105-K109 HydrophobicContact CG-CD 4.08Å; E105-K109 VanDerWaalsContact O-CB 3.28Å; E105-K109 WeakPolarHBondContact O-CB 3.32Å; E105-K109 VanDerWaalsContact O-CG 3.28Å; E105-K109 WeakPolarHBondContact O-CG 3.05Å; E105-K109 PolarHBondContact O-N 2.93Å; E105-K109 WeakPolarHBondContact OE1-CE 3.36Å; E105-K109 IonicContact OE1-NZ 2.82Å; E105-K109 PolarHBondContact OE1-NZ 2.85Å |
| 106 | K | 83 | Confident | 81.9 | Confident | 50 Ų | 50 | 60.2 Ų | 60.2 | 22% | 0.217 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65 | -46.8 | 177.4 | -75.2 | 174.6 | 173.1 | -139.4 | 0 | 113 | L102 V104 F108 S110 V813 A817 | L102-K106 HydrophobicContact CD1-CD 4.36Å; L102-K106 HydrophobicContact CD1-CG 4.44Å; L102-K106 HydrophobicContact CG-CD 4.32Å; L102-K106 WeakPolarHBondContact O-CB 3.29Å; L102-K106 WeakPolarHBondContact O-CD 3.44Å; L102-K106 WeakPolarHBondContact O-CG 3.3Å; L102-K106 PolarHBondContact O-N 3.48Å; L102-K106 VanDerWaalsContact O-N 3.14Å; V104-K106 VanDerWaalsContact C-N 3.3Å; V104-K106 PolarHBondContact O-N 3.47Å; K106-F108 VanDerWaalsContact C-N 3.29Å; K106-F108 PolarHBondContact O-N 3.28Å; K106-S110 PolarHBondContact O-N 2.74Å; K106-S110 VanDerWaalsContact O-N 3.12Å; K106-V813 HydrophobicContact CD-CG1 3.99Å; K106-V813 PolarHBondContact NZ-O 2.65Å; K106-A817 HydrophobicContact CD-CB 4.29Å |
| 107 | F | 85.4 | Confident | 81 | Confident | 21 Ų | 21 | 66.4 Ų | 66.4 | 9% | 0.092 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.9 | -44.4 | 179.1 | 179.9 | -100.3 | 0 | 0 | 0 | 110.2 | C103 V104 S110 W111 F230 L234 | C103-F107 WeakPolarHBondContact O-CB 3.48Å; C103-F107 PolarHBondContact O-N 2.85Å; V104-F107 PolarHBondContact O-N 2.95Å; F107-S110 WeakPolarHBondContact O-CB 3.47Å; F107-S110 PolarHBondContact O-N 3.12Å; F107-S110 PolarHBondContact O-OG 2.72Å; F107-W111 HydrophobicContact CD1-CZ2 4.43Å; F107-W111 AromaticContact CD1-NE1 3.7Å; F107-W111 HydrophobicContact CE1-CZ2 4.03Å; F107-W111 AromaticContact CE1-NE1 3.41Å; F107-W111 AromaticContact CZ-NE1 3.71Å; F107-W111 PolarHBondContact O-NE1 3.25Å; F107-F230 AromaticContact CE1-CE2 3.88Å; F107-F230 HydrophobicContact CE1-CE2 3.88Å; F107-F230 AromaticContact CE1-CZ 3.94Å; F107-F230 HydrophobicContact CE1-CZ 3.94Å; F107-F230 HydrophobicContact CZ-CE2 4.21Å; F107-L234 HydrophobicContact CD1-CD1 3.55Å; F107-L234 HydrophobicContact CD2-CD1 4.47Å; F107-L234 HydrophobicContact CE1-CB 4.29Å; F107-L234 HydrophobicContact CE1-CD1 3.63Å; F107-L234 HydrophobicContact CG-CD1 3.99Å; F107-L234 HydrophobicContact CZ-CB 4.12Å; F107-L234 HydrophobicContact CZ-CD1 4.13Å |
| 108 | F | 82 | Confident | 80 | Confident | 26 Ų | 26 | 66.1 Ų | 66.1 | 11% | 0.114 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.1 | -51.4 | 179.2 | -157.4 | -112.9 | 0 | 0 | 0 | 111.6 | V104 E105 K106 S110 W111 H112 C118 V121 I125 | V104-F108 VanDerWaalsContact O-CB 3.26Å; V104-F108 WeakPolarHBondContact O-CB 3.45Å; V104-F108 PolarHBondContact O-N 3.44Å; E105-F108 PolarHBondContact O-N 3Å; K106-F108 VanDerWaalsContact C-N 3.29Å; K106-F108 PolarHBondContact O-N 3.28Å; F108-S110 PolarHBondContact O-N 2.77Å; F108-W111 AromaticContact CD2-CH2 3.8Å; F108-W111 HydrophobicContact CD2-CH2 3.8Å; F108-W111 AromaticContact CD2-CZ2 3.77Å; F108-W111 HydrophobicContact CD2-CZ2 3.77Å; F108-W111 AromaticContact CE2-CH2 3.7Å; F108-W111 HydrophobicContact CE2-CH2 3.7Å; F108-W111 HydrophobicContact CE2-CZ2 4.16Å; F108-W111 HydrophobicContact CE2-CZ3 4.36Å; F108-W111 PolarHBondContact O-N 2.84Å; F108-H112 HydrophobicContact CD1-CB 3.74Å; F108-H112 AromaticContact CD1-CG 3.66Å; F108-H112 AromaticContact CD1-ND1 3.75Å; F108-H112 HydrophobicContact CD2-CB 4.2Å; F108-H112 HydrophobicContact CE1-CB 3.79Å; F108-H112 AromaticContact CE1-CD2 3.46Å; F108-H112 VanDerWaalsContact CE1-CD2 3.46Å; F108-H112 WeakPolarHBondContact CE1-CD2 3.33Å; F108-H112 AromaticContact CE1-CE1 3.39Å; F108-H112 WeakPolarHBondContact CE1-CE1 3.25Å; F108-H112 AromaticContact CE1-CG 3.17Å; F108-H112 AromaticContact CE1-ND1 3.14Å; F108-H112 WeakPolarHBondContact CE1-ND1 3.45Å; F108-H112 AromaticContact CE1-NE2 3.59Å; F108-H112 HydrophobicContact CE2-CB 4.21Å; F108-H112 AromaticContact CE2-CD2 3.72Å; F108-H112 AromaticContact CE2-CG 3.96Å; F108-H112 HydrophobicContact CG-CB 3.97Å; F108-H112 HydrophobicContact CZ-CB 4.03Å; F108-H112 AromaticContact CZ-CD2 3.1Å; F108-H112 WeakPolarHBondContact CZ-CD2 3.28Å; F108-H112 AromaticContact CZ-CE1 3.68Å; F108-H112 AromaticContact CZ-CG 3.34Å; F108-H112 AromaticContact CZ-ND1 3.69Å; F108-H112 AromaticContact CZ-NE2 3.35Å; F108-H112 VanDerWaalsContact CZ-NE2 3.35Å; F108-H112 WeakPolarHBondContact CZ-NE2 3.42Å; F108-H112 WeakPolarHBondContact O-CB 3.4Å; F108-H112 PolarHBondContact O-N 3.1Å; F108-C118 HydrophobicContact CZ-CB 4.03Å; F108-V121 HydrophobicContact CE2-CB 4.24Å; F108-V121 HydrophobicContact CE2-CG1 3.84Å; F108-V121 HydrophobicContact CZ-CB 4.41Å; F108-V121 HydrophobicContact CZ-CG1 4.47Å; F108-I125 HydrophobicContact CD2-CD1 4Å; F108-I125 HydrophobicContact CE2-CD1 4.24Å |
| 109 | K | 79.8 | Confident | 79.4 | Confident | 119 Ų | 119 | 68.5 Ų | 68.5 | 52% | 0.517 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -56.2 | -23 | 175.8 | -78.2 | 179.1 | 170.9 | 175.3 | 0 | 114.1 | E105 W111 | E105-K109 HydrophobicContact CG-CD 4.08Å; E105-K109 VanDerWaalsContact O-CB 3.28Å; E105-K109 WeakPolarHBondContact O-CB 3.32Å; E105-K109 VanDerWaalsContact O-CG 3.28Å; E105-K109 WeakPolarHBondContact O-CG 3.05Å; E105-K109 PolarHBondContact O-N 2.93Å; E105-K109 WeakPolarHBondContact OE1-CE 3.36Å; E105-K109 IonicContact OE1-NZ 2.82Å; E105-K109 PolarHBondContact OE1-NZ 2.85Å; K109-W111 VanDerWaalsContact C-N 3.26Å; K109-W111 PolarHBondContact O-N 2.91Å |
| 110 | S | 78.1 | Confident | 78.8 | Confident | 88 Ų | 88 | 69 Ų | 69 | 62% | 0.615 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -20.5 | -178.3 | 76.6 | 0 | 0 | 0 | 0 | 114.4 | K106 F107 F108 | K106-S110 PolarHBondContact O-N 2.74Å; K106-S110 VanDerWaalsContact O-N 3.12Å; F107-S110 WeakPolarHBondContact O-CB 3.47Å; F107-S110 PolarHBondContact O-N 3.12Å; F107-S110 PolarHBondContact O-OG 2.72Å; F108-S110 PolarHBondContact O-N 2.77Å |
| 111 | W | 80.3 | Confident | 78.4 | Confident | 122 Ų | 122 | 70 Ų | 70 | 46% | 0.462 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -142 | -16.7 | -178.7 | 54 | -97.6 | 0 | 0 | 0 | 114.5 | F107 F108 K109 F230 | F107-W111 HydrophobicContact CD1-CZ2 4.43Å; F107-W111 AromaticContact CD1-NE1 3.7Å; F107-W111 HydrophobicContact CE1-CZ2 4.03Å; F107-W111 AromaticContact CE1-NE1 3.41Å; F107-W111 AromaticContact CZ-NE1 3.71Å; F107-W111 PolarHBondContact O-NE1 3.25Å; F108-W111 AromaticContact CD2-CH2 3.8Å; F108-W111 HydrophobicContact CD2-CH2 3.8Å; F108-W111 AromaticContact CD2-CZ2 3.77Å; F108-W111 HydrophobicContact CD2-CZ2 3.77Å; F108-W111 AromaticContact CE2-CH2 3.7Å; F108-W111 HydrophobicContact CE2-CH2 3.7Å; F108-W111 HydrophobicContact CE2-CZ2 4.16Å; F108-W111 HydrophobicContact CE2-CZ3 4.36Å; F108-W111 PolarHBondContact O-N 2.84Å; K109-W111 VanDerWaalsContact C-N 3.26Å; K109-W111 PolarHBondContact O-N 2.91Å; W111-F230 HydrophobicContact CH2-CE2 4.38Å; W111-F230 AromaticContact CZ2-CE2 3.88Å; W111-F230 HydrophobicContact CZ2-CE2 3.88Å; W111-F230 HydrophobicContact CZ2-CZ 4.29Å |
| 112 | H | 74.3 | Confident | 78 | Confident | 35 Ų | 35 | 68.6 Ų | 68.6 | 16% | 0.162 | 35% | 0.354 | C | S | . | . | trans | -89.3 | 140.8 | -177.6 | -173.7 | -87.2 | 0 | 0 | 0 | 112 | F108 C116 C118 | F108-H112 HydrophobicContact CD1-CB 3.74Å; F108-H112 AromaticContact CD1-CG 3.66Å; F108-H112 AromaticContact CD1-ND1 3.75Å; F108-H112 HydrophobicContact CD2-CB 4.2Å; F108-H112 HydrophobicContact CE1-CB 3.79Å; F108-H112 AromaticContact CE1-CD2 3.46Å; F108-H112 VanDerWaalsContact CE1-CD2 3.46Å; F108-H112 WeakPolarHBondContact CE1-CD2 3.33Å; F108-H112 AromaticContact CE1-CE1 3.39Å; F108-H112 WeakPolarHBondContact CE1-CE1 3.25Å; F108-H112 AromaticContact CE1-CG 3.17Å; F108-H112 AromaticContact CE1-ND1 3.14Å; F108-H112 WeakPolarHBondContact CE1-ND1 3.45Å; F108-H112 AromaticContact CE1-NE2 3.59Å; F108-H112 HydrophobicContact CE2-CB 4.21Å; F108-H112 AromaticContact CE2-CD2 3.72Å; F108-H112 AromaticContact CE2-CG 3.96Å; F108-H112 HydrophobicContact CG-CB 3.97Å; F108-H112 HydrophobicContact CZ-CB 4.03Å; F108-H112 AromaticContact CZ-CD2 3.1Å; F108-H112 WeakPolarHBondContact CZ-CD2 3.28Å; F108-H112 AromaticContact CZ-CE1 3.68Å; F108-H112 AromaticContact CZ-CG 3.34Å; F108-H112 AromaticContact CZ-ND1 3.69Å; F108-H112 AromaticContact CZ-NE2 3.35Å; F108-H112 VanDerWaalsContact CZ-NE2 3.35Å; F108-H112 WeakPolarHBondContact CZ-NE2 3.42Å; F108-H112 WeakPolarHBondContact O-CB 3.4Å; F108-H112 PolarHBondContact O-N 3.1Å; H112-C116 PolarHBondContact CE1-O 3.11Å; H112-C118 WeakPolarHBondContact NE2-CB 3.17Å | ||
| 113 | D | 73 | Confident | 77.6 | Confident | 92 Ų | 92 | 67.5 Ų | 67.5 | 49% | 0.492 | 35% | 0.349 | S | S | . | . | trans | -81.7 | 130.1 | 177.3 | -165.7 | -25.3 | 0 | 0 | 0 | 110.7 | Q115 C116 | D113-Q115 PolarHBondContact O-N 3.32Å; D113-Q115 VanDerWaalsContact O-N 3.09Å; D113-Q115 PolarHBondContact OD1-N 2.73Å; D113-Q115 VanDerWaalsContact OD1-N 3.13Å; D113-C116 PolarHBondContact O-N 3.43Å; D113-C116 VanDerWaalsContact O-N 3.15Å | ||
| 114 | E | 70.1 | Confident | 77.5 | Confident | 164 Ų | 164 | 70.6 Ų | 70.6 | 77% | 0.766 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -18.2 | 179.7 | -63.8 | -174.2 | 161.8 | 0 | 0 | 113.1 | C116 | E114-C116 VanDerWaalsContact C-N 3.31Å; E114-C116 PolarHBondContact O-N 3.35Å |
| 115 | Q | 68.5 | Low | 77.5 | Confident | 170 Ų | 170 | 70.7 Ų | 70.7 | 79% | 0.794 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -12 | 178.3 | -61.3 | -175.4 | 2.5 | 0 | 0 | 114.3 | D113 | D113-Q115 PolarHBondContact O-N 3.32Å; D113-Q115 VanDerWaalsContact O-N 3.09Å; D113-Q115 PolarHBondContact OD1-N 2.73Å; D113-Q115 VanDerWaalsContact OD1-N 3.13Å |
| 116 | C | 66.5 | Low | 77.7 | Confident | 66 Ų | 66 | 68.2 Ų | 68.2 | 45% | 0.446 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -95 | 116.7 | -178.9 | -68 | 0 | 0 | 0 | 0 | 111.1 | H112 D113 E114 C118 | H112-C116 PolarHBondContact CE1-O 3.11Å; D113-C116 PolarHBondContact O-N 3.43Å; D113-C116 VanDerWaalsContact O-N 3.15Å; E114-C116 VanDerWaalsContact C-N 3.31Å; E114-C116 PolarHBondContact O-N 3.35Å; C116-C118 VanDerWaalsContact C-N 3.26Å; C116-C118 PolarHBondContact O-N 2.87Å |
| 117 | D | 66.4 | Low | 77.8 | Confident | 161 Ų | 161 | 70.3 Ų | 70.3 | 86% | 0.861 | 36% | 0.356 | S | S | * | . | trans | -75.6 | 78.9 | 172.3 | -76.8 | -27.4 | 0 | 0 | 0 | 110.3 | ||||
| 118 | C | 70.3 | Confident | 77.9 | Confident | 42 Ų | 42 | 70.4 Ų | 70.4 | 28% | 0.284 | 36% | 0.358 | S | S | . | . | trans | -106.3 | 52.4 | -179.8 | -71.3 | 0 | 0 | 0 | 0 | 112 | F108 H112 C116 A120 V121 T122 | F108-C118 HydrophobicContact CZ-CB 4.03Å; H112-C118 WeakPolarHBondContact NE2-CB 3.17Å; C116-C118 VanDerWaalsContact C-N 3.26Å; C116-C118 PolarHBondContact O-N 2.87Å; C118-A120 PolarHBondContact O-N 2.96Å; C118-V121 HydrophobicContact CB-CB 4.09Å; C118-V121 HydrophobicContact CB-CG2 3.75Å; C118-V121 PolarHBondContact O-N 3.35Å; C118-T122 PolarHBondContact O-N 3.15Å; C118-T122 PolarHBondContact O-OG1 3.45Å | ||
| 119 | T | 75.8 | Confident | 78.2 | Confident | 84 Ų | 84 | 69.2 Ų | 69.2 | 52% | 0.515 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -57.3 | -39.5 | 173.6 | 53.3 | 0 | 0 | 0 | 0 | 111.7 | T122 N123 | T119-T122 WeakPolarHBondContact O-CB 3.29Å; T119-T122 PolarHBondContact O-N 3.44Å; T119-N123 PolarHBondContact O-N 3.08Å |
| 120 | A | 74.3 | Confident | 78.6 | Confident | 19 Ų | 19 | 65.4 Ų | 65.4 | 16% | 0.157 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61 | -44.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | C118 T122 N123 E124 D287 L289 | C118-A120 PolarHBondContact O-N 2.96Å; A120-T122 VanDerWaalsContact C-N 3.3Å; A120-T122 PolarHBondContact O-N 3.23Å; A120-N123 PolarHBondContact O-N 3.22Å; A120-E124 PolarHBondContact O-N 3.48Å; A120-D287 WeakPolarHBondContact CA-O 3.3Å; A120-D287 VanDerWaalsContact CB-O 3.3Å; A120-D287 WeakPolarHBondContact CB-O 3.49Å; A120-L289 HydrophobicContact CB-CD2 4.03Å; A120-L289 HydrophobicContact CB-CG 4.31Å |
| 121 | V | 80.4 | Confident | 79 | Confident | 34 Ų | 34 | 65.4 Ų | 65.4 | 21% | 0.206 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.4 | -45.2 | 176.7 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | F108 C118 N123 E124 I125 L289 | F108-V121 HydrophobicContact CE2-CB 4.24Å; F108-V121 HydrophobicContact CE2-CG1 3.84Å; F108-V121 HydrophobicContact CZ-CB 4.41Å; F108-V121 HydrophobicContact CZ-CG1 4.47Å; C118-V121 HydrophobicContact CB-CB 4.09Å; C118-V121 HydrophobicContact CB-CG2 3.75Å; C118-V121 PolarHBondContact O-N 3.35Å; V121-N123 PolarHBondContact O-N 2.89Å; V121-E124 PolarHBondContact O-N 3.48Å; V121-I125 HydrophobicContact CG1-CD1 4.03Å; V121-I125 WeakPolarHBondContact O-CG1 3.2Å; V121-I125 PolarHBondContact O-N 2.76Å; V121-L289 HydrophobicContact CB-CD2 4.18Å; V121-L289 HydrophobicContact CG2-CD1 4.32Å; V121-L289 HydrophobicContact CG2-CD2 3.33Å; V121-L289 HydrophobicContact CG2-CG 4.29Å |
| 122 | T | 82.6 | Confident | 79.2 | Confident | 19 Ų | 19 | 59.7 Ų | 59.7 | 12% | 0.117 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.5 | -45.1 | -179.8 | -51 | 0 | 0 | 0 | 0 | 110.7 | V104 C118 T119 A120 E124 I125 R126 | V104-T122 HydrophobicContact CG1-CG2 3.89Å; C118-T122 PolarHBondContact O-N 3.15Å; C118-T122 PolarHBondContact O-OG1 3.45Å; T119-T122 WeakPolarHBondContact O-CB 3.29Å; T119-T122 PolarHBondContact O-N 3.44Å; A120-T122 VanDerWaalsContact C-N 3.3Å; A120-T122 PolarHBondContact O-N 3.23Å; T122-E124 VanDerWaalsContact C-N 3.34Å; T122-E124 PolarHBondContact O-N 3.37Å; T122-I125 WeakPolarHBondContact O-CB 3.38Å; T122-I125 PolarHBondContact O-N 2.92Å; T122-R126 WeakPolarHBondContact O-CG 3.46Å; T122-R126 PolarHBondContact O-N 3.41Å |
| 123 | N | 81.8 | Confident | 79.7 | Confident | 4 Ų | 4 | 59.2 Ų | 59.2 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.7 | -39.5 | 178.1 | -161 | 22.7 | 0 | 0 | 0 | 112.3 | T119 A120 V121 R126 R127 D283 | T119-N123 PolarHBondContact O-N 3.08Å; A120-N123 PolarHBondContact O-N 3.22Å; V121-N123 PolarHBondContact O-N 2.89Å; N123-R126 WeakPolarHBondContact O-CB 3.41Å; N123-R126 PolarHBondContact O-N 2.95Å; N123-R126 VanDerWaalsContact O-N 3.13Å; N123-R127 WeakPolarHBondContact O-CG 3.44Å; N123-R127 PolarHBondContact O-N 3.31Å; N123-D283 PolarHBondContact ND2-O 3.49Å; N123-D283 PolarHBondContact OD1-N 3.03Å |
| 124 | E | 82.3 | Confident | 80.2 | Confident | 68 Ų | 68 | 55.3 Ų | 55.3 | 32% | 0.318 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.1 | -39.9 | 177.3 | -164.1 | 55.5 | -143.8 | 0 | 0 | 112.1 | A120 V121 T122 R126 R127 L128 L289 | A120-E124 PolarHBondContact O-N 3.48Å; V121-E124 PolarHBondContact O-N 3.48Å; T122-E124 VanDerWaalsContact C-N 3.34Å; T122-E124 PolarHBondContact O-N 3.37Å; E124-R126 VanDerWaalsContact C-N 3.29Å; E124-R126 PolarHBondContact O-N 3.48Å; E124-R127 PolarHBondContact O-N 2.89Å; E124-R127 IonicContact OE2-NH1 2.62Å; E124-R127 PolarHBondContact OE2-NH1 2.96Å; E124-L128 WeakPolarHBondContact O-CG 3.23Å; E124-L128 PolarHBondContact O-N 2.96Å; E124-L289 HydrophobicContact CB-CD1 4.32Å |
| 125 | I | 87.6 | Confident | 80.7 | Confident | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.7 | -42.7 | 170.6 | -67.6 | 168 | 0 | 0 | 0 | 110.6 | V104 F108 V121 T122 R127 L128 I129 F230 L234 | V104-I125 HydrophobicContact CG1-CG2 4.3Å; V104-I125 HydrophobicContact CG2-CG2 4.24Å; F108-I125 HydrophobicContact CD2-CD1 4Å; F108-I125 HydrophobicContact CE2-CD1 4.24Å; V121-I125 HydrophobicContact CG1-CD1 4.03Å; V121-I125 WeakPolarHBondContact O-CG1 3.2Å; V121-I125 PolarHBondContact O-N 2.76Å; T122-I125 WeakPolarHBondContact O-CB 3.38Å; T122-I125 PolarHBondContact O-N 2.92Å; I125-R127 PolarHBondContact O-N 3.09Å; I125-L128 PolarHBondContact O-N 3.05Å; I125-I129 HydrophobicContact CG2-CD1 3.79Å; I125-I129 HydrophobicContact CG2-CG1 4.48Å; I125-I129 VanDerWaalsContact O-CG1 3.3Å; I125-I129 WeakPolarHBondContact O-CG1 3.3Å; I125-I129 PolarHBondContact O-N 3.06Å; I125-F230 HydrophobicContact CD1-CZ 3.89Å; I125-F230 HydrophobicContact CG1-CE1 4.15Å; I125-F230 HydrophobicContact CG1-CZ 4.01Å; I125-L234 HydrophobicContact CG2-CD1 3.94Å; I125-L234 HydrophobicContact CG2-CD2 4Å |
| 126 | R | 89.1 | Confident | 81.3 | Confident | 45 Ų | 45 | 40.9 Ų | 40.9 | 17% | 0.17 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.7 | -40.7 | 177.2 | -66.9 | -166.6 | -167.3 | 103.9 | -6 | 112.1 | D101 V104 T122 N123 E124 I129 R130 F281 D283 | D101-R126 IonicContact OD1-NE 2.76Å; V104-R126 HydrophobicContact CG2-CG 4.48Å; T122-R126 WeakPolarHBondContact O-CG 3.46Å; T122-R126 PolarHBondContact O-N 3.41Å; N123-R126 WeakPolarHBondContact O-CB 3.41Å; N123-R126 PolarHBondContact O-N 2.95Å; N123-R126 VanDerWaalsContact O-N 3.13Å; E124-R126 VanDerWaalsContact C-N 3.29Å; E124-R126 PolarHBondContact O-N 3.48Å; R126-I129 PolarHBondContact O-N 2.88Å; R126-R130 WeakPolarHBondContact O-CB 3.36Å; R126-R130 PolarHBondContact O-N 3.46Å; R126-F281 HydrophobicContact CB-CD1 3.9Å; R126-F281 HydrophobicContact CB-CE1 3.53Å; R126-F281 HydrophobicContact CB-CZ 3.89Å; R126-F281 WeakPolarHBondContact CD-O 3.46Å; R126-F281 HydrophobicContact CG-CD1 4.37Å; R126-F281 HydrophobicContact CG-CE1 3.82Å; R126-F281 HydrophobicContact CG-CE2 3.97Å; R126-F281 HydrophobicContact CG-CZ 3.6Å; R126-F281 WeakPolarHBondContact O-CE1 3.43Å; R126-D283 IonicContact NH1-OD2 3.37Å; R126-D283 PolarHBondContact NH1-OD2 3.09Å |
| 127 | R | 85.2 | Confident | 82 | Confident | 93 Ų | 93 | 41.2 Ų | 41.2 | 35% | 0.351 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.8 | -44.6 | 174.8 | -70.6 | 173.8 | -178.1 | 172.3 | -2.6 | 112.2 | N123 E124 I125 I129 R130 R131 C282 | N123-R127 WeakPolarHBondContact O-CG 3.44Å; N123-R127 PolarHBondContact O-N 3.31Å; E124-R127 PolarHBondContact O-N 2.89Å; E124-R127 IonicContact OE2-NH1 2.62Å; E124-R127 PolarHBondContact OE2-NH1 2.96Å; I125-R127 PolarHBondContact O-N 3.09Å; R127-I129 VanDerWaalsContact C-N 3.32Å; R127-I129 PolarHBondContact O-N 3.42Å; R127-R130 PolarHBondContact O-N 3.2Å; R127-R131 PolarHBondContact O-N 3.46Å; R127-C282 HydrophobicContact CG-CB 4.5Å |
| 128 | L | 88 | Confident | 82.7 | Confident | 24 Ų | 24 | 36 Ų | 36 | 13% | 0.126 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.7 | -44.9 | 174.8 | -68.8 | 173.9 | 0 | 0 | 0 | 111.5 | E124 I125 R131 I132 F217 W223 L231 | E124-L128 WeakPolarHBondContact O-CG 3.23Å; E124-L128 PolarHBondContact O-N 2.96Å; I125-L128 PolarHBondContact O-N 3.05Å; L128-R131 PolarHBondContact O-N 3.3Å; L128-I132 WeakPolarHBondContact O-CD1 3Å; L128-I132 VanDerWaalsContact O-CG1 3.3Å; L128-I132 WeakPolarHBondContact O-CG1 3.19Å; L128-I132 PolarHBondContact O-N 3.22Å; L128-F217 HydrophobicContact CB-CZ 4.43Å; L128-F217 HydrophobicContact CD2-CE1 3.79Å; L128-F217 HydrophobicContact CD2-CZ 3.74Å; L128-W223 HydrophobicContact CD2-CH2 3.68Å; L128-W223 HydrophobicContact CD2-CZ3 4.29Å; L128-L231 HydrophobicContact CD1-CD1 4.43Å |
| 129 | I | 88.2 | Confident | 83 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.4 | -45.2 | 178.1 | -67.5 | 168.5 | 0 | 0 | 0 | 111.3 | L100 V104 I125 R126 R127 R131 I132 V133 L234 L239 F281 | L100-I129 HydrophobicContact CD1-CG2 4.04Å; L100-I129 HydrophobicContact CD2-CG2 3.9Å; L100-I129 HydrophobicContact CG-CG2 4.41Å; V104-I129 HydrophobicContact CG2-CD1 3.27Å; I125-I129 HydrophobicContact CG2-CD1 3.79Å; I125-I129 HydrophobicContact CG2-CG1 4.48Å; I125-I129 VanDerWaalsContact O-CG1 3.3Å; I125-I129 WeakPolarHBondContact O-CG1 3.3Å; I125-I129 PolarHBondContact O-N 3.06Å; R126-I129 PolarHBondContact O-N 2.88Å; R127-I129 VanDerWaalsContact C-N 3.32Å; R127-I129 PolarHBondContact O-N 3.42Å; I129-R131 VanDerWaalsContact C-N 3.27Å; I129-R131 PolarHBondContact O-N 3.18Å; I129-I132 PolarHBondContact O-N 3.37Å; I129-I132 VanDerWaalsContact O-N 3.14Å; I129-V133 HydrophobicContact CG2-CG2 4.2Å; I129-V133 VanDerWaalsContact O-CG2 3.3Å; I129-V133 WeakPolarHBondContact O-CG2 3.18Å; I129-V133 PolarHBondContact O-N 3.05Å; I129-L234 HydrophobicContact CD1-CD1 4.41Å; I129-L234 HydrophobicContact CG1-CD2 4.3Å; I129-L239 HydrophobicContact CD1-CD2 4.27Å; I129-L239 HydrophobicContact CG1-CD1 4.32Å; I129-F281 HydrophobicContact CB-CE1 4.08Å; I129-F281 HydrophobicContact CG2-CE1 3.98Å; I129-F281 HydrophobicContact CG2-CZ 4.3Å |
| 130 | R | 88.4 | Confident | 82.8 | Confident | 39 Ų | 39 | 32.6 Ų | 32.6 | 15% | 0.147 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -54.2 | -46.9 | 175.7 | 179 | 173 | -178.2 | -173.8 | -1.9 | 110.1 | R126 R127 I132 V133 V134 E276 L277 L278 D279 F281 C282 | R126-R130 WeakPolarHBondContact O-CB 3.36Å; R126-R130 PolarHBondContact O-N 3.46Å; R127-R130 PolarHBondContact O-N 3.2Å; R130-I132 PolarHBondContact O-N 2.6Å; R130-V133 PolarHBondContact O-N 2.66Å; R130-V134 HydrophobicContact CG-CG2 4.37Å; R130-V134 WeakPolarHBondContact O-CB 3.18Å; R130-V134 VanDerWaalsContact O-CG2 3.25Å; R130-V134 WeakPolarHBondContact O-CG2 2.88Å; R130-V134 PolarHBondContact O-N 3.32Å; R130-E276 IonicContact NH2-OE2 3.72Å; R130-L277 PolarHBondContact NE-O 3.1Å; R130-L278 WeakPolarHBondContact CD-O 3.24Å; R130-L278 HydrophobicContact CG-CB 4.08Å; R130-L278 PolarHBondContact NE-O 3.3Å; R130-D279 IonicContact CZ-OD1 3.62Å; R130-D279 IonicContact NH1-OD1 2.94Å; R130-D279 PolarHBondContact NH1-OD1 3.48Å; R130-D279 VanDerWaalsContact NH1-OD1 3.15Å; R130-D279 IonicContact NH2-OD1 2.75Å; R130-D279 PolarHBondContact NH2-OD1 2.83Å; R130-F281 HydrophobicContact CB-CD1 4.47Å; R130-C282 VanDerWaalsContact CD-SG 3.56Å |
| 131 | R | 85.5 | Confident | 83 | Confident | 88 Ų | 88 | 37.2 Ų | 37.2 | 33% | 0.332 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -59.4 | -47.7 | 176.8 | -175.2 | 67.3 | 178.2 | -179.1 | 4.8 | 112.3 | F80 R127 L128 I129 V133 V134 V135 F217 | F80-R131 PolarHBondContact O-NH2 2.89Å; R127-R131 PolarHBondContact O-N 3.46Å; L128-R131 PolarHBondContact O-N 3.3Å; I129-R131 VanDerWaalsContact C-N 3.27Å; I129-R131 PolarHBondContact O-N 3.18Å; R131-V133 VanDerWaalsContact C-N 3.31Å; R131-V133 PolarHBondContact O-N 3.49Å; R131-V134 PolarHBondContact O-N 3.45Å; R131-V135 WeakPolarHBondContact O-CG2 3.27Å; R131-V135 PolarHBondContact O-N 3.39Å; R131-F217 HydrophobicContact CB-CE1 4.1Å; R131-F217 HydrophobicContact CB-CZ 3.97Å; R131-F217 HydrophobicContact CG-CD1 4.45Å; R131-F217 HydrophobicContact CG-CE1 3.68Å; R131-F217 HydrophobicContact CG-CZ 3.88Å |
| 132 | I | 85.1 | Confident | 82.9 | Confident | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.015 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.6 | -46.8 | 177.3 | -68 | 158.1 | 0 | 0 | 0 | 110.6 | L128 I129 R130 V135 L136 C216 F217 L231 I235 | L128-I132 WeakPolarHBondContact O-CD1 3Å; L128-I132 VanDerWaalsContact O-CG1 3.3Å; L128-I132 WeakPolarHBondContact O-CG1 3.19Å; L128-I132 PolarHBondContact O-N 3.22Å; I129-I132 PolarHBondContact O-N 3.37Å; I129-I132 VanDerWaalsContact O-N 3.14Å; R130-I132 PolarHBondContact O-N 2.6Å; I132-V135 PolarHBondContact O-N 2.62Å; I132-L136 HydrophobicContact CG2-CD1 3.82Å; I132-L136 HydrophobicContact CG2-CG 4.35Å; I132-L136 WeakPolarHBondContact O-CB 2.99Å; I132-L136 VanDerWaalsContact O-CG 3.26Å; I132-L136 WeakPolarHBondContact O-CG 2.94Å; I132-L136 PolarHBondContact O-N 3.39Å; I132-C216 HydrophobicContact CG1-CB 4.24Å; I132-F217 HydrophobicContact CD1-CE2 4.15Å; I132-F217 HydrophobicContact CG1-CE2 3.67Å; I132-F217 HydrophobicContact CG1-CZ 4.14Å; I132-L231 HydrophobicContact CD1-CD1 4.12Å; I132-I235 HydrophobicContact CD1-CD1 3.85Å; I132-I235 HydrophobicContact CD1-CG1 3.7Å |
| 133 | V | 85.2 | Confident | 82.5 | Confident | 24 Ų | 24 | 38.8 Ų | 38.8 | 15% | 0.145 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.1 | -41.2 | -177.8 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | L96 L100 I129 R130 R131 L136 Y137 L277 L278 | L96-V133 HydrophobicContact CD2-CG1 3.86Å; L100-V133 HydrophobicContact CD1-CG2 4.04Å; I129-V133 HydrophobicContact CG2-CG2 4.2Å; I129-V133 VanDerWaalsContact O-CG2 3.3Å; I129-V133 WeakPolarHBondContact O-CG2 3.18Å; I129-V133 PolarHBondContact O-N 3.05Å; R130-V133 PolarHBondContact O-N 2.66Å; R131-V133 VanDerWaalsContact C-N 3.31Å; R131-V133 PolarHBondContact O-N 3.49Å; V133-L136 PolarHBondContact O-N 3.04Å; V133-Y137 WeakPolarHBondContact O-CB 2.95Å; V133-Y137 PolarHBondContact O-N 3.04Å; V133-L277 HydrophobicContact CG1-CD2 4.09Å; V133-L278 HydrophobicContact CB-CD1 3.93Å; V133-L278 HydrophobicContact CG1-CD1 3.75Å; V133-L278 HydrophobicContact CG2-CD1 4.17Å |
| 134 | V | 83.2 | Confident | 82.3 | Confident | 11 Ų | 11 | 43.3 Ų | 43.3 | 7% | 0.067 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.2 | -46.7 | 175.4 | 168.1 | 0 | 0 | 0 | 0 | 111 | V85 P86 R130 R131 L136 Y137 W138 L277 | V85-V134 HydrophobicContact CG1-CG2 4.34Å; P86-V134 HydrophobicContact CG-CG1 4.5Å; R130-V134 HydrophobicContact CG-CG2 4.37Å; R130-V134 WeakPolarHBondContact O-CB 3.18Å; R130-V134 VanDerWaalsContact O-CG2 3.25Å; R130-V134 WeakPolarHBondContact O-CG2 2.88Å; R130-V134 PolarHBondContact O-N 3.32Å; R131-V134 PolarHBondContact O-N 3.45Å; V134-L136 PolarHBondContact O-N 3.27Å; V134-Y137 WeakPolarHBondContact O-CB 3.43Å; V134-Y137 PolarHBondContact O-N 3.04Å; V134-W138 PolarHBondContact O-N 2.93Å; V134-W138 VanDerWaalsContact O-N 3.11Å; V134-L277 HydrophobicContact CG2-CD2 4.05Å; V134-L277 HydrophobicContact CG2-CG 4.45Å |
| 135 | V | 80.9 | Confident | 82 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.03 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.5 | -43.9 | 177.3 | 173.3 | 0 | 0 | 0 | 0 | 111 | F80 R131 I132 Y137 W138 R139 C216 | F80-V135 HydrophobicContact CD1-CG1 4.04Å; F80-V135 HydrophobicContact CD1-CG2 4.42Å; F80-V135 HydrophobicContact CE1-CG1 3.98Å; R131-V135 WeakPolarHBondContact O-CG2 3.27Å; R131-V135 PolarHBondContact O-N 3.39Å; I132-V135 PolarHBondContact O-N 2.62Å; V135-Y137 VanDerWaalsContact C-N 3.3Å; V135-Y137 PolarHBondContact O-N 2.8Å; V135-W138 PolarHBondContact O-N 2.93Å; V135-R139 HydrophobicContact CG1-CG 4.5Å; V135-R139 VanDerWaalsContact O-CG 3.31Å; V135-R139 WeakPolarHBondContact O-CG 3.44Å; V135-R139 PolarHBondContact O-N 2.69Å; V135-C216 HydrophobicContact CG2-CB 4.46Å |
| 136 | L | 80.8 | Confident | 81.5 | Confident | 25 Ų | 25 | 43.7 Ų | 43.7 | 13% | 0.131 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64 | -34.3 | 176.9 | -72.3 | 175.4 | 0 | 0 | 0 | 112.6 | M1 I132 V133 V134 R139 L140 L212 | M1-L136 HydrophobicContact SD-CD1 4.2Å; I132-L136 HydrophobicContact CG2-CD1 3.82Å; I132-L136 HydrophobicContact CG2-CG 4.35Å; I132-L136 WeakPolarHBondContact O-CB 2.99Å; I132-L136 VanDerWaalsContact O-CG 3.26Å; I132-L136 WeakPolarHBondContact O-CG 2.94Å; I132-L136 PolarHBondContact O-N 3.39Å; V133-L136 PolarHBondContact O-N 3.04Å; V134-L136 PolarHBondContact O-N 3.27Å; L136-R139 PolarHBondContact O-N 3.45Å; L136-L140 WeakPolarHBondContact O-CB 3.11Å; L136-L140 PolarHBondContact O-N 3.2Å; L136-L212 HydrophobicContact CD2-CD2 4.01Å |
| 137 | Y | 81.1 | Confident | 80.9 | Confident | 74 Ų | 74 | 43.7 Ų | 43.7 | 29% | 0.29 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.6 | -50.6 | 174.6 | -179.1 | -83.4 | 0 | 0 | 0 | 110.9 | P86 V88 V133 V134 V135 R139 L140 E141 L277 | P86-Y137 HydrophobicContact CB-CD1 3.5Å; P86-Y137 VanDerWaalsContact CB-CD1 3.5Å; P86-Y137 HydrophobicContact CB-CE1 3.38Å; P86-Y137 HydrophobicContact CB-CG 4.31Å; P86-Y137 HydrophobicContact CG-CD1 3.52Å; P86-Y137 HydrophobicContact CG-CE1 3.95Å; P86-Y137 HydrophobicContact CG-CG 3.95Å; V88-Y137 HydrophobicContact CG2-CD2 4.42Å; V88-Y137 HydrophobicContact CG2-CE2 3.77Å; V133-Y137 WeakPolarHBondContact O-CB 2.95Å; V133-Y137 PolarHBondContact O-N 3.04Å; V134-Y137 WeakPolarHBondContact O-CB 3.43Å; V134-Y137 PolarHBondContact O-N 3.04Å; V135-Y137 VanDerWaalsContact C-N 3.3Å; V135-Y137 PolarHBondContact O-N 2.8Å; Y137-R139 VanDerWaalsContact C-N 3.29Å; Y137-R139 PolarHBondContact O-N 2.91Å; Y137-L140 WeakPolarHBondContact O-CB 3.49Å; Y137-L140 PolarHBondContact O-N 3.22Å; Y137-L140 VanDerWaalsContact O-N 3.09Å; Y137-E141 WeakPolarHBondContact CE1-OE2 3.24Å; Y137-E141 PolarHBondContact O-N 3.2Å; Y137-L277 HydrophobicContact CD2-CD2 4.28Å; Y137-L277 HydrophobicContact CG-CD2 4.2Å |
| 138 | W | 80.3 | Confident | 80.5 | Confident | 51 Ų | 51 | 39.8 Ų | 39.8 | 19% | 0.193 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.7 | -38 | 178.5 | -70.7 | 127 | 0 | 0 | 0 | 112.5 | F80 D84 P86 V134 V135 L140 E141 A142 | F80-W138 HydrophobicContact CD1-CB 4.43Å; F80-W138 HydrophobicContact CE1-CB 3.65Å; F80-W138 HydrophobicContact CZ-CB 3.91Å; D84-W138 PolarHBondContact O-NE1 3.36Å; P86-W138 HydrophobicContact CB-CH2 3.92Å; P86-W138 HydrophobicContact CB-CZ2 3.71Å; P86-W138 HydrophobicContact CB-CZ3 4.48Å; P86-W138 HydrophobicContact CG-CZ2 4.17Å; V134-W138 PolarHBondContact O-N 2.93Å; V134-W138 VanDerWaalsContact O-N 3.11Å; V135-W138 PolarHBondContact O-N 2.93Å; W138-L140 VanDerWaalsContact C-N 3.35Å; W138-E141 VanDerWaalsContact CE3-OE2 3.23Å; W138-E141 WeakPolarHBondContact CZ3-OE2 3.38Å; W138-E141 PolarHBondContact O-N 3.1Å; W138-A142 WeakPolarHBondContact O-CB 3.44Å; W138-A142 PolarHBondContact O-N 2.69Å |
| 139 | R | 76.4 | Confident | 79.8 | Confident | 34 Ų | 34 | 39 Ų | 39 | 13% | 0.128 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.9 | -39.5 | 174.1 | -68.1 | -67.6 | 178.3 | 177.7 | 3.1 | 112.1 | F80 V135 L136 Y137 C143 | F80-R139 HydrophobicContact CE1-CG 4.07Å; F80-R139 HydrophobicContact CZ-CG 4.11Å; V135-R139 HydrophobicContact CG1-CG 4.5Å; V135-R139 VanDerWaalsContact O-CG 3.31Å; V135-R139 WeakPolarHBondContact O-CG 3.44Å; V135-R139 PolarHBondContact O-N 2.69Å; L136-R139 PolarHBondContact O-N 3.45Å; Y137-R139 VanDerWaalsContact C-N 3.29Å; Y137-R139 PolarHBondContact O-N 2.91Å; R139-C143 PolarHBondContact O-N 3.35Å; R139-C143 PolarHBondContact O-SG 3.48Å |
| 140 | L | 73.3 | Confident | 79.2 | Confident | 20 Ų | 20 | 39 Ų | 39 | 11% | 0.105 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.5 | -44.6 | 176.4 | 179.9 | 76.2 | 0 | 0 | 0 | 111.6 | L136 Y137 W138 A142 C143 L145 F890 | L136-L140 WeakPolarHBondContact O-CB 3.11Å; L136-L140 PolarHBondContact O-N 3.2Å; Y137-L140 WeakPolarHBondContact O-CB 3.49Å; Y137-L140 PolarHBondContact O-N 3.22Å; Y137-L140 VanDerWaalsContact O-N 3.09Å; W138-L140 VanDerWaalsContact C-N 3.35Å; L140-A142 VanDerWaalsContact C-N 3.29Å; L140-A142 PolarHBondContact O-N 2.62Å; L140-C143 WeakPolarHBondContact O-CB 3.38Å; L140-C143 PolarHBondContact O-N 3.24Å; L140-L145 HydrophobicContact CD1-CD2 3.55Å; L140-L145 HydrophobicContact CG-CD2 4.1Å; L140-F890 HydrophobicContact CB-CE1 4.44Å; L140-F890 HydrophobicContact CB-CZ 4.35Å; L140-F890 HydrophobicContact CD1-CE1 3.72Å; L140-F890 HydrophobicContact CD1-CZ 3.58Å |
| 141 | E | 77.6 | Confident | 78.7 | Confident | 117 Ų | 117 | 40.8 Ų | 40.8 | 55% | 0.547 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.3 | -36.1 | 179 | -171 | 179.1 | 175.6 | 0 | 0 | 111.9 | Y137 W138 C143 | Y137-E141 WeakPolarHBondContact CE1-OE2 3.24Å; Y137-E141 PolarHBondContact O-N 3.2Å; W138-E141 VanDerWaalsContact CE3-OE2 3.23Å; W138-E141 WeakPolarHBondContact CZ3-OE2 3.38Å; W138-E141 PolarHBondContact O-N 3.1Å; E141-C143 PolarHBondContact O-N 3.02Å |
| 142 | A | 78.8 | Confident | 78.3 | Confident | 64 Ų | 64 | 41.1 Ų | 41.1 | 53% | 0.529 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -68 | -19.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | W138 L140 | W138-A142 WeakPolarHBondContact O-CB 3.44Å; W138-A142 PolarHBondContact O-N 2.69Å; L140-A142 VanDerWaalsContact C-N 3.29Å; L140-A142 PolarHBondContact O-N 2.62Å |
| 143 | C | 74.5 | Confident | 78 | Confident | 22 Ų | 22 | 41.1 Ų | 41.1 | 15% | 0.149 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -84.4 | 137.1 | -179.8 | -71.5 | 0 | 0 | 0 | 0 | 111.7 | R139 L140 E141 L145 C889 F890 | R139-C143 PolarHBondContact O-N 3.35Å; R139-C143 PolarHBondContact O-SG 3.48Å; L140-C143 WeakPolarHBondContact O-CB 3.38Å; L140-C143 PolarHBondContact O-N 3.24Å; E141-C143 PolarHBondContact O-N 3.02Å; C143-L145 PolarHBondContact O-N 3.43Å; C143-C889 PolarHBondContact SG-O 3.18Å; C143-C889 VanDerWaalsContact SG-O 3.37Å; C143-F890 HydrophobicContact CB-CD1 4.49Å; C143-F890 HydrophobicContact CB-CE1 4.49Å; C143-F890 VanDerWaalsContact SG-CD1 3.54Å |
| 144 | N | 76.7 | Confident | 77.6 | Confident | 99 Ų | 99 | 40 Ų | 40 | 53% | 0.529 | 20% | 0.203 | S | C | . | . | trans | -71.5 | 97 | 168.1 | -172.9 | -26.6 | 0 | 0 | 0 | 109.6 | H146 V147 L148 | N144-H146 PolarHBondContact O-N 3.25Å; N144-H146 VanDerWaalsContact OD1-CB 3.31Å; N144-H146 WeakPolarHBondContact OD1-CB 3.42Å; N144-H146 PolarHBondContact OD1-N 2.87Å; N144-H146 VanDerWaalsContact OD1-N 3.07Å; N144-V147 HydrophobicContact CB-CB 4.11Å; N144-V147 HydrophobicContact CB-CG2 4.07Å; N144-V147 PolarHBondContact O-N 2.84Å; N144-V147 VanDerWaalsContact O-N 3.09Å; N144-V147 PolarHBondContact OD1-N 3.41Å; N144-L148 PolarHBondContact O-N 3.46Å | ||
| 145 | L | 75.8 | Confident | 77.5 | Confident | 49 Ų | 49 | 39.9 Ų | 39.9 | 26% | 0.257 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -56 | -34.9 | -179.8 | -64 | 177.9 | 0 | 0 | 0 | 112.5 | L140 C143 V149 L793 L797 | L140-L145 HydrophobicContact CD1-CD2 3.55Å; L140-L145 HydrophobicContact CG-CD2 4.1Å; C143-L145 PolarHBondContact O-N 3.43Å; L145-V149 WeakPolarHBondContact O-CB 3.37Å; L145-V149 WeakPolarHBondContact O-CG2 3.47Å; L145-V149 PolarHBondContact O-N 3.21Å; L145-L793 HydrophobicContact CB-CD2 4.46Å; L145-L797 HydrophobicContact CD1-CD1 3.76Å; L145-L797 HydrophobicContact CD1-CD2 4.48Å |
| 146 | H | 77.1 | Confident | 77.6 | Confident | 31 Ų | 31 | 40.1 Ų | 40.1 | 14% | 0.144 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.9 | -49.7 | 176.3 | 175.9 | -68.8 | 0 | 0 | 0 | 110.9 | N144 V149 F150 H786 L793 | N144-H146 PolarHBondContact O-N 3.25Å; N144-H146 VanDerWaalsContact OD1-CB 3.31Å; N144-H146 WeakPolarHBondContact OD1-CB 3.42Å; N144-H146 PolarHBondContact OD1-N 2.87Å; N144-H146 VanDerWaalsContact OD1-N 3.07Å; H146-V149 PolarHBondContact O-N 3.18Å; H146-F150 HydrophobicContact CB-CD2 4.42Å; H146-F150 AromaticContact CD2-CD2 3.46Å; H146-F150 VanDerWaalsContact CD2-CD2 3.46Å; H146-F150 WeakPolarHBondContact CD2-CD2 3.43Å; H146-F150 AromaticContact CD2-CE2 3.73Å; H146-F150 AromaticContact CE1-CD2 3.73Å; H146-F150 AromaticContact CG-CD2 3.75Å; H146-F150 AromaticContact ND1-CD2 3.95Å; H146-F150 AromaticContact NE2-CD2 3.46Å; H146-F150 WeakPolarHBondContact NE2-CD2 3.39Å; H146-F150 WeakPolarHBondContact O-CB 3.25Å; H146-F150 VanDerWaalsContact O-CD2 3.26Å; H146-F150 WeakPolarHBondContact O-CD2 3.5Å; H146-F150 PolarHBondContact O-N 2.9Å; H146-H786 AromaticContact CE1-CD2 3.06Å; H146-H786 PolarHBondContact CE1-CD2 3.44Å; H146-H786 AromaticContact CE1-CG 3.91Å; H146-H786 AromaticContact CE1-NE2 3.6Å; H146-H786 AromaticContact NE2-CD2 3.44Å; H146-H786 PolarHBondContact NE2-CD2 2.79Å; H146-H786 AromaticContact NE2-CG 3.88Å; H146-L793 HydrophobicContact CB-CD2 4.43Å |
| 147 | V | 77.5 | Confident | 77.6 | Confident | 45 Ų | 45 | 39 Ų | 39 | 27% | 0.273 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.1 | -44.2 | 179.1 | 172.7 | 0 | 0 | 0 | 0 | 111 | N144 V149 D151 R152 | N144-V147 HydrophobicContact CB-CB 4.11Å; N144-V147 HydrophobicContact CB-CG2 4.07Å; N144-V147 PolarHBondContact O-N 2.84Å; N144-V147 VanDerWaalsContact O-N 3.09Å; N144-V147 PolarHBondContact OD1-N 3.41Å; V147-V149 PolarHBondContact O-N 3.04Å; V147-D151 HydrophobicContact CG1-CB 4.21Å; V147-D151 WeakPolarHBondContact O-CA 3.46Å; V147-D151 VanDerWaalsContact O-CB 3.25Å; V147-D151 WeakPolarHBondContact O-CB 2.86Å; V147-D151 PolarHBondContact O-N 3.32Å; V147-R152 PolarHBondContact O-N 3.35Å |
| 148 | L | 77 | Confident | 77.7 | Confident | 10 Ų | 10 | 35.5 Ų | 35.5 | 5% | 0.052 | 18% | 0.183 | C | C | . | . | I | π-helix | trans | -57.5 | -51.1 | 177.1 | 170.1 | 60.2 | 0 | 0 | 0 | 111 | N144 R152 L153 T886 C889 F890 | N144-L148 PolarHBondContact O-N 3.46Å; L148-R152 WeakPolarHBondContact O-CB 3.46Å; L148-R152 PolarHBondContact O-N 3.15Å; L148-L153 HydrophobicContact CD1-CD1 4.07Å; L148-L153 HydrophobicContact CD1-CD2 4.31Å; L148-L153 HydrophobicContact CD1-CG 3.99Å; L148-L153 HydrophobicContact CG-CD1 3.96Å; L148-L153 HydrophobicContact CG-CG 4.31Å; L148-L153 WeakPolarHBondContact O-CG 3.37Å; L148-L153 PolarHBondContact O-N 3.35Å; L148-T886 HydrophobicContact CD2-CG2 4.44Å; L148-C889 HydrophobicContact CD1-CB 3.9Å; L148-F890 HydrophobicContact CD2-CE1 4.28Å |
| 149 | V | 73.3 | Confident | 77.9 | Confident | 7 Ų | 7 | 34 Ų | 34 | 4% | 0.042 | 18% | 0.18 | C | C | . | . | I | π-helix | trans | -67.4 | -58.7 | -177.4 | 174.4 | 0 | 0 | 0 | 0 | 110.6 | A8 L11 L145 H146 V147 L153 C154 | A8-V149 HydrophobicContact CB-CG2 4Å; L11-V149 HydrophobicContact CB-CG1 3.78Å; L11-V149 HydrophobicContact CD1-CG1 3.97Å; L11-V149 HydrophobicContact CD1-CG2 3.98Å; L11-V149 HydrophobicContact CD2-CG1 4.05Å; L11-V149 HydrophobicContact CG-CG1 4.15Å; L145-V149 WeakPolarHBondContact O-CB 3.37Å; L145-V149 WeakPolarHBondContact O-CG2 3.47Å; L145-V149 PolarHBondContact O-N 3.21Å; H146-V149 PolarHBondContact O-N 3.18Å; V147-V149 PolarHBondContact O-N 3.04Å; V149-L153 PolarHBondContact O-N 3.25Å; V149-C154 VanDerWaalsContact O-CB 3.31Å; V149-C154 WeakPolarHBondContact O-CB 3.33Å; V149-C154 PolarHBondContact O-N 3.3Å; V149-C154 PolarHBondContact O-SG 3.23Å |
| 150 | F | 75.3 | Confident | 78.3 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | I | π-helix | trans | -83.3 | -31.3 | -166.9 | -63.3 | -65.6 | 0 | 0 | 0 | 114.3 | L11 F15 H146 P155 C789 L793 | L11-F150 HydrophobicContact CD2-CZ 3.99Å; F15-F150 AromaticContact CD2-CD1 3.71Å; F15-F150 HydrophobicContact CD2-CD1 3.71Å; F15-F150 AromaticContact CD2-CE1 3.96Å; F15-F150 HydrophobicContact CD2-CE1 3.96Å; F15-F150 AromaticContact CE2-CD1 3.91Å; F15-F150 HydrophobicContact CE2-CD1 3.91Å; H146-F150 HydrophobicContact CB-CD2 4.42Å; H146-F150 AromaticContact CD2-CD2 3.46Å; H146-F150 VanDerWaalsContact CD2-CD2 3.46Å; H146-F150 WeakPolarHBondContact CD2-CD2 3.43Å; H146-F150 AromaticContact CD2-CE2 3.73Å; H146-F150 AromaticContact CE1-CD2 3.73Å; H146-F150 AromaticContact CG-CD2 3.75Å; H146-F150 AromaticContact ND1-CD2 3.95Å; H146-F150 AromaticContact NE2-CD2 3.46Å; H146-F150 WeakPolarHBondContact NE2-CD2 3.39Å; H146-F150 WeakPolarHBondContact O-CB 3.25Å; H146-F150 VanDerWaalsContact O-CD2 3.26Å; H146-F150 WeakPolarHBondContact O-CD2 3.5Å; H146-F150 PolarHBondContact O-N 2.9Å; F150-P155 WeakPolarHBondContact O-CD 3.43Å; F150-C789 HydrophobicContact CD1-CB 4.16Å; F150-C789 HydrophobicContact CD2-CB 4.16Å; F150-C789 HydrophobicContact CE1-CB 3.62Å; F150-C789 WeakPolarHBondContact CE1-SG 3.45Å; F150-C789 HydrophobicContact CE2-CB 3.61Å; F150-C789 HydrophobicContact CG-CB 4.42Å; F150-C789 HydrophobicContact CZ-CB 3.32Å; F150-L793 HydrophobicContact CE2-CB 4.41Å; F150-L793 HydrophobicContact CE2-CD2 4.09Å; F150-L793 HydrophobicContact CZ-CB 4.49Å |
| 151 | D | 76.5 | Confident | 78.9 | Confident | 77 Ų | 77 | 32 Ų | 32 | 41% | 0.412 | 17% | 0.172 | S | C | . | . | I | π-helix | trans | -97.3 | -12.7 | -176.5 | -56 | -25.1 | 0 | 0 | 0 | 112.9 | V147 P155 | V147-D151 HydrophobicContact CG1-CB 4.21Å; V147-D151 WeakPolarHBondContact O-CA 3.46Å; V147-D151 VanDerWaalsContact O-CB 3.25Å; V147-D151 WeakPolarHBondContact O-CB 2.86Å; V147-D151 PolarHBondContact O-N 3.32Å; D151-P155 WeakPolarHBondContact O-CG 3.42Å |
| 152 | R | 77.5 | Confident | 79.3 | Confident | 95 Ų | 95 | 26.5 Ų | 26.5 | 36% | 0.358 | 15% | 0.146 | S | C | . | . | I | π-helix | trans | -123.8 | -62.4 | 178 | -55.2 | -164.2 | -178 | -159 | 0.4 | 113.8 | V147 L148 P155 I156 S888 C889 | V147-R152 PolarHBondContact O-N 3.35Å; L148-R152 WeakPolarHBondContact O-CB 3.46Å; L148-R152 PolarHBondContact O-N 3.15Å; R152-P155 WeakPolarHBondContact O-CD 3.26Å; R152-I156 WeakPolarHBondContact O-CG1 3.41Å; R152-I156 PolarHBondContact O-N 3.07Å; R152-S888 PolarHBondContact NH1-OG 3.15Å; R152-C889 WeakPolarHBondContact CD-SG 3.5Å; R152-C889 VanDerWaalsContact CZ-SG 3.51Å; R152-C889 PolarHBondContact NE-SG 3.45Å; R152-C889 VanDerWaalsContact NE-SG 3.41Å |
| 153 | L | 80 | Confident | 79.6 | Confident | 3 Ų | 3 | 27.9 Ų | 27.9 | 2% | 0.016 | 14% | 0.137 | C | C | . | . | I | π-helix | trans | -68.4 | -44.1 | -172.4 | -60.2 | 178.4 | 0 | 0 | 0 | 112.2 | A8 L148 V149 I156 L157 L882 | A8-L153 HydrophobicContact CB-CD1 3.51Å; L148-L153 HydrophobicContact CD1-CD1 4.07Å; L148-L153 HydrophobicContact CD1-CD2 4.31Å; L148-L153 HydrophobicContact CD1-CG 3.99Å; L148-L153 HydrophobicContact CG-CD1 3.96Å; L148-L153 HydrophobicContact CG-CG 4.31Å; L148-L153 WeakPolarHBondContact O-CG 3.37Å; L148-L153 PolarHBondContact O-N 3.35Å; V149-L153 PolarHBondContact O-N 3.25Å; L153-I156 PolarHBondContact O-N 3.29Å; L153-L157 PolarHBondContact O-N 3.4Å; L153-L882 HydrophobicContact CB-CD2 3.96Å; L153-L882 HydrophobicContact CD2-CB 4.14Å; L153-L882 HydrophobicContact CD2-CD2 3.68Å; L153-L882 HydrophobicContact CG-CD2 4.39Å |
| 154 | C | 75.8 | Confident | 80.2 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.4 | -51.3 | 179.5 | -73 | 0 | 0 | 0 | 0 | 112.1 | L12 F15 V149 I156 L157 V158 | L12-C154 HydrophobicContact CD1-CB 3.26Å; L12-C154 VanDerWaalsContact CD1-O 3.3Å; L12-C154 WeakPolarHBondContact CD1-O 3.29Å; L12-C154 VanDerWaalsContact CD1-SG 3.55Å; F15-C154 HydrophobicContact CD2-CB 4.14Å; F15-C154 HydrophobicContact CE2-CB 4.01Å; F15-C154 HydrophobicContact CZ-CB 4.4Å; V149-C154 VanDerWaalsContact O-CB 3.31Å; V149-C154 WeakPolarHBondContact O-CB 3.33Å; V149-C154 PolarHBondContact O-N 3.3Å; V149-C154 PolarHBondContact O-SG 3.23Å; C154-I156 VanDerWaalsContact C-N 3.28Å; C154-I156 PolarHBondContact O-N 3Å; C154-L157 PolarHBondContact O-N 3.49Å; C154-V158 WeakPolarHBondContact O-CG2 3.41Å; C154-V158 PolarHBondContact O-N 2.79Å |
| 155 | P | 81.8 | Confident | 80.8 | Confident | 8 Ų | 8 | 23 Ų | 23 | 5% | 0.052 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -48.3 | -46.1 | 174.3 | -26.3 | 24 | 0 | 0 | 0 | 114.7 | F150 D151 R152 L157 V158 V159 V743 L751 | F150-P155 WeakPolarHBondContact O-CD 3.43Å; D151-P155 WeakPolarHBondContact O-CG 3.42Å; R152-P155 WeakPolarHBondContact O-CD 3.26Å; P155-L157 PolarHBondContact O-N 2.8Å; P155-V158 PolarHBondContact O-N 3.33Å; P155-V159 WeakPolarHBondContact O-CB 3.03Å; P155-V159 VanDerWaalsContact O-CG2 3.29Å; P155-V159 WeakPolarHBondContact O-CG2 3.41Å; P155-V159 PolarHBondContact O-N 3.18Å; P155-V743 HydrophobicContact CB-CB 3.53Å; P155-V743 HydrophobicContact CB-CG1 3.37Å; P155-V743 HydrophobicContact CB-CG2 3.53Å; P155-L751 HydrophobicContact CB-CD1 4.3Å; P155-L751 HydrophobicContact CB-CD2 4.01Å; P155-L751 HydrophobicContact CG-CD1 3.84Å; P155-L751 HydrophobicContact CG-CD2 4.45Å |
| 156 | I | 82.5 | Confident | 81.3 | Confident | 11 Ų | 11 | 23.2 Ų | 23.2 | 6% | 0.056 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.6 | -46.3 | -178.5 | -71 | 167.5 | 0 | 0 | 0 | 110.9 | R152 L153 C154 V159 H160 V743 L878 L881 L882 S885 | R152-I156 WeakPolarHBondContact O-CG1 3.41Å; R152-I156 PolarHBondContact O-N 3.07Å; L153-I156 PolarHBondContact O-N 3.29Å; C154-I156 VanDerWaalsContact C-N 3.28Å; C154-I156 PolarHBondContact O-N 3Å; I156-V159 PolarHBondContact O-N 2.75Å; I156-H160 WeakPolarHBondContact O-CB 3.48Å; I156-H160 PolarHBondContact O-N 2.96Å; I156-V743 HydrophobicContact CG1-CG2 4.15Å; I156-L878 HydrophobicContact CG2-CD1 4.28Å; I156-L881 HydrophobicContact CG2-CB 3.78Å; I156-L881 HydrophobicContact CG2-CD1 4.11Å; I156-L882 HydrophobicContact CB-CD2 4.39Å; I156-L882 HydrophobicContact CG2-CD2 4.18Å; I156-S885 WeakPolarHBondContact CD1-OG 3.48Å |
| 157 | L | 81.7 | Confident | 81.8 | Confident | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -72.1 | -36.1 | -177 | 179.7 | 57.5 | 0 | 0 | 0 | 112.3 | V9 L12 L153 C154 P155 V159 H160 F161 L878 | V9-L157 HydrophobicContact CB-CD2 4.4Å; V9-L157 HydrophobicContact CG1-CD2 3.73Å; V9-L157 WeakPolarHBondContact O-CD2 3.38Å; L12-L157 HydrophobicContact CB-CB 4.31Å; L12-L157 HydrophobicContact CB-CD2 3.31Å; L12-L157 HydrophobicContact CB-CG 4.04Å; L12-L157 HydrophobicContact CD2-CB 3.53Å; L12-L157 HydrophobicContact CD2-CD2 3.5Å; L12-L157 VanDerWaalsContact CD2-CD2 3.5Å; L12-L157 HydrophobicContact CD2-CG 3.19Å; L12-L157 HydrophobicContact CG-CB 4.29Å; L12-L157 HydrophobicContact CG-CD2 3.94Å; L12-L157 HydrophobicContact CG-CG 4.13Å; L153-L157 PolarHBondContact O-N 3.4Å; C154-L157 PolarHBondContact O-N 3.49Å; P155-L157 PolarHBondContact O-N 2.8Å; L157-V159 VanDerWaalsContact C-N 3.34Å; L157-V159 PolarHBondContact O-N 2.77Å; L157-H160 HydrophobicContact CD1-CB 4.48Å; L157-H160 WeakPolarHBondContact O-CB 3.48Å; L157-H160 PolarHBondContact O-N 3.24Å; L157-F161 HydrophobicContact CD1-CD2 3.85Å; L157-F161 HydrophobicContact CD1-CE1 4.35Å; L157-F161 HydrophobicContact CD1-CE2 3.45Å; L157-F161 VanDerWaalsContact CD1-CE2 3.45Å; L157-F161 HydrophobicContact CD1-CG 4.47Å; L157-F161 HydrophobicContact CD1-CZ 3.72Å; L157-F161 HydrophobicContact CD2-CE2 3.98Å; L157-F161 HydrophobicContact CG-CD2 3.86Å; L157-F161 HydrophobicContact CG-CE2 3.5Å; L157-F161 VanDerWaalsContact CG-CE2 3.5Å; L157-F161 HydrophobicContact CG-CZ 4.22Å; L157-F161 VanDerWaalsContact O-CD2 3.26Å; L157-F161 WeakPolarHBondContact O-CD2 3.31Å; L157-F161 PolarHBondContact O-N 3.14Å; L157-L878 HydrophobicContact CB-CD1 4.22Å; L157-L878 HydrophobicContact CD1-CD1 3.64Å; L157-L878 HydrophobicContact CD1-CD2 3.32Å; L157-L878 HydrophobicContact CD1-CG 4.08Å; L157-L878 HydrophobicContact CG-CD1 4.49Å |
| 158 | V | 82.5 | Confident | 82.2 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.3 | -43.5 | 172.6 | 168.2 | 0 | 0 | 0 | 0 | 111.1 | L12 F15 C154 P155 H160 F161 G162 L751 Y754 L755 | L12-V158 HydrophobicContact CD1-CG2 3.57Å; L12-V158 HydrophobicContact CD2-CB 4.48Å; L12-V158 HydrophobicContact CD2-CG2 3.63Å; L12-V158 HydrophobicContact CG-CG2 4.13Å; F15-V158 HydrophobicContact CD1-CG2 4.36Å; F15-V158 HydrophobicContact CE1-CG2 4.12Å; C154-V158 WeakPolarHBondContact O-CG2 3.41Å; C154-V158 PolarHBondContact O-N 2.79Å; P155-V158 PolarHBondContact O-N 3.33Å; V158-H160 VanDerWaalsContact C-N 3.33Å; V158-F161 PolarHBondContact O-N 3.46Å; V158-G162 PolarHBondContact O-N 2.96Å; V158-L751 HydrophobicContact CB-CD2 4.07Å; V158-L751 HydrophobicContact CG1-CB 4.49Å; V158-L751 HydrophobicContact CG1-CD2 4.06Å; V158-L751 HydrophobicContact CG2-CD2 4.44Å; V158-Y754 HydrophobicContact CG1-CD1 3.58Å; V158-Y754 HydrophobicContact CG1-CE1 4.19Å; V158-L755 HydrophobicContact CG1-CB 4.12Å; V158-L755 HydrophobicContact CG1-CD1 4.45Å |
| 159 | V | 85.1 | Confident | 82.6 | Confident | 19 Ų | 19 | 27.6 Ų | 27.6 | 12% | 0.115 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.6 | -42.1 | 175.9 | 170.5 | 0 | 0 | 0 | 0 | 110.5 | P155 I156 L157 G162 R163 V743 F745 | P155-V159 WeakPolarHBondContact O-CB 3.03Å; P155-V159 VanDerWaalsContact O-CG2 3.29Å; P155-V159 WeakPolarHBondContact O-CG2 3.41Å; P155-V159 PolarHBondContact O-N 3.18Å; I156-V159 PolarHBondContact O-N 2.75Å; L157-V159 VanDerWaalsContact C-N 3.34Å; L157-V159 PolarHBondContact O-N 2.77Å; V159-G162 PolarHBondContact O-N 2.89Å; V159-R163 HydrophobicContact CG1-CG 4.34Å; V159-R163 WeakPolarHBondContact O-CB 3.28Å; V159-R163 VanDerWaalsContact O-CG 3.3Å; V159-R163 WeakPolarHBondContact O-CG 3.46Å; V159-R163 PolarHBondContact O-N 3.08Å; V159-V743 HydrophobicContact CG2-CG1 3.68Å; V159-V743 HydrophobicContact CG2-CG2 4.34Å; V159-F745 HydrophobicContact CG2-CE2 3.93Å |
| 160 | H | 84.5 | Confident | 83.1 | Confident | 12 Ų | 12 | 35.1 Ų | 35.1 | 6% | 0.056 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.1 | -51.9 | 176.1 | -177.5 | 86.7 | 0 | 0 | 0 | 111.6 | I156 L157 V158 G162 R163 F164 L874 L878 | I156-H160 WeakPolarHBondContact O-CB 3.48Å; I156-H160 PolarHBondContact O-N 2.96Å; L157-H160 HydrophobicContact CD1-CB 4.48Å; L157-H160 WeakPolarHBondContact O-CB 3.48Å; L157-H160 PolarHBondContact O-N 3.24Å; V158-H160 VanDerWaalsContact C-N 3.33Å; H160-G162 PolarHBondContact O-N 3.09Å; H160-R163 PolarHBondContact O-N 3.22Å; H160-F164 PolarHBondContact O-N 2.7Å; H160-L874 PolarHBondContact CE1-O 3.08Å; H160-L878 HydrophobicContact CB-CD1 4.21Å |
| 161 | F | 86.3 | Confident | 83.5 | Confident | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.009 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.5 | -42.4 | 176.2 | -73.5 | -49.2 | 0 | 0 | 0 | 112.9 | L12 N13 L157 V158 R163 F164 A165 L755 V759 L865 C868 L869 | L12-F161 HydrophobicContact CD2-CD2 3.9Å; L12-F161 HydrophobicContact CD2-CE2 3.88Å; N13-F161 WeakPolarHBondContact OD1-CE2 3.31Å; N13-F161 WeakPolarHBondContact OD1-CZ 3.26Å; L157-F161 HydrophobicContact CD1-CD2 3.85Å; L157-F161 HydrophobicContact CD1-CE1 4.35Å; L157-F161 HydrophobicContact CD1-CE2 3.45Å; L157-F161 VanDerWaalsContact CD1-CE2 3.45Å; L157-F161 HydrophobicContact CD1-CG 4.47Å; L157-F161 HydrophobicContact CD1-CZ 3.72Å; L157-F161 HydrophobicContact CD2-CE2 3.98Å; L157-F161 HydrophobicContact CG-CD2 3.86Å; L157-F161 HydrophobicContact CG-CE2 3.5Å; L157-F161 VanDerWaalsContact CG-CE2 3.5Å; L157-F161 HydrophobicContact CG-CZ 4.22Å; L157-F161 VanDerWaalsContact O-CD2 3.26Å; L157-F161 WeakPolarHBondContact O-CD2 3.31Å; L157-F161 PolarHBondContact O-N 3.14Å; V158-F161 PolarHBondContact O-N 3.46Å; F161-R163 VanDerWaalsContact C-N 3.33Å; F161-R163 PolarHBondContact O-N 2.87Å; F161-F164 PolarHBondContact O-N 2.71Å; F161-A165 WeakPolarHBondContact O-CB 3.33Å; F161-A165 PolarHBondContact O-N 3.05Å; F161-L755 HydrophobicContact CB-CD1 4.47Å; F161-V759 HydrophobicContact CB-CG2 4.22Å; F161-L865 HydrophobicContact CB-CD2 3.82Å; F161-L865 HydrophobicContact CD1-CD2 3.67Å; F161-L865 HydrophobicContact CD2-CD2 3.72Å; F161-L865 HydrophobicContact CE1-CD2 4.09Å; F161-L865 HydrophobicContact CE2-CD2 4.1Å; F161-L865 HydrophobicContact CG-CD2 3.48Å; F161-L865 VanDerWaalsContact CG-CD2 3.48Å; F161-L865 HydrophobicContact CZ-CD2 4.28Å; F161-C868 HydrophobicContact CD1-CB 3.73Å; F161-C868 VanDerWaalsContact CD1-SG 3.59Å; F161-C868 HydrophobicContact CE1-CB 3.79Å; F161-L869 HydrophobicContact CE1-CD2 4.15Å; F161-L869 HydrophobicContact CE1-CG 4.18Å; F161-L869 HydrophobicContact CZ-CD2 4Å; F161-L869 HydrophobicContact CZ-CG 4.27Å |
| 162 | G | 85.3 | Confident | 83.5 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.8 | -37 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | V158 V159 H160 S166 | V158-G162 PolarHBondContact O-N 2.96Å; V159-G162 PolarHBondContact O-N 2.89Å; H160-G162 PolarHBondContact O-N 3.09Å; G162-S166 WeakPolarHBondContact O-CB 3.43Å; G162-S166 PolarHBondContact O-N 3.07Å; G162-S166 VanDerWaalsContact O-N 3.08Å |
| 163 | R | 86 | Confident | 83.5 | Confident | 93 Ų | 93 | 34.4 Ų | 34.4 | 35% | 0.351 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -65 | -49.5 | 173.8 | -75.6 | 178.7 | -175.5 | -171 | 5.2 | 110.6 | V159 H160 F161 A165 S166 L167 | V159-R163 HydrophobicContact CG1-CG 4.34Å; V159-R163 WeakPolarHBondContact O-CB 3.28Å; V159-R163 VanDerWaalsContact O-CG 3.3Å; V159-R163 WeakPolarHBondContact O-CG 3.46Å; V159-R163 PolarHBondContact O-N 3.08Å; H160-R163 PolarHBondContact O-N 3.22Å; F161-R163 VanDerWaalsContact C-N 3.33Å; F161-R163 PolarHBondContact O-N 2.87Å; R163-A165 PolarHBondContact O-N 3.44Å; R163-S166 PolarHBondContact O-N 2.94Å; R163-S166 VanDerWaalsContact O-N 3.15Å; R163-S166 PolarHBondContact O-OG 3.03Å; R163-L167 WeakPolarHBondContact O-CG 3.26Å; R163-L167 PolarHBondContact O-N 3.08Å; R163-L167 VanDerWaalsContact O-N 3.11Å |
| 164 | F | 87 | Confident | 83.3 | Confident | 7 Ų | 7 | 43.6 Ų | 43.6 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -55.1 | -51.4 | 175.8 | -179.8 | -93 | 0 | 0 | 0 | 111.6 | H160 F161 S166 L167 R168 I183 T864 D867 C868 L874 | H160-F164 PolarHBondContact O-N 2.7Å; F161-F164 PolarHBondContact O-N 2.71Å; F164-S166 PolarHBondContact O-N 2.75Å; F164-L167 PolarHBondContact O-N 2.82Å; F164-L167 VanDerWaalsContact O-N 3.1Å; F164-R168 HydrophobicContact CE1-CB 4.34Å; F164-R168 HydrophobicContact CE1-CG 4.41Å; F164-R168 WeakPolarHBondContact O-CB 3.34Å; F164-R168 PolarHBondContact O-N 3.02Å; F164-I183 HydrophobicContact CD2-CD1 3.69Å; F164-I183 HydrophobicContact CD2-CG2 4.49Å; F164-I183 HydrophobicContact CE2-CD1 3.37Å; F164-I183 HydrophobicContact CZ-CD1 4.17Å; F164-T864 HydrophobicContact CD1-CG2 4.02Å; F164-T864 HydrophobicContact CE1-CG2 4.16Å; F164-T864 WeakPolarHBondContact CE1-O 3.46Å; F164-D867 HydrophobicContact CE1-CB 4.06Å; F164-D867 HydrophobicContact CZ-CB 4.09Å; F164-C868 HydrophobicContact CB-CB 4.33Å; F164-C868 HydrophobicContact CD1-CB 3.57Å; F164-C868 HydrophobicContact CD2-CB 4.13Å; F164-C868 HydrophobicContact CE1-CB 3.79Å; F164-C868 HydrophobicContact CE2-CB 4.32Å; F164-C868 HydrophobicContact CG-CB 3.75Å; F164-C868 HydrophobicContact CZ-CB 4.16Å; F164-L874 HydrophobicContact CD2-CD1 3.77Å; F164-L874 HydrophobicContact CE2-CD1 3.98Å |
| 165 | A | 88.1 | Confident | 83.3 | Confident | 13 Ų | 13 | 50.1 Ų | 50.1 | 11% | 0.107 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.7 | -32.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | F161 R163 P169 V759 T864 | F161-A165 WeakPolarHBondContact O-CB 3.33Å; F161-A165 PolarHBondContact O-N 3.05Å; R163-A165 PolarHBondContact O-N 3.44Å; A165-P169 WeakPolarHBondContact O-CD 3.17Å; A165-V759 HydrophobicContact CB-CB 4.36Å; A165-V759 HydrophobicContact CB-CG2 3.96Å; A165-T864 HydrophobicContact CB-CG2 3.71Å |
| 166 | S | 86.7 | Confident | 82.9 | Confident | 52 Ų | 52 | 54.5 Ų | 54.5 | 36% | 0.364 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -75.6 | -27.2 | 177.7 | 77.7 | 0 | 0 | 0 | 0 | 114.3 | G162 R163 F164 | G162-S166 WeakPolarHBondContact O-CB 3.43Å; G162-S166 PolarHBondContact O-N 3.07Å; G162-S166 VanDerWaalsContact O-N 3.08Å; R163-S166 PolarHBondContact O-N 2.94Å; R163-S166 VanDerWaalsContact O-N 3.15Å; R163-S166 PolarHBondContact O-OG 3.03Å; F164-S166 PolarHBondContact O-N 2.75Å |
| 167 | L | 87.2 | Confident | 82.6 | Confident | 22 Ų | 22 | 60.5 Ų | 60.5 | 12% | 0.115 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -93.7 | -35.4 | -178.2 | -67.6 | 175.3 | 0 | 0 | 0 | 112 | R163 F164 P169 K170 I183 A186 L187 | R163-L167 WeakPolarHBondContact O-CG 3.26Å; R163-L167 PolarHBondContact O-N 3.08Å; R163-L167 VanDerWaalsContact O-N 3.11Å; F164-L167 PolarHBondContact O-N 2.82Å; F164-L167 VanDerWaalsContact O-N 3.1Å; L167-P169 VanDerWaalsContact C-CD 3.47Å; L167-K170 HydrophobicContact CD2-CD 4.36Å; L167-K170 WeakPolarHBondContact O-CB 3.15Å; L167-K170 PolarHBondContact O-N 3.24Å; L167-I183 HydrophobicContact CB-CG1 4.45Å; L167-I183 HydrophobicContact CD1-CG2 4.16Å; L167-A186 HydrophobicContact CD1-CB 4.12Å; L167-A186 HydrophobicContact CD2-CB 3.94Å; L167-L187 HydrophobicContact CD1-CD2 4.08Å; L167-L187 HydrophobicContact CD1-CG 4.23Å |
| 168 | R | 85.9 | Confident | 82.4 | Confident | 68 Ų | 68 | 62 Ų | 62 | 26% | 0.257 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -46.4 | -46.1 | 178.8 | -179.5 | 63.3 | -176.1 | 102.3 | -8.2 | 115.1 | F164 K170 V171 | F164-R168 HydrophobicContact CE1-CB 4.34Å; F164-R168 HydrophobicContact CE1-CG 4.41Å; F164-R168 WeakPolarHBondContact O-CB 3.34Å; F164-R168 PolarHBondContact O-N 3.02Å; R168-K170 VanDerWaalsContact C-N 3.29Å; R168-K170 PolarHBondContact O-N 3.22Å; R168-V171 PolarHBondContact NH1-O 2.86Å; R168-V171 PolarHBondContact O-N 3.46Å |
| 169 | P | 84.9 | Confident | 82.2 | Confident | 88 Ų | 88 | 62.7 Ų | 62.7 | 57% | 0.571 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -72.9 | -17.6 | 179.2 | 27.5 | -35.2 | 0 | 0 | 0 | 114.1 | A165 L167 V171 | A165-P169 WeakPolarHBondContact O-CD 3.17Å; L167-P169 VanDerWaalsContact C-CD 3.47Å; P169-V171 VanDerWaalsContact C-N 3.27Å |
| 170 | K | 84.9 | Confident | 82.1 | Confident | 165 Ų | 165 | 62.1 Ų | 62.1 | 72% | 0.717 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -78.1 | -16.1 | 175.3 | -58.3 | -179.4 | -176.9 | 176.4 | 0 | 112.1 | L167 R168 | L167-K170 HydrophobicContact CD2-CD 4.36Å; L167-K170 WeakPolarHBondContact O-CB 3.15Å; L167-K170 PolarHBondContact O-N 3.24Å; R168-K170 VanDerWaalsContact C-N 3.29Å; R168-K170 PolarHBondContact O-N 3.22Å |
| 171 | V | 82.7 | Confident | 81.9 | Confident | 18 Ų | 18 | 67.1 Ų | 67.1 | 11% | 0.109 | 35% | 0.347 | C | S | . | . | trans | -97.1 | 108.5 | -179.8 | -177 | 0 | 0 | 0 | 0 | 109.3 | R168 P169 C173 I179 R182 I183 | R168-V171 PolarHBondContact NH1-O 2.86Å; R168-V171 PolarHBondContact O-N 3.46Å; P169-V171 VanDerWaalsContact C-N 3.27Å; V171-C173 VanDerWaalsContact C-N 3.28Å; V171-C173 HydrophobicContact CG1-CB 4.11Å; V171-C173 PolarHBondContact O-N 3.26Å; V171-I179 HydrophobicContact CG1-CG1 4.28Å; V171-R182 HydrophobicContact CB-CB 4.49Å; V171-R182 HydrophobicContact CG1-CB 3.82Å; V171-R182 HydrophobicContact CG1-CG 4.1Å; V171-R182 HydrophobicContact CG2-CB 3.81Å; V171-I183 HydrophobicContact CG2-CG1 4.13Å | ||
| 172 | A | 78.1 | Confident | 81.7 | Confident | 102 Ų | 102 | 72.4 Ų | 72.4 | 84% | 0.843 | 37% | 0.367 | S | S | * | . | trans | -76.8 | -10.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 173 | C | 76.2 | Confident | 81.7 | Confident | 38 Ų | 38 | 72.5 Ų | 72.5 | 26% | 0.257 | 37% | 0.368 | S | S | . | . | trans | -71.1 | 150.2 | -175.9 | -57.9 | 0 | 0 | 0 | 0 | 112.4 | V171 E178 I179 | V171-C173 VanDerWaalsContact C-N 3.28Å; V171-C173 HydrophobicContact CG1-CB 4.11Å; V171-C173 PolarHBondContact O-N 3.26Å; C173-E178 HydrophobicContact CB-CB 4.23Å; C173-E178 HydrophobicContact CB-CG 3.8Å; C173-E178 VanDerWaalsContact SG-CG 3.55Å; C173-I179 HydrophobicContact CB-CG1 4.38Å; C173-I179 WeakPolarHBondContact O-CD1 3.42Å; C173-I179 WeakPolarHBondContact O-CG1 3.28Å | ||
| 174 | K | 75.3 | Confident | 81.4 | Confident | 196 Ų | 196 | 68.7 Ų | 68.7 | 85% | 0.852 | 35% | 0.354 | S | S | * | . | trans | -101.9 | -25 | 176.4 | -66.9 | -174.6 | 179.3 | -178.5 | 0 | 113.5 | ||||
| 175 | E | 76.3 | Confident | 81.1 | Confident | 138 Ų | 138 | 72.6 Ų | 72.6 | 65% | 0.645 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -71.6 | 127 | -179.3 | -68.6 | -178.4 | -176.3 | 0 | 0 | 110.7 | L177 E178 I179 | E175-L177 VanDerWaalsContact C-N 3.32Å; E175-L177 PolarHBondContact O-N 3.47Å; E175-E178 HydrophobicContact CB-CB 4.15Å; E175-E178 PolarHBondContact O-N 3.36Å; E175-I179 VanDerWaalsContact O-CG1 3.31Å; E175-I179 WeakPolarHBondContact O-CG1 3.49Å; E175-I179 PolarHBondContact O-N 3Å |
| 176 | P | 73.8 | Confident | 80.6 | Confident | 100 Ų | 100 | 74.9 Ų | 74.9 | 65% | 0.649 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -55.1 | -43.5 | -177.1 | -27.6 | 34.5 | 0 | 0 | 0 | 113.8 | E178 I179 E180 | P176-E178 PolarHBondContact O-N 3.41Å; P176-I179 WeakPolarHBondContact O-CB 2.97Å; P176-I179 PolarHBondContact O-N 3.35Å; P176-E180 PolarHBondContact O-N 2.91Å |
| 177 | L | 75.5 | Confident | 80.1 | Confident | 137 Ų | 137 | 73.7 Ų | 73.7 | 72% | 0.717 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -65.7 | -39.3 | -179.4 | -64.3 | 173.8 | 0 | 0 | 0 | 112.5 | E175 R181 | E175-L177 VanDerWaalsContact C-N 3.32Å; E175-L177 PolarHBondContact O-N 3.47Å; L177-R181 PolarHBondContact O-N 2.94Å |
| 178 | E | 77.3 | Confident | 79 | Confident | 33 Ų | 33 | 78.2 Ų | 78.2 | 15% | 0.154 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -72.2 | -35.3 | 177 | -175.2 | 63.3 | -160.7 | 0 | 0 | 111 | C173 E175 P176 R181 R182 | C173-E178 HydrophobicContact CB-CB 4.23Å; C173-E178 HydrophobicContact CB-CG 3.8Å; C173-E178 VanDerWaalsContact SG-CG 3.55Å; E175-E178 HydrophobicContact CB-CB 4.15Å; E175-E178 PolarHBondContact O-N 3.36Å; P176-E178 PolarHBondContact O-N 3.41Å; E178-R181 PolarHBondContact O-N 2.92Å; E178-R181 IonicContact OE1-CZ 3.16Å; E178-R181 IonicContact OE1-NE 3.15Å; E178-R181 IonicContact OE1-NH2 2.77Å; E178-R181 PolarHBondContact OE1-NH2 2.87Å; E178-R181 IonicContact OE2-CZ 3.49Å; E178-R181 IonicContact OE2-NE 3.48Å; E178-R181 IonicContact OE2-NH1 3.25Å; E178-R181 PolarHBondContact OE2-NH1 2.94Å; E178-R181 IonicContact OE2-NH2 3.56Å; E178-R181 PolarHBondContact OE2-NH2 3.33Å; E178-R182 HydrophobicContact CG-CG 4.37Å; E178-R182 WeakPolarHBondContact O-CB 3.32Å; E178-R182 WeakPolarHBondContact O-CG 3.24Å; E178-R182 PolarHBondContact O-N 3.07Å; E178-R182 IonicContact OE1-CZ 3.59Å; E178-R182 IonicContact OE1-NE 3.96Å; E178-R182 PolarHBondContact OE1-NE 3.41Å; E178-R182 IonicContact OE1-NH2 3.85Å; E178-R182 PolarHBondContact OE1-NH2 3.07Å |
| 179 | I | 79.4 | Confident | 77.9 | Confident | 13 Ų | 13 | 77.6 Ų | 77.6 | 7% | 0.067 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -59.5 | -49.8 | 173.3 | -67.7 | 162.1 | 0 | 0 | 0 | 110 | V171 C173 E175 P176 R181 R182 I183 | V171-I179 HydrophobicContact CG1-CG1 4.28Å; C173-I179 HydrophobicContact CB-CG1 4.38Å; C173-I179 WeakPolarHBondContact O-CD1 3.42Å; C173-I179 WeakPolarHBondContact O-CG1 3.28Å; E175-I179 VanDerWaalsContact O-CG1 3.31Å; E175-I179 WeakPolarHBondContact O-CG1 3.49Å; E175-I179 PolarHBondContact O-N 3Å; P176-I179 WeakPolarHBondContact O-CB 2.97Å; P176-I179 PolarHBondContact O-N 3.35Å; I179-R181 PolarHBondContact O-N 3.38Å; I179-R182 PolarHBondContact O-N 3.49Å; I179-I183 HydrophobicContact CG2-CD1 3.67Å; I179-I183 HydrophobicContact CG2-CG1 4.42Å; I179-I183 VanDerWaalsContact O-CG1 3.25Å; I179-I183 WeakPolarHBondContact O-CG1 3.26Å; I179-I183 PolarHBondContact O-N 2.94Å |
| 180 | E | 82.7 | Confident | 77.2 | Confident | 7 Ų | 7 | 79.4 Ų | 79.4 | 3% | 0.033 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -57.4 | -49.9 | 177.2 | 179.2 | 173.6 | -137.3 | 0 | 0 | 111.1 | P176 R182 I183 I184 C871 R873 L874 | P176-E180 PolarHBondContact O-N 2.91Å; E180-R182 PolarHBondContact O-N 3.16Å; E180-I183 PolarHBondContact O-N 3.25Å; E180-I184 HydrophobicContact CG-CD1 3.69Å; E180-I184 WeakPolarHBondContact O-CD1 3.18Å; E180-I184 VanDerWaalsContact O-CG1 3.23Å; E180-I184 WeakPolarHBondContact O-CG1 3.47Å; E180-I184 PolarHBondContact O-N 3.48Å; E180-C871 HydrophobicContact CG-CB 4.39Å; E180-R873 WeakPolarHBondContact OE1-CA 3.41Å; E180-R873 WeakPolarHBondContact OE1-CB 3.31Å; E180-R873 WeakPolarHBondContact OE1-CG 3.42Å; E180-R873 PolarHBondContact OE1-N 3.08Å; E180-L874 PolarHBondContact OE1-N 2.84Å |
| 181 | R | 81.1 | Confident | 76.8 | Confident | 118 Ų | 118 | 72.3 Ų | 72.3 | 45% | 0.445 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -57.3 | -47.5 | 179.4 | -166.5 | -178.5 | 80.1 | -155.1 | -7.9 | 112.5 | L177 E178 I179 I183 I184 E185 | L177-R181 PolarHBondContact O-N 2.94Å; E178-R181 PolarHBondContact O-N 2.92Å; E178-R181 IonicContact OE1-CZ 3.16Å; E178-R181 IonicContact OE1-NE 3.15Å; E178-R181 IonicContact OE1-NH2 2.77Å; E178-R181 PolarHBondContact OE1-NH2 2.87Å; E178-R181 IonicContact OE2-CZ 3.49Å; E178-R181 IonicContact OE2-NE 3.48Å; E178-R181 IonicContact OE2-NH1 3.25Å; E178-R181 PolarHBondContact OE2-NH1 2.94Å; E178-R181 IonicContact OE2-NH2 3.56Å; E178-R181 PolarHBondContact OE2-NH2 3.33Å; I179-R181 PolarHBondContact O-N 3.38Å; R181-I183 VanDerWaalsContact C-N 3.34Å; R181-I183 PolarHBondContact O-N 2.82Å; R181-I184 WeakPolarHBondContact O-CB 3.2Å; R181-I184 PolarHBondContact O-N 3.36Å; R181-E185 WeakPolarHBondContact CG-OE1 3.33Å; R181-E185 IonicContact NE-OE1 3.57Å; R181-E185 PolarHBondContact NE-OE1 2.73Å; R181-E185 WeakPolarHBondContact O-CG 3.43Å; R181-E185 PolarHBondContact O-N 2.81Å |
| 182 | R | 82 | Confident | 76.8 | Confident | 113 Ų | 113 | 71.4 Ų | 71.4 | 43% | 0.426 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.9 | -33.9 | -179.4 | -67.2 | -64.6 | -168.7 | 113.7 | 6.3 | 113.1 | V171 E178 I179 E180 E185 A186 | V171-R182 HydrophobicContact CB-CB 4.49Å; V171-R182 HydrophobicContact CG1-CB 3.82Å; V171-R182 HydrophobicContact CG1-CG 4.1Å; V171-R182 HydrophobicContact CG2-CB 3.81Å; E178-R182 HydrophobicContact CG-CG 4.37Å; E178-R182 WeakPolarHBondContact O-CB 3.32Å; E178-R182 WeakPolarHBondContact O-CG 3.24Å; E178-R182 PolarHBondContact O-N 3.07Å; E178-R182 IonicContact OE1-CZ 3.59Å; E178-R182 IonicContact OE1-NE 3.96Å; E178-R182 PolarHBondContact OE1-NE 3.41Å; E178-R182 IonicContact OE1-NH2 3.85Å; E178-R182 PolarHBondContact OE1-NH2 3.07Å; I179-R182 PolarHBondContact O-N 3.49Å; E180-R182 PolarHBondContact O-N 3.16Å; R182-E185 WeakPolarHBondContact CD-OE2 3.34Å; R182-A186 WeakPolarHBondContact O-CB 3.5Å; R182-A186 PolarHBondContact O-N 3.31Å; R182-A186 VanDerWaalsContact O-N 3.1Å |
| 183 | I | 83.6 | Confident | 77 | Confident | 2 Ų | 2 | 68.4 Ų | 68.4 | 1% | 0.01 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68.6 | -40.4 | 175.3 | -68.9 | 172.7 | 0 | 0 | 0 | 109.8 | F164 L167 V171 I179 E180 R181 A186 L187 L874 | F164-I183 HydrophobicContact CD2-CD1 3.69Å; F164-I183 HydrophobicContact CD2-CG2 4.49Å; F164-I183 HydrophobicContact CE2-CD1 3.37Å; F164-I183 HydrophobicContact CZ-CD1 4.17Å; L167-I183 HydrophobicContact CB-CG1 4.45Å; L167-I183 HydrophobicContact CD1-CG2 4.16Å; V171-I183 HydrophobicContact CG2-CG1 4.13Å; I179-I183 HydrophobicContact CG2-CD1 3.67Å; I179-I183 HydrophobicContact CG2-CG1 4.42Å; I179-I183 VanDerWaalsContact O-CG1 3.25Å; I179-I183 WeakPolarHBondContact O-CG1 3.26Å; I179-I183 PolarHBondContact O-N 2.94Å; E180-I183 PolarHBondContact O-N 3.25Å; R181-I183 VanDerWaalsContact C-N 3.34Å; R181-I183 PolarHBondContact O-N 2.82Å; I183-A186 PolarHBondContact O-N 2.97Å; I183-L187 HydrophobicContact CG2-CD1 4.27Å; I183-L187 WeakPolarHBondContact O-CG 3.49Å; I183-L187 PolarHBondContact O-N 3.4Å; I183-L874 HydrophobicContact CB-CD1 4.49Å; I183-L874 HydrophobicContact CG2-CD1 3.9Å; I183-L874 HydrophobicContact CG2-CD2 4.3Å |
| 184 | I | 81.3 | Confident | 77.4 | Confident | 12 Ų | 12 | 66.6 Ų | 66.6 | 6% | 0.062 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.2 | -48.8 | 175.9 | -65.1 | 159.6 | 0 | 0 | 0 | 111 | E180 R181 A186 L187 F728 R873 L874 | E180-I184 HydrophobicContact CG-CD1 3.69Å; E180-I184 WeakPolarHBondContact O-CD1 3.18Å; E180-I184 VanDerWaalsContact O-CG1 3.23Å; E180-I184 WeakPolarHBondContact O-CG1 3.47Å; E180-I184 PolarHBondContact O-N 3.48Å; R181-I184 WeakPolarHBondContact O-CB 3.2Å; R181-I184 PolarHBondContact O-N 3.36Å; I184-A186 PolarHBondContact O-N 3.39Å; I184-L187 WeakPolarHBondContact O-CB 3.41Å; I184-L187 PolarHBondContact O-N 2.98Å; I184-F728 HydrophobicContact CB-CE1 4.46Å; I184-F728 HydrophobicContact CD1-CD1 3.46Å; I184-F728 VanDerWaalsContact CD1-CD1 3.46Å; I184-F728 HydrophobicContact CD1-CE1 3.29Å; I184-F728 HydrophobicContact CD1-CG 4.45Å; I184-F728 HydrophobicContact CD1-CZ 4.2Å; I184-F728 HydrophobicContact CG1-CD1 3.91Å; I184-F728 HydrophobicContact CG1-CE1 3.5Å; I184-F728 VanDerWaalsContact CG1-CE1 3.5Å; I184-F728 HydrophobicContact CG1-CZ 3.91Å; I184-F728 HydrophobicContact CG2-CB 4.07Å; I184-F728 HydrophobicContact CG2-CD1 3.78Å; I184-F728 HydrophobicContact CG2-CD2 3.91Å; I184-F728 HydrophobicContact CG2-CE1 4.08Å; I184-F728 HydrophobicContact CG2-CE2 4.24Å; I184-F728 HydrophobicContact CG2-CG 3.66Å; I184-F728 HydrophobicContact CG2-CZ 4.31Å; I184-R873 HydrophobicContact CD1-CB 4.26Å; I184-L874 HydrophobicContact CG1-CD2 3.99Å |
| 185 | E | 79.6 | Confident | 77.8 | Confident | 90 Ų | 90 | 57.2 Ų | 57.2 | 42% | 0.421 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -57.4 | -32.9 | 174.7 | -70.1 | 166.9 | -168.2 | 0 | 0 | 111.9 | R181 R182 L187 D188 | R181-E185 WeakPolarHBondContact CG-OE1 3.33Å; R181-E185 IonicContact NE-OE1 3.57Å; R181-E185 PolarHBondContact NE-OE1 2.73Å; R181-E185 WeakPolarHBondContact O-CG 3.43Å; R181-E185 PolarHBondContact O-N 2.81Å; R182-E185 WeakPolarHBondContact CD-OE2 3.34Å; E185-L187 VanDerWaalsContact C-N 3.29Å; E185-L187 PolarHBondContact O-N 3.45Å; E185-D188 VanDerWaalsContact O-OD2 3.14Å |
| 186 | A | 78.8 | Confident | 78.2 | Confident | 61 Ų | 61 | 51 Ų | 51 | 50% | 0.504 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -12.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L167 R182 I183 I184 | L167-A186 HydrophobicContact CD1-CB 4.12Å; L167-A186 HydrophobicContact CD2-CB 3.94Å; R182-A186 WeakPolarHBondContact O-CB 3.5Å; R182-A186 PolarHBondContact O-N 3.31Å; R182-A186 VanDerWaalsContact O-N 3.1Å; I183-A186 PolarHBondContact O-N 2.97Å; I184-A186 PolarHBondContact O-N 3.39Å |
| 187 | L | 75.8 | Confident | 78.6 | Confident | 27 Ų | 27 | 46.7 Ų | 46.7 | 14% | 0.141 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -7.7 | 179 | -72.8 | 167.1 | 0 | 0 | 0 | 113.6 | L167 I183 I184 E185 G189 H190 L191 L874 | L167-L187 HydrophobicContact CD1-CD2 4.08Å; L167-L187 HydrophobicContact CD1-CG 4.23Å; I183-L187 HydrophobicContact CG2-CD1 4.27Å; I183-L187 WeakPolarHBondContact O-CG 3.49Å; I183-L187 PolarHBondContact O-N 3.4Å; I184-L187 WeakPolarHBondContact O-CB 3.41Å; I184-L187 PolarHBondContact O-N 2.98Å; E185-L187 VanDerWaalsContact C-N 3.29Å; E185-L187 PolarHBondContact O-N 3.45Å; L187-G189 PolarHBondContact O-N 3.24Å; L187-H190 PolarHBondContact O-N 2.8Å; L187-L191 HydrophobicContact CB-CD2 3.87Å; L187-L874 HydrophobicContact CD1-CD2 3.85Å |
| 188 | D | 64.8 | Low | 79.1 | Confident | 116 Ų | 116 | 40.6 Ų | 40.6 | 62% | 0.62 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -41.2 | -15.5 | -168.4 | -81.9 | -7.6 | 0 | 0 | 0 | 118.1 | E185 | E185-D188 VanDerWaalsContact O-OD2 3.14Š|
| 189 | G | 62.9 | Low | 79.3 | Confident | 56 Ų | 56 | 42.4 Ų | 42.4 | 58% | 0.577 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -29.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | L187 | L187-G189 PolarHBondContact O-N 3.24Š|
| 190 | H | 68.3 | Low | 79.6 | Confident | 126 Ų | 126 | 42.8 Ų | 42.8 | 58% | 0.583 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -157.3 | 65.4 | -169.3 | -62 | -67.4 | 0 | 0 | 0 | 112.6 | L187 T739 Y877 | L187-H190 PolarHBondContact O-N 2.8Å; H190-T739 HydrophobicContact CB-CG2 4.05Å; H190-T739 WeakPolarHBondContact O-CG2 3.35Å; H190-Y877 PolarHBondContact O-OH 3.41Å |
| 191 | L | 77.5 | Confident | 79.9 | Confident | 15 Ų | 15 | 42.4 Ų | 42.4 | 8% | 0.079 | 22% | 0.224 | C | C | . | . | trans | -84.1 | 147.8 | 176.5 | -64.4 | 176.2 | 0 | 0 | 0 | 111.5 | L187 F728 | L187-L191 HydrophobicContact CB-CD2 3.87Å; L191-F728 HydrophobicContact CD1-CD2 3.97Å; L191-F728 HydrophobicContact CD2-CD2 4.15Å; L191-F728 HydrophobicContact CD2-CE2 3.84Å | ||
| 192 | H | 83.3 | Confident | 80.3 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -68.6 | 135.3 | 174.1 | -177.1 | -84.2 | 0 | 0 | 0 | 109.6 | A194 V195 C196 Y204 Y877 D884 | H192-A194 VanDerWaalsContact C-N 3.26Å; H192-A194 VanDerWaalsContact CE1-CB 3.42Å; H192-A194 WeakPolarHBondContact CE1-CB 3.4Å; H192-A194 VanDerWaalsContact ND1-CB 3.28Å; H192-A194 WeakPolarHBondContact ND1-CB 3.21Å; H192-A194 PolarHBondContact ND1-N 3.19Å; H192-A194 PolarHBondContact O-N 3.35Å; H192-A194 VanDerWaalsContact O-N 3.16Å; H192-V195 HydrophobicContact CB-CG2 4.18Å; H192-V195 PolarHBondContact O-N 3.49Å; H192-C196 PolarHBondContact O-SG 2.97Å; H192-Y204 AromaticContact CE1-CD2 3.79Å; H192-Y204 AromaticContact CE1-CE2 3.6Å; H192-Y204 AromaticContact CE1-CZ 3.93Å; H192-Y204 AromaticContact NE2-CE2 3.73Å; H192-Y877 HydrophobicContact CB-CD2 3.76Å; H192-Y877 HydrophobicContact CB-CE2 3.62Å; H192-D884 IonicContact CD2-OD2 2.89Å; H192-D884 PolarHBondContact CD2-OD2 3.4Å; H192-D884 IonicContact NE2-OD1 2.81Å; H192-D884 IonicContact NE2-OD2 2.73Å; H192-D884 PolarHBondContact NE2-OD2 3.3Å | ||
| 193 | P | 81 | Confident | 80.6 | Confident | 38 Ų | 38 | 38.2 Ų | 38.2 | 25% | 0.247 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -55.7 | -38.3 | -173.9 | 19.2 | -32.8 | 0 | 0 | 0 | 113.2 | V195 C196 N200 C735 | P193-V195 PolarHBondContact O-N 2.8Å; P193-C196 PolarHBondContact O-N 3.04Å; P193-N200 WeakPolarHBondContact O-CB 3.5Å; P193-C735 HydrophobicContact CB-CB 4.27Å |
| 194 | A | 84.3 | Confident | 80.9 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.3 | -21.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | H192 E201 Y204 N727 Y880 | H192-A194 VanDerWaalsContact C-N 3.26Å; H192-A194 VanDerWaalsContact CE1-CB 3.42Å; H192-A194 WeakPolarHBondContact CE1-CB 3.4Å; H192-A194 VanDerWaalsContact ND1-CB 3.28Å; H192-A194 WeakPolarHBondContact ND1-CB 3.21Å; H192-A194 PolarHBondContact ND1-N 3.19Å; H192-A194 PolarHBondContact O-N 3.35Å; H192-A194 VanDerWaalsContact O-N 3.16Å; A194-E201 HydrophobicContact CB-CG 4.43Å; A194-E201 WeakPolarHBondContact O-CA 3.5Å; A194-E201 WeakPolarHBondContact O-CB 3.42Å; A194-E201 PolarHBondContact O-N 3.28Å; A194-Y204 HydrophobicContact CB-CD1 3.83Å; A194-Y204 HydrophobicContact CB-CD2 4.47Å; A194-Y204 HydrophobicContact CB-CG 3.79Å; A194-N727 PolarHBondContact O-ND2 2.99Å; A194-Y880 HydrophobicContact CB-CD1 3.76Å; A194-Y880 HydrophobicContact CB-CD2 4.06Å; A194-Y880 HydrophobicContact CB-CE1 3.84Å; A194-Y880 HydrophobicContact CB-CE2 4.12Å; A194-Y880 HydrophobicContact CB-CG 3.91Å |
| 195 | V | 85.6 | Confident | 81.3 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -98.3 | -14.6 | -173.8 | -161.5 | 0 | 0 | 0 | 0 | 111.9 | H192 P193 S197 N727 F728 Y877 Y880 | H192-V195 HydrophobicContact CB-CG2 4.18Å; H192-V195 PolarHBondContact O-N 3.49Å; P193-V195 PolarHBondContact O-N 2.8Å; V195-S197 VanDerWaalsContact C-N 3.32Å; V195-S197 PolarHBondContact O-N 3.01Å; V195-N727 HydrophobicContact CG1-CB 4.34Å; V195-N727 WeakPolarHBondContact O-CB 3.33Å; V195-F728 HydrophobicContact CB-CD2 3.99Å; V195-F728 HydrophobicContact CB-CE2 3.94Å; V195-F728 HydrophobicContact CG1-CD1 3.98Å; V195-F728 HydrophobicContact CG1-CD2 3.48Å; V195-F728 VanDerWaalsContact CG1-CD2 3.48Å; V195-F728 HydrophobicContact CG1-CE1 3.87Å; V195-F728 HydrophobicContact CG1-CE2 3.31Å; V195-F728 HydrophobicContact CG1-CG 3.82Å; V195-F728 HydrophobicContact CG1-CZ 3.54Å; V195-F728 WeakPolarHBondContact O-CB 3.43Å; V195-F728 PolarHBondContact O-N 3Å; V195-Y877 HydrophobicContact CG2-CD2 4.1Å; V195-Y880 HydrophobicContact CG2-CD2 3.86Å |
| 196 | C | 83.7 | Confident | 81.9 | Confident | 6 Ų | 6 | 36 Ų | 36 | 4% | 0.041 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.1 | -42.2 | -178.8 | -65.5 | 0 | 0 | 0 | 0 | 111.7 | H192 P193 G729 A730 | H192-C196 PolarHBondContact O-SG 2.97Å; P193-C196 PolarHBondContact O-N 3.04Å; C196-G729 PolarHBondContact O-N 3.29Å; C196-A730 HydrophobicContact CB-CB 4.36Å; C196-A730 PolarHBondContact O-N 3.36Å |
| 197 | S | 82.8 | Confident | 82.4 | Confident | 11 Ų | 11 | 36 Ų | 36 | 8% | 0.077 | 19% | 0.192 | C | C | . | . | trans | -150.4 | 158.8 | 174.7 | 67.9 | 0 | 0 | 0 | 0 | 110.9 | V195 E199 N200 E201 N727 | V195-S197 VanDerWaalsContact C-N 3.32Å; V195-S197 PolarHBondContact O-N 3.01Å; S197-E199 PolarHBondContact O-N 3.5Å; S197-N200 PolarHBondContact O-N 3.34Å; S197-N200 WeakPolarHBondContact OG-CB 3.38Å; S197-N200 PolarHBondContact OG-N 3.45Å; S197-N200 PolarHBondContact OG-ND2 3.47Å; S197-E201 PolarHBondContact O-N 3.2Å; S197-N727 PolarHBondContact O-ND2 3.31Å | ||
| 198 | R | 85.4 | Confident | 82.9 | Confident | 9 Ų | 9 | 34.9 Ų | 34.9 | 3% | 0.034 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.3 | -31.4 | 175.3 | -171.7 | 59.8 | 158 | -176.5 | -1.4 | 111.8 | E201 F202 D245 N726 | R198-E201 WeakPolarHBondContact CD-OE2 3.47Å; R198-E201 IonicContact CZ-OE2 2.65Å; R198-E201 IonicContact NE-OE2 3.72Å; R198-E201 VanDerWaalsContact NH1-CD 3.33Å; R198-E201 IonicContact NH1-OE1 2.96Å; R198-E201 PolarHBondContact NH1-OE1 2.98Å; R198-E201 IonicContact NH1-OE2 2.98Å; R198-E201 PolarHBondContact NH1-OE2 3.11Å; R198-E201 VanDerWaalsContact O-CB 3.26Å; R198-E201 WeakPolarHBondContact O-CB 3.47Å; R198-E201 PolarHBondContact O-N 3.38Å; R198-F202 HydrophobicContact CG-CE1 3.82Å; R198-F202 HydrophobicContact CG-CE2 3.98Å; R198-F202 HydrophobicContact CG-CZ 3.5Å; R198-F202 VanDerWaalsContact CG-CZ 3.5Å; R198-F202 VanDerWaalsContact O-CD1 3.26Å; R198-F202 WeakPolarHBondContact O-CD1 3.23Å; R198-F202 WeakPolarHBondContact O-CD2 3.22Å; R198-F202 WeakPolarHBondContact O-CG 3.23Å; R198-F202 PolarHBondContact O-N 2.63Å; R198-F202 VanDerWaalsContact O-N 3.1Å; R198-D245 IonicContact CZ-OD1 3Å; R198-D245 IonicContact CZ-OD2 3.67Å; R198-D245 IonicContact NH1-OD1 3.6Å; R198-D245 PolarHBondContact NH1-OD1 3.27Å; R198-D245 IonicContact NH1-OD2 3.61Å; R198-D245 PolarHBondContact NH1-OD2 3.22Å; R198-D245 IonicContact NH2-OD1 3.31Å; R198-D245 IonicContact NH2-OD2 3.53Å; R198-D245 PolarHBondContact NH2-OD2 2.9Å; R198-N726 PolarHBondContact N-OD1 2.94Å |
| 199 | E | 82.5 | Confident | 84.1 | Confident | 71 Ų | 71 | 29.3 Ų | 29.3 | 33% | 0.332 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -69.3 | -40.3 | 174.9 | 176.8 | 60.6 | -164.2 | 0 | 0 | 112.3 | S197 E201 F202 R203 | S197-E199 PolarHBondContact O-N 3.5Å; E199-E201 VanDerWaalsContact C-N 3.32Å; E199-F202 PolarHBondContact O-N 3.5Å; E199-R203 WeakPolarHBondContact O-CG 3.46Å; E199-R203 PolarHBondContact O-N 3.18Å; E199-R203 VanDerWaalsContact O-N 3.08Å; E199-R203 IonicContact OE1-CZ 3.19Å; E199-R203 IonicContact OE1-NE 2.72Å; E199-R203 PolarHBondContact OE1-NE 3.44Å; E199-R203 IonicContact OE1-NH2 3.58Å; E199-R203 PolarHBondContact OE1-NH2 3.04Å |
| 200 | N | 85.6 | Confident | 85.4 | Confident | 20 Ų | 20 | 28.6 Ų | 28.6 | 11% | 0.107 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68.7 | -34.1 | 174.8 | -67.2 | -18.1 | 0 | 0 | 0 | 111.6 | P193 S197 F202 R203 Y204 N732 | P193-N200 WeakPolarHBondContact O-CB 3.5Å; S197-N200 PolarHBondContact O-N 3.34Å; S197-N200 WeakPolarHBondContact OG-CB 3.38Å; S197-N200 PolarHBondContact OG-N 3.45Å; S197-N200 PolarHBondContact OG-ND2 3.47Å; N200-F202 VanDerWaalsContact C-N 3.32Å; N200-F202 PolarHBondContact O-N 3.17Å; N200-R203 PolarHBondContact O-N 3.41Å; N200-R203 PolarHBondContact OD1-NH1 2.87Å; N200-Y204 WeakPolarHBondContact O-CB 3.31Å; N200-Y204 PolarHBondContact O-N 3.42Å; N200-N732 PolarHBondContact ND2-OD1 3.5Å |
| 201 | E | 89 | Confident | 86.2 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -54.5 | -49.3 | 169.6 | -162.1 | 179.7 | -178.7 | 0 | 0 | 111.5 | A194 S197 R198 E199 R203 Y204 L205 N727 K876 Y880 | A194-E201 HydrophobicContact CB-CG 4.43Å; A194-E201 WeakPolarHBondContact O-CA 3.5Å; A194-E201 WeakPolarHBondContact O-CB 3.42Å; A194-E201 PolarHBondContact O-N 3.28Å; S197-E201 PolarHBondContact O-N 3.2Å; R198-E201 WeakPolarHBondContact CD-OE2 3.47Å; R198-E201 IonicContact CZ-OE2 2.65Å; R198-E201 IonicContact NE-OE2 3.72Å; R198-E201 VanDerWaalsContact NH1-CD 3.33Å; R198-E201 IonicContact NH1-OE1 2.96Å; R198-E201 PolarHBondContact NH1-OE1 2.98Å; R198-E201 IonicContact NH1-OE2 2.98Å; R198-E201 PolarHBondContact NH1-OE2 3.11Å; R198-E201 VanDerWaalsContact O-CB 3.26Å; R198-E201 WeakPolarHBondContact O-CB 3.47Å; R198-E201 PolarHBondContact O-N 3.38Å; E199-E201 VanDerWaalsContact C-N 3.32Å; E201-R203 VanDerWaalsContact C-N 3.32Å; E201-R203 PolarHBondContact O-N 2.76Å; E201-Y204 PolarHBondContact O-N 3.31Å; E201-L205 HydrophobicContact CG-CD1 4.31Å; E201-L205 WeakPolarHBondContact O-CG 3.42Å; E201-L205 PolarHBondContact O-N 3.05Å; E201-N727 PolarHBondContact OE2-ND2 3.08Å; E201-N727 PolarHBondContact OE2-OD1 3.08Å; E201-K876 VanDerWaalsContact CD-CE 3.43Å; E201-K876 VanDerWaalsContact CD-NZ 3.26Å; E201-K876 WeakPolarHBondContact OE1-CE 3.4Å; E201-K876 IonicContact OE1-NZ 3.64Å; E201-K876 PolarHBondContact OE1-NZ 3.26Å; E201-K876 WeakPolarHBondContact OE2-CE 3.4Å; E201-K876 IonicContact OE2-NZ 3.94Å; E201-K876 PolarHBondContact OE2-NZ 3.4Å; E201-Y880 VanDerWaalsContact CD-OH 3.22Å; E201-Y880 HydrophobicContact CG-CE2 4.07Å; E201-Y880 WeakPolarHBondContact CG-OH 3.47Å; E201-Y880 PolarHBondContact OE1-OH 2.98Å |
| 202 | F | 89.7 | Confident | 86.6 | Confident | 16 Ų | 16 | 23.4 Ų | 23.4 | 7% | 0.07 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.8 | -38.4 | 179.9 | -62.9 | -14 | 0 | 0 | 0 | 112.3 | R198 E199 N200 R206 F237 L241 | R198-F202 HydrophobicContact CG-CE1 3.82Å; R198-F202 HydrophobicContact CG-CE2 3.98Å; R198-F202 HydrophobicContact CG-CZ 3.5Å; R198-F202 VanDerWaalsContact CG-CZ 3.5Å; R198-F202 VanDerWaalsContact O-CD1 3.26Å; R198-F202 WeakPolarHBondContact O-CD1 3.23Å; R198-F202 WeakPolarHBondContact O-CD2 3.22Å; R198-F202 WeakPolarHBondContact O-CG 3.23Å; R198-F202 PolarHBondContact O-N 2.63Å; R198-F202 VanDerWaalsContact O-N 3.1Å; E199-F202 PolarHBondContact O-N 3.5Å; N200-F202 VanDerWaalsContact C-N 3.32Å; N200-F202 PolarHBondContact O-N 3.17Å; F202-R206 WeakPolarHBondContact O-CB 3.31Å; F202-R206 VanDerWaalsContact O-CG 3.27Å; F202-R206 WeakPolarHBondContact O-CG 3.34Å; F202-R206 PolarHBondContact O-N 3.48Å; F202-F237 HydrophobicContact CB-CE1 4.03Å; F202-F237 HydrophobicContact CB-CZ 3.9Å; F202-F237 HydrophobicContact CD1-CD1 4.48Å; F202-F237 AromaticContact CD1-CE1 3.51Å; F202-F237 HydrophobicContact CD1-CE1 3.51Å; F202-F237 HydrophobicContact CD1-CZ 4.27Å; F202-F237 HydrophobicContact CD2-CE1 4.48Å; F202-F237 AromaticContact CE1-CE1 3.98Å; F202-F237 HydrophobicContact CE1-CE1 3.98Å; F202-F237 AromaticContact CG-CE1 3.76Å; F202-F237 HydrophobicContact CG-CE1 3.76Å; F202-F237 HydrophobicContact CG-CZ 4.11Å; F202-L241 HydrophobicContact CE1-CD1 4.39Å; F202-L241 HydrophobicContact CE1-CD2 3.96Å |
| 203 | R | 88.2 | Confident | 86.8 | Confident | 126 Ų | 126 | 23.5 Ų | 23.5 | 48% | 0.475 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -64.2 | -45.8 | 175.1 | -69.8 | -178.7 | -171.1 | 120.7 | 6.7 | 111.8 | E199 N200 E201 R206 S207 | E199-R203 WeakPolarHBondContact O-CG 3.46Å; E199-R203 PolarHBondContact O-N 3.18Å; E199-R203 VanDerWaalsContact O-N 3.08Å; E199-R203 IonicContact OE1-CZ 3.19Å; E199-R203 IonicContact OE1-NE 2.72Å; E199-R203 PolarHBondContact OE1-NE 3.44Å; E199-R203 IonicContact OE1-NH2 3.58Å; E199-R203 PolarHBondContact OE1-NH2 3.04Å; N200-R203 PolarHBondContact O-N 3.41Å; N200-R203 PolarHBondContact OD1-NH1 2.87Å; E201-R203 VanDerWaalsContact C-N 3.32Å; E201-R203 PolarHBondContact O-N 2.76Å; R203-R206 PolarHBondContact O-N 3.48Å; R203-S207 PolarHBondContact O-N 3.28Å |
| 204 | Y | 89.3 | Confident | 87.1 | Confident | 17 Ų | 17 | 27.6 Ų | 27.6 | 7% | 0.067 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.9 | -47.1 | 176.9 | 171.4 | -87.5 | 0 | 0 | 0 | 111.6 | H192 A194 N200 E201 R206 S207 V208 Y880 L883 D884 | H192-Y204 AromaticContact CE1-CD2 3.79Å; H192-Y204 AromaticContact CE1-CE2 3.6Å; H192-Y204 AromaticContact CE1-CZ 3.93Å; H192-Y204 AromaticContact NE2-CE2 3.73Å; A194-Y204 HydrophobicContact CB-CD1 3.83Å; A194-Y204 HydrophobicContact CB-CD2 4.47Å; A194-Y204 HydrophobicContact CB-CG 3.79Å; N200-Y204 WeakPolarHBondContact O-CB 3.31Å; N200-Y204 PolarHBondContact O-N 3.42Å; E201-Y204 PolarHBondContact O-N 3.31Å; Y204-R206 VanDerWaalsContact C-N 3.26Å; Y204-R206 PolarHBondContact O-N 3.41Å; Y204-S207 PolarHBondContact O-N 2.71Å; Y204-S207 VanDerWaalsContact O-N 3.11Å; Y204-S207 PolarHBondContact O-OG 3.41Å; Y204-V208 HydrophobicContact CD1-CG2 4.24Å; Y204-V208 HydrophobicContact CE1-CG2 3.7Å; Y204-V208 HydrophobicContact CE2-CG2 4.18Å; Y204-V208 WeakPolarHBondContact O-CG2 3.46Å; Y204-V208 PolarHBondContact O-N 2.96Å; Y204-Y880 AromaticContact CD1-CD1 3.89Å; Y204-Y880 HydrophobicContact CD1-CD1 3.89Å; Y204-Y880 AromaticContact CD1-CE1 3.68Å; Y204-Y880 HydrophobicContact CD1-CE1 3.68Å; Y204-Y880 AromaticContact CE1-CD1 3.48Å; Y204-Y880 HydrophobicContact CE1-CD1 3.48Å; Y204-Y880 VanDerWaalsContact CE1-CD1 3.48Å; Y204-Y880 AromaticContact CE1-CE1 3.58Å; Y204-Y880 HydrophobicContact CE1-CE1 3.58Å; Y204-L883 HydrophobicContact CE1-CD2 3.88Å; Y204-D884 WeakPolarHBondContact CE2-OD1 3.45Å; Y204-D884 PolarHBondContact OH-OD1 3.04Å |
| 205 | L | 88.9 | Confident | 87 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.3 | -33.7 | 177.9 | -70.1 | 179.8 | 0 | 0 | 0 | 112.3 | E201 A209 A236 L240 L241 M244 Y880 | E201-L205 HydrophobicContact CG-CD1 4.31Å; E201-L205 WeakPolarHBondContact O-CG 3.42Å; E201-L205 PolarHBondContact O-N 3.05Å; L205-A209 WeakPolarHBondContact O-CB 3.3Å; L205-A209 PolarHBondContact O-N 3.42Å; L205-A236 HydrophobicContact CB-CB 4.19Å; L205-L240 HydrophobicContact CD2-CB 4Å; L205-L240 HydrophobicContact CD2-CD1 4.34Å; L205-L241 HydrophobicContact CD1-CB 3.87Å; L205-L241 HydrophobicContact CD1-CD1 3.73Å; L205-L241 HydrophobicContact CD1-CG 4.42Å; L205-M244 HydrophobicContact CD2-CG 4.31Å; L205-Y880 HydrophobicContact CD2-CE1 3.97Å; L205-Y880 HydrophobicContact CG-CE1 4.5Å |
| 206 | R | 92.2 | Very high | 86.9 | Confident | 41 Ų | 41 | 29.4 Ų | 29.4 | 16% | 0.155 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.6 | -35.6 | 173.2 | -76.7 | -177.1 | -173 | 115.5 | 5.5 | 113 | F202 R203 Y204 S210 E233 A236 F237 | F202-R206 WeakPolarHBondContact O-CB 3.31Å; F202-R206 VanDerWaalsContact O-CG 3.27Å; F202-R206 WeakPolarHBondContact O-CG 3.34Å; F202-R206 PolarHBondContact O-N 3.48Å; R203-R206 PolarHBondContact O-N 3.48Å; Y204-R206 VanDerWaalsContact C-N 3.26Å; Y204-R206 PolarHBondContact O-N 3.41Å; R206-S210 WeakPolarHBondContact O-CB 3.31Å; R206-S210 PolarHBondContact O-N 3.3Å; R206-S210 PolarHBondContact O-OG 3Å; R206-E233 IonicContact CZ-OE1 2.74Å; R206-E233 IonicContact CZ-OE2 3.93Å; R206-E233 IonicContact NE-OE1 3.58Å; R206-E233 PolarHBondContact NE-OE1 3.49Å; R206-E233 IonicContact NE-OE2 3.8Å; R206-E233 PolarHBondContact NE-OE2 3.47Å; R206-E233 IonicContact NH2-OE1 3.17Å; R206-E233 PolarHBondContact NH2-OE1 3.28Å; R206-E233 IonicContact NH2-OE2 3.26Å; R206-A236 HydrophobicContact CG-CB 4.24Å; R206-F237 HydrophobicContact CG-CE2 3.86Å; R206-F237 HydrophobicContact CG-CZ 4.11Å |
| 207 | S | 89.3 | Confident | 87 | Confident | 60 Ų | 60 | 30.2 Ų | 30.2 | 42% | 0.42 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -68 | -46.6 | 175.2 | 59.3 | 0 | 0 | 0 | 0 | 110.7 | R203 Y204 A209 S210 L211 | R203-S207 PolarHBondContact O-N 3.28Å; Y204-S207 PolarHBondContact O-N 2.71Å; Y204-S207 VanDerWaalsContact O-N 3.11Å; Y204-S207 PolarHBondContact O-OG 3.41Å; S207-A209 VanDerWaalsContact C-N 3.33Å; S207-A209 PolarHBondContact O-N 3.28Å; S207-S210 WeakPolarHBondContact O-CB 3.41Å; S207-S210 PolarHBondContact O-N 3.04Å; S207-S210 VanDerWaalsContact O-N 3.15Å; S207-L211 PolarHBondContact O-N 3.27Å |
| 208 | V | 86.2 | Confident | 86.9 | Confident | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.024 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.8 | -45.9 | 173.1 | 176.1 | 0 | 0 | 0 | 0 | 110.9 | Y204 S210 L211 L212 L240 L887 | Y204-V208 HydrophobicContact CD1-CG2 4.24Å; Y204-V208 HydrophobicContact CE1-CG2 3.7Å; Y204-V208 HydrophobicContact CE2-CG2 4.18Å; Y204-V208 WeakPolarHBondContact O-CG2 3.46Å; Y204-V208 PolarHBondContact O-N 2.96Å; V208-S210 VanDerWaalsContact C-N 3.32Å; V208-S210 PolarHBondContact O-N 3.49Å; V208-L211 WeakPolarHBondContact O-CB 3.38Å; V208-L211 PolarHBondContact O-N 3.37Å; V208-L212 HydrophobicContact CG1-CD1 4.14Å; V208-L212 HydrophobicContact CG1-CG 4.37Å; V208-L212 WeakPolarHBondContact O-CG 2.94Å; V208-L212 PolarHBondContact O-N 3.28Å; V208-L240 HydrophobicContact CB-CD1 4.37Å; V208-L240 HydrophobicContact CG1-CD1 3.84Å; V208-L887 HydrophobicContact CB-CD1 4.45Å; V208-L887 HydrophobicContact CG1-CD1 3.73Å; V208-L887 HydrophobicContact CG1-CD2 4.27Å; V208-L887 HydrophobicContact CG2-CD1 3.83Å |
| 209 | A | 89.5 | Confident | 86.6 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.6 | -38.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L205 S207 L211 L212 A213 R232 I235 A236 | L205-A209 WeakPolarHBondContact O-CB 3.3Å; L205-A209 PolarHBondContact O-N 3.42Å; S207-A209 VanDerWaalsContact C-N 3.33Å; S207-A209 PolarHBondContact O-N 3.28Å; A209-L211 VanDerWaalsContact C-N 3.33Å; A209-L212 PolarHBondContact O-N 3.46Å; A209-A213 VanDerWaalsContact O-CB 3.24Å; A209-A213 WeakPolarHBondContact O-CB 3.11Å; A209-A213 PolarHBondContact O-N 3.15Å; A209-R232 HydrophobicContact CB-CG 3.85Å; A209-R232 VanDerWaalsContact CB-O 3.3Å; A209-R232 WeakPolarHBondContact CB-O 3.25Å; A209-I235 HydrophobicContact CB-CB 3.8Å; A209-I235 HydrophobicContact CB-CG2 3.72Å; A209-A236 HydrophobicContact CB-CB 3.82Å |
| 210 | S | 90.2 | Very high | 86.6 | Confident | 41 Ų | 41 | 34.7 Ų | 34.7 | 29% | 0.287 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65.8 | -38.4 | 176.6 | -55.1 | 0 | 0 | 0 | 0 | 111.5 | R206 S207 V208 A213 K214 R232 | R206-S210 WeakPolarHBondContact O-CB 3.31Å; R206-S210 PolarHBondContact O-N 3.3Å; R206-S210 PolarHBondContact O-OG 3Å; S207-S210 WeakPolarHBondContact O-CB 3.41Å; S207-S210 PolarHBondContact O-N 3.04Å; S207-S210 VanDerWaalsContact O-N 3.15Å; V208-S210 VanDerWaalsContact C-N 3.32Å; V208-S210 PolarHBondContact O-N 3.49Å; S210-A213 PolarHBondContact O-N 3.5Å; S210-K214 WeakPolarHBondContact O-CG 3.17Å; S210-K214 PolarHBondContact O-N 3.33Å; S210-K214 VanDerWaalsContact O-N 3.09Å; S210-R232 WeakPolarHBondContact OG-CD 3.42Å |
| 211 | L | 86.4 | Confident | 86.1 | Confident | 28 Ų | 28 | 39.5 Ų | 39.5 | 15% | 0.147 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.8 | -47.9 | 175.4 | -168.2 | 67 | 0 | 0 | 0 | 111.6 | S207 V208 A209 K214 T215 F891 L894 I899 | S207-L211 PolarHBondContact O-N 3.27Å; V208-L211 WeakPolarHBondContact O-CB 3.38Å; V208-L211 PolarHBondContact O-N 3.37Å; A209-L211 VanDerWaalsContact C-N 3.33Å; L211-K214 PolarHBondContact O-N 3.1Å; L211-T215 PolarHBondContact O-N 2.71Å; L211-T215 VanDerWaalsContact O-N 3.07Å; L211-T215 PolarHBondContact O-OG1 3.23Å; L211-F891 HydrophobicContact CD2-CD2 4.33Å; L211-L894 HydrophobicContact CD1-CD1 3.37Å; L211-L894 HydrophobicContact CD1-CD2 4Å; L211-L894 HydrophobicContact CD1-CG 4.27Å; L211-L894 HydrophobicContact CD2-CD1 4.07Å; L211-L894 HydrophobicContact CG-CD1 3.88Å; L211-I899 HydrophobicContact CD2-CG1 4.01Å |
| 212 | L | 84.7 | Confident | 85.7 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62 | -43.4 | 175.9 | -69.6 | 179.8 | 0 | 0 | 0 | 111.3 | L136 V208 A209 K214 T215 C216 I235 L240 F891 | L136-L212 HydrophobicContact CD2-CD2 4.01Å; V208-L212 HydrophobicContact CG1-CD1 4.14Å; V208-L212 HydrophobicContact CG1-CG 4.37Å; V208-L212 WeakPolarHBondContact O-CG 2.94Å; V208-L212 PolarHBondContact O-N 3.28Å; A209-L212 PolarHBondContact O-N 3.46Å; L212-K214 PolarHBondContact O-N 3.17Å; L212-T215 PolarHBondContact O-N 3.1Å; L212-C216 VanDerWaalsContact O-CB 3.3Å; L212-C216 WeakPolarHBondContact O-CB 3.17Å; L212-C216 PolarHBondContact O-N 3.4Å; L212-C216 PolarHBondContact O-SG 3.18Å; L212-I235 HydrophobicContact CB-CD1 4.42Å; L212-I235 HydrophobicContact CB-CG2 4.46Å; L212-I235 HydrophobicContact CD1-CG2 3.89Å; L212-L240 HydrophobicContact CD1-CD1 4.26Å; L212-F891 HydrophobicContact CD2-CE2 3.69Å; L212-F891 HydrophobicContact CD2-CZ 3.49Å; L212-F891 VanDerWaalsContact CD2-CZ 3.49Å |
| 213 | A | 87.9 | Confident | 85.3 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 2% | 0.017 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.3 | -48.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | A209 S210 T215 C216 F217 I220 L231 I235 | A209-A213 VanDerWaalsContact O-CB 3.24Å; A209-A213 WeakPolarHBondContact O-CB 3.11Å; A209-A213 PolarHBondContact O-N 3.15Å; S210-A213 PolarHBondContact O-N 3.5Å; A213-T215 VanDerWaalsContact C-N 3.27Å; A213-T215 PolarHBondContact O-N 2.99Å; A213-C216 PolarHBondContact O-N 3Å; A213-F217 WeakPolarHBondContact O-CA 3.46Å; A213-F217 WeakPolarHBondContact O-CB 3.2Å; A213-F217 PolarHBondContact O-N 3.28Å; A213-I220 HydrophobicContact CB-CD1 3.54Å; A213-L231 HydrophobicContact CB-CD2 4Å; A213-L231 HydrophobicContact CB-CG 4.29Å; A213-I235 HydrophobicContact CB-CD1 4.04Å |
| 214 | K | 86.9 | Confident | 85 | Confident | 123 Ų | 123 | 45.4 Ų | 45.4 | 54% | 0.535 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.2 | -33.1 | 176.3 | -72.8 | -176.4 | 175.1 | -164.4 | 0 | 113.6 | S210 L211 L212 F217 I220 | S210-K214 WeakPolarHBondContact O-CG 3.17Å; S210-K214 PolarHBondContact O-N 3.33Å; S210-K214 VanDerWaalsContact O-N 3.09Å; L211-K214 PolarHBondContact O-N 3.1Å; L212-K214 PolarHBondContact O-N 3.17Å; K214-F217 CarbonylContact O-C 3.34Å; K214-I220 HydrophobicContact CG-CG2 4Å |
| 215 | T | 82.6 | Confident | 84.6 | Confident | 36 Ų | 36 | 47.5 Ų | 47.5 | 22% | 0.221 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -81.3 | -36.5 | -178.5 | -48.4 | 0 | 0 | 0 | 0 | 112.4 | L211 L212 A213 F891 | L211-T215 PolarHBondContact O-N 2.71Å; L211-T215 VanDerWaalsContact O-N 3.07Å; L211-T215 PolarHBondContact O-OG1 3.23Å; L212-T215 PolarHBondContact O-N 3.1Å; A213-T215 VanDerWaalsContact C-N 3.27Å; A213-T215 PolarHBondContact O-N 2.99Å; T215-F891 HydrophobicContact CG2-CD1 4.09Å; T215-F891 HydrophobicContact CG2-CE1 3.52Å |
| 216 | C | 84 | Confident | 84.2 | Confident | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.02 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -78.4 | -30.9 | 178 | -65.3 | 0 | 0 | 0 | 0 | 112.4 | I132 V135 L212 A213 | I132-C216 HydrophobicContact CG1-CB 4.24Å; V135-C216 HydrophobicContact CG2-CB 4.46Å; L212-C216 VanDerWaalsContact O-CB 3.3Å; L212-C216 WeakPolarHBondContact O-CB 3.17Å; L212-C216 PolarHBondContact O-N 3.4Å; L212-C216 PolarHBondContact O-SG 3.18Å; A213-C216 PolarHBondContact O-N 3Å |
| 217 | F | 86.4 | Confident | 83.9 | Confident | 22 Ų | 22 | 50 Ų | 50 | 10% | 0.096 | 28% | 0.277 | C | S | . | . | trans | -130.5 | 88.4 | -177.8 | -55.3 | -86.4 | 0 | 0 | 0 | 109.6 | L128 R131 I132 A213 K214 D219 I220 W223 L231 | L128-F217 HydrophobicContact CB-CZ 4.43Å; L128-F217 HydrophobicContact CD2-CE1 3.79Å; L128-F217 HydrophobicContact CD2-CZ 3.74Å; R131-F217 HydrophobicContact CB-CE1 4.1Å; R131-F217 HydrophobicContact CB-CZ 3.97Å; R131-F217 HydrophobicContact CG-CD1 4.45Å; R131-F217 HydrophobicContact CG-CE1 3.68Å; R131-F217 HydrophobicContact CG-CZ 3.88Å; I132-F217 HydrophobicContact CD1-CE2 4.15Å; I132-F217 HydrophobicContact CG1-CE2 3.67Å; I132-F217 HydrophobicContact CG1-CZ 4.14Å; A213-F217 WeakPolarHBondContact O-CA 3.46Å; A213-F217 WeakPolarHBondContact O-CB 3.2Å; A213-F217 PolarHBondContact O-N 3.28Å; K214-F217 CarbonylContact O-C 3.34Å; F217-D219 PolarHBondContact O-N 3.33Å; F217-I220 HydrophobicContact CB-CB 4.13Å; F217-I220 VanDerWaalsContact O-CB 3.26Å; F217-I220 WeakPolarHBondContact O-CB 3.33Å; F217-I220 WeakPolarHBondContact O-CG2 3.44Å; F217-I220 PolarHBondContact O-N 3.05Å; F217-I220 VanDerWaalsContact O-N 3.14Å; F217-W223 HydrophobicContact CB-CZ2 4.41Å; F217-W223 AromaticContact CD1-CH2 3.81Å; F217-W223 HydrophobicContact CD1-CH2 3.81Å; F217-W223 AromaticContact CD1-CZ2 3.86Å; F217-W223 HydrophobicContact CD1-CZ2 3.86Å; F217-W223 HydrophobicContact CE1-CH2 4.1Å; F217-W223 HydrophobicContact CE1-CZ2 4.46Å; F217-W223 HydrophobicContact CG-CH2 4.1Å; F217-W223 HydrophobicContact CG-CZ2 4.29Å; F217-L231 HydrophobicContact CD2-CD2 3.53Å; F217-L231 HydrophobicContact CE2-CD1 4.16Å; F217-L231 HydrophobicContact CE2-CD2 3.71Å; F217-L231 HydrophobicContact CG-CD2 4.25Å | ||
| 218 | P | 81 | Confident | 83.8 | Confident | 82 Ų | 82 | 49 Ų | 49 | 53% | 0.532 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -58.1 | -31.2 | 176.3 | -24.8 | 35.2 | 0 | 0 | 0 | 113 | I220 | P218-I220 PolarHBondContact O-N 2.93Š|
| 219 | D | 79.3 | Confident | 83.8 | Confident | 98 Ų | 98 | 54.8 Ų | 54.8 | 52% | 0.524 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -84.2 | 6.9 | -177.6 | -42.5 | -39.7 | 0 | 0 | 0 | 112.4 | F217 D221 E222 | F217-D219 PolarHBondContact O-N 3.33Å; D219-D221 PolarHBondContact O-N 3.15Å; D219-D221 VanDerWaalsContact O-N 3.17Å; D219-E222 WeakPolarHBondContact O-CA 3.47Å; D219-E222 WeakPolarHBondContact O-CB 3.31Å; D219-E222 PolarHBondContact O-N 2.6Å |
| 220 | I | 81.2 | Confident | 83.9 | Confident | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.026 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -61.2 | -26.2 | -179.1 | -164.2 | 171.4 | 0 | 0 | 0 | 112.9 | A213 K214 F217 P218 E222 W223 L231 | A213-I220 HydrophobicContact CB-CD1 3.54Å; K214-I220 HydrophobicContact CG-CG2 4Å; F217-I220 HydrophobicContact CB-CB 4.13Å; F217-I220 VanDerWaalsContact O-CB 3.26Å; F217-I220 WeakPolarHBondContact O-CB 3.33Å; F217-I220 WeakPolarHBondContact O-CG2 3.44Å; F217-I220 PolarHBondContact O-N 3.05Å; F217-I220 VanDerWaalsContact O-N 3.14Å; P218-I220 PolarHBondContact O-N 2.93Å; I220-E222 PolarHBondContact O-N 2.86Å; I220-W223 HydrophobicContact CG1-CD2 4.29Å; I220-W223 HydrophobicContact CG1-CE3 4.17Å; I220-W223 WeakPolarHBondContact O-CB 3.24Å; I220-W223 PolarHBondContact O-N 2.72Å; I220-W223 VanDerWaalsContact O-N 3.09Å; I220-L231 HydrophobicContact CD1-CD2 3.73Å |
| 221 | D | 76.1 | Confident | 83.9 | Confident | 121 Ų | 121 | 56.1 Ų | 56.1 | 65% | 0.647 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -69.2 | -17.5 | 176.2 | -68.1 | -26.5 | 0 | 0 | 0 | 111.6 | D219 | D219-D221 PolarHBondContact O-N 3.15Å; D219-D221 VanDerWaalsContact O-N 3.17Å |
| 222 | E | 79.6 | Confident | 84.2 | Confident | 150 Ų | 150 | 58.5 Ų | 58.5 | 70% | 0.701 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -88.8 | -7 | 172.5 | -52.8 | -174.8 | 168.1 | 0 | 0 | 112.7 | D219 I220 F677 | D219-E222 WeakPolarHBondContact O-CA 3.47Å; D219-E222 WeakPolarHBondContact O-CB 3.31Å; D219-E222 PolarHBondContact O-N 2.6Å; I220-E222 PolarHBondContact O-N 2.86Å; E222-F677 VanDerWaalsContact O-CZ 3.31Å; E222-F677 WeakPolarHBondContact O-CZ 3.11Å |
| 223 | W | 82.2 | Confident | 84.5 | Confident | 75 Ų | 75 | 60.9 Ų | 60.9 | 28% | 0.284 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -83.7 | 155.5 | -179.6 | -65.6 | 14.2 | 0 | 0 | 0 | 111.4 | L128 F217 I220 A227 L231 F677 | L128-W223 HydrophobicContact CD2-CH2 3.68Å; L128-W223 HydrophobicContact CD2-CZ3 4.29Å; F217-W223 HydrophobicContact CB-CZ2 4.41Å; F217-W223 AromaticContact CD1-CH2 3.81Å; F217-W223 HydrophobicContact CD1-CH2 3.81Å; F217-W223 AromaticContact CD1-CZ2 3.86Å; F217-W223 HydrophobicContact CD1-CZ2 3.86Å; F217-W223 HydrophobicContact CE1-CH2 4.1Å; F217-W223 HydrophobicContact CE1-CZ2 4.46Å; F217-W223 HydrophobicContact CG-CH2 4.1Å; F217-W223 HydrophobicContact CG-CZ2 4.29Å; I220-W223 HydrophobicContact CG1-CD2 4.29Å; I220-W223 HydrophobicContact CG1-CE3 4.17Å; I220-W223 WeakPolarHBondContact O-CB 3.24Å; I220-W223 PolarHBondContact O-N 2.72Å; I220-W223 VanDerWaalsContact O-N 3.09Å; W223-A227 HydrophobicContact CB-CB 4.43Å; W223-A227 HydrophobicContact CE3-CB 4.25Å; W223-L231 HydrophobicContact CH2-CD2 4.13Å; W223-L231 HydrophobicContact CZ3-CB 4.45Å; W223-L231 HydrophobicContact CZ3-CD2 3.68Å; W223-F677 WeakPolarHBondContact O-CE1 3.16Å; W223-F677 WeakPolarHBondContact O-CZ 3.29Å |
| 224 | S | 80.7 | Confident | 84.7 | Confident | 41 Ų | 41 | 60.8 Ų | 60.8 | 29% | 0.287 | 31% | 0.31 | S | S | . | . | trans | -57 | 145.6 | 171.8 | 70.1 | 0 | 0 | 0 | 0 | 111.7 | S226 A227 S228 | S224-S226 PolarHBondContact O-N 3.28Å; S224-S226 VanDerWaalsContact O-N 3.12Å; S224-A227 PolarHBondContact O-N 2.91Å; S224-A227 VanDerWaalsContact OG-CB 3.29Å; S224-A227 WeakPolarHBondContact OG-CB 3.32Å; S224-A227 PolarHBondContact OG-N 3.46Å; S224-S228 PolarHBondContact O-N 3.47Å | ||
| 225 | D | 81.1 | Confident | 84.7 | Confident | 61 Ų | 61 | 55 Ų | 55 | 33% | 0.326 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -49.9 | -39.7 | 175.5 | -109.5 | 35 | 0 | 0 | 0 | 112.2 | R229 | D225-R229 WeakPolarHBondContact O-CB 3.38Å; D225-R229 WeakPolarHBondContact O-CD 3.47Å; D225-R229 WeakPolarHBondContact O-CG 3.16Å; D225-R229 PolarHBondContact O-N 3.33Å; D225-R229 IonicContact OD2-CZ 3.91Å; D225-R229 IonicContact OD2-NE 3.81Å; D225-R229 IonicContact OD2-NH2 3.52Å; D225-R229 PolarHBondContact OD2-NH2 3.31Å |
| 226 | S | 81.7 | Confident | 85 | Confident | 59 Ų | 59 | 53.3 Ų | 53.3 | 41% | 0.413 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.7 | -45.5 | 177.6 | -62.5 | 0 | 0 | 0 | 0 | 112.1 | S224 R229 F230 | S224-S226 PolarHBondContact O-N 3.28Å; S224-S226 VanDerWaalsContact O-N 3.12Å; S226-R229 PolarHBondContact O-N 3.28Å; S226-F230 VanDerWaalsContact O-CB 3.31Å; S226-F230 WeakPolarHBondContact O-CB 3.27Å; S226-F230 PolarHBondContact O-N 2.9Å |
| 227 | A | 84.8 | Confident | 85.3 | Confident | 35 Ų | 35 | 54.9 Ų | 54.9 | 29% | 0.289 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.5 | -42.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | W223 S224 R229 F230 L231 | W223-A227 HydrophobicContact CB-CB 4.43Å; W223-A227 HydrophobicContact CE3-CB 4.25Å; S224-A227 PolarHBondContact O-N 2.91Å; S224-A227 VanDerWaalsContact OG-CB 3.29Å; S224-A227 WeakPolarHBondContact OG-CB 3.32Å; S224-A227 PolarHBondContact OG-N 3.46Å; A227-R229 PolarHBondContact O-N 2.89Å; A227-F230 WeakPolarHBondContact O-CB 3.27Å; A227-F230 PolarHBondContact O-N 3.49Å; A227-L231 PolarHBondContact O-N 2.92Å |
| 228 | S | 86.6 | Confident | 85.2 | Confident | 39 Ų | 39 | 54 Ų | 54 | 27% | 0.273 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 175.8 | 179.5 | 0 | 0 | 0 | 0 | 111.7 | S224 L231 R232 | S224-S228 PolarHBondContact O-N 3.47Å; S228-L231 PolarHBondContact O-N 3.23Å; S228-R232 PolarHBondContact O-N 3.5Å |
| 229 | R | 88 | Confident | 85.5 | Confident | 125 Ų | 125 | 50.8 Ų | 50.8 | 47% | 0.472 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.7 | -39.8 | 174.6 | -71.8 | 170.8 | -163.6 | -169.2 | 10.1 | 112.4 | D225 S226 A227 R232 E233 | D225-R229 WeakPolarHBondContact O-CB 3.38Å; D225-R229 WeakPolarHBondContact O-CD 3.47Å; D225-R229 WeakPolarHBondContact O-CG 3.16Å; D225-R229 PolarHBondContact O-N 3.33Å; D225-R229 IonicContact OD2-CZ 3.91Å; D225-R229 IonicContact OD2-NE 3.81Å; D225-R229 IonicContact OD2-NH2 3.52Å; D225-R229 PolarHBondContact OD2-NH2 3.31Å; S226-R229 PolarHBondContact O-N 3.28Å; A227-R229 PolarHBondContact O-N 2.89Å; R229-R232 PolarHBondContact O-N 2.85Å; R229-E233 WeakPolarHBondContact O-CB 3.4Å; R229-E233 PolarHBondContact O-N 3.28Å |
| 230 | F | 90.5 | Very high | 85.8 | Confident | 69 Ų | 69 | 46.4 Ų | 46.4 | 30% | 0.303 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.3 | -49.1 | 176 | 174.7 | -96.2 | 0 | 0 | 0 | 111 | F107 W111 I125 S226 A227 R232 E233 L234 | F107-F230 AromaticContact CE1-CE2 3.88Å; F107-F230 HydrophobicContact CE1-CE2 3.88Å; F107-F230 AromaticContact CE1-CZ 3.94Å; F107-F230 HydrophobicContact CE1-CZ 3.94Å; F107-F230 HydrophobicContact CZ-CE2 4.21Å; W111-F230 HydrophobicContact CH2-CE2 4.38Å; W111-F230 AromaticContact CZ2-CE2 3.88Å; W111-F230 HydrophobicContact CZ2-CE2 3.88Å; W111-F230 HydrophobicContact CZ2-CZ 4.29Å; I125-F230 HydrophobicContact CD1-CZ 3.89Å; I125-F230 HydrophobicContact CG1-CE1 4.15Å; I125-F230 HydrophobicContact CG1-CZ 4.01Å; S226-F230 VanDerWaalsContact O-CB 3.31Å; S226-F230 WeakPolarHBondContact O-CB 3.27Å; S226-F230 PolarHBondContact O-N 2.9Å; A227-F230 WeakPolarHBondContact O-CB 3.27Å; A227-F230 PolarHBondContact O-N 3.49Å; F230-R232 VanDerWaalsContact C-N 3.32Å; F230-R232 PolarHBondContact O-N 2.97Å; F230-E233 PolarHBondContact O-N 3.21Å; F230-E233 VanDerWaalsContact O-N 3.13Å; F230-L234 HydrophobicContact CE1-CD2 4.4Å; F230-L234 WeakPolarHBondContact O-CB 3.19Å; F230-L234 PolarHBondContact O-N 2.72Å |
| 231 | L | 91.2 | Very high | 86.1 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.9 | -42.8 | 177.8 | 179 | 61.1 | 0 | 0 | 0 | 111.7 | L128 I132 A213 F217 I220 W223 A227 S228 E233 L234 I235 | L128-L231 HydrophobicContact CD1-CD1 4.43Å; I132-L231 HydrophobicContact CD1-CD1 4.12Å; A213-L231 HydrophobicContact CB-CD2 4Å; A213-L231 HydrophobicContact CB-CG 4.29Å; F217-L231 HydrophobicContact CD2-CD2 3.53Å; F217-L231 HydrophobicContact CE2-CD1 4.16Å; F217-L231 HydrophobicContact CE2-CD2 3.71Å; F217-L231 HydrophobicContact CG-CD2 4.25Å; I220-L231 HydrophobicContact CD1-CD2 3.73Å; W223-L231 HydrophobicContact CH2-CD2 4.13Å; W223-L231 HydrophobicContact CZ3-CB 4.45Å; W223-L231 HydrophobicContact CZ3-CD2 3.68Å; A227-L231 PolarHBondContact O-N 2.92Å; S228-L231 PolarHBondContact O-N 3.23Å; L231-E233 VanDerWaalsContact C-N 3.34Å; L231-E233 PolarHBondContact O-N 3.41Å; L231-L234 HydrophobicContact CD1-CD2 4.33Å; L231-L234 WeakPolarHBondContact O-CB 3.43Å; L231-L234 PolarHBondContact O-N 3.36Å; L231-I235 HydrophobicContact CD1-CD1 4.09Å; L231-I235 HydrophobicContact CD1-CG1 4.32Å; L231-I235 HydrophobicContact CG-CD1 4.09Å; L231-I235 WeakPolarHBondContact O-CG1 3.07Å; L231-I235 PolarHBondContact O-N 3.35Å |
| 232 | R | 92.6 | Very high | 86.5 | Confident | 77 Ų | 77 | 42.2 Ų | 42.2 | 29% | 0.291 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.3 | -45.3 | 174.6 | -175.3 | -169.3 | 68.4 | -172 | -1.8 | 111.7 | A209 S210 S228 R229 F230 I235 A236 | A209-R232 HydrophobicContact CB-CG 3.85Å; A209-R232 VanDerWaalsContact CB-O 3.3Å; A209-R232 WeakPolarHBondContact CB-O 3.25Å; S210-R232 WeakPolarHBondContact OG-CD 3.42Å; S228-R232 PolarHBondContact O-N 3.5Å; R229-R232 PolarHBondContact O-N 2.85Å; F230-R232 VanDerWaalsContact C-N 3.32Å; F230-R232 PolarHBondContact O-N 2.97Å; R232-I235 PolarHBondContact O-N 3.41Å; R232-A236 VanDerWaalsContact O-CB 3.27Å; R232-A236 WeakPolarHBondContact O-CB 3.45Å; R232-A236 PolarHBondContact O-N 3.39Å |
| 233 | E | 91.1 | Very high | 86.6 | Confident | 54 Ų | 54 | 36.2 Ų | 36.2 | 25% | 0.252 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -70.2 | -35.7 | -179 | -149.5 | 69.9 | -179.4 | 0 | 0 | 111.4 | R206 R229 F230 L231 A236 F237 | R206-E233 IonicContact CZ-OE1 2.74Å; R206-E233 IonicContact CZ-OE2 3.93Å; R206-E233 IonicContact NE-OE1 3.58Å; R206-E233 PolarHBondContact NE-OE1 3.49Å; R206-E233 IonicContact NE-OE2 3.8Å; R206-E233 PolarHBondContact NE-OE2 3.47Å; R206-E233 IonicContact NH2-OE1 3.17Å; R206-E233 PolarHBondContact NH2-OE1 3.28Å; R206-E233 IonicContact NH2-OE2 3.26Å; R229-E233 WeakPolarHBondContact O-CB 3.4Å; R229-E233 PolarHBondContact O-N 3.28Å; F230-E233 PolarHBondContact O-N 3.21Å; F230-E233 VanDerWaalsContact O-N 3.13Å; L231-E233 VanDerWaalsContact C-N 3.34Å; L231-E233 PolarHBondContact O-N 3.41Å; E233-A236 PolarHBondContact O-N 2.71Å; E233-F237 HydrophobicContact CB-CD2 4.38Å; E233-F237 HydrophobicContact CG-CD2 3.55Å; E233-F237 HydrophobicContact CG-CE2 4.03Å; E233-F237 WeakPolarHBondContact O-CB 3.28Å; E233-F237 WeakPolarHBondContact O-CD2 3.13Å; E233-F237 PolarHBondContact O-N 3.32Å; E233-F237 WeakPolarHBondContact OE1-CD2 3.41Å; E233-F237 WeakPolarHBondContact OE1-CE2 3.25Å; E233-F237 VanDerWaalsContact OE2-CE2 3.29Å; E233-F237 WeakPolarHBondContact OE2-CE2 3.4Å |
| 234 | L | 90.5 | Very high | 86.6 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | I | π-helix | trans | -59.6 | -49 | 172.2 | 174.5 | 66 | 0 | 0 | 0 | 111.4 | F107 I125 I129 F230 L231 G238 L239 | F107-L234 HydrophobicContact CD1-CD1 3.55Å; F107-L234 HydrophobicContact CD2-CD1 4.47Å; F107-L234 HydrophobicContact CE1-CB 4.29Å; F107-L234 HydrophobicContact CE1-CD1 3.63Å; F107-L234 HydrophobicContact CG-CD1 3.99Å; F107-L234 HydrophobicContact CZ-CB 4.12Å; F107-L234 HydrophobicContact CZ-CD1 4.13Å; I125-L234 HydrophobicContact CG2-CD1 3.94Å; I125-L234 HydrophobicContact CG2-CD2 4Å; I129-L234 HydrophobicContact CD1-CD1 4.41Å; I129-L234 HydrophobicContact CG1-CD2 4.3Å; F230-L234 HydrophobicContact CE1-CD2 4.4Å; F230-L234 WeakPolarHBondContact O-CB 3.19Å; F230-L234 PolarHBondContact O-N 2.72Å; L231-L234 HydrophobicContact CD1-CD2 4.33Å; L231-L234 WeakPolarHBondContact O-CB 3.43Å; L231-L234 PolarHBondContact O-N 3.36Å; L234-G238 CarbonylContact O-C 3.42Å; L234-G238 WeakPolarHBondContact O-CA 3.49Å; L234-G238 PolarHBondContact O-N 3.31Å; L234-L239 PolarHBondContact O-N 3.48Å; L234-L239 VanDerWaalsContact O-N 3.17Å |
| 235 | I | 88.4 | Confident | 86.8 | Confident | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | I | π-helix | trans | -66.2 | -48.5 | 178.4 | -64.3 | 166.5 | 0 | 0 | 0 | 110.3 | I132 A209 L212 A213 L231 R232 L239 L240 | I132-I235 HydrophobicContact CD1-CD1 3.85Å; I132-I235 HydrophobicContact CD1-CG1 3.7Å; A209-I235 HydrophobicContact CB-CB 3.8Å; A209-I235 HydrophobicContact CB-CG2 3.72Å; L212-I235 HydrophobicContact CB-CD1 4.42Å; L212-I235 HydrophobicContact CB-CG2 4.46Å; L212-I235 HydrophobicContact CD1-CG2 3.89Å; A213-I235 HydrophobicContact CB-CD1 4.04Å; L231-I235 HydrophobicContact CD1-CD1 4.09Å; L231-I235 HydrophobicContact CD1-CG1 4.32Å; L231-I235 HydrophobicContact CG-CD1 4.09Å; L231-I235 WeakPolarHBondContact O-CG1 3.07Å; L231-I235 PolarHBondContact O-N 3.35Å; R232-I235 PolarHBondContact O-N 3.41Å; I235-L239 PolarHBondContact O-N 2.71Å; I235-L240 HydrophobicContact CG2-CD1 3.89Å; I235-L240 HydrophobicContact CG2-CG 4.11Å; I235-L240 WeakPolarHBondContact O-CB 3.49Å; I235-L240 WeakPolarHBondContact O-CG 3.34Å; I235-L240 PolarHBondContact O-N 3.21Å |
| 236 | A | 88.9 | Confident | 86.7 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | I | π-helix | trans | -65.1 | -46.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L205 R206 A209 R232 E233 L241 | L205-A236 HydrophobicContact CB-CB 4.19Å; R206-A236 HydrophobicContact CG-CB 4.24Å; A209-A236 HydrophobicContact CB-CB 3.82Å; R232-A236 VanDerWaalsContact O-CB 3.27Å; R232-A236 WeakPolarHBondContact O-CB 3.45Å; R232-A236 PolarHBondContact O-N 3.39Å; E233-A236 PolarHBondContact O-N 2.71Å; A236-L241 WeakPolarHBondContact O-CB 3.42Å; A236-L241 PolarHBondContact O-N 3.01Å |
| 237 | F | 89.2 | Confident | 86.4 | Confident | 36 Ų | 36 | 27 Ų | 27 | 16% | 0.158 | 13% | 0.132 | C | C | . | . | I | π-helix | trans | -111 | -26.2 | -169.4 | -57.6 | -73.8 | 0 | 0 | 0 | 114 | F202 R206 E233 L241 P242 | F202-F237 HydrophobicContact CB-CE1 4.03Å; F202-F237 HydrophobicContact CB-CZ 3.9Å; F202-F237 HydrophobicContact CD1-CD1 4.48Å; F202-F237 AromaticContact CD1-CE1 3.51Å; F202-F237 HydrophobicContact CD1-CE1 3.51Å; F202-F237 HydrophobicContact CD1-CZ 4.27Å; F202-F237 HydrophobicContact CD2-CE1 4.48Å; F202-F237 AromaticContact CE1-CE1 3.98Å; F202-F237 HydrophobicContact CE1-CE1 3.98Å; F202-F237 AromaticContact CG-CE1 3.76Å; F202-F237 HydrophobicContact CG-CE1 3.76Å; F202-F237 HydrophobicContact CG-CZ 4.11Å; R206-F237 HydrophobicContact CG-CE2 3.86Å; R206-F237 HydrophobicContact CG-CZ 4.11Å; E233-F237 HydrophobicContact CB-CD2 4.38Å; E233-F237 HydrophobicContact CG-CD2 3.55Å; E233-F237 HydrophobicContact CG-CE2 4.03Å; E233-F237 WeakPolarHBondContact O-CB 3.28Å; E233-F237 WeakPolarHBondContact O-CD2 3.13Å; E233-F237 PolarHBondContact O-N 3.32Å; E233-F237 WeakPolarHBondContact OE1-CD2 3.41Å; E233-F237 WeakPolarHBondContact OE1-CE2 3.25Å; E233-F237 VanDerWaalsContact OE2-CE2 3.29Å; E233-F237 WeakPolarHBondContact OE2-CE2 3.4Å; F237-L241 HydrophobicContact CD1-CB 4.37Å; F237-L241 HydrophobicContact CD1-CD2 3.76Å; F237-L241 HydrophobicContact CE1-CD2 4.39Å; F237-P242 WeakPolarHBondContact O-CD 3.38Å |
| 238 | G | 84.9 | Confident | 86.3 | Confident | 3 Ų | 3 | 25.3 Ų | 25.3 | 3% | 0.031 | 12% | 0.118 | C | C | . | . | I | π-helix | trans | -78.6 | -36.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L234 | L234-G238 CarbonylContact O-C 3.42Å; L234-G238 WeakPolarHBondContact O-CA 3.49Å; L234-G238 PolarHBondContact O-N 3.31Å |
| 239 | L | 86.8 | Confident | 86 | Confident | 15 Ų | 15 | 24.6 Ų | 24.6 | 8% | 0.079 | 11% | 0.111 | C | C | . | . | I | π-helix | trans | -112.8 | -60.9 | -175 | -56.4 | 178.8 | 0 | 0 | 0 | 113.2 | L100 C103 I129 L234 I235 P242 L243 | L100-L239 HydrophobicContact CD2-CD2 4.15Å; C103-L239 HydrophobicContact CB-CD2 4.13Å; I129-L239 HydrophobicContact CD1-CD2 4.27Å; I129-L239 HydrophobicContact CG1-CD1 4.32Å; L234-L239 PolarHBondContact O-N 3.48Å; L234-L239 VanDerWaalsContact O-N 3.17Å; I235-L239 PolarHBondContact O-N 2.71Å; L239-P242 WeakPolarHBondContact O-CD 3.26Å; L239-L243 WeakPolarHBondContact O-CD1 3.42Å; L239-L243 WeakPolarHBondContact O-CG 3.3Å; L239-L243 PolarHBondContact O-N 3.07Å |
| 240 | L | 86.4 | Confident | 85.8 | Confident | 6 Ų | 6 | 19.5 Ų | 19.5 | 3% | 0.031 | 9% | 0.094 | C | C | . | . | I | π-helix | trans | -68.9 | -49 | -169.2 | -66 | 176.5 | 0 | 0 | 0 | 112.2 | M1 L205 V208 L212 I235 L243 M244 | M1-L240 HydrophobicContact CE-CD2 4.07Å; L205-L240 HydrophobicContact CD2-CB 4Å; L205-L240 HydrophobicContact CD2-CD1 4.34Å; V208-L240 HydrophobicContact CB-CD1 4.37Å; V208-L240 HydrophobicContact CG1-CD1 3.84Å; L212-L240 HydrophobicContact CD1-CD1 4.26Å; I235-L240 HydrophobicContact CG2-CD1 3.89Å; I235-L240 HydrophobicContact CG2-CG 4.11Å; I235-L240 WeakPolarHBondContact O-CB 3.49Å; I235-L240 WeakPolarHBondContact O-CG 3.34Å; I235-L240 PolarHBondContact O-N 3.21Å; L240-L243 PolarHBondContact O-N 3.25Å; L240-L243 VanDerWaalsContact O-N 3.16Å; L240-M244 VanDerWaalsContact O-CG 3.3Å; L240-M244 WeakPolarHBondContact O-CG 3.35Å; L240-M244 PolarHBondContact O-N 2.96Å |
| 241 | L | 86.6 | Confident | 85.4 | Confident | 13 Ų | 13 | 16.8 Ų | 16.8 | 7% | 0.068 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -58.2 | -50.8 | -176.3 | -179.1 | 66.4 | 0 | 0 | 0 | 113.2 | F202 L205 A236 F237 L243 M244 D245 | F202-L241 HydrophobicContact CE1-CD1 4.39Å; F202-L241 HydrophobicContact CE1-CD2 3.96Å; L205-L241 HydrophobicContact CD1-CB 3.87Å; L205-L241 HydrophobicContact CD1-CD1 3.73Å; L205-L241 HydrophobicContact CD1-CG 4.42Å; A236-L241 WeakPolarHBondContact O-CB 3.42Å; A236-L241 PolarHBondContact O-N 3.01Å; F237-L241 HydrophobicContact CD1-CB 4.37Å; F237-L241 HydrophobicContact CD1-CD2 3.76Å; F237-L241 HydrophobicContact CE1-CD2 4.39Å; L241-L243 PolarHBondContact O-N 3.4Å; L241-M244 PolarHBondContact O-N 3.04Å; L241-D245 PolarHBondContact O-N 3.38Å |
| 242 | P | 84.2 | Confident | 84.8 | Confident | 25 Ų | 25 | 16.8 Ų | 16.8 | 16% | 0.162 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -58.6 | -38.9 | 176.9 | -23.9 | 34 | 0 | 0 | 0 | 112 | F237 L239 T246 V813 | F237-P242 WeakPolarHBondContact O-CD 3.38Å; L239-P242 WeakPolarHBondContact O-CD 3.26Å; P242-T246 WeakPolarHBondContact O-CB 3.47Å; P242-T246 VanDerWaalsContact O-CG2 3.25Å; P242-T246 WeakPolarHBondContact O-CG2 3.5Å; P242-T246 PolarHBondContact O-N 3.1Å; P242-T246 PolarHBondContact O-OG1 3.06Å; P242-V813 HydrophobicContact CB-CG2 4.49Å |
| 243 | L | 82.4 | Confident | 84.4 | Confident | 23 Ų | 23 | 13.4 Ų | 13.4 | 12% | 0.12 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -70 | -39.4 | 179.1 | -61.9 | 163.4 | 0 | 0 | 0 | 111.9 | I2 L99 L239 L240 L241 T246 M247 | I2-L243 HydrophobicContact CB-CB 4.44Å; I2-L243 HydrophobicContact CB-CD2 4.42Å; I2-L243 HydrophobicContact CD1-CB 3.16Å; I2-L243 HydrophobicContact CD1-CD1 3.64Å; I2-L243 HydrophobicContact CD1-CD2 4.45Å; I2-L243 HydrophobicContact CD1-CG 3.9Å; I2-L243 HydrophobicContact CG1-CB 4.3Å; I2-L243 HydrophobicContact CG2-CB 4.23Å; I2-L243 HydrophobicContact CG2-CD2 4.33Å; L99-L243 HydrophobicContact CD2-CD2 4.19Å; L239-L243 WeakPolarHBondContact O-CD1 3.42Å; L239-L243 WeakPolarHBondContact O-CG 3.3Å; L239-L243 PolarHBondContact O-N 3.07Å; L240-L243 PolarHBondContact O-N 3.25Å; L240-L243 VanDerWaalsContact O-N 3.16Å; L241-L243 PolarHBondContact O-N 3.4Å; L243-T246 WeakPolarHBondContact CA-OG1 3.35Å; L243-T246 PolarHBondContact O-N 3.16Å; L243-T246 PolarHBondContact O-OG1 3.44Å; L243-M247 WeakPolarHBondContact O-CB 3.21Å; L243-M247 WeakPolarHBondContact O-CG 3.31Å; L243-M247 PolarHBondContact O-N 3.12Å |
| 244 | M | 82.3 | Confident | 84 | Confident | 2 Ų | 2 | 10.9 Ų | 10.9 | 1% | 0.01 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -66.6 | -40.8 | 176.4 | -67.4 | -49.2 | -67.9 | 0 | 0 | 112.4 | L205 L240 L241 M247 A248 S879 Y880 L883 | L205-M244 HydrophobicContact CD2-CG 4.31Å; L240-M244 VanDerWaalsContact O-CG 3.3Å; L240-M244 WeakPolarHBondContact O-CG 3.35Å; L240-M244 PolarHBondContact O-N 2.96Å; L241-M244 PolarHBondContact O-N 3.04Å; M244-M247 PolarHBondContact O-N 3.31Å; M244-M247 HydrophobicContact SD-SD 4Å; M244-A248 PolarHBondContact O-N 3.36Å; M244-S879 VanDerWaalsContact CE-OG 3.3Å; M244-S879 WeakPolarHBondContact CE-OG 3.08Å; M244-Y880 HydrophobicContact CE-CD1 3.78Å; M244-Y880 HydrophobicContact CE-CD2 4.17Å; M244-Y880 HydrophobicContact CE-CE1 3.76Å; M244-Y880 HydrophobicContact CE-CE2 4.16Å; M244-Y880 HydrophobicContact CE-CG 3.96Å; M244-Y880 HydrophobicContact CG-CE1 4.24Å; M244-L883 HydrophobicContact CE-CB 4.34Å; M244-L883 HydrophobicContact CE-CD2 4.11Å; M244-L883 HydrophobicContact SD-CD2 3.95Å |
| 245 | D | 84.2 | Confident | 83.6 | Confident | 27 Ų | 27 | 13.9 Ų | 13.9 | 14% | 0.144 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -67.5 | -36.3 | 176.6 | -76.9 | -18.4 | 0 | 0 | 0 | 111 | R198 L241 A248 N249 F724 K876 | R198-D245 IonicContact CZ-OD1 3Å; R198-D245 IonicContact CZ-OD2 3.67Å; R198-D245 IonicContact NH1-OD1 3.6Å; R198-D245 PolarHBondContact NH1-OD1 3.27Å; R198-D245 IonicContact NH1-OD2 3.61Å; R198-D245 PolarHBondContact NH1-OD2 3.22Å; R198-D245 IonicContact NH2-OD1 3.31Å; R198-D245 IonicContact NH2-OD2 3.53Å; R198-D245 PolarHBondContact NH2-OD2 2.9Å; L241-D245 PolarHBondContact O-N 3.38Å; D245-A248 PolarHBondContact O-N 3.25Å; D245-N249 PolarHBondContact O-N 3.03Å; D245-F724 HydrophobicContact CB-CD2 4.29Å; D245-F724 HydrophobicContact CB-CE2 3.81Å; D245-F724 WeakPolarHBondContact O-CE2 3.41Å; D245-F724 WeakPolarHBondContact OD1-CD2 3.38Å; D245-K876 IonicContact OD1-NZ 3.9Å; D245-K876 PolarHBondContact OD1-NZ 3.14Å |
| 246 | T | 79.6 | Confident | 83 | Confident | 2 Ų | 2 | 14 Ų | 14 | 1% | 0.012 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -71.8 | -36.1 | 174.3 | 54.3 | 0 | 0 | 0 | 0 | 113.8 | P242 L243 A248 N249 C252 V812 V813 | P242-T246 WeakPolarHBondContact O-CB 3.47Å; P242-T246 VanDerWaalsContact O-CG2 3.25Å; P242-T246 WeakPolarHBondContact O-CG2 3.5Å; P242-T246 PolarHBondContact O-N 3.1Å; P242-T246 PolarHBondContact O-OG1 3.06Å; L243-T246 WeakPolarHBondContact CA-OG1 3.35Å; L243-T246 PolarHBondContact O-N 3.16Å; L243-T246 PolarHBondContact O-OG1 3.44Å; T246-A248 PolarHBondContact O-N 2.89Å; T246-N249 VanDerWaalsContact O-CB 3.28Å; T246-N249 WeakPolarHBondContact O-CB 3.45Å; T246-N249 PolarHBondContact O-N 2.51Å; T246-N249 VanDerWaalsContact O-N 3.14Å; T246-C252 VanDerWaalsContact O-CB 3.25Å; T246-C252 WeakPolarHBondContact O-CB 3.42Å; T246-V812 HydrophobicContact CG2-CB 4.01Å; T246-V812 HydrophobicContact CG2-CG1 3.59Å; T246-V813 HydrophobicContact CG2-CB 4.23Å; T246-V813 HydrophobicContact CG2-CG2 3.4Å; T246-V813 VanDerWaalsContact CG2-CG2 3.4Å |
| 247 | M | 75.2 | Confident | 82.5 | Confident | 12 Ų | 12 | 14.2 Ų | 14.2 | 6% | 0.059 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62 | -32.5 | 174.3 | -74.9 | 178.1 | 74.3 | 0 | 0 | 112.8 | I2 C5 V6 L243 M244 N249 | I2-M247 HydrophobicContact CB-SD 4.23Å; I2-M247 HydrophobicContact CD1-SD 4.08Å; I2-M247 HydrophobicContact CG1-SD 3.89Å; I2-M247 HydrophobicContact CG2-CG 3.43Å; I2-M247 VanDerWaalsContact CG2-CG 3.43Å; I2-M247 HydrophobicContact CG2-SD 3.45Å; I2-M247 WeakPolarHBondContact CG2-SD 3.35Å; C5-M247 HydrophobicContact CB-CE 4.14Å; V6-M247 HydrophobicContact CG2-CE 4.37Å; V6-M247 HydrophobicContact CG2-CG 3.92Å; L243-M247 WeakPolarHBondContact O-CB 3.21Å; L243-M247 WeakPolarHBondContact O-CG 3.31Å; L243-M247 PolarHBondContact O-N 3.12Å; M244-M247 PolarHBondContact O-N 3.31Å; M244-M247 HydrophobicContact SD-SD 4Å; M247-N249 VanDerWaalsContact C-N 3.34Å |
| 248 | A | 82 | Confident | 82 | Confident | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -82.2 | -13.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | M244 D245 T246 T250 F724 N875 K876 | M244-A248 PolarHBondContact O-N 3.36Å; D245-A248 PolarHBondContact O-N 3.25Å; T246-A248 PolarHBondContact O-N 2.89Å; A248-T250 PolarHBondContact O-N 3.49Å; A248-F724 HydrophobicContact CB-CE1 3.63Å; A248-F724 HydrophobicContact CB-CE2 4.37Å; A248-F724 HydrophobicContact CB-CZ 3.41Å; A248-F724 VanDerWaalsContact CB-CZ 3.41Å; A248-N875 HydrophobicContact CB-CB 4.38Å; A248-N875 PolarHBondContact O-ND2 3.35Å; A248-K876 HydrophobicContact CB-CB 3.65Å; A248-K876 HydrophobicContact CB-CD 4.44Å; A248-K876 HydrophobicContact CB-CG 4.12Å |
| 249 | N | 80.9 | Confident | 81.4 | Confident | 23 Ų | 23 | 13.4 Ų | 13.4 | 12% | 0.123 | 7% | 0.072 | C | C | . | . | trans | -71.1 | 126.7 | -176.8 | -174.5 | -62.7 | 0 | 0 | 0 | 111.4 | D245 T246 M247 N251 C252 L253 V812 | D245-N249 PolarHBondContact O-N 3.03Å; T246-N249 VanDerWaalsContact O-CB 3.28Å; T246-N249 WeakPolarHBondContact O-CB 3.45Å; T246-N249 PolarHBondContact O-N 2.51Å; T246-N249 VanDerWaalsContact O-N 3.14Å; M247-N249 VanDerWaalsContact C-N 3.34Å; N249-N251 PolarHBondContact O-N 2.98Å; N249-N251 WeakPolarHBondContact OD1-CA 3.18Å; N249-N251 VanDerWaalsContact OD1-CB 3.31Å; N249-N251 WeakPolarHBondContact OD1-CB 3.22Å; N249-N251 PolarHBondContact OD1-N 2.95Å; N249-C252 HydrophobicContact CB-CB 4.06Å; N249-C252 WeakPolarHBondContact O-CB 3.38Å; N249-C252 PolarHBondContact O-N 3.34Å; N249-C252 PolarHBondContact OD1-N 3.41Å; N249-L253 WeakPolarHBondContact O-CG 3.17Å; N249-L253 PolarHBondContact O-N 3.36Å; N249-L253 VanDerWaalsContact O-N 3.07Å; N249-V812 HydrophobicContact CB-CG1 4.01Å | ||
| 250 | T | 83.9 | Confident | 80.6 | Confident | 18 Ų | 18 | 13.4 Ų | 13.4 | 11% | 0.11 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61.4 | -39.5 | -178.1 | 50.6 | 0 | 0 | 0 | 0 | 112.7 | A248 L253 N254 P872 | A248-T250 PolarHBondContact O-N 3.49Å; T250-L253 PolarHBondContact O-N 3.27Å; T250-N254 WeakPolarHBondContact O-CB 3.32Å; T250-N254 PolarHBondContact O-N 3.29Å; T250-N254 PolarHBondContact O-ND2 2.82Å; T250-P872 HydrophobicContact CG2-CB 4.29Å |
| 251 | N | 82.6 | Confident | 79.9 | Confident | 12 Ų | 12 | 13.9 Ų | 13.9 | 6% | 0.064 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -67.2 | -39.5 | 177 | -67.7 | -33.1 | 0 | 0 | 0 | 112.1 | N249 L253 N254 R255 M822 D827 L830 | N249-N251 PolarHBondContact O-N 2.98Å; N249-N251 WeakPolarHBondContact OD1-CA 3.18Å; N249-N251 VanDerWaalsContact OD1-CB 3.31Å; N249-N251 WeakPolarHBondContact OD1-CB 3.22Å; N249-N251 PolarHBondContact OD1-N 2.95Å; N251-L253 VanDerWaalsContact C-N 3.33Å; N251-N254 PolarHBondContact O-N 2.92Å; N251-R255 WeakPolarHBondContact O-CB 3.35Å; N251-R255 WeakPolarHBondContact O-CG 3.42Å; N251-R255 PolarHBondContact O-N 2.91Å; N251-M822 WeakPolarHBondContact ND2-CE 3.42Å; N251-D827 PolarHBondContact ND2-OD1 3.16Å; N251-D827 PolarHBondContact ND2-OD2 3.15Å; N251-D827 PolarHBondContact OD1-OD1 3.49Å; N251-L830 HydrophobicContact CB-CD2 4.14Å |
| 252 | C | 78.6 | Confident | 79.2 | Confident | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.007 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -57.8 | -51 | 173.7 | -167.4 | 0 | 0 | 0 | 0 | 110 | T246 N249 N254 R255 V256 V812 | T246-C252 VanDerWaalsContact O-CB 3.25Å; T246-C252 WeakPolarHBondContact O-CB 3.42Å; N249-C252 HydrophobicContact CB-CB 4.06Å; N249-C252 WeakPolarHBondContact O-CB 3.38Å; N249-C252 PolarHBondContact O-N 3.34Å; N249-C252 PolarHBondContact OD1-N 3.41Å; C252-N254 PolarHBondContact O-N 3.16Å; C252-R255 PolarHBondContact O-N 3.29Å; C252-V256 WeakPolarHBondContact O-CG2 3.42Å; C252-V256 PolarHBondContact O-N 2.72Å; C252-V812 HydrophobicContact CB-CB 4.38Å; C252-V812 HydrophobicContact CB-CG1 4.16Å; C252-V812 HydrophobicContact CB-CG2 3.77Å |
| 253 | L | 83.2 | Confident | 78.1 | Confident | 6 Ų | 6 | 19.7 Ų | 19.7 | 3% | 0.031 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.9 | -47.4 | 178.5 | -66.6 | 176 | 0 | 0 | 0 | 111.5 | F10 N249 T250 N251 R255 V256 V257 L869 N875 | F10-L253 HydrophobicContact CE2-CD2 3.61Å; F10-L253 HydrophobicContact CZ-CB 3.85Å; F10-L253 HydrophobicContact CZ-CD2 3.53Å; F10-L253 HydrophobicContact CZ-CG 4.29Å; F10-L253 WeakPolarHBondContact CZ-O 3.47Å; N249-L253 WeakPolarHBondContact O-CG 3.17Å; N249-L253 PolarHBondContact O-N 3.36Å; N249-L253 VanDerWaalsContact O-N 3.07Å; T250-L253 PolarHBondContact O-N 3.27Å; N251-L253 VanDerWaalsContact C-N 3.33Å; L253-R255 PolarHBondContact O-N 3.48Å; L253-V256 PolarHBondContact O-N 3.47Å; L253-V257 WeakPolarHBondContact O-CG2 3.41Å; L253-V257 PolarHBondContact O-N 2.79Å; L253-L869 HydrophobicContact CD1-CD2 4.38Å; L253-N875 HydrophobicContact CD1-CB 3.99Å; L253-N875 VanDerWaalsContact CD1-CG 3.44Å; L253-N875 WeakPolarHBondContact CD1-ND2 3.32Å |
| 254 | N | 84.4 | Confident | 77 | Confident | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.5 | -42.9 | 179.5 | -68.7 | -22.4 | 0 | 0 | 0 | 112.2 | T250 N251 C252 V256 V257 C258 L830 A834 Q870 | T250-N254 WeakPolarHBondContact O-CB 3.32Å; T250-N254 PolarHBondContact O-N 3.29Å; T250-N254 PolarHBondContact O-ND2 2.82Å; N251-N254 PolarHBondContact O-N 2.92Å; C252-N254 PolarHBondContact O-N 3.16Å; N254-V256 VanDerWaalsContact C-N 3.35Å; N254-V256 PolarHBondContact O-N 2.77Å; N254-V257 PolarHBondContact O-N 3.19Å; N254-C258 PolarHBondContact O-N 3.31Å; N254-C258 PolarHBondContact O-SG 2.8Å; N254-L830 HydrophobicContact CB-CD2 4.21Å; N254-L830 HydrophobicContact CB-CG 3.97Å; N254-A834 HydrophobicContact CB-CB 3.96Å; N254-Q870 PolarHBondContact ND2-NE2 2.79Å; N254-Q870 PolarHBondContact ND2-OE1 2.65Å; N254-Q870 VanDerWaalsContact ND2-OE1 3.12Å; N254-Q870 PolarHBondContact OD1-NE2 2.74Å |
| 255 | R | 82 | Confident | 75.9 | Confident | 65 Ų | 65 | 25.3 Ų | 25.3 | 25% | 0.245 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.6 | -41.6 | 175.1 | -71.7 | -175.5 | -172 | -176.9 | 5.5 | 111.8 | N251 C252 L253 C258 G259 L808 E811 L830 | N251-R255 WeakPolarHBondContact O-CB 3.35Å; N251-R255 WeakPolarHBondContact O-CG 3.42Å; N251-R255 PolarHBondContact O-N 2.91Å; C252-R255 PolarHBondContact O-N 3.29Å; L253-R255 PolarHBondContact O-N 3.48Å; R255-C258 PolarHBondContact O-N 2.91Å; R255-G259 PolarHBondContact O-N 2.83Å; R255-L808 HydrophobicContact CB-CD1 4.16Å; R255-L808 HydrophobicContact CB-CD2 3.9Å; R255-L808 HydrophobicContact CG-CD2 4.41Å; R255-E811 IonicContact CZ-OE2 2.66Å; R255-E811 IonicContact NH1-OE2 3.44Å; R255-E811 PolarHBondContact NH1-OE2 2.97Å; R255-L830 HydrophobicContact CG-CD1 4.33Å; R255-L830 HydrophobicContact CG-CD2 3.83Å |
| 256 | V | 76 | Confident | 74.9 | Confident | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.018 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.7 | -40.6 | 179 | 177.9 | 0 | 0 | 0 | 0 | 111.2 | V6 F10 C252 L253 N254 C258 G259 L260 L808 | V6-V256 HydrophobicContact CG1-CB 4.15Å; V6-V256 HydrophobicContact CG1-CG1 3.64Å; V6-V256 HydrophobicContact CG1-CG2 3.74Å; F10-V256 HydrophobicContact CD2-CB 3.85Å; F10-V256 HydrophobicContact CD2-CG1 3.13Å; F10-V256 HydrophobicContact CE2-CB 3.48Å; F10-V256 VanDerWaalsContact CE2-CB 3.48Å; F10-V256 HydrophobicContact CE2-CG1 3.35Å; F10-V256 HydrophobicContact CE2-CG2 4.38Å; F10-V256 HydrophobicContact CG-CG1 3.85Å; F10-V256 HydrophobicContact CZ-CB 4.11Å; F10-V256 HydrophobicContact CZ-CG1 4.25Å; C252-V256 WeakPolarHBondContact O-CG2 3.42Å; C252-V256 PolarHBondContact O-N 2.72Å; L253-V256 PolarHBondContact O-N 3.47Å; N254-V256 VanDerWaalsContact C-N 3.35Å; N254-V256 PolarHBondContact O-N 2.77Å; V256-C258 VanDerWaalsContact C-N 3.34Å; V256-C258 PolarHBondContact O-N 3.48Å; V256-G259 PolarHBondContact O-N 3.12Å; V256-L260 HydrophobicContact CG1-CD1 3.53Å; V256-L260 HydrophobicContact CG1-CG 4.17Å; V256-L260 WeakPolarHBondContact O-CB 3.37Å; V256-L260 WeakPolarHBondContact O-CG 3.23Å; V256-L260 PolarHBondContact O-N 3.3Å; V256-L808 HydrophobicContact CG2-CD1 3.84Å |
| 257 | V | 76.6 | Confident | 74.3 | Confident | 5 Ų | 5 | 33.8 Ų | 33.8 | 3% | 0.03 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -52.4 | -55 | 170.3 | 170 | 0 | 0 | 0 | 0 | 109.6 | F10 L253 N254 G259 L260 L261 I838 L869 | F10-V257 HydrophobicContact CD1-CG2 3.82Å; F10-V257 HydrophobicContact CE1-CB 4.22Å; F10-V257 HydrophobicContact CE1-CG2 3.09Å; F10-V257 HydrophobicContact CZ-CG2 3.76Å; L253-V257 WeakPolarHBondContact O-CG2 3.41Å; L253-V257 PolarHBondContact O-N 2.79Å; N254-V257 PolarHBondContact O-N 3.19Å; V257-G259 VanDerWaalsContact C-N 3.3Å; V257-G259 PolarHBondContact O-N 2.76Å; V257-L260 PolarHBondContact O-N 3.06Å; V257-L261 HydrophobicContact CG1-CD1 3.56Å; V257-L261 HydrophobicContact CG1-CG 4.15Å; V257-L261 WeakPolarHBondContact O-CB 3.12Å; V257-L261 VanDerWaalsContact O-CG 3.27Å; V257-L261 WeakPolarHBondContact O-CG 3.45Å; V257-L261 PolarHBondContact O-N 3.19Å; V257-I838 HydrophobicContact CG1-CD1 3.92Å; V257-I838 HydrophobicContact CG1-CG1 3.6Å; V257-L869 HydrophobicContact CG2-CD1 4.49Å |
| 258 | C | 79.5 | Confident | 74.2 | Confident | 15 Ų | 15 | 35.1 Ų | 35.1 | 10% | 0.101 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.1 | -44 | -179 | -70.1 | 0 | 0 | 0 | 0 | 111.7 | N254 R255 V256 L260 T262 Y833 | N254-C258 PolarHBondContact O-N 3.31Å; N254-C258 PolarHBondContact O-SG 2.8Å; R255-C258 PolarHBondContact O-N 2.91Å; V256-C258 VanDerWaalsContact C-N 3.34Å; V256-C258 PolarHBondContact O-N 3.48Å; C258-L260 PolarHBondContact O-N 3.47Å; C258-T262 PolarHBondContact O-N 3.3Å; C258-T262 VanDerWaalsContact O-N 3.11Å; C258-T262 PolarHBondContact O-OG1 3.32Å; C258-Y833 HydrophobicContact CB-CE1 4.16Å; C258-Y833 WeakPolarHBondContact SG-CD1 3.37Å |
| 259 | G | 73.2 | Confident | 73.7 | Confident | 8 Ų | 8 | 40.2 Ų | 40.2 | 8% | 0.082 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.6 | -35 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | R255 V256 V257 Q801 | R255-G259 PolarHBondContact O-N 2.83Å; V256-G259 PolarHBondContact O-N 3.12Å; V257-G259 VanDerWaalsContact C-N 3.3Å; V257-G259 PolarHBondContact O-N 2.76Å; G259-Q801 PolarHBondContact O-NE2 3.49Å; G259-Q801 VanDerWaalsContact O-NE2 3.12Å |
| 260 | L | 69.8 | Low | 73.2 | Confident | 14 Ų | 14 | 43.9 Ų | 43.9 | 7% | 0.073 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -85 | -26.6 | -179.9 | -71.6 | 168.5 | 0 | 0 | 0 | 113.8 | F10 V256 V257 C258 T262 W796 Q801 | F10-L260 HydrophobicContact CB-CD1 3.05Å; F10-L260 HydrophobicContact CD1-CD1 4.44Å; F10-L260 HydrophobicContact CD2-CD1 4.07Å; F10-L260 HydrophobicContact CG-CD1 3.62Å; V256-L260 HydrophobicContact CG1-CD1 3.53Å; V256-L260 HydrophobicContact CG1-CG 4.17Å; V256-L260 WeakPolarHBondContact O-CB 3.37Å; V256-L260 WeakPolarHBondContact O-CG 3.23Å; V256-L260 PolarHBondContact O-N 3.3Å; V257-L260 PolarHBondContact O-N 3.06Å; C258-L260 PolarHBondContact O-N 3.47Å; L260-T262 VanDerWaalsContact C-N 3.32Å; L260-W796 HydrophobicContact CD2-CB 4.48Å; L260-W796 HydrophobicContact CD2-CD2 4.43Å; L260-W796 HydrophobicContact CD2-CG 3.99Å; L260-Q801 HydrophobicContact CD2-CG 4.18Å |
| 261 | L | 71.9 | Confident | 72.7 | Confident | 17 Ų | 17 | 46.1 Ų | 46.1 | 9% | 0.089 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -87 | -5 | 174.4 | -62.1 | -175.4 | 0 | 0 | 0 | 113 | V257 I838 F841 | V257-L261 HydrophobicContact CG1-CD1 3.56Å; V257-L261 HydrophobicContact CG1-CG 4.15Å; V257-L261 WeakPolarHBondContact O-CB 3.12Å; V257-L261 VanDerWaalsContact O-CG 3.27Å; V257-L261 WeakPolarHBondContact O-CG 3.45Å; V257-L261 PolarHBondContact O-N 3.19Å; L261-I838 HydrophobicContact CD1-CB 4.15Å; L261-I838 HydrophobicContact CD1-CG1 3.6Å; L261-F841 HydrophobicContact CB-CB 4.38Å; L261-F841 HydrophobicContact CB-CD2 4.33Å; L261-F841 HydrophobicContact CB-CG 4.33Å; L261-F841 HydrophobicContact CD1-CB 4.37Å; L261-F841 HydrophobicContact CD2-CB 4.39Å; L261-F841 HydrophobicContact CD2-CD1 3.67Å; L261-F841 HydrophobicContact CD2-CD2 4.09Å; L261-F841 HydrophobicContact CD2-CE1 3.94Å; L261-F841 HydrophobicContact CD2-CE2 4.31Å; L261-F841 HydrophobicContact CD2-CG 3.76Å; L261-F841 HydrophobicContact CD2-CZ 4.24Å; L261-F841 HydrophobicContact CG-CG 4.45Å |
| 262 | T | 70 | Confident | 72.4 | Confident | 63 Ų | 63 | 52.6 Ų | 52.6 | 39% | 0.387 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -62.2 | 124.5 | 169.1 | -54.8 | 0 | 0 | 0 | 0 | 107.1 | C258 L260 D264 | C258-T262 PolarHBondContact O-N 3.3Å; C258-T262 VanDerWaalsContact O-N 3.11Å; C258-T262 PolarHBondContact O-OG1 3.32Å; L260-T262 VanDerWaalsContact C-N 3.32Å; T262-D264 PolarHBondContact O-N 2.82Å |
| 263 | P | 61.1 | Low | 72.5 | Confident | 96 Ų | 96 | 55.6 Ų | 55.6 | 62% | 0.623 | 33% | 0.325 | S | S | * | . | trans | -54.4 | 141.7 | -179.3 | 21.7 | -32.5 | 0 | 0 | 0 | 109.7 | A265 | P263-A265 VanDerWaalsContact C-N 3.3Å; P263-A265 PolarHBondContact O-N 3.39Å | ||
| 264 | D | 59.4 | Low | 72.3 | Confident | 101 Ų | 101 | 59.7 Ų | 59.7 | 54% | 0.54 | 35% | 0.347 | S | S | . | . | trans | -33.4 | 93.3 | -172.5 | -68.4 | -51.2 | 0 | 0 | 0 | 109.5 | T262 D266 K792 S795 | T262-D264 PolarHBondContact O-N 2.82Å; D264-D266 PolarHBondContact O-N 3.46Å; D264-K792 IonicContact OD1-NZ 2.75Å; D264-K792 PolarHBondContact OD1-NZ 2.82Å; D264-K792 IonicContact OD2-NZ 3.56Å; D264-K792 PolarHBondContact OD2-NZ 3.36Å; D264-K792 VanDerWaalsContact OD2-NZ 3.16Å; D264-S795 PolarHBondContact OD1-OG 3.21Å | ||
| 265 | A | 60.6 | Low | 72.3 | Confident | 43 Ų | 43 | 62 Ų | 62 | 36% | 0.355 | 36% | 0.358 | S | S | . | . | trans | -61.1 | 137.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 105 | P263 Y267 | P263-A265 VanDerWaalsContact C-N 3.3Å; P263-A265 PolarHBondContact O-N 3.39Å; A265-Y267 HydrophobicContact CB-CD1 4.46Å; A265-Y267 HydrophobicContact CB-CD2 4.49Å; A265-Y267 HydrophobicContact CB-CE1 4.09Å; A265-Y267 HydrophobicContact CB-CE2 4.08Å; A265-Y267 WeakPolarHBondContact O-CD2 3.48Å; A265-Y267 WeakPolarHBondContact O-CE2 3.31Å; A265-Y267 PolarHBondContact O-N 3.39Å | ||
| 266 | D | 62.2 | Low | 72.5 | Confident | 169 Ų | 169 | 62.5 Ų | 62.5 | 90% | 0.904 | 36% | 0.364 | S | S | * | . | trans | -65.2 | 87.9 | 171.9 | -110.2 | -25.4 | 0 | 0 | 0 | 107.1 | D264 G268 | D264-D266 PolarHBondContact O-N 3.46Å; D266-G268 PolarHBondContact O-N 2.87Å | ||
| 267 | Y | 67.9 | Low | 72.9 | Confident | 38 Ų | 38 | 62.5 Ų | 62.5 | 15% | 0.149 | 36% | 0.364 | C | S | . | . | trans | -68.4 | -2.6 | 177.9 | -65.7 | -73.3 | 0 | 0 | 0 | 110.7 | A265 H798 K800 Q801 | A265-Y267 HydrophobicContact CB-CD1 4.46Å; A265-Y267 HydrophobicContact CB-CD2 4.49Å; A265-Y267 HydrophobicContact CB-CE1 4.09Å; A265-Y267 HydrophobicContact CB-CE2 4.08Å; A265-Y267 WeakPolarHBondContact O-CD2 3.48Å; A265-Y267 WeakPolarHBondContact O-CE2 3.31Å; A265-Y267 PolarHBondContact O-N 3.39Å; Y267-H798 VanDerWaalsContact CB-CD2 3.41Å; Y267-H798 WeakPolarHBondContact CB-CD2 3.49Å; Y267-H798 AromaticContact CG-CD2 3.93Å; Y267-K800 HydrophobicContact CD1-CB 3.64Å; Y267-K800 HydrophobicContact CD1-CD 4.22Å; Y267-K800 HydrophobicContact CE1-CB 4.26Å; Y267-K800 HydrophobicContact CG-CB 4.44Å; Y267-K800 WeakPolarHBondContact O-CD 3.41Å; Y267-K800 WeakPolarHBondContact O-CE 3.19Å; Y267-K800 PolarHBondContact O-NZ 3.49Å; Y267-Q801 HydrophobicContact CE1-CB 4.41Å; Y267-Q801 VanDerWaalsContact OH-CD 3.31Å; Y267-Q801 PolarHBondContact OH-OE1 3.35Å | ||
| 268 | G | 72 | Confident | 73.3 | Confident | 39 Ų | 39 | 62.3 Ų | 62.3 | 40% | 0.402 | 36% | 0.362 | S | S | . | . | trans | 72.5 | -168.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D266 | D266-G268 PolarHBondContact O-N 2.87Š| ||
| 269 | P | 72.2 | Confident | 73.4 | Confident | 108 Ų | 108 | 65.2 Ų | 65.2 | 70% | 0.701 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -63.3 | 150.1 | 175.6 | 27.3 | -33.7 | 0 | 0 | 0 | 111 | E271 | P269-E271 PolarHBondContact O-N 3.31Š|
| 270 | P | 70.7 | Confident | 73.9 | Confident | 99 Ų | 99 | 67.2 Ų | 67.2 | 64% | 0.643 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 131.2 | 173.9 | 23.4 | -32 | 0 | 0 | 0 | 110.3 | ||
| 271 | E | 73.6 | Confident | 74.6 | Confident | 66 Ų | 66 | 66.7 Ų | 66.7 | 31% | 0.308 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 140.7 | 175.8 | -71.5 | 175.9 | -169.4 | 0 | 0 | 110.6 | P89 S91 P269 K800 | P89-E271 HydrophobicContact CB-CB 3.97Å; S91-E271 VanDerWaalsContact CB-OE2 3.29Å; S91-E271 WeakPolarHBondContact CB-OE2 3.24Å; S91-E271 PolarHBondContact N-OE2 2.76Å; S91-E271 PolarHBondContact OG-OE2 3.39Å; P269-E271 PolarHBondContact O-N 3.31Å; E271-K800 WeakPolarHBondContact OE1-CE 3.33Å |
| 272 | H | 74.9 | Confident | 75 | Confident | 147 Ų | 147 | 66.9 Ų | 66.9 | 68% | 0.681 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -70.7 | 134.8 | 173.7 | -64 | -66 | 0 | 0 | 0 | 110.7 | D274 | H272-D274 VanDerWaalsContact C-N 3.34Å; H272-D274 WeakPolarHBondContact CB-OD1 3.11Å; H272-D274 PolarHBondContact O-N 3.49Å; H272-D274 VanDerWaalsContact O-N 3.08Å |
| 273 | S | 80.9 | Confident | 75 | Confident | 64 Ų | 64 | 67.6 Ų | 67.6 | 45% | 0.448 | 40% | 0.399 | S | S | . | . | trans | -79.7 | 80 | 175.9 | 52.9 | 0 | 0 | 0 | 0 | 110.3 | R87 | R87-S273 WeakPolarHBondContact CB-O 3.37Š| ||
| 274 | D | 79.8 | Confident | 74.9 | Confident | 93 Ų | 93 | 72.3 Ų | 72.3 | 50% | 0.497 | 41% | 0.413 | S | S | . | . | trans | -103.2 | -15.5 | -172.6 | -63 | -22.8 | 0 | 0 | 0 | 114 | H272 | H272-D274 VanDerWaalsContact C-N 3.34Å; H272-D274 WeakPolarHBondContact CB-OD1 3.11Å; H272-D274 PolarHBondContact O-N 3.49Å; H272-D274 VanDerWaalsContact O-N 3.08Å | ||
| 275 | I | 84.3 | Confident | 74.6 | Confident | 48 Ų | 48 | 75.4 Ų | 75.4 | 25% | 0.246 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 138.3 | -172.7 | -57.7 | -171.5 | 0 | 0 | 0 | 110.4 | R87 V88 R90 | R87-I275 CarbonylContact C-O 3.59Å; R87-I275 WeakPolarHBondContact CA-O 3.42Å; V88-I275 PolarHBondContact N-O 2.89Å; R90-I275 HydrophobicContact CB-CD1 4Å; R90-I275 HydrophobicContact CG-CD1 3.39Å; R90-I275 HydrophobicContact CG-CG1 3.89Å |
| 276 | E | 85.8 | Confident | 74.2 | Confident | 76 Ų | 76 | 77.5 Ų | 77.5 | 36% | 0.355 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 134 | 170.6 | -69.7 | -174.9 | -172.6 | 0 | 0 | 111.5 | V85 R130 L278 D279 | V85-E276 HydrophobicContact CB-CB 4.37Å; V85-E276 HydrophobicContact CB-CG 4.45Å; V85-E276 HydrophobicContact CG1-CB 3.9Å; V85-E276 HydrophobicContact CG1-CG 4.49Å; R130-E276 IonicContact NH2-OE2 3.72Å; E276-L278 PolarHBondContact O-N 3.43Å; E276-L278 VanDerWaalsContact O-N 3.14Å; E276-D279 HydrophobicContact CB-CB 4.06Å; E276-D279 WeakPolarHBondContact O-CB 2.99Å; E276-D279 PolarHBondContact O-N 3.34Å; E276-D279 VanDerWaalsContact O-N 3.16Å |
| 277 | L | 84 | Confident | 73.6 | Confident | 4 Ų | 4 | 73.3 Ų | 73.3 | 2% | 0.021 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 121 | -177 | -178.7 | 60.5 | 0 | 0 | 0 | 112.1 | V85 P86 V88 L96 R130 V133 V134 Y137 D279 | V85-L277 HydrophobicContact CG1-CB 4.08Å; P86-L277 HydrophobicContact CG-CB 3.99Å; P86-L277 HydrophobicContact CG-CD2 3.73Å; P86-L277 WeakPolarHBondContact O-CB 3.38Å; P86-L277 PolarHBondContact O-N 2.97Å; V88-L277 HydrophobicContact CG2-CB 4.3Å; V88-L277 HydrophobicContact CG2-CD1 4.07Å; L96-L277 HydrophobicContact CD2-CD1 3.88Å; R130-L277 PolarHBondContact NE-O 3.1Å; V133-L277 HydrophobicContact CG1-CD2 4.09Å; V134-L277 HydrophobicContact CG2-CD2 4.05Å; V134-L277 HydrophobicContact CG2-CG 4.45Å; Y137-L277 HydrophobicContact CD2-CD2 4.28Å; Y137-L277 HydrophobicContact CG-CD2 4.2Å; L277-D279 PolarHBondContact O-N 2.96Å |
| 278 | L | 85.5 | Confident | 72.9 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 35 | 177.8 | -63.6 | 173.7 | 0 | 0 | 0 | 113.4 | D93 L96 Q97 L100 R130 V133 E276 F281 | D93-L278 WeakPolarHBondContact OD1-CA 3.41Å; D93-L278 PolarHBondContact OD1-N 3.26Å; L96-L278 HydrophobicContact CB-CD2 4.27Å; L96-L278 HydrophobicContact CD2-CD1 4.19Å; L96-L278 HydrophobicContact CD2-CD2 4.14Å; L96-L278 HydrophobicContact CD2-CG 4.2Å; L96-L278 HydrophobicContact CG-CD2 4.03Å; Q97-L278 HydrophobicContact CB-CD2 4Å; L100-L278 HydrophobicContact CD1-CD1 3.38Å; L100-L278 HydrophobicContact CD1-CD2 3.96Å; L100-L278 HydrophobicContact CD1-CG 4.32Å; R130-L278 WeakPolarHBondContact CD-O 3.24Å; R130-L278 HydrophobicContact CG-CB 4.08Å; R130-L278 PolarHBondContact NE-O 3.3Å; V133-L278 HydrophobicContact CB-CD1 3.93Å; V133-L278 HydrophobicContact CG1-CD1 3.75Å; V133-L278 HydrophobicContact CG2-CD1 4.17Å; E276-L278 PolarHBondContact O-N 3.43Å; E276-L278 VanDerWaalsContact O-N 3.14Å; L278-F281 HydrophobicContact CB-CB 3.88Å; L278-F281 HydrophobicContact CB-CD1 4.48Å; L278-F281 HydrophobicContact CD2-CB 4.15Å; L278-F281 HydrophobicContact CD2-CG 4.47Å; L278-F281 WeakPolarHBondContact O-CB 3.41Å; L278-F281 PolarHBondContact O-N 2.83Å |
| 279 | D | 82.6 | Confident | 72.1 | Confident | 76 Ų | 76 | 75.2 Ų | 75.2 | 41% | 0.406 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -63.5 | -48.9 | 178.6 | -162.1 | 45.5 | 0 | 0 | 0 | 112.1 | R130 E276 L277 F281 C282 | R130-D279 IonicContact CZ-OD1 3.62Å; R130-D279 IonicContact NH1-OD1 2.94Å; R130-D279 PolarHBondContact NH1-OD1 3.48Å; R130-D279 VanDerWaalsContact NH1-OD1 3.15Å; R130-D279 IonicContact NH2-OD1 2.75Å; R130-D279 PolarHBondContact NH2-OD1 2.83Å; E276-D279 HydrophobicContact CB-CB 4.06Å; E276-D279 WeakPolarHBondContact O-CB 2.99Å; E276-D279 PolarHBondContact O-N 3.34Å; E276-D279 VanDerWaalsContact O-N 3.16Å; L277-D279 PolarHBondContact O-N 2.96Å; D279-F281 PolarHBondContact O-N 3.45Å; D279-F281 VanDerWaalsContact O-N 3.13Å; D279-C282 PolarHBondContact O-N 3.45Å |
| 280 | G | 83 | Confident | 71.5 | Confident | 51 Ų | 51 | 72.9 Ų | 72.9 | 53% | 0.526 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -72 | -0.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q97 | Q97-G280 PolarHBondContact NE2-O 3.04Š|
| 281 | F | 84.1 | Confident | 71.1 | Confident | 3 Ų | 3 | 71.6 Ų | 71.6 | 1% | 0.013 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -82.1 | -29.3 | 177.6 | 179.4 | -120.6 | 0 | 0 | 0 | 112.2 | Q97 L100 D101 V104 R126 I129 R130 L278 D279 | Q97-F281 HydrophobicContact CG-CB 4.19Å; Q97-F281 HydrophobicContact CG-CD2 4.06Å; L100-F281 HydrophobicContact CB-CD2 4.48Å; L100-F281 HydrophobicContact CB-CE1 4.46Å; L100-F281 HydrophobicContact CB-CE2 3.73Å; L100-F281 HydrophobicContact CB-CZ 3.71Å; D101-F281 WeakPolarHBondContact OD1-CD2 3.45Å; D101-F281 WeakPolarHBondContact OD1-CE2 3.44Å; V104-F281 HydrophobicContact CG2-CZ 4Å; R126-F281 HydrophobicContact CB-CD1 3.9Å; R126-F281 HydrophobicContact CB-CE1 3.53Å; R126-F281 HydrophobicContact CB-CZ 3.89Å; R126-F281 WeakPolarHBondContact CD-O 3.46Å; R126-F281 HydrophobicContact CG-CD1 4.37Å; R126-F281 HydrophobicContact CG-CE1 3.82Å; R126-F281 HydrophobicContact CG-CE2 3.97Å; R126-F281 HydrophobicContact CG-CZ 3.6Å; R126-F281 WeakPolarHBondContact O-CE1 3.43Å; I129-F281 HydrophobicContact CB-CE1 4.08Å; I129-F281 HydrophobicContact CG2-CE1 3.98Å; I129-F281 HydrophobicContact CG2-CZ 4.3Å; R130-F281 HydrophobicContact CB-CD1 4.47Å; L278-F281 HydrophobicContact CB-CB 3.88Å; L278-F281 HydrophobicContact CB-CD1 4.48Å; L278-F281 HydrophobicContact CD2-CB 4.15Å; L278-F281 HydrophobicContact CD2-CG 4.47Å; L278-F281 WeakPolarHBondContact O-CB 3.41Å; L278-F281 PolarHBondContact O-N 2.83Å; D279-F281 PolarHBondContact O-N 3.45Å; D279-F281 VanDerWaalsContact O-N 3.13Å |
| 282 | C | 80.7 | Confident | 70.8 | Confident | 20 Ų | 20 | 70.8 Ų | 70.8 | 14% | 0.135 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -91 | 134.9 | 175.3 | -59.9 | 0 | 0 | 0 | 0 | 108.9 | R127 R130 D279 E284 | R127-C282 HydrophobicContact CG-CB 4.5Å; R130-C282 VanDerWaalsContact CD-SG 3.56Å; D279-C282 PolarHBondContact O-N 3.45Å; C282-E284 PolarHBondContact O-N 2.93Å |
| 283 | D | 70.6 | Confident | 70.7 | Confident | 78 Ų | 78 | 65.7 Ų | 65.7 | 42% | 0.417 | 36% | 0.363 | S | S | . | . | trans | -69.9 | 132.1 | 174 | -66.1 | -53.5 | 0 | 0 | 0 | 108.8 | N123 R126 R285 | N123-D283 PolarHBondContact ND2-O 3.49Å; N123-D283 PolarHBondContact OD1-N 3.03Å; R126-D283 IonicContact NH1-OD2 3.37Å; R126-D283 PolarHBondContact NH1-OD2 3.09Å; D283-R285 PolarHBondContact O-N 2.89Å; D283-R285 VanDerWaalsContact O-N 3.12Å | ||
| 284 | E | 57.2 | Low | 70.7 | Confident | 196 Ų | 196 | 64.4 Ų | 64.4 | 92% | 0.916 | 35% | 0.354 | S | S | * | . | trans | -63.5 | -13.6 | 177.1 | -70.7 | -175.6 | 173.7 | 0 | 0 | 113.2 | C282 | C282-E284 PolarHBondContact O-N 2.93Š| ||
| 285 | R | 54.5 | Low | 70.8 | Confident | 166 Ų | 166 | 60 Ų | 60 | 63% | 0.626 | 33% | 0.331 | S | S | * | . | trans | -61.4 | 128.7 | -178.8 | -67.3 | -170.8 | -176.6 | 174.5 | 3 | 109.8 | D283 D287 | D283-R285 PolarHBondContact O-N 2.89Å; D283-R285 VanDerWaalsContact O-N 3.12Å; R285-D287 HydrophobicContact CB-CB 4.41Å; R285-D287 PolarHBondContact O-N 3.03Å; R285-D287 VanDerWaalsContact O-N 3.11Å | ||
| 286 | P | 51.3 | Low | 70.8 | Confident | 86 Ų | 86 | 60.7 Ų | 60.7 | 56% | 0.558 | 34% | 0.335 | S | S | * | . | trans | -71.1 | -1.5 | 178.1 | 31.2 | -35.3 | 0 | 0 | 0 | 112.7 | G288 S292 | P286-G288 PolarHBondContact O-N 3.35Å; P286-S292 PolarHBondContact O-OG 2.82Å; P286-S292 VanDerWaalsContact O-OG 3.13Å | ||
| 287 | D | 50 | Low | 70.7 | Confident | 81 Ų | 81 | 61.5 Ų | 61.5 | 43% | 0.433 | 34% | 0.339 | S | S | . | . | trans | -61.6 | 64.8 | 172.7 | -50.1 | -20.6 | 0 | 0 | 0 | 111.4 | A120 R285 | A120-D287 WeakPolarHBondContact CA-O 3.3Å; A120-D287 VanDerWaalsContact CB-O 3.3Å; A120-D287 WeakPolarHBondContact CB-O 3.49Å; R285-D287 HydrophobicContact CB-CB 4.41Å; R285-D287 PolarHBondContact O-N 3.03Å; R285-D287 VanDerWaalsContact O-N 3.11Å | ||
| 288 | G | 54.1 | Low | 70.7 | Confident | 17 Ų | 17 | 61.3 Ų | 61.3 | 18% | 0.175 | 34% | 0.338 | C | S | . | . | trans | -61 | 172 | 157.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | P286 L290 | P286-G288 PolarHBondContact O-N 3.35Å; G288-L290 PolarHBondContact O-N 3.49Å; G288-L290 VanDerWaalsContact O-N 3.08Å | ||
| 289 | L | 55.1 | Low | 70.7 | Confident | 101 Ų | 101 | 62.4 Ų | 62.4 | 53% | 0.529 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -59 | -20.4 | 171.3 | -75.7 | 166.2 | 0 | 0 | 0 | 113.1 | A120 V121 E124 | A120-L289 HydrophobicContact CB-CD2 4.03Å; A120-L289 HydrophobicContact CB-CG 4.31Å; V121-L289 HydrophobicContact CB-CD2 4.18Å; V121-L289 HydrophobicContact CG2-CD1 4.32Å; V121-L289 HydrophobicContact CG2-CD2 3.33Å; V121-L289 HydrophobicContact CG2-CG 4.29Å; E124-L289 HydrophobicContact CB-CD1 4.32Å |
| 290 | L | 59.3 | Low | 70.8 | Confident | 59 Ų | 59 | 63.2 Ų | 63.2 | 31% | 0.309 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -95.8 | 137.2 | -179.6 | -54 | -179.7 | 0 | 0 | 0 | 108.8 | G288 S292 Y429 | G288-L290 PolarHBondContact O-N 3.49Å; G288-L290 VanDerWaalsContact O-N 3.08Å; L290-S292 PolarHBondContact O-N 3.45Å; L290-Y429 VanDerWaalsContact CD1-OH 3.22Å; L290-Y429 WeakPolarHBondContact CD1-OH 3.31Å; L290-Y429 HydrophobicContact CD2-CE1 3.77Å; L290-Y429 WeakPolarHBondContact CD2-OH 3.43Å |
| 291 | P | 61.6 | Low | 70.9 | Confident | 71 Ų | 71 | 64.1 Ų | 64.1 | 46% | 0.461 | 35% | 0.348 | S | S | . | . | trans | -54.2 | 109.1 | 167 | -20 | 31.3 | 0 | 0 | 0 | 108.3 | F428 L432 | P291-F428 HydrophobicContact CB-CE1 4.29Å; P291-F428 HydrophobicContact CB-CZ 4.1Å; P291-F428 WeakPolarHBondContact O-CE1 3.32Å; P291-F428 WeakPolarHBondContact O-CZ 3.42Å; P291-L432 HydrophobicContact CG-CD1 3.86Å | ||
| 292 | S | 66.9 | Low | 71.1 | Confident | 50 Ų | 50 | 70.5 Ų | 70.5 | 35% | 0.35 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -86.1 | 121.4 | 174.8 | 61.9 | 0 | 0 | 0 | 0 | 107.8 | P286 L290 | P286-S292 PolarHBondContact O-OG 2.82Å; P286-S292 VanDerWaalsContact O-OG 3.13Å; L290-S292 PolarHBondContact O-N 3.45Å |
| 293 | L | 72.6 | Confident | 71.3 | Confident | 39 Ų | 39 | 72.6 Ų | 72.6 | 20% | 0.204 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -89.6 | 140.8 | 167.5 | -64.7 | 176.9 | 0 | 0 | 0 | 109.5 | E297 I298 V419 F428 | L293-E297 WeakPolarHBondContact CA-OE2 3.39Å; L293-E297 HydrophobicContact CB-CB 4.35Å; L293-E297 HydrophobicContact CD2-CB 4.13Å; L293-I298 HydrophobicContact CB-CD1 4.03Å; L293-I298 HydrophobicContact CB-CG1 3.6Å; L293-I298 HydrophobicContact CD1-CG1 3.89Å; L293-I298 HydrophobicContact CG-CG1 4.43Å; L293-V419 WeakPolarHBondContact O-CG1 3.38Å; L293-F428 HydrophobicContact CD1-CD2 4.41Å; L293-F428 HydrophobicContact CD1-CE2 3.55Å; L293-F428 HydrophobicContact CD1-CZ 4.29Å; L293-F428 HydrophobicContact CG-CE2 3.95Å; L293-F428 HydrophobicContact CG-CZ 4.19Å |
| 294 | S | 81 | Confident | 72.1 | Confident | 37 Ų | 37 | 69.2 Ų | 69.2 | 26% | 0.259 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 155.3 | 163.1 | 61.3 | 0 | 0 | 0 | 0 | 110.4 | D296 E297 I298 | S294-D296 PolarHBondContact O-N 2.82Å; S294-E297 PolarHBondContact N-OE2 3.25Å; S294-E297 PolarHBondContact O-N 3.42Å; S294-E297 VanDerWaalsContact O-N 3.1Å; S294-E297 VanDerWaalsContact OG-CD 3.26Å; S294-E297 VanDerWaalsContact OG-CG 3.24Å; S294-E297 WeakPolarHBondContact OG-CG 3.04Å; S294-E297 PolarHBondContact OG-N 2.9Å; S294-E297 PolarHBondContact OG-OE2 3.46Å; S294-E297 VanDerWaalsContact OG-OE2 3.06Å; S294-I298 WeakPolarHBondContact O-CG1 3.34Å; S294-I298 PolarHBondContact O-N 3.21Å |
| 295 | L | 83.2 | Confident | 73.6 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -56.3 | -34.1 | 174.6 | -176.5 | 60.8 | 0 | 0 | 0 | 111.3 | I298 L299 F308 L325 Y411 L414 V419 | L295-I298 PolarHBondContact O-N 3.5Å; L295-L299 HydrophobicContact CD1-CD1 4.2Å; L295-L299 HydrophobicContact CD1-CD2 4.46Å; L295-L299 HydrophobicContact CD1-CG 4.06Å; L295-L299 HydrophobicContact CD2-CD1 4.47Å; L295-L299 HydrophobicContact CG-CD1 3.84Å; L295-L299 HydrophobicContact CG-CG 4.15Å; L295-L299 WeakPolarHBondContact O-CB 3.37Å; L295-L299 WeakPolarHBondContact O-CG 3.04Å; L295-L299 PolarHBondContact O-N 2.89Å; L295-F308 HydrophobicContact CD1-CE1 4.04Å; L295-F308 HydrophobicContact CD1-CZ 4.29Å; L295-L325 HydrophobicContact CD2-CD1 4.29Å; L295-Y411 HydrophobicContact CB-CE2 4.05Å; L295-Y411 HydrophobicContact CD2-CD2 3.73Å; L295-Y411 HydrophobicContact CD2-CE2 3.88Å; L295-Y411 HydrophobicContact CD2-CG 4.16Å; L295-Y411 HydrophobicContact CG-CD2 4.45Å; L295-Y411 HydrophobicContact CG-CE2 4.15Å; L295-L414 HydrophobicContact CD2-CB 3.78Å; L295-L414 HydrophobicContact CD2-CD1 4.4Å; L295-V419 HydrophobicContact CB-CG2 4.05Å; L295-V419 HydrophobicContact CD1-CG2 4.12Å |
| 296 | D | 83.8 | Confident | 75.2 | Confident | 62 Ų | 62 | 59.4 Ų | 59.4 | 33% | 0.332 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.9 | -39.2 | 176.7 | -71.4 | -50.5 | 0 | 0 | 0 | 113.6 | S294 L299 S300 R329 Y411 | S294-D296 PolarHBondContact O-N 2.82Å; D296-L299 PolarHBondContact O-N 3.37Å; D296-S300 VanDerWaalsContact O-CB 3.27Å; D296-S300 WeakPolarHBondContact O-CB 3.49Å; D296-S300 PolarHBondContact O-N 3.23Å; D296-S300 PolarHBondContact O-OG 2.88Å; D296-R329 IonicContact OD1-NH1 3.73Å; D296-Y411 PolarHBondContact OD2-OH 2.92Å |
| 297 | E | 84.3 | Confident | 76.9 | Confident | 93 Ų | 93 | 56 Ų | 56 | 44% | 0.435 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 172.7 | -72.8 | 163.1 | 162.1 | 0 | 0 | 110.9 | L293 S294 L299 S300 D301 | L293-E297 WeakPolarHBondContact CA-OE2 3.39Å; L293-E297 HydrophobicContact CB-CB 4.35Å; L293-E297 HydrophobicContact CD2-CB 4.13Å; S294-E297 PolarHBondContact N-OE2 3.25Å; S294-E297 PolarHBondContact O-N 3.42Å; S294-E297 VanDerWaalsContact O-N 3.1Å; S294-E297 VanDerWaalsContact OG-CD 3.26Å; S294-E297 VanDerWaalsContact OG-CG 3.24Å; S294-E297 WeakPolarHBondContact OG-CG 3.04Å; S294-E297 PolarHBondContact OG-N 2.9Å; S294-E297 PolarHBondContact OG-OE2 3.46Å; S294-E297 VanDerWaalsContact OG-OE2 3.06Å; E297-L299 VanDerWaalsContact C-N 3.35Å; E297-L299 PolarHBondContact O-N 3.45Å; E297-S300 WeakPolarHBondContact CA-OG 3.36Å; E297-S300 PolarHBondContact O-N 3.01Å; E297-S300 PolarHBondContact O-OG 3.45Å; E297-S300 VanDerWaalsContact O-OG 3.04Å; E297-D301 WeakPolarHBondContact O-CB 3.37Å; E297-D301 PolarHBondContact O-N 2.84Å; E297-D301 VanDerWaalsContact O-N 3.08Å |
| 298 | I | 84 | Confident | 78.8 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.7 | -42.4 | 176.7 | -64.4 | 168.3 | 0 | 0 | 0 | 111.3 | L293 S294 L295 F305 F308 V419 F422 | L293-I298 HydrophobicContact CB-CD1 4.03Å; L293-I298 HydrophobicContact CB-CG1 3.6Å; L293-I298 HydrophobicContact CD1-CG1 3.89Å; L293-I298 HydrophobicContact CG-CG1 4.43Å; S294-I298 WeakPolarHBondContact O-CG1 3.34Å; S294-I298 PolarHBondContact O-N 3.21Å; L295-I298 PolarHBondContact O-N 3.5Å; I298-F305 WeakPolarHBondContact O-CA 3.3Å; I298-F305 WeakPolarHBondContact O-CB 3.18Å; I298-F305 PolarHBondContact O-N 3.11Å; I298-F308 HydrophobicContact CG2-CB 3.51Å; I298-F308 HydrophobicContact CG2-CD1 3.91Å; I298-F308 HydrophobicContact CG2-CD2 4.41Å; I298-F308 HydrophobicContact CG2-CG 3.71Å; I298-V419 HydrophobicContact CD1-CG1 3.95Å; I298-V419 HydrophobicContact CD1-CG2 4.23Å; I298-F422 HydrophobicContact CD1-CD1 3.72Å; I298-F422 HydrophobicContact CD1-CE1 3.91Å; I298-F422 HydrophobicContact CG1-CD1 4.47Å; I298-F422 HydrophobicContact CG1-CE1 4.16Å |
| 299 | L | 85.3 | Confident | 80.5 | Confident | 23 Ų | 23 | 53.1 Ų | 53.1 | 12% | 0.12 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -76 | -24.6 | -178.4 | -68.5 | 175.5 | 0 | 0 | 0 | 112.9 | L295 D296 E297 F305 V322 L325 L326 | L295-L299 HydrophobicContact CD1-CD1 4.2Å; L295-L299 HydrophobicContact CD1-CD2 4.46Å; L295-L299 HydrophobicContact CD1-CG 4.06Å; L295-L299 HydrophobicContact CD2-CD1 4.47Å; L295-L299 HydrophobicContact CG-CD1 3.84Å; L295-L299 HydrophobicContact CG-CG 4.15Å; L295-L299 WeakPolarHBondContact O-CB 3.37Å; L295-L299 WeakPolarHBondContact O-CG 3.04Å; L295-L299 PolarHBondContact O-N 2.89Å; D296-L299 PolarHBondContact O-N 3.37Å; E297-L299 VanDerWaalsContact C-N 3.35Å; E297-L299 PolarHBondContact O-N 3.45Å; L299-F305 HydrophobicContact CD2-CD2 3.81Å; L299-F305 HydrophobicContact CD2-CE2 3.8Å; L299-V322 HydrophobicContact CD2-CG1 4.26Å; L299-L325 HydrophobicContact CD1-CD2 3.48Å; L299-L325 VanDerWaalsContact CD1-CD2 3.48Å; L299-L326 HydrophobicContact CD2-CD2 4.33Å |
| 300 | S | 84.1 | Confident | 82 | Confident | 93 Ų | 93 | 51.1 Ų | 51.1 | 65% | 0.65 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -84.9 | -34.4 | 179.9 | 56 | 0 | 0 | 0 | 0 | 113 | D296 E297 | D296-S300 VanDerWaalsContact O-CB 3.27Å; D296-S300 WeakPolarHBondContact O-CB 3.49Å; D296-S300 PolarHBondContact O-N 3.23Å; D296-S300 PolarHBondContact O-OG 2.88Å; E297-S300 WeakPolarHBondContact CA-OG 3.36Å; E297-S300 PolarHBondContact O-N 3.01Å; E297-S300 PolarHBondContact O-OG 3.45Å; E297-S300 VanDerWaalsContact O-OG 3.04Å |
| 301 | D | 85 | Confident | 83.3 | Confident | 71 Ų | 71 | 48.6 Ų | 48.6 | 38% | 0.38 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -90.7 | 119.1 | 179.5 | -179.6 | 56 | 0 | 0 | 0 | 112 | E297 P303 S304 F305 | E297-D301 WeakPolarHBondContact O-CB 3.37Å; E297-D301 PolarHBondContact O-N 2.84Å; E297-D301 VanDerWaalsContact O-N 3.08Å; D301-P303 WeakPolarHBondContact OD1-CD 3.49Å; D301-P303 WeakPolarHBondContact OD2-CD 3.42Å; D301-P303 VanDerWaalsContact OD2-CG 3.28Å; D301-P303 WeakPolarHBondContact OD2-CG 2.85Å; D301-S304 PolarHBondContact O-N 3.12Å; D301-S304 VanDerWaalsContact OD2-CB 3.3Å; D301-S304 WeakPolarHBondContact OD2-CB 3.45Å; D301-S304 PolarHBondContact OD2-N 3.5Å; D301-S304 VanDerWaalsContact OD2-N 3.14Å; D301-S304 PolarHBondContact OD2-OG 2.72Å; D301-F305 WeakPolarHBondContact O-CB 3.21Å; D301-F305 PolarHBondContact O-N 2.96Å |
| 302 | Q | 88 | Confident | 84.6 | Confident | 136 Ų | 136 | 45.3 Ų | 45.3 | 64% | 0.636 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -58.7 | -47 | -174.3 | -174.5 | 175.4 | 10.5 | 0 | 0 | 114.4 | F305 F306 | Q302-F305 PolarHBondContact O-N 3.12Å; Q302-F306 HydrophobicContact CG-CD2 3.88Å; Q302-F306 HydrophobicContact CG-CE2 3.45Å; Q302-F306 VanDerWaalsContact CG-CE2 3.45Å; Q302-F306 HydrophobicContact CG-CZ 4.4Å; Q302-F306 WeakPolarHBondContact O-CD2 3.5Å; Q302-F306 PolarHBondContact O-N 3.41Å; Q302-F306 VanDerWaalsContact O-N 3.11Å |
| 303 | P | 86.4 | Confident | 85.6 | Confident | 64 Ų | 64 | 50.3 Ų | 50.3 | 42% | 0.416 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -68 | -38.1 | 176.9 | 24.9 | -31.7 | 0 | 0 | 0 | 112.7 | D301 F305 F306 A307 L431 | D301-P303 WeakPolarHBondContact OD1-CD 3.49Å; D301-P303 WeakPolarHBondContact OD2-CD 3.42Å; D301-P303 VanDerWaalsContact OD2-CG 3.28Å; D301-P303 WeakPolarHBondContact OD2-CG 2.85Å; P303-F305 VanDerWaalsContact C-N 3.35Å; P303-F305 PolarHBondContact O-N 3.26Å; P303-F306 PolarHBondContact O-N 3.41Å; P303-A307 PolarHBondContact O-N 2.64Å; P303-L431 HydrophobicContact CB-CD1 3.79Å; P303-L431 HydrophobicContact CG-CD1 4.45Å |
| 304 | S | 85.8 | Confident | 86.1 | Confident | 8 Ų | 8 | 51 Ų | 51 | 6% | 0.056 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.7 | -44.1 | 172.3 | -60.6 | 0 | 0 | 0 | 0 | 112.1 | D301 F306 A307 F308 | D301-S304 PolarHBondContact O-N 3.12Å; D301-S304 VanDerWaalsContact OD2-CB 3.3Å; D301-S304 WeakPolarHBondContact OD2-CB 3.45Å; D301-S304 PolarHBondContact OD2-N 3.5Å; D301-S304 VanDerWaalsContact OD2-N 3.14Å; D301-S304 PolarHBondContact OD2-OG 2.72Å; S304-F306 PolarHBondContact O-N 3.11Å; S304-A307 PolarHBondContact O-N 2.67Å; S304-F308 WeakPolarHBondContact O-CB 3.25Å; S304-F308 PolarHBondContact O-N 3.06Å |
| 305 | F | 88.6 | Confident | 86.1 | Confident | 42 Ų | 42 | 55.1 Ų | 55.1 | 18% | 0.184 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.6 | -45.1 | 176.4 | -179.5 | -105 | 0 | 0 | 0 | 112.4 | I298 L299 D301 Q302 P303 F308 M309 V322 L326 | I298-F305 WeakPolarHBondContact O-CA 3.3Å; I298-F305 WeakPolarHBondContact O-CB 3.18Å; I298-F305 PolarHBondContact O-N 3.11Å; L299-F305 HydrophobicContact CD2-CD2 3.81Å; L299-F305 HydrophobicContact CD2-CE2 3.8Å; D301-F305 WeakPolarHBondContact O-CB 3.21Å; D301-F305 PolarHBondContact O-N 2.96Å; Q302-F305 PolarHBondContact O-N 3.12Å; P303-F305 VanDerWaalsContact C-N 3.35Å; P303-F305 PolarHBondContact O-N 3.26Å; F305-F308 PolarHBondContact O-N 3.41Å; F305-M309 HydrophobicContact CD1-CG 4.24Å; F305-M309 HydrophobicContact CD2-CG 4.39Å; F305-M309 HydrophobicContact CE1-CG 3.82Å; F305-M309 HydrophobicContact CE2-CG 3.99Å; F305-M309 HydrophobicContact CE2-SD 4.28Å; F305-M309 HydrophobicContact CZ-CG 3.68Å; F305-M309 HydrophobicContact CZ-SD 4.04Å; F305-M309 WeakPolarHBondContact O-CB 3.28Å; F305-M309 VanDerWaalsContact O-CG 3.29Å; F305-M309 WeakPolarHBondContact O-CG 3.31Å; F305-M309 PolarHBondContact O-N 3.23Å; F305-V322 HydrophobicContact CE2-CG1 3.82Å; F305-V322 HydrophobicContact CZ-CG1 4.3Å; F305-L326 HydrophobicContact CE2-CD1 3.99Å; F305-L326 HydrophobicContact CZ-CD1 3.82Å |
| 306 | F | 89.2 | Confident | 85.8 | Confident | 114 Ų | 114 | 64.1 Ų | 64.1 | 50% | 0.5 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.8 | -39.4 | 178.4 | -76 | -57.6 | 0 | 0 | 0 | 112.9 | Q302 P303 S304 M309 S310 | Q302-F306 HydrophobicContact CG-CD2 3.88Å; Q302-F306 HydrophobicContact CG-CE2 3.45Å; Q302-F306 VanDerWaalsContact CG-CE2 3.45Å; Q302-F306 HydrophobicContact CG-CZ 4.4Å; Q302-F306 WeakPolarHBondContact O-CD2 3.5Å; Q302-F306 PolarHBondContact O-N 3.41Å; Q302-F306 VanDerWaalsContact O-N 3.11Å; P303-F306 PolarHBondContact O-N 3.41Å; S304-F306 PolarHBondContact O-N 3.11Å; F306-M309 PolarHBondContact O-N 2.97Å; F306-S310 WeakPolarHBondContact O-CB 3.46Å; F306-S310 PolarHBondContact O-N 2.92Å; F306-S310 PolarHBondContact O-OG 3.29Å |
| 307 | A | 86.8 | Confident | 85.4 | Confident | 14 Ų | 14 | 61.8 Ų | 61.8 | 12% | 0.116 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62 | -45.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | P303 S304 S310 F311 F422 L431 | P303-A307 PolarHBondContact O-N 2.64Å; S304-A307 PolarHBondContact O-N 2.67Å; A307-S310 PolarHBondContact O-N 2.91Å; A307-F311 WeakPolarHBondContact O-CB 3.39Å; A307-F311 PolarHBondContact O-N 2.95Å; A307-F422 HydrophobicContact CB-CE2 3.91Å; A307-F422 HydrophobicContact CB-CZ 3.91Å; A307-L431 HydrophobicContact CB-CD2 4.47Å |
| 308 | F | 89.7 | Confident | 85 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 177.3 | -175.7 | -118.7 | 0 | 0 | 0 | 112.7 | L295 I298 S304 F305 S310 F311 L312 V322 F422 | L295-F308 HydrophobicContact CD1-CE1 4.04Å; L295-F308 HydrophobicContact CD1-CZ 4.29Å; I298-F308 HydrophobicContact CG2-CB 3.51Å; I298-F308 HydrophobicContact CG2-CD1 3.91Å; I298-F308 HydrophobicContact CG2-CD2 4.41Å; I298-F308 HydrophobicContact CG2-CG 3.71Å; S304-F308 WeakPolarHBondContact O-CB 3.25Å; S304-F308 PolarHBondContact O-N 3.06Å; F305-F308 PolarHBondContact O-N 3.41Å; F308-S310 VanDerWaalsContact C-N 3.3Å; F308-S310 PolarHBondContact O-N 3.04Å; F308-F311 HydrophobicContact CD2-CD1 4.23Å; F308-F311 HydrophobicContact CE2-CD1 4.31Å; F308-F311 WeakPolarHBondContact O-CB 3.43Å; F308-F311 PolarHBondContact O-N 3.47Å; F308-L312 HydrophobicContact CD1-CD1 3.97Å; F308-L312 HydrophobicContact CD1-CG 4.45Å; F308-L312 HydrophobicContact CE1-CD1 3.53Å; F308-L312 HydrophobicContact CE1-CG 4.16Å; F308-L312 HydrophobicContact CE2-CD1 4.45Å; F308-L312 HydrophobicContact CE2-CD2 4.19Å; F308-L312 HydrophobicContact CE2-CG 4.21Å; F308-L312 HydrophobicContact CZ-CD1 3.8Å; F308-L312 HydrophobicContact CZ-CD2 4.04Å; F308-L312 HydrophobicContact CZ-CG 4.03Å; F308-L312 WeakPolarHBondContact O-CG 3.21Å; F308-L312 PolarHBondContact O-N 3.19Å; F308-V322 HydrophobicContact CE1-CG2 4.17Å; F308-F422 HydrophobicContact CB-CD2 4.34Å; F308-F422 HydrophobicContact CB-CE1 4.34Å; F308-F422 HydrophobicContact CB-CE2 4.1Å; F308-F422 HydrophobicContact CB-CZ 4.09Å; F308-F422 HydrophobicContact CD2-CB 3.75Å; F308-F422 AromaticContact CD2-CD1 3.88Å; F308-F422 HydrophobicContact CD2-CD1 3.88Å; F308-F422 AromaticContact CD2-CD2 3.89Å; F308-F422 HydrophobicContact CD2-CD2 3.89Å; F308-F422 HydrophobicContact CD2-CE1 4.45Å; F308-F422 HydrophobicContact CD2-CE2 4.47Å; F308-F422 AromaticContact CD2-CG 3.55Å; F308-F422 HydrophobicContact CD2-CG 3.55Å; F308-F422 HydrophobicContact CE2-CB 3.96Å; F308-F422 HydrophobicContact CE2-CG 4.26Å |
| 309 | M | 89.2 | Confident | 84.9 | Confident | 37 Ų | 37 | 62.5 Ų | 62.5 | 18% | 0.182 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.6 | -35.8 | 175.7 | -73.8 | -63.7 | -69 | 0 | 0 | 112.5 | F305 F306 K313 L319 V322 | F305-M309 HydrophobicContact CD1-CG 4.24Å; F305-M309 HydrophobicContact CD2-CG 4.39Å; F305-M309 HydrophobicContact CE1-CG 3.82Å; F305-M309 HydrophobicContact CE2-CG 3.99Å; F305-M309 HydrophobicContact CE2-SD 4.28Å; F305-M309 HydrophobicContact CZ-CG 3.68Å; F305-M309 HydrophobicContact CZ-SD 4.04Å; F305-M309 WeakPolarHBondContact O-CB 3.28Å; F305-M309 VanDerWaalsContact O-CG 3.29Å; F305-M309 WeakPolarHBondContact O-CG 3.31Å; F305-M309 PolarHBondContact O-N 3.23Å; F306-M309 PolarHBondContact O-N 2.97Å; M309-K313 WeakPolarHBondContact O-CB 3.26Å; M309-K313 PolarHBondContact O-N 3.06Å; M309-L319 HydrophobicContact CE-CB 4.33Å; M309-L319 HydrophobicContact CE-CD1 4.27Å; M309-L319 HydrophobicContact CE-CD2 3.8Å; M309-L319 HydrophobicContact CE-CG 4.36Å; M309-L319 HydrophobicContact SD-CD2 4.22Å; M309-V322 HydrophobicContact SD-CB 4.2Å; M309-V322 HydrophobicContact SD-CG1 3.91Å; M309-V322 HydrophobicContact SD-CG2 4.38Å |
| 310 | S | 86.5 | Confident | 84.8 | Confident | 59 Ų | 59 | 64.1 Ų | 64.1 | 41% | 0.413 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.8 | -41.9 | 175.6 | -59.3 | 0 | 0 | 0 | 0 | 111.4 | F306 A307 F308 K313 A314 | F306-S310 WeakPolarHBondContact O-CB 3.46Å; F306-S310 PolarHBondContact O-N 2.92Å; F306-S310 PolarHBondContact O-OG 3.29Å; A307-S310 PolarHBondContact O-N 2.91Å; F308-S310 VanDerWaalsContact C-N 3.3Å; F308-S310 PolarHBondContact O-N 3.04Å; S310-K313 PolarHBondContact O-N 3.22Å; S310-A314 PolarHBondContact O-N 2.98Å |
| 311 | F | 88 | Confident | 84.9 | Confident | 7 Ų | 7 | 60.7 Ų | 60.7 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.4 | -52.8 | 172.6 | 165.9 | -103.6 | 0 | 0 | 0 | 111.9 | A307 F308 K313 A314 E315 P421 F422 Y427 | A307-F311 WeakPolarHBondContact O-CB 3.39Å; A307-F311 PolarHBondContact O-N 2.95Å; F308-F311 HydrophobicContact CD2-CD1 4.23Å; F308-F311 HydrophobicContact CE2-CD1 4.31Å; F308-F311 WeakPolarHBondContact O-CB 3.43Å; F308-F311 PolarHBondContact O-N 3.47Å; F311-K313 PolarHBondContact O-N 3.36Å; F311-A314 WeakPolarHBondContact O-CA 3.43Å; F311-A314 WeakPolarHBondContact O-CB 3.2Å; F311-A314 PolarHBondContact O-N 3.44Å; F311-E315 HydrophobicContact CD2-CG 4.1Å; F311-E315 HydrophobicContact CE1-CG 4.31Å; F311-E315 HydrophobicContact CE2-CG 3.47Å; F311-E315 VanDerWaalsContact CE2-CG 3.47Å; F311-E315 HydrophobicContact CZ-CG 3.59Å; F311-E315 PolarHBondContact O-N 2.98Å; F311-P421 HydrophobicContact CE1-CB 4.37Å; F311-P421 HydrophobicContact CE2-CB 4.5Å; F311-P421 HydrophobicContact CZ-CB 3.67Å; F311-F422 HydrophobicContact CB-CD2 3.83Å; F311-F422 HydrophobicContact CB-CE2 4.41Å; F311-F422 HydrophobicContact CD1-CB 3.81Å; F311-F422 HydrophobicContact CD1-CD2 4.1Å; F311-F422 HydrophobicContact CD1-CG 4.4Å; F311-F422 HydrophobicContact CE1-CB 3.94Å; F311-F422 HydrophobicContact CG-CB 4.34Å; F311-F422 AromaticContact CG-CD2 3.96Å; F311-F422 HydrophobicContact CG-CD2 3.96Å; F311-Y427 HydrophobicContact CB-CD2 3.79Å; F311-Y427 HydrophobicContact CB-CE2 4.33Å; F311-Y427 HydrophobicContact CB-CG 4.23Å; F311-Y427 AromaticContact CD2-CD2 3.97Å; F311-Y427 HydrophobicContact CD2-CD2 3.97Å; F311-Y427 HydrophobicContact CD2-CE2 4.3Å; F311-Y427 HydrophobicContact CG-CD2 4.4Å |
| 312 | L | 87.7 | Confident | 84.9 | Confident | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.8 | -36.8 | 179 | -70.3 | -179.2 | 0 | 0 | 0 | 112.2 | F308 K316 A317 L319 V322 Y418 | F308-L312 HydrophobicContact CD1-CD1 3.97Å; F308-L312 HydrophobicContact CD1-CG 4.45Å; F308-L312 HydrophobicContact CE1-CD1 3.53Å; F308-L312 HydrophobicContact CE1-CG 4.16Å; F308-L312 HydrophobicContact CE2-CD1 4.45Å; F308-L312 HydrophobicContact CE2-CD2 4.19Å; F308-L312 HydrophobicContact CE2-CG 4.21Å; F308-L312 HydrophobicContact CZ-CD1 3.8Å; F308-L312 HydrophobicContact CZ-CD2 4.04Å; F308-L312 HydrophobicContact CZ-CG 4.03Å; F308-L312 WeakPolarHBondContact O-CG 3.21Å; F308-L312 PolarHBondContact O-N 3.19Å; L312-K316 PolarHBondContact O-N 2.76Å; L312-A317 HydrophobicContact CB-CB 4.14Å; L312-A317 HydrophobicContact CD2-CB 3.75Å; L312-A317 WeakPolarHBondContact O-CB 3.33Å; L312-A317 PolarHBondContact O-N 3.33Å; L312-L319 HydrophobicContact CB-CD2 3.58Å; L312-L319 HydrophobicContact CD1-CD2 4.29Å; L312-V322 HydrophobicContact CD1-CG2 3.54Å; L312-Y418 HydrophobicContact CD2-CD1 3.52Å; L312-Y418 HydrophobicContact CD2-CE1 4.16Å; L312-Y418 HydrophobicContact CD2-CG 3.74Å |
| 313 | K | 87.8 | Confident | 84.9 | Confident | 155 Ų | 155 | 55.3 Ų | 55.3 | 67% | 0.674 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -66.8 | -36.7 | 175.5 | -172.3 | 179.3 | 179 | -176.9 | 0 | 112.2 | M309 S310 F311 K316 | M309-K313 WeakPolarHBondContact O-CB 3.26Å; M309-K313 PolarHBondContact O-N 3.06Å; S310-K313 PolarHBondContact O-N 3.22Å; F311-K313 PolarHBondContact O-N 3.36Å; K313-K316 PolarHBondContact O-N 3.02Å |
| 314 | A | 84.5 | Confident | 85 | Confident | 52 Ų | 52 | 52.3 Ų | 52.3 | 43% | 0.43 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -69.2 | -43.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | S310 F311 K316 Y427 | S310-A314 PolarHBondContact O-N 2.98Å; F311-A314 WeakPolarHBondContact O-CA 3.43Å; F311-A314 WeakPolarHBondContact O-CB 3.2Å; F311-A314 PolarHBondContact O-N 3.44Å; A314-K316 PolarHBondContact O-N 3.11Å; A314-K316 VanDerWaalsContact O-N 3.15Å; A314-Y427 HydrophobicContact CB-CE2 4.13Å; A314-Y427 VanDerWaalsContact CB-OH 3.3Å; A314-Y427 WeakPolarHBondContact CB-OH 3.21Å |
| 315 | E | 79.3 | Confident | 85.2 | Confident | 124 Ų | 124 | 52 Ų | 52 | 58% | 0.579 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -0.5 | 175.7 | -70.9 | -59.7 | 149.1 | 0 | 0 | 113.8 | F311 A317 | F311-E315 HydrophobicContact CD2-CG 4.1Å; F311-E315 HydrophobicContact CE1-CG 4.31Å; F311-E315 HydrophobicContact CE2-CG 3.47Å; F311-E315 VanDerWaalsContact CE2-CG 3.47Å; F311-E315 HydrophobicContact CZ-CG 3.59Å; F311-E315 PolarHBondContact O-N 2.98Å; E315-A317 PolarHBondContact O-N 2.9Å |
| 316 | K | 77.8 | Confident | 85.2 | Confident | 191 Ų | 191 | 53.1 Ų | 53.1 | 83% | 0.83 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 28.3 | -173.5 | -54.9 | 175.1 | -178.3 | 170.4 | 0 | 112.8 | L312 K313 A314 | L312-K316 PolarHBondContact O-N 2.76Å; K313-K316 PolarHBondContact O-N 3.02Å; A314-K316 PolarHBondContact O-N 3.11Å; A314-K316 VanDerWaalsContact O-N 3.15Å |
| 317 | A | 76 | Confident | 85.2 | Confident | 12 Ų | 12 | 49.5 Ų | 49.5 | 10% | 0.099 | 26% | 0.262 | C | S | . | . | trans | -68.5 | 141 | 174 | 0 | 0 | 0 | 0 | 0 | 109.7 | L312 E315 L319 Y418 | L312-A317 HydrophobicContact CB-CB 4.14Å; L312-A317 HydrophobicContact CD2-CB 3.75Å; L312-A317 WeakPolarHBondContact O-CB 3.33Å; L312-A317 PolarHBondContact O-N 3.33Å; E315-A317 PolarHBondContact O-N 2.9Å; A317-L319 PolarHBondContact O-N 2.84Å; A317-Y418 HydrophobicContact CB-CD1 4.18Å; A317-Y418 HydrophobicContact CB-CE1 3.47Å; A317-Y418 VanDerWaalsContact CB-CE1 3.47Å | ||
| 318 | P | 74.3 | Confident | 85.3 | Confident | 60 Ų | 60 | 48.9 Ų | 48.9 | 39% | 0.39 | 26% | 0.257 | S | S | . | . | trans | -66.1 | 102.8 | 176.3 | 23.6 | -32.1 | 0 | 0 | 0 | 110.9 | V320 F321 | P318-V320 PolarHBondContact O-N 3.27Å; P318-F321 HydrophobicContact CB-CD2 4.13Å; P318-F321 HydrophobicContact CB-CE2 4.1Å; P318-F321 HydrophobicContact CG-CD2 3.53Å; P318-F321 HydrophobicContact CG-CE2 3.29Å; P318-F321 HydrophobicContact CG-CZ 4.45Å; P318-F321 WeakPolarHBondContact O-CD2 3.32Å; P318-F321 PolarHBondContact O-N 3.28Å | ||
| 319 | L | 82.8 | Confident | 85.3 | Confident | 49 Ų | 49 | 52.9 Ų | 52.9 | 26% | 0.257 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -16.8 | 174.9 | -59.3 | 177 | 0 | 0 | 0 | 113.5 | M309 L312 A317 F321 V322 Q323 | M309-L319 HydrophobicContact CE-CB 4.33Å; M309-L319 HydrophobicContact CE-CD1 4.27Å; M309-L319 HydrophobicContact CE-CD2 3.8Å; M309-L319 HydrophobicContact CE-CG 4.36Å; M309-L319 HydrophobicContact SD-CD2 4.22Å; L312-L319 HydrophobicContact CB-CD2 3.58Å; L312-L319 HydrophobicContact CD1-CD2 4.29Å; A317-L319 PolarHBondContact O-N 2.84Å; L319-F321 PolarHBondContact O-N 2.99Å; L319-V322 PolarHBondContact O-N 3.41Å; L319-Q323 PolarHBondContact O-N 3.44Å; L319-Q323 VanDerWaalsContact O-N 3.17Å |
| 320 | V | 82.8 | Confident | 85.3 | Confident | 56 Ų | 56 | 55.5 Ų | 55.5 | 34% | 0.339 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -54.7 | -36 | 176.2 | -175 | 0 | 0 | 0 | 0 | 111.8 | P318 Q323 F324 Y363 F372 | P318-V320 PolarHBondContact O-N 3.27Å; V320-Q323 PolarHBondContact O-N 2.95Å; V320-F324 WeakPolarHBondContact O-CB 3.45Å; V320-F324 PolarHBondContact O-N 2.79Å; V320-Y363 HydrophobicContact CG1-CD1 3.6Å; V320-Y363 HydrophobicContact CG1-CE1 4.06Å; V320-F372 HydrophobicContact CG1-CD2 4.06Å; V320-F372 HydrophobicContact CG1-CE2 4.46Å |
| 321 | F | 86.1 | Confident | 85.4 | Confident | 21 Ų | 21 | 52.8 Ų | 52.8 | 9% | 0.092 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.2 | -41.8 | 178.9 | -68.7 | -65.7 | 0 | 0 | 0 | 112.9 | P318 L319 L325 F372 C375 V410 M413 L414 | P318-F321 HydrophobicContact CB-CD2 4.13Å; P318-F321 HydrophobicContact CB-CE2 4.1Å; P318-F321 HydrophobicContact CG-CD2 3.53Å; P318-F321 HydrophobicContact CG-CE2 3.29Å; P318-F321 HydrophobicContact CG-CZ 4.45Å; P318-F321 WeakPolarHBondContact O-CD2 3.32Å; P318-F321 PolarHBondContact O-N 3.28Å; L319-F321 PolarHBondContact O-N 2.99Å; F321-L325 WeakPolarHBondContact O-CB 3.47Å; F321-L325 PolarHBondContact O-N 2.94Å; F321-F372 AromaticContact CD1-CD2 3.49Å; F321-F372 HydrophobicContact CD1-CD2 3.49Å; F321-F372 VanDerWaalsContact CD1-CD2 3.49Å; F321-F372 AromaticContact CD1-CE2 3.2Å; F321-F372 HydrophobicContact CD1-CE2 3.2Å; F321-F372 HydrophobicContact CD1-CZ 4.24Å; F321-F372 AromaticContact CE1-CD2 3.27Å; F321-F372 HydrophobicContact CE1-CD2 3.27Å; F321-F372 AromaticContact CE1-CE2 3.43Å; F321-F372 HydrophobicContact CE1-CE2 3.43Å; F321-F372 VanDerWaalsContact CE1-CE2 3.43Å; F321-F372 HydrophobicContact CE1-CG 4.19Å; F321-F372 HydrophobicContact CE1-CZ 4.41Å; F321-F372 HydrophobicContact CG-CD2 4.36Å; F321-F372 HydrophobicContact CG-CE2 4.17Å; F321-F372 HydrophobicContact CZ-CD2 4.04Å; F321-C375 HydrophobicContact CE1-CB 4.16Å; F321-C375 HydrophobicContact CZ-CB 4.31Å; F321-V410 HydrophobicContact CB-CG1 3.94Å; F321-V410 HydrophobicContact CD1-CG1 3.99Å; F321-V410 HydrophobicContact CD1-CG2 4.4Å; F321-V410 HydrophobicContact CG-CG1 4.4Å; F321-M413 HydrophobicContact CB-CE 4Å; F321-M413 HydrophobicContact CD1-CE 3.58Å; F321-M413 HydrophobicContact CD2-CE 3.71Å; F321-M413 HydrophobicContact CE1-CE 3.95Å; F321-M413 HydrophobicContact CE2-CE 4.02Å; F321-M413 HydrophobicContact CG-CE 3.5Å; F321-M413 HydrophobicContact CZ-CE 4.17Å; F321-L414 HydrophobicContact CB-CD1 4.22Å; F321-L414 HydrophobicContact CB-CD2 4.11Å; F321-L414 HydrophobicContact CB-CG 4.35Å |
| 322 | V | 86.1 | Confident | 85.4 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.012 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.4 | -41.3 | 177.6 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | L299 F305 F308 M309 L312 L319 L325 L326 L414 | L299-V322 HydrophobicContact CD2-CG1 4.26Å; F305-V322 HydrophobicContact CE2-CG1 3.82Å; F305-V322 HydrophobicContact CZ-CG1 4.3Å; F308-V322 HydrophobicContact CE1-CG2 4.17Å; M309-V322 HydrophobicContact SD-CB 4.2Å; M309-V322 HydrophobicContact SD-CG1 3.91Å; M309-V322 HydrophobicContact SD-CG2 4.38Å; L312-V322 HydrophobicContact CD1-CG2 3.54Å; L319-V322 PolarHBondContact O-N 3.41Å; V322-L325 PolarHBondContact O-N 3.44Å; V322-L326 HydrophobicContact CG1-CD1 4.21Å; V322-L326 HydrophobicContact CG1-CG 4.49Å; V322-L326 WeakPolarHBondContact O-CG 3.4Å; V322-L326 PolarHBondContact O-N 3.38Å; V322-L414 HydrophobicContact CG2-CD1 4.03Å; V322-L414 HydrophobicContact CG2-CD2 4.41Å |
| 323 | Q | 87 | Confident | 85.3 | Confident | 93 Ų | 93 | 57.2 Ų | 57.2 | 44% | 0.435 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 176.9 | -68.7 | 177.4 | -16.6 | 0 | 0 | 112.4 | L319 V320 S327 Y363 | L319-Q323 PolarHBondContact O-N 3.44Å; L319-Q323 VanDerWaalsContact O-N 3.17Å; V320-Q323 PolarHBondContact O-N 2.95Å; Q323-S327 WeakPolarHBondContact O-CB 3.43Å; Q323-S327 PolarHBondContact O-N 3.19Å; Q323-S327 PolarHBondContact O-OG 3.39Å; Q323-Y363 HydrophobicContact CB-CE1 4.11Å |
| 324 | F | 89.5 | Confident | 85.1 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.9 | -48.5 | 172.1 | 170.9 | -92.5 | 0 | 0 | 0 | 111 | V320 L326 S327 A328 L359 Y363 L364 F372 A406 V410 | V320-F324 WeakPolarHBondContact O-CB 3.45Å; V320-F324 PolarHBondContact O-N 2.79Å; F324-L326 PolarHBondContact O-N 2.79Å; F324-S327 PolarHBondContact O-N 2.99Å; F324-A328 HydrophobicContact CE1-CB 4.36Å; F324-A328 HydrophobicContact CZ-CB 4.48Å; F324-A328 VanDerWaalsContact O-CB 3.27Å; F324-A328 WeakPolarHBondContact O-CB 3.31Å; F324-A328 PolarHBondContact O-N 2.75Å; F324-L359 HydrophobicContact CD2-CD2 4.09Å; F324-L359 HydrophobicContact CD2-CG 4.4Å; F324-L359 HydrophobicContact CE2-CD2 3.69Å; F324-L359 HydrophobicContact CE2-CG 4.41Å; F324-Y363 HydrophobicContact CB-CD1 4.36Å; F324-Y363 HydrophobicContact CB-CD2 4.47Å; F324-Y363 HydrophobicContact CB-CG 4.28Å; F324-Y363 HydrophobicContact CD2-CD2 4.07Å; F324-Y363 HydrophobicContact CD2-CG 4.1Å; F324-L364 HydrophobicContact CE2-CD1 4.49Å; F324-F372 HydrophobicContact CB-CE2 4.02Å; F324-F372 HydrophobicContact CB-CZ 3.87Å; F324-F372 AromaticContact CD1-CZ 3.84Å; F324-F372 HydrophobicContact CD1-CZ 3.84Å; F324-F372 HydrophobicContact CD2-CE1 4.11Å; F324-F372 AromaticContact CD2-CZ 3.64Å; F324-F372 HydrophobicContact CD2-CZ 3.64Å; F324-F372 HydrophobicContact CE1-CZ 4.29Å; F324-F372 HydrophobicContact CE2-CE1 4.28Å; F324-F372 HydrophobicContact CE2-CZ 4.09Å; F324-F372 HydrophobicContact CG-CE1 4.4Å; F324-F372 HydrophobicContact CG-CE2 4.14Å; F324-F372 AromaticContact CG-CZ 3.49Å; F324-F372 HydrophobicContact CG-CZ 3.49Å; F324-F372 VanDerWaalsContact CG-CZ 3.49Å; F324-F372 HydrophobicContact CZ-CZ 4.41Å; F324-A406 HydrophobicContact CE1-CB 4.45Å; F324-A406 HydrophobicContact CZ-CB 3.96Å; F324-V410 HydrophobicContact CD1-CB 4.21Å; F324-V410 HydrophobicContact CD1-CG1 4.22Å; F324-V410 HydrophobicContact CD1-CG2 3.85Å; F324-V410 HydrophobicContact CE1-CB 4.29Å; F324-V410 HydrophobicContact CE1-CG2 3.77Å |
| 325 | L | 89.5 | Confident | 85 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.5 | -43.9 | -177.2 | -169.8 | 147.2 | 0 | 0 | 0 | 112 | L295 L299 F321 V322 A328 R329 Y407 V410 Y411 L414 | L295-L325 HydrophobicContact CD2-CD1 4.29Å; L299-L325 HydrophobicContact CD1-CD2 3.48Å; L299-L325 VanDerWaalsContact CD1-CD2 3.48Å; F321-L325 WeakPolarHBondContact O-CB 3.47Å; F321-L325 PolarHBondContact O-N 2.94Å; V322-L325 PolarHBondContact O-N 3.44Å; L325-A328 PolarHBondContact O-N 2.92Å; L325-R329 VanDerWaalsContact O-CB 3.3Å; L325-R329 WeakPolarHBondContact O-CB 3.4Å; L325-R329 PolarHBondContact O-N 3.49Å; L325-Y407 HydrophobicContact CD1-CE2 4.29Å; L325-Y407 HydrophobicContact CD2-CE2 3.64Å; L325-Y407 HydrophobicContact CG-CD2 3.95Å; L325-Y407 HydrophobicContact CG-CE2 3.51Å; L325-V410 HydrophobicContact CB-CG1 4.47Å; L325-V410 HydrophobicContact CD1-CG1 4.32Å; L325-Y411 HydrophobicContact CD1-CD2 4.1Å; L325-Y411 HydrophobicContact CD1-CG 4.42Å; L325-L414 HydrophobicContact CD1-CD1 3.99Å |
| 326 | L | 89.5 | Confident | 85 | Confident | 67 Ų | 67 | 49.1 Ų | 49.1 | 35% | 0.351 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65 | -41.7 | 175.1 | -69.1 | 174.1 | 0 | 0 | 0 | 112.3 | L299 F305 V322 F324 H330 | L299-L326 HydrophobicContact CD2-CD2 4.33Å; F305-L326 HydrophobicContact CE2-CD1 3.99Å; F305-L326 HydrophobicContact CZ-CD1 3.82Å; V322-L326 HydrophobicContact CG1-CD1 4.21Å; V322-L326 HydrophobicContact CG1-CG 4.49Å; V322-L326 WeakPolarHBondContact O-CG 3.4Å; V322-L326 PolarHBondContact O-N 3.38Å; F324-L326 PolarHBondContact O-N 2.79Å; L326-H330 WeakPolarHBondContact O-CB 3.35Å; L326-H330 PolarHBondContact O-N 3.07Å |
| 327 | S | 88.2 | Confident | 84.6 | Confident | 38 Ų | 38 | 42.6 Ų | 42.6 | 27% | 0.266 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.9 | -42.6 | 178.1 | -54.7 | 0 | 0 | 0 | 0 | 111.5 | Q323 F324 H330 I331 Y363 | Q323-S327 WeakPolarHBondContact O-CB 3.43Å; Q323-S327 PolarHBondContact O-N 3.19Å; Q323-S327 PolarHBondContact O-OG 3.39Å; F324-S327 PolarHBondContact O-N 2.99Å; S327-H330 PolarHBondContact O-N 3.41Å; S327-I331 WeakPolarHBondContact O-CG1 3.46Å; S327-I331 PolarHBondContact O-N 2.83Å; S327-I331 VanDerWaalsContact O-N 3.16Å; S327-Y363 PolarHBondContact OG-OH 2.97Å |
| 328 | A | 89.7 | Confident | 83.6 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.5 | -45.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | F324 L325 H330 I331 L332 L359 L403 Y407 | F324-A328 HydrophobicContact CE1-CB 4.36Å; F324-A328 HydrophobicContact CZ-CB 4.48Å; F324-A328 VanDerWaalsContact O-CB 3.27Å; F324-A328 WeakPolarHBondContact O-CB 3.31Å; F324-A328 PolarHBondContact O-N 2.75Å; L325-A328 PolarHBondContact O-N 2.92Å; A328-H330 VanDerWaalsContact C-N 3.34Å; A328-H330 PolarHBondContact O-N 3.15Å; A328-I331 PolarHBondContact O-N 2.6Å; A328-L332 WeakPolarHBondContact O-CB 3.47Å; A328-L332 VanDerWaalsContact O-CG 3.28Å; A328-L332 WeakPolarHBondContact O-CG 3.5Å; A328-L332 PolarHBondContact O-N 2.82Å; A328-L359 HydrophobicContact CB-CD1 4.13Å; A328-L403 HydrophobicContact CB-CD1 3.88Å; A328-L403 HydrophobicContact CB-CG 4.4Å; A328-Y407 HydrophobicContact CB-CD2 4.16Å |
| 329 | R | 89.1 | Confident | 82.5 | Confident | 85 Ų | 85 | 50.4 Ų | 50.4 | 32% | 0.321 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -57.2 | -46.3 | 175.3 | -176.1 | 171.5 | 177.9 | 163.2 | 1.2 | 111.7 | D296 L325 I331 L332 D333 Y407 | D296-R329 IonicContact OD1-NH1 3.73Å; L325-R329 VanDerWaalsContact O-CB 3.3Å; L325-R329 WeakPolarHBondContact O-CB 3.4Å; L325-R329 PolarHBondContact O-N 3.49Å; R329-I331 VanDerWaalsContact C-N 3.33Å; R329-I331 PolarHBondContact O-N 3.34Å; R329-L332 PolarHBondContact O-N 2.79Å; R329-D333 IonicContact NE-OD2 3.35Å; R329-D333 WeakPolarHBondContact O-CB 3.39Å; R329-D333 VanDerWaalsContact O-CG 3.24Å; R329-D333 PolarHBondContact O-N 3.33Å; R329-Y407 HydrophobicContact CB-CE2 3.92Å |
| 330 | H | 88.7 | Confident | 80.8 | Confident | 91 Ų | 91 | 52.3 Ų | 52.3 | 42% | 0.421 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.8 | -40.6 | 177.6 | 179.6 | 77 | 0 | 0 | 0 | 113 | L326 S327 A328 K334 E355 | L326-H330 WeakPolarHBondContact O-CB 3.35Å; L326-H330 PolarHBondContact O-N 3.07Å; S327-H330 PolarHBondContact O-N 3.41Å; A328-H330 VanDerWaalsContact C-N 3.34Å; A328-H330 PolarHBondContact O-N 3.15Å; H330-K334 WeakPolarHBondContact CE1-CE 3.36Å; H330-K334 WeakPolarHBondContact NE2-CE 3.12Å; H330-K334 PolarHBondContact NE2-NZ 2.82Å; H330-K334 VanDerWaalsContact NE2-NZ 3.15Å; H330-K334 WeakPolarHBondContact O-CG 3.25Å; H330-K334 PolarHBondContact O-N 3.19Å; H330-E355 IonicContact CD2-OE1 3.03Å; H330-E355 IonicContact NE2-OE1 2.74Å; H330-E355 PolarHBondContact NE2-OE1 3.42Å |
| 331 | I | 88.1 | Confident | 79.3 | Confident | 3 Ų | 3 | 54.7 Ų | 54.7 | 2% | 0.015 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68 | -45.8 | 174.9 | -68.5 | 161 | 0 | 0 | 0 | 110.7 | S327 A328 R329 D333 K334 L335 V352 E355 A356 L359 L403 | S327-I331 WeakPolarHBondContact O-CG1 3.46Å; S327-I331 PolarHBondContact O-N 2.83Å; S327-I331 VanDerWaalsContact O-N 3.16Å; A328-I331 PolarHBondContact O-N 2.6Å; R329-I331 VanDerWaalsContact C-N 3.33Å; R329-I331 PolarHBondContact O-N 3.34Å; I331-D333 PolarHBondContact O-N 3.48Å; I331-K334 PolarHBondContact O-N 3.45Å; I331-L335 HydrophobicContact CG2-CD1 3.81Å; I331-L335 HydrophobicContact CG2-CG 4.37Å; I331-L335 VanDerWaalsContact O-CG 3.27Å; I331-L335 WeakPolarHBondContact O-CG 3.34Å; I331-L335 PolarHBondContact O-N 3.38Å; I331-V352 HydrophobicContact CG2-CG1 3.99Å; I331-E355 HydrophobicContact CD1-CB 4.41Å; I331-E355 HydrophobicContact CG1-CB 4.2Å; I331-A356 HydrophobicContact CD1-CB 4.14Å; I331-L359 HydrophobicContact CD1-CB 4.08Å; I331-L359 HydrophobicContact CD1-CD1 3.53Å; I331-L359 HydrophobicContact CD1-CG 4.43Å; I331-L403 HydrophobicContact CB-CD2 4.06Å; I331-L403 HydrophobicContact CG2-CD2 3.61Å |
| 332 | L | 88.2 | Confident | 77.5 | Confident | 11 Ų | 11 | 55.9 Ų | 55.9 | 6% | 0.058 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.7 | -40.9 | 179.2 | -71.1 | 173.6 | 0 | 0 | 0 | 112 | A328 R329 K334 L335 N336 L400 L403 C404 Y407 | A328-L332 WeakPolarHBondContact O-CB 3.47Å; A328-L332 VanDerWaalsContact O-CG 3.28Å; A328-L332 WeakPolarHBondContact O-CG 3.5Å; A328-L332 PolarHBondContact O-N 2.82Å; R329-L332 PolarHBondContact O-N 2.79Å; L332-K334 VanDerWaalsContact C-N 3.35Å; L332-K334 PolarHBondContact O-N 2.93Å; L332-L335 PolarHBondContact O-N 2.97Å; L332-N336 VanDerWaalsContact O-CB 3.27Å; L332-N336 WeakPolarHBondContact O-CB 3.43Å; L332-N336 VanDerWaalsContact O-CG 3.27Å; L332-N336 PolarHBondContact O-N 3.25Å; L332-N336 PolarHBondContact O-ND2 3.32Å; L332-L400 HydrophobicContact CD2-CD1 3.94Å; L332-L403 HydrophobicContact CD1-CG 4.38Å; L332-L403 HydrophobicContact CD2-CB 4.21Å; L332-L403 HydrophobicContact CD2-CD2 3.81Å; L332-L403 HydrophobicContact CD2-CG 4.01Å; L332-L403 HydrophobicContact CG-CD2 3.86Å; L332-L403 HydrophobicContact CG-CG 4.08Å; L332-C404 VanDerWaalsContact CD2-SG 3.53Å; L332-Y407 HydrophobicContact CD1-CD2 4.43Å; L332-Y407 HydrophobicContact CD1-CG 4.18Å |
| 333 | D | 86 | Confident | 76 | Confident | 91 Ų | 91 | 61.5 Ų | 61.5 | 49% | 0.487 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.5 | -39.5 | 177.3 | -73.2 | -18.1 | 0 | 0 | 0 | 111.2 | R329 I331 G337 | R329-D333 IonicContact NE-OD2 3.35Å; R329-D333 WeakPolarHBondContact O-CB 3.39Å; R329-D333 VanDerWaalsContact O-CG 3.24Å; R329-D333 PolarHBondContact O-N 3.33Å; I331-D333 PolarHBondContact O-N 3.48Å; D333-G337 WeakPolarHBondContact O-CA 3.45Å; D333-G337 PolarHBondContact O-N 2.89Å |
| 334 | K | 84.8 | Confident | 74.4 | Confident | 60 Ų | 60 | 60.7 Ų | 60.7 | 26% | 0.261 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.4 | -35 | 173.3 | -72.9 | -176.1 | -176.1 | -178.3 | 0 | 113.1 | H330 I331 L332 V352 E355 | H330-K334 WeakPolarHBondContact CE1-CE 3.36Å; H330-K334 WeakPolarHBondContact NE2-CE 3.12Å; H330-K334 PolarHBondContact NE2-NZ 2.82Å; H330-K334 VanDerWaalsContact NE2-NZ 3.15Å; H330-K334 WeakPolarHBondContact O-CG 3.25Å; H330-K334 PolarHBondContact O-N 3.19Å; I331-K334 PolarHBondContact O-N 3.45Å; L332-K334 VanDerWaalsContact C-N 3.35Å; L332-K334 PolarHBondContact O-N 2.93Å; K334-V352 HydrophobicContact CB-CG2 3.92Å; K334-V352 HydrophobicContact CD-CG2 3.73Å; K334-V352 HydrophobicContact CG-CG2 4.49Å; K334-E355 IonicContact NZ-OE1 3.59Å; K334-E355 PolarHBondContact NZ-OE1 3.23Å; K334-E355 IonicContact NZ-OE2 3.05Å; K334-E355 PolarHBondContact NZ-OE2 3.14Å |
| 335 | L | 81.8 | Confident | 73.3 | Confident | 12 Ų | 12 | 66 Ų | 66 | 6% | 0.063 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -73.6 | -42.9 | 177.1 | -69.6 | 171.2 | 0 | 0 | 0 | 111.8 | I331 L332 V352 F395 P396 I399 | I331-L335 HydrophobicContact CG2-CD1 3.81Å; I331-L335 HydrophobicContact CG2-CG 4.37Å; I331-L335 VanDerWaalsContact O-CG 3.27Å; I331-L335 WeakPolarHBondContact O-CG 3.34Å; I331-L335 PolarHBondContact O-N 3.38Å; L332-L335 PolarHBondContact O-N 2.97Å; L335-V352 HydrophobicContact CD2-CG1 3.97Å; L335-V352 HydrophobicContact CG-CG1 4.08Å; L335-F395 HydrophobicContact CD2-CE1 4.44Å; L335-P396 HydrophobicContact CD2-CB 4.02Å; L335-I399 HydrophobicContact CD1-CG2 3.58Å |
| 336 | N | 79.1 | Confident | 72.4 | Confident | 88 Ų | 88 | 74 Ų | 74 | 47% | 0.471 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -79.3 | -39.1 | -177.2 | -71.2 | -24.1 | 0 | 0 | 0 | 113 | L332 E338 | L332-N336 VanDerWaalsContact O-CB 3.27Å; L332-N336 WeakPolarHBondContact O-CB 3.43Å; L332-N336 VanDerWaalsContact O-CG 3.27Å; L332-N336 PolarHBondContact O-N 3.25Å; L332-N336 PolarHBondContact O-ND2 3.32Å; N336-E338 PolarHBondContact O-N 3.23Å; N336-E338 VanDerWaalsContact O-N 3.09Å |
| 337 | G | 69 | Low | 71.8 | Confident | 54 Ų | 54 | 78.1 Ų | 78.1 | 56% | 0.557 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -13.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D333 | D333-G337 WeakPolarHBondContact O-CA 3.45Å; D333-G337 PolarHBondContact O-N 2.89Å |
| 338 | E | 55.8 | Low | 71.2 | Confident | 78 Ų | 78 | 77.9 Ų | 77.9 | 36% | 0.364 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.3 | 17.7 | -169.4 | -61.1 | -166.2 | 156.9 | 0 | 0 | 115.2 | N336 A340 L341 L342 | N336-E338 PolarHBondContact O-N 3.23Å; N336-E338 VanDerWaalsContact O-N 3.09Å; E338-A340 PolarHBondContact O-N 2.87Å; E338-L341 HydrophobicContact CB-CB 3.94Å; E338-L341 HydrophobicContact CG-CB 4.02Å; E338-L341 HydrophobicContact CG-CD1 4.22Å; E338-L341 PolarHBondContact O-N 3.23Å; E338-L342 HydrophobicContact CB-CD1 4.19Å; E338-L342 HydrophobicContact CB-CG 3.78Å; E338-L342 VanDerWaalsContact O-CB 3.3Å; E338-L342 WeakPolarHBondContact O-CB 3.26Å; E338-L342 WeakPolarHBondContact O-CG 3.14Å; E338-L342 PolarHBondContact O-N 3.07Å |
| 339 | E | 51.2 | Low | 70.7 | Confident | 158 Ų | 158 | 79.4 Ų | 79.4 | 74% | 0.738 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -19.7 | 157 | -75.3 | -167.8 | 157.8 | 0 | 0 | 111.1 | ||
| 340 | A | 47.4 | Very low | 70.4 | Confident | 89 Ų | 89 | 78.2 Ų | 78.2 | 74% | 0.736 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -20.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | E338 | E338-A340 PolarHBondContact O-N 2.87Š|
| 341 | L | 49.8 | Very low | 70.3 | Confident | 106 Ų | 106 | 78.8 Ų | 78.8 | 56% | 0.555 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.3 | -18.6 | -173.6 | -83.8 | 153.6 | 0 | 0 | 0 | 114.1 | E338 S343 A344 | E338-L341 HydrophobicContact CB-CB 3.94Å; E338-L341 HydrophobicContact CG-CB 4.02Å; E338-L341 HydrophobicContact CG-CD1 4.22Å; E338-L341 PolarHBondContact O-N 3.23Å; L341-S343 PolarHBondContact O-N 3.27Å; L341-A344 WeakPolarHBondContact O-CB 3.26Å; L341-A344 PolarHBondContact O-N 2.94Å |
| 342 | L | 49.8 | Very low | 70.2 | Confident | 46 Ų | 46 | 79.2 Ų | 79.2 | 24% | 0.241 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | 6.2 | -178.2 | -71.9 | 177.2 | 0 | 0 | 0 | 115.2 | E338 A344 I349 | E338-L342 HydrophobicContact CB-CD1 4.19Å; E338-L342 HydrophobicContact CB-CG 3.78Å; E338-L342 VanDerWaalsContact O-CB 3.3Å; E338-L342 WeakPolarHBondContact O-CB 3.26Å; E338-L342 WeakPolarHBondContact O-CG 3.14Å; E338-L342 PolarHBondContact O-N 3.07Å; L342-A344 PolarHBondContact O-N 3.41Å; L342-I349 HydrophobicContact CD1-CG1 4.44Å; L342-I349 HydrophobicContact CD2-CD1 4.05Å; L342-I349 HydrophobicContact CD2-CG1 3.5Å; L342-I349 VanDerWaalsContact CD2-CG1 3.5Å; L342-I349 HydrophobicContact CG-CG1 4.45Å |
| 343 | S | 52.9 | Low | 70.2 | Confident | 120 Ų | 120 | 80 Ų | 80 | 84% | 0.839 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -9.4 | 156.8 | 62.5 | 0 | 0 | 0 | 0 | 112.7 | L341 | L341-S343 PolarHBondContact O-N 3.27Š|
| 344 | A | 54.3 | Low | 70.3 | Confident | 77 Ų | 77 | 82.8 Ų | 82.8 | 64% | 0.636 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -114.2 | -29.1 | -169.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | L341 L342 | L341-A344 WeakPolarHBondContact O-CB 3.26Å; L341-A344 PolarHBondContact O-N 2.94Å; L342-A344 PolarHBondContact O-N 3.41Å |
| 345 | N | 66.6 | Low | 70.6 | Confident | 111 Ų | 111 | 82 Ų | 82 | 59% | 0.594 | 46% | 0.457 | S | S | * | . | trans | -134 | 108.4 | -172.8 | -111.8 | -1 | 0 | 0 | 0 | 115.8 | E347 G348 | N345-E347 VanDerWaalsContact C-N 3.32Å; N345-E347 PolarHBondContact O-N 3.46Å; N345-G348 PolarHBondContact O-N 3.35Å | ||
| 346 | K | 70.5 | Confident | 70.9 | Confident | 170 Ų | 170 | 81.5 Ų | 81.5 | 74% | 0.739 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -62.8 | -31.7 | 176.5 | -74.2 | -178.7 | 178.2 | 176.3 | 0 | 114 | I349 S350 | K346-I349 PolarHBondContact O-N 2.97Å; K346-S350 PolarHBondContact O-N 3.36Å |
| 347 | E | 76.6 | Confident | 71.4 | Confident | 153 Ų | 153 | 82.1 Ų | 82.1 | 72% | 0.715 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -67.4 | -36.3 | -178 | -67.6 | 179 | 176 | 0 | 0 | 112.4 | N345 S350 H351 | N345-E347 VanDerWaalsContact C-N 3.32Å; N345-E347 PolarHBondContact O-N 3.46Å; E347-S350 WeakPolarHBondContact CA-OG 3.08Å; E347-S350 PolarHBondContact O-N 3.3Å; E347-S350 PolarHBondContact O-OG 2.9Å; E347-H351 PolarHBondContact O-N 3.22Å; E347-H351 VanDerWaalsContact O-N 3.1Å |
| 348 | G | 76.2 | Confident | 72.3 | Confident | 32 Ų | 32 | 82.2 Ų | 82.2 | 33% | 0.33 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63 | -44.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | N345 S350 H351 V352 | N345-G348 PolarHBondContact O-N 3.35Å; G348-S350 PolarHBondContact O-N 2.73Å; G348-H351 WeakPolarHBondContact O-CB 3.49Å; G348-H351 PolarHBondContact O-N 3.44Å; G348-H351 VanDerWaalsContact O-N 3.17Å; G348-V352 WeakPolarHBondContact O-CG2 3.44Å; G348-V352 PolarHBondContact O-N 2.92Å |
| 349 | I | 79.7 | Confident | 73.9 | Confident | 33 Ų | 33 | 78.9 Ų | 78.9 | 17% | 0.169 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 178 | -57.6 | 176.8 | 0 | 0 | 0 | 111 | L342 K346 H351 V352 H353 S392 P396 | L342-I349 HydrophobicContact CD1-CG1 4.44Å; L342-I349 HydrophobicContact CD2-CD1 4.05Å; L342-I349 HydrophobicContact CD2-CG1 3.5Å; L342-I349 VanDerWaalsContact CD2-CG1 3.5Å; L342-I349 HydrophobicContact CG-CG1 4.45Å; K346-I349 PolarHBondContact O-N 2.97Å; I349-H351 VanDerWaalsContact C-N 3.27Å; I349-H351 PolarHBondContact O-N 3.47Å; I349-V352 PolarHBondContact O-N 3.42Å; I349-H353 VanDerWaalsContact O-CB 3.26Å; I349-H353 WeakPolarHBondContact O-CB 3.27Å; I349-H353 PolarHBondContact O-N 2.89Å; I349-S392 VanDerWaalsContact CG2-O 3.24Å; I349-S392 WeakPolarHBondContact CG2-O 3.33Å; I349-P396 HydrophobicContact CG2-CG 3.88Å |
| 350 | S | 82.6 | Confident | 75.6 | Confident | 59 Ų | 59 | 72.7 Ų | 72.7 | 41% | 0.413 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.5 | -34 | 177.7 | 57.7 | 0 | 0 | 0 | 0 | 112.7 | K346 E347 G348 W354 | K346-S350 PolarHBondContact O-N 3.36Å; E347-S350 WeakPolarHBondContact CA-OG 3.08Å; E347-S350 PolarHBondContact O-N 3.3Å; E347-S350 PolarHBondContact O-OG 2.9Å; G348-S350 PolarHBondContact O-N 2.73Å; S350-W354 PolarHBondContact O-N 3.35Å |
| 351 | H | 85.7 | Confident | 77.5 | Confident | 103 Ų | 103 | 74.4 Ų | 74.4 | 48% | 0.477 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -68 | -46.2 | 176.3 | -173.6 | -77.7 | 0 | 0 | 0 | 111.5 | E347 G348 I349 H353 W354 E355 | E347-H351 PolarHBondContact O-N 3.22Å; E347-H351 VanDerWaalsContact O-N 3.1Å; G348-H351 WeakPolarHBondContact O-CB 3.49Å; G348-H351 PolarHBondContact O-N 3.44Å; G348-H351 VanDerWaalsContact O-N 3.17Å; I349-H351 VanDerWaalsContact C-N 3.27Å; I349-H351 PolarHBondContact O-N 3.47Å; H351-H353 VanDerWaalsContact C-N 3.3Å; H351-H353 PolarHBondContact O-N 3.33Å; H351-W354 WeakPolarHBondContact O-CB 3.42Å; H351-W354 PolarHBondContact O-N 2.97Å; H351-E355 VanDerWaalsContact CE1-CD 3.44Å; H351-E355 IonicContact CE1-OE1 3.57Å; H351-E355 PolarHBondContact CE1-OE1 2.86Å; H351-E355 IonicContact CE1-OE2 3.72Å; H351-E355 IonicContact ND1-OE1 2.73Å; H351-E355 IonicContact ND1-OE2 3.61Å; H351-E355 PolarHBondContact O-N 3.35Å |
| 352 | V | 86.2 | Confident | 79.2 | Confident | 13 Ų | 13 | 72.4 Ų | 72.4 | 8% | 0.079 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.8 | -37.6 | 176.8 | -179.4 | 0 | 0 | 0 | 0 | 111.2 | I331 K334 L335 G348 I349 W354 E355 A356 F395 | I331-V352 HydrophobicContact CG2-CG1 3.99Å; K334-V352 HydrophobicContact CB-CG2 3.92Å; K334-V352 HydrophobicContact CD-CG2 3.73Å; K334-V352 HydrophobicContact CG-CG2 4.49Å; L335-V352 HydrophobicContact CD2-CG1 3.97Å; L335-V352 HydrophobicContact CG-CG1 4.08Å; G348-V352 WeakPolarHBondContact O-CG2 3.44Å; G348-V352 PolarHBondContact O-N 2.92Å; I349-V352 PolarHBondContact O-N 3.42Å; V352-W354 VanDerWaalsContact C-N 3.33Å; V352-W354 PolarHBondContact O-N 3.46Å; V352-E355 PolarHBondContact O-N 3.11Å; V352-A356 PolarHBondContact O-N 3.5Å; V352-F395 HydrophobicContact CG1-CE1 4.21Å |
| 353 | H | 88.2 | Confident | 80.8 | Confident | 27 Ų | 27 | 71.9 Ų | 71.9 | 13% | 0.125 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.1 | -42 | 174.6 | -172.3 | -163.3 | 0 | 0 | 0 | 111.6 | I349 H351 A356 W357 V388 A390 S392 F395 | I349-H353 VanDerWaalsContact O-CB 3.26Å; I349-H353 WeakPolarHBondContact O-CB 3.27Å; I349-H353 PolarHBondContact O-N 2.89Å; H351-H353 VanDerWaalsContact C-N 3.3Å; H351-H353 PolarHBondContact O-N 3.33Å; H353-A356 PolarHBondContact O-N 3.41Å; H353-W357 PolarHBondContact O-N 2.95Å; H353-V388 PolarHBondContact NE2-O 3.42Å; H353-A390 PolarHBondContact CE1-O 2.92Å; H353-S392 PolarHBondContact ND1-OG 3.13Å; H353-F395 HydrophobicContact CB-CD1 3.76Å; H353-F395 HydrophobicContact CB-CE1 3.93Å; H353-F395 HydrophobicContact CB-CG 4.1Å; H353-F395 HydrophobicContact CB-CZ 4.39Å; H353-F395 AromaticContact CD2-CD1 3.99Å; H353-F395 AromaticContact CD2-CD2 3.21Å; H353-F395 WeakPolarHBondContact CD2-CD2 3.21Å; H353-F395 AromaticContact CD2-CE2 3.59Å; H353-F395 AromaticContact CD2-CG 3.44Å; H353-F395 VanDerWaalsContact CD2-CG 3.44Å; H353-F395 WeakPolarHBondContact CD2-CG 3.39Å; H353-F395 AromaticContact CG-CD1 3.95Å; H353-F395 AromaticContact CG-CD2 3.99Å; H353-F395 AromaticContact CG-CG 3.75Å; H353-F395 AromaticContact NE2-CD2 3.72Å; H353-F395 AromaticContact NE2-CG 3.99Å |
| 354 | W | 88.9 | Confident | 82.2 | Confident | 150 Ų | 150 | 66.3 Ų | 66.3 | 57% | 0.568 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -64.8 | -43.9 | 173.4 | 178.5 | -100 | 0 | 0 | 0 | 112.8 | S350 H351 V352 A356 W357 E358 | S350-W354 PolarHBondContact O-N 3.35Å; H351-W354 WeakPolarHBondContact O-CB 3.42Å; H351-W354 PolarHBondContact O-N 2.97Å; V352-W354 VanDerWaalsContact C-N 3.33Å; V352-W354 PolarHBondContact O-N 3.46Å; W354-A356 VanDerWaalsContact C-N 3.29Å; W354-A356 PolarHBondContact O-N 3.19Å; W354-W357 HydrophobicContact CH2-CE3 4.27Å; W354-W357 HydrophobicContact CH2-CZ3 4.28Å; W354-W357 HydrophobicContact CZ3-CE3 4.16Å; W354-W357 HydrophobicContact CZ3-CZ3 4.47Å; W354-W357 WeakPolarHBondContact O-CB 3.24Å; W354-W357 PolarHBondContact O-N 3.04Å; W354-W357 VanDerWaalsContact O-N 3.14Å; W354-E358 PolarHBondContact O-N 3.25Å |
| 355 | E | 89.4 | Confident | 83.4 | Confident | 42 Ų | 42 | 65.7 Ų | 65.7 | 20% | 0.196 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.2 | -39.5 | 175.7 | -73.3 | 175.4 | 145.5 | 0 | 0 | 111.9 | H330 I331 K334 H351 V352 E358 L359 | H330-E355 IonicContact CD2-OE1 3.03Å; H330-E355 IonicContact NE2-OE1 2.74Å; H330-E355 PolarHBondContact NE2-OE1 3.42Å; I331-E355 HydrophobicContact CD1-CB 4.41Å; I331-E355 HydrophobicContact CG1-CB 4.2Å; K334-E355 IonicContact NZ-OE1 3.59Å; K334-E355 PolarHBondContact NZ-OE1 3.23Å; K334-E355 IonicContact NZ-OE2 3.05Å; K334-E355 PolarHBondContact NZ-OE2 3.14Å; H351-E355 VanDerWaalsContact CE1-CD 3.44Å; H351-E355 IonicContact CE1-OE1 3.57Å; H351-E355 PolarHBondContact CE1-OE1 2.86Å; H351-E355 IonicContact CE1-OE2 3.72Å; H351-E355 IonicContact ND1-OE1 2.73Å; H351-E355 IonicContact ND1-OE2 3.61Å; H351-E355 PolarHBondContact O-N 3.35Å; V352-E355 PolarHBondContact O-N 3.11Å; E355-E358 PolarHBondContact O-N 2.89Å; E355-L359 WeakPolarHBondContact O-CB 3.15Å; E355-L359 PolarHBondContact O-N 3.43Å |
| 356 | A | 88.9 | Confident | 83.6 | Confident | 3 Ų | 3 | 64.2 Ų | 64.2 | 3% | 0.025 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.1 | -35.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I331 V352 H353 W354 E358 L359 Y360 V388 F395 | I331-A356 HydrophobicContact CD1-CB 4.14Å; V352-A356 PolarHBondContact O-N 3.5Å; H353-A356 PolarHBondContact O-N 3.41Å; W354-A356 VanDerWaalsContact C-N 3.29Å; W354-A356 PolarHBondContact O-N 3.19Å; A356-E358 VanDerWaalsContact C-N 3.35Å; A356-L359 PolarHBondContact O-N 3.22Å; A356-Y360 PolarHBondContact O-N 3.38Å; A356-V388 HydrophobicContact CB-CG2 4.41Å; A356-F395 HydrophobicContact CB-CE2 3.65Å; A356-F395 HydrophobicContact CB-CZ 3.39Å |
| 357 | W | 89.4 | Confident | 83.3 | Confident | 100 Ų | 100 | 62.7 Ų | 62.7 | 38% | 0.379 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 172.8 | -165.6 | 97.1 | 0 | 0 | 0 | 111.5 | H353 W354 Y360 R361 V388 | H353-W357 PolarHBondContact O-N 2.95Å; W354-W357 HydrophobicContact CH2-CE3 4.27Å; W354-W357 HydrophobicContact CH2-CZ3 4.28Å; W354-W357 HydrophobicContact CZ3-CE3 4.16Å; W354-W357 HydrophobicContact CZ3-CZ3 4.47Å; W354-W357 WeakPolarHBondContact O-CB 3.24Å; W354-W357 PolarHBondContact O-N 3.04Å; W354-W357 VanDerWaalsContact O-N 3.14Å; W357-Y360 PolarHBondContact O-N 3.39Å; W357-R361 HydrophobicContact CE3-CB 4.45Å; W357-R361 HydrophobicContact CZ3-CB 4.36Å; W357-R361 HydrophobicContact CZ3-CG 4.48Å; W357-R361 WeakPolarHBondContact O-CB 3.27Å; W357-R361 PolarHBondContact O-N 3.11Å; W357-V388 HydrophobicContact CB-CG1 3.81Å; W357-V388 HydrophobicContact CG-CG1 3.74Å |
| 358 | E | 88.7 | Confident | 82.6 | Confident | 57 Ų | 57 | 59.9 Ų | 59.9 | 27% | 0.266 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.3 | -38 | 176.4 | -168.9 | 60.3 | -160.2 | 0 | 0 | 111.8 | W354 E355 A356 R361 N362 | W354-E358 PolarHBondContact O-N 3.25Å; E355-E358 PolarHBondContact O-N 2.89Å; A356-E358 VanDerWaalsContact C-N 3.35Å; E358-R361 PolarHBondContact O-N 3.47Å; E358-R361 IonicContact OE2-NH1 2.79Å; E358-N362 WeakPolarHBondContact CG-ND2 3.42Å; E358-N362 VanDerWaalsContact O-CB 3.29Å; E358-N362 WeakPolarHBondContact O-CB 3.48Å; E358-N362 PolarHBondContact O-N 2.92Å; E358-N362 PolarHBondContact O-ND2 2.93Å; E358-N362 PolarHBondContact OE1-ND2 3.46Å; E358-N362 PolarHBondContact OE1-OD1 3.34Å |
| 359 | L | 88.7 | Confident | 81.6 | Confident | 8 Ų | 8 | 59.7 Ų | 59.7 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.1 | -49.7 | 171.1 | -179.1 | 159.6 | 0 | 0 | 0 | 111.1 | F324 A328 I331 E355 A356 R361 N362 Y363 L364 L403 | F324-L359 HydrophobicContact CD2-CD2 4.09Å; F324-L359 HydrophobicContact CD2-CG 4.4Å; F324-L359 HydrophobicContact CE2-CD2 3.69Å; F324-L359 HydrophobicContact CE2-CG 4.41Å; A328-L359 HydrophobicContact CB-CD1 4.13Å; I331-L359 HydrophobicContact CD1-CB 4.08Å; I331-L359 HydrophobicContact CD1-CD1 3.53Å; I331-L359 HydrophobicContact CD1-CG 4.43Å; E355-L359 WeakPolarHBondContact O-CB 3.15Å; E355-L359 PolarHBondContact O-N 3.43Å; A356-L359 PolarHBondContact O-N 3.22Å; L359-R361 VanDerWaalsContact C-N 3.32Å; L359-R361 PolarHBondContact O-N 3.41Å; L359-N362 PolarHBondContact O-N 3.21Å; L359-Y363 HydrophobicContact CB-CD2 4.44Å; L359-Y363 HydrophobicContact CD2-CD2 4.44Å; L359-Y363 HydrophobicContact CG-CD2 3.89Å; L359-Y363 HydrophobicContact CG-CE2 4.27Å; L359-Y363 WeakPolarHBondContact O-CD2 3.35Å; L359-Y363 PolarHBondContact O-N 2.72Å; L359-L364 HydrophobicContact CD2-CD1 4.2Å; L359-L403 HydrophobicContact CD1-CD1 4.4Å |
| 360 | Y | 87.4 | Confident | 80.5 | Confident | 28 Ų | 28 | 65.5 Ų | 65.5 | 11% | 0.11 | 33% | 0.329 | C | S | . | . | I | π-helix | trans | -59.2 | -45.2 | 177.4 | 171.5 | -97.4 | 0 | 0 | 0 | 111.4 | A356 W357 N362 L364 H365 I384 K385 | A356-Y360 PolarHBondContact O-N 3.38Å; W357-Y360 PolarHBondContact O-N 3.39Å; Y360-N362 PolarHBondContact O-N 3.15Å; Y360-L364 HydrophobicContact CD2-CB 3.59Å; Y360-L364 HydrophobicContact CD2-CD1 4.03Å; Y360-L364 HydrophobicContact CD2-CG 4.46Å; Y360-L364 HydrophobicContact CE2-CB 3.95Å; Y360-L364 HydrophobicContact CG-CB 4.37Å; Y360-L364 CarbonylContact O-C 3.6Å; Y360-L364 WeakPolarHBondContact O-CA 3.48Å; Y360-L364 WeakPolarHBondContact O-CB 3.3Å; Y360-L364 PolarHBondContact O-N 2.72Å; Y360-H365 AromaticContact CE1-CD2 3.93Å; Y360-H365 PolarHBondContact O-N 2.98Å; Y360-I384 HydrophobicContact CD2-CG2 4.24Å; Y360-K385 HydrophobicContact CD2-CB 4.43Å; Y360-K385 HydrophobicContact CE1-CG 4.38Å; Y360-K385 HydrophobicContact CE2-CB 3.68Å; Y360-K385 HydrophobicContact CE2-CG 4.08Å; Y360-K385 WeakPolarHBondContact OH-CD 3.34Å |
| 361 | R | 86.6 | Confident | 79.6 | Confident | 125 Ų | 125 | 67.1 Ų | 67.1 | 47% | 0.472 | 34% | 0.341 | S | S | . | . | I | π-helix | trans | -60.4 | -44.1 | 178.3 | -177.6 | -179.3 | -178.4 | -164.1 | 1.9 | 112.9 | W357 E358 L359 H365 V368 | W357-R361 HydrophobicContact CE3-CB 4.45Å; W357-R361 HydrophobicContact CZ3-CB 4.36Å; W357-R361 HydrophobicContact CZ3-CG 4.48Å; W357-R361 WeakPolarHBondContact O-CB 3.27Å; W357-R361 PolarHBondContact O-N 3.11Å; E358-R361 PolarHBondContact O-N 3.47Å; E358-R361 IonicContact OE2-NH1 2.79Å; L359-R361 VanDerWaalsContact C-N 3.32Å; L359-R361 PolarHBondContact O-N 3.41Å; R361-H365 WeakPolarHBondContact O-CB 3.36Å; R361-V368 WeakPolarHBondContact O-CG2 3.1Å |
| 362 | N | 85.8 | Confident | 78.7 | Confident | 64 Ų | 64 | 62.7 Ų | 62.7 | 34% | 0.342 | 32% | 0.32 | S | S | . | . | I | π-helix | trans | -81.9 | -24.6 | -172 | -70.4 | -22.9 | 0 | 0 | 0 | 113.7 | E358 L359 Y360 V368 | E358-N362 WeakPolarHBondContact CG-ND2 3.42Å; E358-N362 VanDerWaalsContact O-CB 3.29Å; E358-N362 WeakPolarHBondContact O-CB 3.48Å; E358-N362 PolarHBondContact O-N 2.92Å; E358-N362 PolarHBondContact O-ND2 2.93Å; E358-N362 PolarHBondContact OE1-ND2 3.46Å; E358-N362 PolarHBondContact OE1-OD1 3.34Å; L359-N362 PolarHBondContact O-N 3.21Å; Y360-N362 PolarHBondContact O-N 3.15Å; N362-V368 WeakPolarHBondContact O-CG1 3.45Å |
| 363 | Y | 83.9 | Confident | 77.6 | Confident | 34 Ų | 34 | 63.9 Ų | 63.9 | 13% | 0.133 | 33% | 0.327 | C | S | . | . | I | π-helix | trans | -124.4 | -30.9 | -172.8 | -53 | -68.5 | 0 | 0 | 0 | 114.7 | V320 Q323 F324 S327 L359 F372 | V320-Y363 HydrophobicContact CG1-CD1 3.6Å; V320-Y363 HydrophobicContact CG1-CE1 4.06Å; Q323-Y363 HydrophobicContact CB-CE1 4.11Å; F324-Y363 HydrophobicContact CB-CD1 4.36Å; F324-Y363 HydrophobicContact CB-CD2 4.47Å; F324-Y363 HydrophobicContact CB-CG 4.28Å; F324-Y363 HydrophobicContact CD2-CD2 4.07Å; F324-Y363 HydrophobicContact CD2-CG 4.1Å; S327-Y363 PolarHBondContact OG-OH 2.97Å; L359-Y363 HydrophobicContact CB-CD2 4.44Å; L359-Y363 HydrophobicContact CD2-CD2 4.44Å; L359-Y363 HydrophobicContact CG-CD2 3.89Å; L359-Y363 HydrophobicContact CG-CE2 4.27Å; L359-Y363 WeakPolarHBondContact O-CD2 3.35Å; L359-Y363 PolarHBondContact O-N 2.72Å; Y363-F372 VanDerWaalsContact O-CD1 3.26Å; Y363-F372 WeakPolarHBondContact O-CD1 3.3Å |
| 364 | L | 82.7 | Confident | 76.7 | Confident | 3 Ų | 3 | 68.7 Ų | 68.7 | 2% | 0.016 | 35% | 0.354 | C | S | . | . | I | π-helix | trans | -110.6 | -12.5 | -170.7 | -64.1 | 172.7 | 0 | 0 | 0 | 113.6 | F324 L359 Y360 F372 L376 V381 I384 | F324-L364 HydrophobicContact CE2-CD1 4.49Å; L359-L364 HydrophobicContact CD2-CD1 4.2Å; Y360-L364 HydrophobicContact CD2-CB 3.59Å; Y360-L364 HydrophobicContact CD2-CD1 4.03Å; Y360-L364 HydrophobicContact CD2-CG 4.46Å; Y360-L364 HydrophobicContact CE2-CB 3.95Å; Y360-L364 HydrophobicContact CG-CB 4.37Å; Y360-L364 CarbonylContact O-C 3.6Å; Y360-L364 WeakPolarHBondContact O-CA 3.48Å; Y360-L364 WeakPolarHBondContact O-CB 3.3Å; Y360-L364 PolarHBondContact O-N 2.72Å; L364-F372 HydrophobicContact CD2-CD1 4.04Å; L364-F372 HydrophobicContact CD2-CE1 3.65Å; L364-L376 HydrophobicContact CD2-CD1 3.57Å; L364-V381 HydrophobicContact CB-CG1 4.39Å; L364-V381 HydrophobicContact CD2-CG2 4.31Å; L364-I384 HydrophobicContact CD1-CB 4.19Å; L364-I384 HydrophobicContact CD1-CD1 3.75Å; L364-I384 HydrophobicContact CD1-CG2 3.68Å |
| 365 | H | 79.5 | Confident | 75.8 | Confident | 65 Ų | 65 | 63.3 Ų | 63.3 | 30% | 0.301 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -69.9 | 140.6 | 178.3 | -162.1 | -95.2 | 0 | 0 | 0 | 110.9 | Y360 R361 D367 V368 | Y360-H365 AromaticContact CE1-CD2 3.93Å; Y360-H365 PolarHBondContact O-N 2.98Å; R361-H365 WeakPolarHBondContact O-CB 3.36Å; H365-D367 IonicContact CE1-OD2 3.02Å; H365-D367 PolarHBondContact CE1-OD2 2.71Å; H365-D367 PolarHBondContact ND1-N 2.83Å; H365-D367 IonicContact ND1-OD2 3.32Å; H365-D367 PolarHBondContact ND1-OD2 3.41Å; H365-D367 VanDerWaalsContact ND1-OD2 3.11Å; H365-D367 PolarHBondContact O-N 3.1Å; H365-V368 PolarHBondContact O-N 3.35Å |
| 366 | A | 69.2 | Low | 75.3 | Confident | 80 Ų | 80 | 61.8 Ų | 61.8 | 66% | 0.661 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -23.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 367 | D | 65.3 | Low | 74.9 | Confident | 138 Ų | 138 | 64.6 Ų | 64.6 | 74% | 0.738 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -18.1 | -174.9 | -61.7 | -22.8 | 0 | 0 | 0 | 114.7 | H365 | H365-D367 IonicContact CE1-OD2 3.02Å; H365-D367 PolarHBondContact CE1-OD2 2.71Å; H365-D367 PolarHBondContact ND1-N 2.83Å; H365-D367 IonicContact ND1-OD2 3.32Å; H365-D367 PolarHBondContact ND1-OD2 3.41Å; H365-D367 VanDerWaalsContact ND1-OD2 3.11Å; H365-D367 PolarHBondContact O-N 3.1Å |
| 368 | V | 61.8 | Low | 74.5 | Confident | 93 Ų | 93 | 63.7 Ų | 63.7 | 56% | 0.564 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -23 | -169.3 | -172.5 | 0 | 0 | 0 | 0 | 113.4 | R361 N362 H365 | R361-V368 WeakPolarHBondContact O-CG2 3.1Å; N362-V368 WeakPolarHBondContact O-CG1 3.45Å; H365-V368 PolarHBondContact O-N 3.35Å |
| 369 | G | 55 | Low | 74.4 | Confident | 28 Ų | 28 | 64.3 Ų | 64.3 | 29% | 0.289 | 38% | 0.375 | S | S | . | . | trans | 151.8 | 123.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S371 F372 | G369-S371 PolarHBondContact O-N 3.1Å; G369-F372 PolarHBondContact O-N 3.44Å | ||
| 370 | E | 56.9 | Low | 74.3 | Confident | 155 Ų | 155 | 65.4 Ų | 65.4 | 72% | 0.724 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -54.3 | -24.2 | 177.8 | -65.9 | 179.8 | 160.3 | 0 | 0 | 113.1 | F372 N374 | E370-F372 PolarHBondContact O-N 3.09Å; E370-N374 VanDerWaalsContact O-CB 3.32Å; E370-N374 WeakPolarHBondContact O-CB 3.12Å; E370-N374 PolarHBondContact O-N 3.41Å; E370-N374 PolarHBondContact O-ND2 3.08Å; E370-N374 VanDerWaalsContact O-ND2 3.13Å; E370-N374 PolarHBondContact O-OD1 3.29Å |
| 371 | S | 63 | Low | 74.2 | Confident | 93 Ų | 93 | 64.8 Ų | 64.8 | 65% | 0.65 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -64.8 | -37.6 | -175.3 | 60.4 | 0 | 0 | 0 | 0 | 114.6 | G369 | G369-S371 PolarHBondContact O-N 3.1Å |
| 372 | F | 68.1 | Low | 74.2 | Confident | 10 Ų | 10 | 64.6 Ų | 64.6 | 4% | 0.044 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -78.3 | -42.3 | 179.1 | -172.2 | -86.8 | 0 | 0 | 0 | 110.9 | V320 F321 F324 Y363 L364 G369 E370 N374 C375 L376 V410 | V320-F372 HydrophobicContact CG1-CD2 4.06Å; V320-F372 HydrophobicContact CG1-CE2 4.46Å; F321-F372 AromaticContact CD1-CD2 3.49Å; F321-F372 HydrophobicContact CD1-CD2 3.49Å; F321-F372 VanDerWaalsContact CD1-CD2 3.49Å; F321-F372 AromaticContact CD1-CE2 3.2Å; F321-F372 HydrophobicContact CD1-CE2 3.2Å; F321-F372 HydrophobicContact CD1-CZ 4.24Å; F321-F372 AromaticContact CE1-CD2 3.27Å; F321-F372 HydrophobicContact CE1-CD2 3.27Å; F321-F372 AromaticContact CE1-CE2 3.43Å; F321-F372 HydrophobicContact CE1-CE2 3.43Å; F321-F372 VanDerWaalsContact CE1-CE2 3.43Å; F321-F372 HydrophobicContact CE1-CG 4.19Å; F321-F372 HydrophobicContact CE1-CZ 4.41Å; F321-F372 HydrophobicContact CG-CD2 4.36Å; F321-F372 HydrophobicContact CG-CE2 4.17Å; F321-F372 HydrophobicContact CZ-CD2 4.04Å; F324-F372 HydrophobicContact CB-CE2 4.02Å; F324-F372 HydrophobicContact CB-CZ 3.87Å; F324-F372 AromaticContact CD1-CZ 3.84Å; F324-F372 HydrophobicContact CD1-CZ 3.84Å; F324-F372 HydrophobicContact CD2-CE1 4.11Å; F324-F372 AromaticContact CD2-CZ 3.64Å; F324-F372 HydrophobicContact CD2-CZ 3.64Å; F324-F372 HydrophobicContact CE1-CZ 4.29Å; F324-F372 HydrophobicContact CE2-CE1 4.28Å; F324-F372 HydrophobicContact CE2-CZ 4.09Å; F324-F372 HydrophobicContact CG-CE1 4.4Å; F324-F372 HydrophobicContact CG-CE2 4.14Å; F324-F372 AromaticContact CG-CZ 3.49Å; F324-F372 HydrophobicContact CG-CZ 3.49Å; F324-F372 VanDerWaalsContact CG-CZ 3.49Å; F324-F372 HydrophobicContact CZ-CZ 4.41Å; Y363-F372 VanDerWaalsContact O-CD1 3.26Å; Y363-F372 WeakPolarHBondContact O-CD1 3.3Å; L364-F372 HydrophobicContact CD2-CD1 4.04Å; L364-F372 HydrophobicContact CD2-CE1 3.65Å; G369-F372 PolarHBondContact O-N 3.44Å; E370-F372 PolarHBondContact O-N 3.09Å; F372-N374 VanDerWaalsContact C-N 3.29Å; F372-N374 PolarHBondContact O-N 2.71Å; F372-C375 VanDerWaalsContact O-CB 3.3Å; F372-C375 WeakPolarHBondContact O-CB 3.25Å; F372-C375 PolarHBondContact O-N 2.94Å; F372-C375 VanDerWaalsContact O-N 3.08Å; F372-L376 HydrophobicContact CD1-CD1 4.34Å; F372-L376 HydrophobicContact CE1-CD1 3.65Å; F372-L376 HydrophobicContact CZ-CD1 4.34Å; F372-V410 HydrophobicContact CZ-CG2 4.28Å |
| 373 | V | 61.8 | Low | 74.2 | Confident | 38 Ų | 38 | 63.3 Ų | 63.3 | 23% | 0.23 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.7 | -38.6 | 179.3 | -179 | 0 | 0 | 0 | 0 | 111.1 | C375 L376 V381 | V373-C375 PolarHBondContact O-N 3Å; V373-L376 PolarHBondContact O-N 2.81Å; V373-V381 HydrophobicContact CG1-CG2 4.39Å |
| 374 | N | 69.1 | Low | 74.4 | Confident | 128 Ų | 128 | 61.7 Ų | 61.7 | 68% | 0.684 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -20.7 | 177 | -71.3 | -17.9 | 0 | 0 | 0 | 114 | E370 F372 | E370-N374 VanDerWaalsContact O-CB 3.32Å; E370-N374 WeakPolarHBondContact O-CB 3.12Å; E370-N374 PolarHBondContact O-N 3.41Å; E370-N374 PolarHBondContact O-ND2 3.08Å; E370-N374 VanDerWaalsContact O-ND2 3.13Å; E370-N374 PolarHBondContact O-OD1 3.29Å; F372-N374 VanDerWaalsContact C-N 3.29Å; F372-N374 PolarHBondContact O-N 2.71Å |
| 375 | C | 69.7 | Low | 74.7 | Confident | 38 Ų | 38 | 65.7 Ų | 65.7 | 26% | 0.257 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -31.2 | 175.7 | -171 | 0 | 0 | 0 | 0 | 111.8 | F321 F372 V373 H409 | F321-C375 HydrophobicContact CE1-CB 4.16Å; F321-C375 HydrophobicContact CZ-CB 4.31Å; F372-C375 VanDerWaalsContact O-CB 3.3Å; F372-C375 WeakPolarHBondContact O-CB 3.25Å; F372-C375 PolarHBondContact O-N 2.94Å; F372-C375 VanDerWaalsContact O-N 3.08Å; V373-C375 PolarHBondContact O-N 3Å; C375-H409 PolarHBondContact O-NE2 2.76Å |
| 376 | L | 79.1 | Confident | 75.2 | Confident | 9 Ų | 9 | 65.4 Ų | 65.4 | 5% | 0.047 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -96.4 | 151.9 | -179.6 | -67.3 | 169.6 | 0 | 0 | 0 | 110.5 | L364 F372 V373 V381 A406 H409 V410 | L364-L376 HydrophobicContact CD2-CD1 3.57Å; F372-L376 HydrophobicContact CD1-CD1 4.34Å; F372-L376 HydrophobicContact CE1-CD1 3.65Å; F372-L376 HydrophobicContact CZ-CD1 4.34Å; V373-L376 PolarHBondContact O-N 2.81Å; L376-V381 HydrophobicContact CB-CG2 3.97Å; L376-A406 HydrophobicContact CD2-CB 4.23Å; L376-H409 HydrophobicContact CD2-CB 4.17Å; L376-V410 HydrophobicContact CD2-CG2 4.47Å |
| 377 | S | 81.5 | Confident | 76.1 | Confident | 62 Ų | 62 | 61.7 Ų | 61.7 | 43% | 0.434 | 37% | 0.372 | S | S | . | . | trans | -67 | 138.3 | 172.8 | 68.8 | 0 | 0 | 0 | 0 | 110.4 | A379 L380 V381 | S377-A379 PolarHBondContact O-N 3.32Å; S377-A379 VanDerWaalsContact O-N 3.08Å; S377-L380 WeakPolarHBondContact O-CB 3.48Å; S377-L380 PolarHBondContact O-N 3.05Å; S377-L380 WeakPolarHBondContact OG-CD1 3.3Å; S377-L380 VanDerWaalsContact OG-CG 3.26Å; S377-L380 WeakPolarHBondContact OG-CG 3.36Å; S377-L380 PolarHBondContact OG-N 3.29Å; S377-V381 PolarHBondContact O-N 3.49Å | ||
| 378 | S | 81.8 | Confident | 77.2 | Confident | 82 Ų | 82 | 55.3 Ų | 55.3 | 57% | 0.573 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -50.5 | -37.8 | 177.4 | -166.7 | 0 | 0 | 0 | 0 | 112 | L380 V381 E382 | S378-L380 PolarHBondContact O-N 2.79Å; S378-V381 PolarHBondContact O-N 3.09Å; S378-E382 WeakPolarHBondContact O-CB 3.45Å; S378-E382 WeakPolarHBondContact O-CG 2.73Å; S378-E382 PolarHBondContact O-N 2.83Å; S378-E382 PolarHBondContact OG-OE1 2.91Å; S378-E382 VanDerWaalsContact OG-OE1 3.12Å |
| 379 | A | 85.5 | Confident | 78.5 | Confident | 69 Ų | 69 | 57.3 Ų | 57.3 | 57% | 0.57 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -62.5 | -36.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S377 A383 | S377-A379 PolarHBondContact O-N 3.32Å; S377-A379 VanDerWaalsContact O-N 3.08Å; A379-A383 VanDerWaalsContact O-CB 3.3Å; A379-A383 WeakPolarHBondContact O-CB 3.25Å; A379-A383 PolarHBondContact O-N 2.91Å |
| 380 | L | 86.4 | Confident | 80.1 | Confident | 32 Ų | 32 | 56.6 Ų | 56.6 | 17% | 0.168 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -70.8 | -41.5 | 176.5 | -76 | 172.6 | 0 | 0 | 0 | 111.4 | S377 S378 E382 A383 I384 | S377-L380 WeakPolarHBondContact O-CB 3.48Å; S377-L380 PolarHBondContact O-N 3.05Å; S377-L380 WeakPolarHBondContact OG-CD1 3.3Å; S377-L380 VanDerWaalsContact OG-CG 3.26Å; S377-L380 WeakPolarHBondContact OG-CG 3.36Å; S377-L380 PolarHBondContact OG-N 3.29Å; S378-L380 PolarHBondContact O-N 2.79Å; L380-E382 VanDerWaalsContact C-N 3.35Å; L380-A383 PolarHBondContact O-N 3.49Å; L380-I384 WeakPolarHBondContact O-CG1 3.25Å; L380-I384 PolarHBondContact O-N 3.29Å |
| 381 | V | 85.7 | Confident | 81.4 | Confident | 15 Ų | 15 | 53.4 Ų | 53.4 | 9% | 0.091 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 178.3 | -177.9 | 0 | 0 | 0 | 0 | 110.6 | L364 V373 L376 S377 S378 I384 K385 | L364-V381 HydrophobicContact CB-CG1 4.39Å; L364-V381 HydrophobicContact CD2-CG2 4.31Å; V373-V381 HydrophobicContact CG1-CG2 4.39Å; L376-V381 HydrophobicContact CB-CG2 3.97Å; S377-V381 PolarHBondContact O-N 3.49Å; S378-V381 PolarHBondContact O-N 3.09Å; V381-I384 PolarHBondContact O-N 3.47Å; V381-K385 WeakPolarHBondContact O-CB 3.48Å; V381-K385 PolarHBondContact O-N 2.94Å |
| 382 | E | 86.1 | Confident | 82.1 | Confident | 120 Ų | 120 | 51.7 Ų | 51.7 | 56% | 0.561 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -64.4 | -39.4 | 174.6 | -73.5 | 171 | -148.9 | 0 | 0 | 112.6 | S378 L380 K385 A386 | S378-E382 WeakPolarHBondContact O-CB 3.45Å; S378-E382 WeakPolarHBondContact O-CG 2.73Å; S378-E382 PolarHBondContact O-N 2.83Å; S378-E382 PolarHBondContact OG-OE1 2.91Å; S378-E382 VanDerWaalsContact OG-OE1 3.12Å; L380-E382 VanDerWaalsContact C-N 3.35Å; E382-K385 WeakPolarHBondContact O-CB 3.21Å; E382-K385 PolarHBondContact O-N 3.25Å; E382-A386 WeakPolarHBondContact O-CB 3.34Å; E382-A386 PolarHBondContact O-N 3.24Å |
| 383 | A | 87.3 | Confident | 82.6 | Confident | 37 Ų | 37 | 58.9 Ų | 58.9 | 31% | 0.306 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.5 | -40.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A379 L380 A386 A387 P402 | A379-A383 VanDerWaalsContact O-CB 3.3Å; A379-A383 WeakPolarHBondContact O-CB 3.25Å; A379-A383 PolarHBondContact O-N 2.91Å; L380-A383 PolarHBondContact O-N 3.49Å; A383-A386 PolarHBondContact O-N 2.87Å; A383-A387 WeakPolarHBondContact O-CB 3.43Å; A383-A387 PolarHBondContact O-N 2.93Å; A383-P402 HydrophobicContact CB-CB 4.03Å; A383-P402 HydrophobicContact CB-CG 3.91Å |
| 384 | I | 87.9 | Confident | 83.6 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.5 | -44.6 | 174.5 | -66.6 | 168.4 | 0 | 0 | 0 | 110.1 | Y360 L364 L380 V381 A386 A387 V388 I399 P402 A406 | Y360-I384 HydrophobicContact CD2-CG2 4.24Å; L364-I384 HydrophobicContact CD1-CB 4.19Å; L364-I384 HydrophobicContact CD1-CD1 3.75Å; L364-I384 HydrophobicContact CD1-CG2 3.68Å; L380-I384 WeakPolarHBondContact O-CG1 3.25Å; L380-I384 PolarHBondContact O-N 3.29Å; V381-I384 PolarHBondContact O-N 3.47Å; I384-A386 PolarHBondContact O-N 3.43Å; I384-A387 PolarHBondContact O-N 3.2Å; I384-V388 HydrophobicContact CG2-CG2 4.21Å; I384-V388 WeakPolarHBondContact O-CB 3.45Å; I384-V388 VanDerWaalsContact O-CG2 3.31Å; I384-V388 WeakPolarHBondContact O-CG2 3.37Å; I384-V388 PolarHBondContact O-N 3.16Å; I384-I399 HydrophobicContact CG2-CD1 4.1Å; I384-P402 HydrophobicContact CG1-CB 3.71Å; I384-A406 HydrophobicContact CD1-CB 3.9Å |
| 385 | K | 88.7 | Confident | 84.5 | Confident | 86 Ų | 86 | 52.1 Ų | 52.1 | 37% | 0.374 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -55.7 | -49.5 | 175 | -175.6 | -175.8 | 179.7 | 177.8 | 0 | 111.6 | Y360 V381 E382 A387 V388 E389 | Y360-K385 HydrophobicContact CD2-CB 4.43Å; Y360-K385 HydrophobicContact CE1-CG 4.38Å; Y360-K385 HydrophobicContact CE2-CB 3.68Å; Y360-K385 HydrophobicContact CE2-CG 4.08Å; Y360-K385 WeakPolarHBondContact OH-CD 3.34Å; V381-K385 WeakPolarHBondContact O-CB 3.48Å; V381-K385 PolarHBondContact O-N 2.94Å; E382-K385 WeakPolarHBondContact O-CB 3.21Å; E382-K385 PolarHBondContact O-N 3.25Å; K385-A387 VanDerWaalsContact C-N 3.28Å; K385-A387 PolarHBondContact O-N 2.85Å; K385-V388 PolarHBondContact O-N 3.42Å; K385-E389 WeakPolarHBondContact CE-OE1 3.42Å; K385-E389 WeakPolarHBondContact O-CB 3.44Å; K385-E389 WeakPolarHBondContact O-CG 3.41Å; K385-E389 PolarHBondContact O-N 2.84Å |
| 386 | A | 88.9 | Confident | 85.1 | Confident | 60 Ų | 60 | 51.6 Ų | 51.6 | 50% | 0.496 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.2 | -32 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | E382 A383 I384 A390 | E382-A386 WeakPolarHBondContact O-CB 3.34Å; E382-A386 PolarHBondContact O-N 3.24Å; A383-A386 PolarHBondContact O-N 2.87Å; I384-A386 PolarHBondContact O-N 3.43Å; A386-A390 PolarHBondContact O-N 3.35Å |
| 387 | A | 88 | Confident | 85.3 | Confident | 2 Ų | 2 | 56.5 Ų | 56.5 | 2% | 0.017 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -71.5 | -42.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A383 I384 K385 A390 F395 K398 I399 | A383-A387 WeakPolarHBondContact O-CB 3.43Å; A383-A387 PolarHBondContact O-N 2.93Å; I384-A387 PolarHBondContact O-N 3.2Å; K385-A387 VanDerWaalsContact C-N 3.28Å; K385-A387 PolarHBondContact O-N 2.85Å; A387-A390 WeakPolarHBondContact O-CB 3.3Å; A387-A390 PolarHBondContact O-N 3.06Å; A387-F395 WeakPolarHBondContact O-CD2 3.41Å; A387-K398 HydrophobicContact CB-CB 3.82Å; A387-I399 HydrophobicContact CB-CB 4.02Å; A387-I399 HydrophobicContact CB-CD1 3.63Å; A387-I399 HydrophobicContact CB-CG1 4.43Å |
| 388 | V | 88.8 | Confident | 85.6 | Confident | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.024 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.8 | -35.6 | 179.2 | 167.4 | 0 | 0 | 0 | 0 | 112 | H353 A356 W357 I384 K385 A390 I399 | H353-V388 PolarHBondContact NE2-O 3.42Å; A356-V388 HydrophobicContact CB-CG2 4.41Å; W357-V388 HydrophobicContact CB-CG1 3.81Å; W357-V388 HydrophobicContact CG-CG1 3.74Å; I384-V388 HydrophobicContact CG2-CG2 4.21Å; I384-V388 WeakPolarHBondContact O-CB 3.45Å; I384-V388 VanDerWaalsContact O-CG2 3.31Å; I384-V388 WeakPolarHBondContact O-CG2 3.37Å; I384-V388 PolarHBondContact O-N 3.16Å; K385-V388 PolarHBondContact O-N 3.42Å; V388-A390 PolarHBondContact O-N 3Å; V388-I399 HydrophobicContact CG2-CD1 3.93Å |
| 389 | E | 89.6 | Confident | 85.9 | Confident | 134 Ų | 134 | 54.4 Ų | 54.4 | 63% | 0.626 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -5.9 | 175.1 | -69.9 | 176.7 | 179.2 | 0 | 0 | 113.6 | K385 | K385-E389 WeakPolarHBondContact CE-OE1 3.42Å; K385-E389 WeakPolarHBondContact O-CB 3.44Å; K385-E389 WeakPolarHBondContact O-CG 3.41Å; K385-E389 PolarHBondContact O-N 2.84Å |
| 390 | A | 87.7 | Confident | 86 | Confident | 13 Ų | 13 | 53.4 Ų | 53.4 | 11% | 0.107 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -71.8 | 163.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | H353 A386 A387 V388 K398 | H353-A390 PolarHBondContact CE1-O 2.92Å; A386-A390 PolarHBondContact O-N 3.35Å; A387-A390 WeakPolarHBondContact O-CB 3.3Å; A387-A390 PolarHBondContact O-N 3.06Å; V388-A390 PolarHBondContact O-N 3Å; A390-K398 HydrophobicContact CB-CD 3.6Å |
| 391 | D | 84.5 | Confident | 86.1 | Confident | 89 Ų | 89 | 62.1 Ų | 62.1 | 48% | 0.476 | 32% | 0.322 | S | S | . | . | trans | -63.2 | 145.3 | 171.2 | 59.1 | -59.2 | 0 | 0 | 0 | 111.7 | Q393 S394 F395 K398 | D391-Q393 PolarHBondContact O-N 3.38Å; D391-S394 PolarHBondContact O-N 3.05Å; D391-S394 WeakPolarHBondContact OD1-CB 3.35Å; D391-S394 PolarHBondContact OD1-OG 3.01Å; D391-S394 PolarHBondContact OD2-N 3.49Å; D391-F395 PolarHBondContact O-N 3.35Å; D391-K398 IonicContact OD1-NZ 3.17Å | ||
| 392 | S | 78.1 | Confident | 86.3 | Confident | 57 Ų | 57 | 62.3 Ų | 62.3 | 40% | 0.399 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -18.9 | -175.4 | -49.4 | 0 | 0 | 0 | 0 | 114.2 | I349 H353 | I349-S392 VanDerWaalsContact CG2-O 3.24Å; I349-S392 WeakPolarHBondContact CG2-O 3.33Å; H353-S392 PolarHBondContact ND1-OG 3.13Å |
| 393 | Q | 79.2 | Confident | 86.6 | Confident | 161 Ų | 161 | 56.7 Ų | 56.7 | 75% | 0.752 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -37.7 | 175 | -64.1 | -175 | 7.2 | 0 | 0 | 112.6 | D391 | D391-Q393 PolarHBondContact O-N 3.38Š|
| 394 | S | 82.5 | Confident | 86.6 | Confident | 23 Ų | 23 | 56.8 Ų | 56.8 | 16% | 0.161 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -14.3 | 179 | 81.3 | 0 | 0 | 0 | 0 | 114 | D391 T397 K398 | D391-S394 PolarHBondContact O-N 3.05Å; D391-S394 WeakPolarHBondContact OD1-CB 3.35Å; D391-S394 PolarHBondContact OD1-OG 3.01Å; D391-S394 PolarHBondContact OD2-N 3.49Å; S394-T397 PolarHBondContact O-N 3.41Å; S394-T397 PolarHBondContact O-OG1 3.14Å; S394-K398 WeakPolarHBondContact O-CG 3.18Å; S394-K398 PolarHBondContact O-N 3.28Å; S394-K398 VanDerWaalsContact O-N 3.16Å; S394-K398 VanDerWaalsContact OG-CE 3.31Å; S394-K398 WeakPolarHBondContact OG-CE 3.36Å; S394-K398 PolarHBondContact OG-NZ 3.3Å |
| 395 | F | 87 | Confident | 86.7 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -49.5 | -52.2 | 178.7 | 163.7 | -99 | 0 | 0 | 0 | 113.9 | L335 V352 H353 A356 A387 D391 T397 K398 I399 | L335-F395 HydrophobicContact CD2-CE1 4.44Å; V352-F395 HydrophobicContact CG1-CE1 4.21Å; H353-F395 HydrophobicContact CB-CD1 3.76Å; H353-F395 HydrophobicContact CB-CE1 3.93Å; H353-F395 HydrophobicContact CB-CG 4.1Å; H353-F395 HydrophobicContact CB-CZ 4.39Å; H353-F395 AromaticContact CD2-CD1 3.99Å; H353-F395 AromaticContact CD2-CD2 3.21Å; H353-F395 WeakPolarHBondContact CD2-CD2 3.21Å; H353-F395 AromaticContact CD2-CE2 3.59Å; H353-F395 AromaticContact CD2-CG 3.44Å; H353-F395 VanDerWaalsContact CD2-CG 3.44Å; H353-F395 WeakPolarHBondContact CD2-CG 3.39Å; H353-F395 AromaticContact CG-CD1 3.95Å; H353-F395 AromaticContact CG-CD2 3.99Å; H353-F395 AromaticContact CG-CG 3.75Å; H353-F395 AromaticContact NE2-CD2 3.72Å; H353-F395 AromaticContact NE2-CG 3.99Å; A356-F395 HydrophobicContact CB-CE2 3.65Å; A356-F395 HydrophobicContact CB-CZ 3.39Å; A387-F395 WeakPolarHBondContact O-CD2 3.41Å; D391-F395 PolarHBondContact O-N 3.35Å; F395-T397 VanDerWaalsContact C-N 3.29Å; F395-T397 PolarHBondContact O-N 2.9Å; F395-K398 PolarHBondContact O-N 2.85Å; F395-K398 VanDerWaalsContact O-N 3.14Å; F395-I399 HydrophobicContact CD2-CB 4.12Å; F395-I399 HydrophobicContact CD2-CG2 4.34Å; F395-I399 HydrophobicContact CE1-CG2 4.06Å; F395-I399 HydrophobicContact CE2-CB 3.67Å; F395-I399 HydrophobicContact CE2-CD1 4.01Å; F395-I399 HydrophobicContact CE2-CG1 3.72Å; F395-I399 HydrophobicContact CE2-CG2 3.86Å; F395-I399 HydrophobicContact CZ-CB 4.02Å; F395-I399 HydrophobicContact CZ-CG1 4Å; F395-I399 HydrophobicContact CZ-CG2 3.69Å; F395-I399 WeakPolarHBondContact O-CB 3.25Å; F395-I399 VanDerWaalsContact O-CG2 3.31Å; F395-I399 WeakPolarHBondContact O-CG2 3.13Å; F395-I399 PolarHBondContact O-N 3.46Å |
| 396 | P | 83 | Confident | 86.7 | Confident | 27 Ų | 27 | 55 Ų | 55 | 18% | 0.175 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.8 | -39.1 | -175.4 | -27 | 36.4 | 0 | 0 | 0 | 113.6 | L335 I349 L400 | L335-P396 HydrophobicContact CD2-CB 4.02Å; I349-P396 HydrophobicContact CG2-CG 3.88Å; P396-L400 WeakPolarHBondContact O-CB 3.29Å; P396-L400 PolarHBondContact O-N 3.48Å |
| 397 | T | 83.6 | Confident | 86.8 | Confident | 113 Ų | 113 | 53.6 Ų | 53.6 | 69% | 0.693 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -78.8 | -29.7 | -178.7 | 56.5 | 0 | 0 | 0 | 0 | 112.7 | S394 F395 | S394-T397 PolarHBondContact O-N 3.41Å; S394-T397 PolarHBondContact O-OG1 3.14Å; F395-T397 VanDerWaalsContact C-N 3.29Å; F395-T397 PolarHBondContact O-N 2.9Å |
| 398 | K | 87 | Confident | 86.7 | Confident | 98 Ų | 98 | 57.7 Ų | 57.7 | 43% | 0.426 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -78.9 | -35.3 | 178.2 | -73.7 | 176.2 | 177.4 | 167 | 0 | 113.2 | A387 A390 D391 S394 F395 P402 | A387-K398 HydrophobicContact CB-CB 3.82Å; A390-K398 HydrophobicContact CB-CD 3.6Å; D391-K398 IonicContact OD1-NZ 3.17Å; S394-K398 WeakPolarHBondContact O-CG 3.18Å; S394-K398 PolarHBondContact O-N 3.28Å; S394-K398 VanDerWaalsContact O-N 3.16Å; S394-K398 VanDerWaalsContact OG-CE 3.31Å; S394-K398 WeakPolarHBondContact OG-CE 3.36Å; S394-K398 PolarHBondContact OG-NZ 3.3Å; F395-K398 PolarHBondContact O-N 2.85Å; F395-K398 VanDerWaalsContact O-N 3.14Å; K398-P402 WeakPolarHBondContact O-CD 2.9Å; K398-P402 WeakPolarHBondContact O-CG 3.47Å |
| 399 | I | 89 | Confident | 86.7 | Confident | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -81.4 | -32.2 | -174.4 | -163 | 70.4 | 0 | 0 | 0 | 112.9 | L335 I384 A387 V388 F395 R401 P402 L403 | L335-I399 HydrophobicContact CD1-CG2 3.58Å; I384-I399 HydrophobicContact CG2-CD1 4.1Å; A387-I399 HydrophobicContact CB-CB 4.02Å; A387-I399 HydrophobicContact CB-CD1 3.63Å; A387-I399 HydrophobicContact CB-CG1 4.43Å; V388-I399 HydrophobicContact CG2-CD1 3.93Å; F395-I399 HydrophobicContact CD2-CB 4.12Å; F395-I399 HydrophobicContact CD2-CG2 4.34Å; F395-I399 HydrophobicContact CE1-CG2 4.06Å; F395-I399 HydrophobicContact CE2-CB 3.67Å; F395-I399 HydrophobicContact CE2-CD1 4.01Å; F395-I399 HydrophobicContact CE2-CG1 3.72Å; F395-I399 HydrophobicContact CE2-CG2 3.86Å; F395-I399 HydrophobicContact CZ-CB 4.02Å; F395-I399 HydrophobicContact CZ-CG1 4Å; F395-I399 HydrophobicContact CZ-CG2 3.69Å; F395-I399 WeakPolarHBondContact O-CB 3.25Å; F395-I399 VanDerWaalsContact O-CG2 3.31Å; F395-I399 WeakPolarHBondContact O-CG2 3.13Å; F395-I399 PolarHBondContact O-N 3.46Å; I399-R401 PolarHBondContact O-N 3.31Å; I399-P402 WeakPolarHBondContact O-CD 3.29Å; I399-L403 HydrophobicContact CG1-CB 4.25Å; I399-L403 HydrophobicContact CG1-CD2 4.35Å; I399-L403 WeakPolarHBondContact O-CB 3.16Å; I399-L403 PolarHBondContact O-N 3.43Å |
| 400 | L | 87.5 | Confident | 86.6 | Confident | 48 Ų | 48 | 55.3 Ų | 55.3 | 25% | 0.251 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -55.5 | -55 | -168.6 | -175.9 | 65.5 | 0 | 0 | 0 | 112.5 | L332 P396 C404 | L332-L400 HydrophobicContact CD2-CD1 3.94Å; P396-L400 WeakPolarHBondContact O-CB 3.29Å; P396-L400 PolarHBondContact O-N 3.48Å; L400-C404 WeakPolarHBondContact O-CB 3.44Å; L400-C404 PolarHBondContact O-N 3.43Å; L400-C404 PolarHBondContact O-SG 2.96Å |
| 401 | R | 89.1 | Confident | 86.6 | Confident | 215 Ų | 215 | 56.8 Ų | 56.8 | 81% | 0.811 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -67.6 | -48.3 | -176.6 | -178.7 | -179.3 | -175.3 | 174.9 | 2.9 | 113.4 | I399 L403 S405 | I399-R401 PolarHBondContact O-N 3.31Å; R401-L403 VanDerWaalsContact C-N 3.35Å; R401-L403 PolarHBondContact O-N 3.08Å; R401-S405 WeakPolarHBondContact O-CB 3.33Å; R401-S405 PolarHBondContact O-N 3.18Å |
| 402 | P | 89.9 | Confident | 86.6 | Confident | 18 Ų | 18 | 55.9 Ų | 55.9 | 12% | 0.117 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 175.2 | -25.5 | 35.1 | 0 | 0 | 0 | 113.4 | A383 I384 K398 I399 S405 A406 | A383-P402 HydrophobicContact CB-CB 4.03Å; A383-P402 HydrophobicContact CB-CG 3.91Å; I384-P402 HydrophobicContact CG1-CB 3.71Å; K398-P402 WeakPolarHBondContact O-CD 2.9Å; K398-P402 WeakPolarHBondContact O-CG 3.47Å; I399-P402 WeakPolarHBondContact O-CD 3.29Å; P402-S405 PolarHBondContact O-N 2.78Å; P402-A406 WeakPolarHBondContact O-CB 3.5Å; P402-A406 PolarHBondContact O-N 2.91Å |
| 403 | L | 90.8 | Very high | 86.9 | Confident | 3 Ų | 3 | 54.8 Ų | 54.8 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.8 | -42 | -179.2 | -173.7 | 63 | 0 | 0 | 0 | 111.9 | A328 I331 L332 L359 I399 R401 S405 A406 Y407 | A328-L403 HydrophobicContact CB-CD1 3.88Å; A328-L403 HydrophobicContact CB-CG 4.4Å; I331-L403 HydrophobicContact CB-CD2 4.06Å; I331-L403 HydrophobicContact CG2-CD2 3.61Å; L332-L403 HydrophobicContact CD1-CG 4.38Å; L332-L403 HydrophobicContact CD2-CB 4.21Å; L332-L403 HydrophobicContact CD2-CD2 3.81Å; L332-L403 HydrophobicContact CD2-CG 4.01Å; L332-L403 HydrophobicContact CG-CD2 3.86Å; L332-L403 HydrophobicContact CG-CG 4.08Å; L359-L403 HydrophobicContact CD1-CD1 4.4Å; I399-L403 HydrophobicContact CG1-CB 4.25Å; I399-L403 HydrophobicContact CG1-CD2 4.35Å; I399-L403 WeakPolarHBondContact O-CB 3.16Å; I399-L403 PolarHBondContact O-N 3.43Å; R401-L403 VanDerWaalsContact C-N 3.35Å; R401-L403 PolarHBondContact O-N 3.08Å; L403-S405 VanDerWaalsContact C-N 3.34Å; L403-S405 PolarHBondContact O-N 2.9Å; L403-A406 PolarHBondContact O-N 3.35Å; L403-Y407 VanDerWaalsContact O-CB 3.32Å; L403-Y407 WeakPolarHBondContact O-CB 3.36Å; L403-Y407 PolarHBondContact O-N 3.48Å |
| 404 | C | 89.1 | Confident | 87.2 | Confident | 39 Ų | 39 | 47.3 Ų | 47.3 | 26% | 0.264 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.4 | -46.5 | 171.4 | -70.6 | 0 | 0 | 0 | 0 | 111.2 | L332 L400 A406 Y407 D408 | L332-C404 VanDerWaalsContact CD2-SG 3.53Å; L400-C404 WeakPolarHBondContact O-CB 3.44Å; L400-C404 PolarHBondContact O-N 3.43Å; L400-C404 PolarHBondContact O-SG 2.96Å; C404-A406 VanDerWaalsContact C-N 3.31Å; C404-A406 PolarHBondContact O-N 3.21Å; C404-Y407 WeakPolarHBondContact O-CB 3.26Å; C404-Y407 PolarHBondContact O-N 3.5Å; C404-D408 WeakPolarHBondContact O-CB 3.49Å; C404-D408 PolarHBondContact O-N 3.23Å |
| 405 | S | 88.9 | Confident | 87.3 | Confident | 50 Ų | 50 | 48.8 Ų | 48.8 | 35% | 0.35 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.5 | -35.6 | 179.1 | -175.1 | 0 | 0 | 0 | 0 | 113 | R401 P402 L403 H409 | R401-S405 WeakPolarHBondContact O-CB 3.33Å; R401-S405 PolarHBondContact O-N 3.18Å; P402-S405 PolarHBondContact O-N 2.78Å; L403-S405 VanDerWaalsContact C-N 3.34Å; L403-S405 PolarHBondContact O-N 2.9Å; S405-H409 WeakPolarHBondContact O-CB 3.35Å; S405-H409 PolarHBondContact O-N 3.47Å; S405-H409 VanDerWaalsContact O-N 3.17Å |
| 406 | A | 88.9 | Confident | 86.9 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -72.9 | -40.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | F324 L376 I384 P402 L403 C404 H409 V410 | F324-A406 HydrophobicContact CE1-CB 4.45Å; F324-A406 HydrophobicContact CZ-CB 3.96Å; L376-A406 HydrophobicContact CD2-CB 4.23Å; I384-A406 HydrophobicContact CD1-CB 3.9Å; P402-A406 WeakPolarHBondContact O-CB 3.5Å; P402-A406 PolarHBondContact O-N 2.91Å; L403-A406 PolarHBondContact O-N 3.35Å; C404-A406 VanDerWaalsContact C-N 3.31Å; C404-A406 PolarHBondContact O-N 3.21Å; A406-H409 PolarHBondContact O-N 2.97Å; A406-V410 WeakPolarHBondContact O-CG2 3.45Å; A406-V410 PolarHBondContact O-N 2.68Å |
| 407 | Y | 90.1 | Very high | 86.8 | Confident | 30 Ų | 30 | 56.1 Ų | 56.1 | 12% | 0.118 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.1 | -52.3 | 172.3 | 176.1 | -89.5 | 0 | 0 | 0 | 110.7 | L325 A328 R329 L332 L403 C404 H409 V410 Y411 | L325-Y407 HydrophobicContact CD1-CE2 4.29Å; L325-Y407 HydrophobicContact CD2-CE2 3.64Å; L325-Y407 HydrophobicContact CG-CD2 3.95Å; L325-Y407 HydrophobicContact CG-CE2 3.51Å; A328-Y407 HydrophobicContact CB-CD2 4.16Å; R329-Y407 HydrophobicContact CB-CE2 3.92Å; L332-Y407 HydrophobicContact CD1-CD2 4.43Å; L332-Y407 HydrophobicContact CD1-CG 4.18Å; L403-Y407 VanDerWaalsContact O-CB 3.32Å; L403-Y407 WeakPolarHBondContact O-CB 3.36Å; L403-Y407 PolarHBondContact O-N 3.48Å; C404-Y407 WeakPolarHBondContact O-CB 3.26Å; C404-Y407 PolarHBondContact O-N 3.5Å; Y407-H409 VanDerWaalsContact C-N 3.28Å; Y407-H409 PolarHBondContact O-N 2.93Å; Y407-V410 PolarHBondContact O-N 3.39Å; Y407-Y411 HydrophobicContact CE1-CD2 4.19Å; Y407-Y411 WeakPolarHBondContact O-CB 3.35Å; Y407-Y411 PolarHBondContact O-N 3.38Å |
| 408 | D | 87.6 | Confident | 86.7 | Confident | 88 Ų | 88 | 53.3 Ų | 53.3 | 47% | 0.471 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.9 | -39.3 | -179.5 | -69.2 | -20.1 | 0 | 0 | 0 | 111.7 | C404 T412 | C404-D408 WeakPolarHBondContact O-CB 3.49Å; C404-D408 PolarHBondContact O-N 3.23Å; D408-T412 VanDerWaalsContact O-CB 3.24Å; D408-T412 WeakPolarHBondContact O-CB 3.08Å; D408-T412 PolarHBondContact O-N 3.11Å; D408-T412 PolarHBondContact O-OG1 2.86Å |
| 409 | H | 88.2 | Confident | 86.5 | Confident | 88 Ų | 88 | 48.9 Ų | 48.9 | 41% | 0.407 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.5 | -48.1 | 178.1 | -167.7 | 73 | 0 | 0 | 0 | 112.2 | C375 L376 S405 A406 Y407 T412 M413 | C375-H409 PolarHBondContact O-NE2 2.76Å; L376-H409 HydrophobicContact CD2-CB 4.17Å; S405-H409 WeakPolarHBondContact O-CB 3.35Å; S405-H409 PolarHBondContact O-N 3.47Å; S405-H409 VanDerWaalsContact O-N 3.17Å; A406-H409 PolarHBondContact O-N 2.97Å; Y407-H409 VanDerWaalsContact C-N 3.28Å; Y407-H409 PolarHBondContact O-N 2.93Å; H409-T412 PolarHBondContact O-N 3.34Å; H409-M413 VanDerWaalsContact O-CB 3.31Å; H409-M413 WeakPolarHBondContact O-CB 3.45Å; H409-M413 PolarHBondContact O-N 3.08Å |
| 410 | V | 87.4 | Confident | 86 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68 | -39.5 | 178.4 | 177 | 0 | 0 | 0 | 0 | 111 | F321 F324 L325 F372 L376 A406 Y407 M413 L414 | F321-V410 HydrophobicContact CB-CG1 3.94Å; F321-V410 HydrophobicContact CD1-CG1 3.99Å; F321-V410 HydrophobicContact CD1-CG2 4.4Å; F321-V410 HydrophobicContact CG-CG1 4.4Å; F324-V410 HydrophobicContact CD1-CB 4.21Å; F324-V410 HydrophobicContact CD1-CG1 4.22Å; F324-V410 HydrophobicContact CD1-CG2 3.85Å; F324-V410 HydrophobicContact CE1-CB 4.29Å; F324-V410 HydrophobicContact CE1-CG2 3.77Å; L325-V410 HydrophobicContact CB-CG1 4.47Å; L325-V410 HydrophobicContact CD1-CG1 4.32Å; F372-V410 HydrophobicContact CZ-CG2 4.28Å; L376-V410 HydrophobicContact CD2-CG2 4.47Å; A406-V410 WeakPolarHBondContact O-CG2 3.45Å; A406-V410 PolarHBondContact O-N 2.68Å; Y407-V410 PolarHBondContact O-N 3.39Å; V410-M413 HydrophobicContact CG1-CE 4.3Å; V410-M413 PolarHBondContact O-N 3.17Å; V410-L414 HydrophobicContact CG1-CD1 4.1Å; V410-L414 HydrophobicContact CG1-CG 4.44Å; V410-L414 WeakPolarHBondContact O-CB 3.3Å; V410-L414 WeakPolarHBondContact O-CG 3.3Å; V410-L414 PolarHBondContact O-N 2.9Å |
| 411 | Y | 88.3 | Confident | 85.5 | Confident | 43 Ų | 43 | 52.3 Ų | 52.3 | 17% | 0.169 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59 | -52 | 174.5 | -178.2 | -80 | 0 | 0 | 0 | 110.7 | L295 D296 L325 Y407 M413 L414 Q415 | L295-Y411 HydrophobicContact CB-CE2 4.05Å; L295-Y411 HydrophobicContact CD2-CD2 3.73Å; L295-Y411 HydrophobicContact CD2-CE2 3.88Å; L295-Y411 HydrophobicContact CD2-CG 4.16Å; L295-Y411 HydrophobicContact CG-CD2 4.45Å; L295-Y411 HydrophobicContact CG-CE2 4.15Å; D296-Y411 PolarHBondContact OD2-OH 2.92Å; L325-Y411 HydrophobicContact CD1-CD2 4.1Å; L325-Y411 HydrophobicContact CD1-CG 4.42Å; Y407-Y411 HydrophobicContact CE1-CD2 4.19Å; Y407-Y411 WeakPolarHBondContact O-CB 3.35Å; Y407-Y411 PolarHBondContact O-N 3.38Å; Y411-M413 VanDerWaalsContact C-N 3.3Å; Y411-M413 PolarHBondContact O-N 3.01Å; Y411-L414 PolarHBondContact O-N 2.77Å; Y411-Q415 HydrophobicContact CD1-CB 4.46Å; Y411-Q415 HydrophobicContact CE1-CB 4.28Å; Y411-Q415 VanDerWaalsContact O-CB 3.26Å; Y411-Q415 WeakPolarHBondContact O-CB 3.43Å; Y411-Q415 PolarHBondContact O-N 3.08Å |
| 412 | T | 83.8 | Confident | 85.2 | Confident | 70 Ų | 70 | 42.1 Ų | 42.1 | 43% | 0.429 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.5 | -40.3 | -179.9 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | D408 H409 N416 | D408-T412 VanDerWaalsContact O-CB 3.24Å; D408-T412 WeakPolarHBondContact O-CB 3.08Å; D408-T412 PolarHBondContact O-N 3.11Å; D408-T412 PolarHBondContact O-OG1 2.86Å; H409-T412 PolarHBondContact O-N 3.34Å; T412-N416 WeakPolarHBondContact CG2-ND2 3.45Å; T412-N416 VanDerWaalsContact O-CB 3.32Å; T412-N416 WeakPolarHBondContact O-CB 3.39Å; T412-N416 VanDerWaalsContact O-CG 3.23Å; T412-N416 PolarHBondContact O-N 3.2Å; T412-N416 PolarHBondContact O-ND2 3Å |
| 413 | M | 85.2 | Confident | 84.7 | Confident | 35 Ų | 35 | 41.7 Ų | 41.7 | 17% | 0.172 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.9 | -46.7 | 176 | -179.2 | -78 | -61.9 | 0 | 0 | 111.6 | F321 H409 V410 Y411 S417 Y418 | F321-M413 HydrophobicContact CB-CE 4Å; F321-M413 HydrophobicContact CD1-CE 3.58Å; F321-M413 HydrophobicContact CD2-CE 3.71Å; F321-M413 HydrophobicContact CE1-CE 3.95Å; F321-M413 HydrophobicContact CE2-CE 4.02Å; F321-M413 HydrophobicContact CG-CE 3.5Å; F321-M413 HydrophobicContact CZ-CE 4.17Å; H409-M413 VanDerWaalsContact O-CB 3.31Å; H409-M413 WeakPolarHBondContact O-CB 3.45Å; H409-M413 PolarHBondContact O-N 3.08Å; V410-M413 HydrophobicContact CG1-CE 4.3Å; V410-M413 PolarHBondContact O-N 3.17Å; Y411-M413 VanDerWaalsContact C-N 3.3Å; Y411-M413 PolarHBondContact O-N 3.01Å; M413-S417 WeakPolarHBondContact O-CB 3.49Å; M413-S417 PolarHBondContact O-N 2.63Å; M413-S417 PolarHBondContact O-OG 3.21Å; M413-Y418 HydrophobicContact SD-CD2 4.4Å; M413-Y418 HydrophobicContact SD-CE2 3.88Å |
| 414 | L | 85.6 | Confident | 83.9 | Confident | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.6 | -45.7 | 178 | -75.6 | 174.3 | 0 | 0 | 0 | 112.3 | L295 F321 V322 L325 V410 Y411 N416 Y418 V419 | L295-L414 HydrophobicContact CD2-CB 3.78Å; L295-L414 HydrophobicContact CD2-CD1 4.4Å; F321-L414 HydrophobicContact CB-CD1 4.22Å; F321-L414 HydrophobicContact CB-CD2 4.11Å; F321-L414 HydrophobicContact CB-CG 4.35Å; V322-L414 HydrophobicContact CG2-CD1 4.03Å; V322-L414 HydrophobicContact CG2-CD2 4.41Å; L325-L414 HydrophobicContact CD1-CD1 3.99Å; V410-L414 HydrophobicContact CG1-CD1 4.1Å; V410-L414 HydrophobicContact CG1-CG 4.44Å; V410-L414 WeakPolarHBondContact O-CB 3.3Å; V410-L414 WeakPolarHBondContact O-CG 3.3Å; V410-L414 PolarHBondContact O-N 2.9Å; Y411-L414 PolarHBondContact O-N 2.77Å; L414-N416 PolarHBondContact O-N 3.49Å; L414-Y418 HydrophobicContact CD2-CD2 3.75Å; L414-Y418 HydrophobicContact CD2-CE2 4.18Å; L414-Y418 PolarHBondContact O-N 3.44Å; L414-V419 PolarHBondContact O-N 3.08Å |
| 415 | Q | 84.3 | Confident | 83.5 | Confident | 54 Ų | 54 | 43.7 Ų | 43.7 | 25% | 0.252 | 25% | 0.251 | S | S | . | . | I | π-helix | trans | -57.6 | -47.8 | 178.2 | -179.2 | 65.9 | 34.4 | 0 | 0 | 111.2 | Y411 V419 | Y411-Q415 HydrophobicContact CD1-CB 4.46Å; Y411-Q415 HydrophobicContact CE1-CB 4.28Å; Y411-Q415 VanDerWaalsContact O-CB 3.26Å; Y411-Q415 WeakPolarHBondContact O-CB 3.43Å; Y411-Q415 PolarHBondContact O-N 3.08Å; Q415-V419 WeakPolarHBondContact O-CB 3.47Å |
| 416 | N | 78.1 | Confident | 83.1 | Confident | 118 Ų | 118 | 46.8 Ų | 46.8 | 63% | 0.631 | 26% | 0.263 | S | S | * | . | I | π-helix | trans | -79.4 | -32.8 | -175.5 | -66 | -13.3 | 0 | 0 | 0 | 113 | T412 L414 | T412-N416 WeakPolarHBondContact CG2-ND2 3.45Å; T412-N416 VanDerWaalsContact O-CB 3.32Å; T412-N416 WeakPolarHBondContact O-CB 3.39Å; T412-N416 VanDerWaalsContact O-CG 3.23Å; T412-N416 PolarHBondContact O-N 3.2Å; T412-N416 PolarHBondContact O-ND2 3Å; L414-N416 PolarHBondContact O-N 3.49Å |
| 417 | S | 79.8 | Confident | 82.8 | Confident | 63 Ų | 63 | 51.3 Ų | 51.3 | 44% | 0.441 | 28% | 0.28 | S | S | . | . | I | π-helix | trans | -95 | -30.5 | -170.8 | -46.5 | 0 | 0 | 0 | 0 | 114 | M413 P421 | M413-S417 WeakPolarHBondContact O-CB 3.49Å; M413-S417 PolarHBondContact O-N 2.63Å; M413-S417 PolarHBondContact O-OG 3.21Å; S417-P421 WeakPolarHBondContact O-CG 3.43Å |
| 418 | Y | 82.7 | Confident | 82.6 | Confident | 53 Ų | 53 | 50 Ų | 50 | 21% | 0.208 | 28% | 0.275 | C | S | . | . | I | π-helix | trans | -124.3 | -25.1 | -168.7 | -63.5 | -80.7 | 0 | 0 | 0 | 115.2 | L312 A317 M413 L414 F422 | L312-Y418 HydrophobicContact CD2-CD1 3.52Å; L312-Y418 HydrophobicContact CD2-CE1 4.16Å; L312-Y418 HydrophobicContact CD2-CG 3.74Å; A317-Y418 HydrophobicContact CB-CD1 4.18Å; A317-Y418 HydrophobicContact CB-CE1 3.47Å; A317-Y418 VanDerWaalsContact CB-CE1 3.47Å; M413-Y418 HydrophobicContact SD-CD2 4.4Å; M413-Y418 HydrophobicContact SD-CE2 3.88Å; L414-Y418 HydrophobicContact CD2-CD2 3.75Å; L414-Y418 HydrophobicContact CD2-CE2 4.18Å; L414-Y418 PolarHBondContact O-N 3.44Å; Y418-F422 WeakPolarHBondContact O-CB 3.26Å; Y418-F422 PolarHBondContact O-N 3.13Å |
| 419 | V | 83.2 | Confident | 82.2 | Confident | 5 Ų | 5 | 49.1 Ų | 49.1 | 3% | 0.03 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -68.3 | -44.3 | -177.7 | 174.1 | 0 | 0 | 0 | 0 | 111.9 | L293 L295 I298 L414 Q415 F422 C423 | L293-V419 WeakPolarHBondContact O-CG1 3.38Å; L295-V419 HydrophobicContact CB-CG2 4.05Å; L295-V419 HydrophobicContact CD1-CG2 4.12Å; I298-V419 HydrophobicContact CD1-CG1 3.95Å; I298-V419 HydrophobicContact CD1-CG2 4.23Å; L414-V419 PolarHBondContact O-N 3.08Å; Q415-V419 WeakPolarHBondContact O-CB 3.47Å; V419-F422 WeakPolarHBondContact O-CB 3.31Å; V419-F422 PolarHBondContact O-N 3.44Å; V419-C423 PolarHBondContact O-N 2.99Å; V419-C423 PolarHBondContact O-SG 2.98Å |
| 420 | A | 77.3 | Confident | 81.8 | Confident | 67 Ų | 67 | 47.9 Ų | 47.9 | 55% | 0.554 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -64.8 | -44.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F422 C423 S424 | A420-F422 VanDerWaalsContact C-N 3.32Å; A420-F422 PolarHBondContact O-N 2.99Å; A420-C423 PolarHBondContact O-N 2.84Å; A420-S424 PolarHBondContact O-N 3.47Å; A420-S424 PolarHBondContact O-OG 3.43Å; A420-S424 VanDerWaalsContact O-OG 3.05Å |
| 421 | P | 78.1 | Confident | 81.6 | Confident | 56 Ų | 56 | 50.7 Ų | 50.7 | 36% | 0.364 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.1 | -38.9 | 169.1 | -29.8 | 37.5 | 0 | 0 | 0 | 113.9 | F311 S417 S424 S425 | F311-P421 HydrophobicContact CE1-CB 4.37Å; F311-P421 HydrophobicContact CE2-CB 4.5Å; F311-P421 HydrophobicContact CZ-CB 3.67Å; S417-P421 WeakPolarHBondContact O-CG 3.43Å; P421-S424 WeakPolarHBondContact CA-OG 3.45Å; P421-S424 PolarHBondContact O-N 2.97Å; P421-S424 PolarHBondContact O-OG 3.28Å; P421-S425 PolarHBondContact O-N 2.8Å; P421-S425 VanDerWaalsContact O-N 3.11Å |
| 422 | F | 82.5 | Confident | 81.2 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.7 | -48 | 176.5 | 169.3 | -113.4 | 0 | 0 | 0 | 112.2 | I298 A307 F308 F311 Y418 V419 A420 S424 S425 F428 | I298-F422 HydrophobicContact CD1-CD1 3.72Å; I298-F422 HydrophobicContact CD1-CE1 3.91Å; I298-F422 HydrophobicContact CG1-CD1 4.47Å; I298-F422 HydrophobicContact CG1-CE1 4.16Å; A307-F422 HydrophobicContact CB-CE2 3.91Å; A307-F422 HydrophobicContact CB-CZ 3.91Å; F308-F422 HydrophobicContact CB-CD2 4.34Å; F308-F422 HydrophobicContact CB-CE1 4.34Å; F308-F422 HydrophobicContact CB-CE2 4.1Å; F308-F422 HydrophobicContact CB-CZ 4.09Å; F308-F422 HydrophobicContact CD2-CB 3.75Å; F308-F422 AromaticContact CD2-CD1 3.88Å; F308-F422 HydrophobicContact CD2-CD1 3.88Å; F308-F422 AromaticContact CD2-CD2 3.89Å; F308-F422 HydrophobicContact CD2-CD2 3.89Å; F308-F422 HydrophobicContact CD2-CE1 4.45Å; F308-F422 HydrophobicContact CD2-CE2 4.47Å; F308-F422 AromaticContact CD2-CG 3.55Å; F308-F422 HydrophobicContact CD2-CG 3.55Å; F308-F422 HydrophobicContact CE2-CB 3.96Å; F308-F422 HydrophobicContact CE2-CG 4.26Å; F311-F422 HydrophobicContact CB-CD2 3.83Å; F311-F422 HydrophobicContact CB-CE2 4.41Å; F311-F422 HydrophobicContact CD1-CB 3.81Å; F311-F422 HydrophobicContact CD1-CD2 4.1Å; F311-F422 HydrophobicContact CD1-CG 4.4Å; F311-F422 HydrophobicContact CE1-CB 3.94Å; F311-F422 HydrophobicContact CG-CB 4.34Å; F311-F422 AromaticContact CG-CD2 3.96Å; F311-F422 HydrophobicContact CG-CD2 3.96Å; Y418-F422 WeakPolarHBondContact O-CB 3.26Å; Y418-F422 PolarHBondContact O-N 3.13Å; V419-F422 WeakPolarHBondContact O-CB 3.31Å; V419-F422 PolarHBondContact O-N 3.44Å; A420-F422 VanDerWaalsContact C-N 3.32Å; A420-F422 PolarHBondContact O-N 2.99Å; F422-S424 PolarHBondContact O-N 3.48Å; F422-S424 VanDerWaalsContact O-N 3.12Å; F422-S425 WeakPolarHBondContact O-CB 3.38Å; F422-S425 PolarHBondContact O-N 3.44Å; F422-S425 PolarHBondContact O-OG 2.92Å; F422-F428 HydrophobicContact CE1-CB 4.45Å; F422-F428 AromaticContact CE1-CD2 3.77Å; F422-F428 HydrophobicContact CE1-CD2 3.77Å; F422-F428 HydrophobicContact CE1-CE2 4.48Å; F422-F428 HydrophobicContact CE1-CG 4.42Å; F422-F428 HydrophobicContact CE2-CB 4.2Å; F422-F428 HydrophobicContact CZ-CB 4.16Å; F422-F428 AromaticContact CZ-CD2 3.89Å; F422-F428 HydrophobicContact CZ-CD2 3.89Å; F422-F428 HydrophobicContact CZ-CG 4.47Å; F422-F428 VanDerWaalsContact O-CB 3.25Å; F422-F428 WeakPolarHBondContact O-CB 3.34Å |
| 423 | C | 80.1 | Confident | 81 | Confident | 9 Ų | 9 | 56.6 Ų | 56.6 | 6% | 0.061 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.7 | -16.5 | -179.7 | -61.3 | 0 | 0 | 0 | 0 | 113.1 | V419 A420 F428 | V419-C423 PolarHBondContact O-N 2.99Å; V419-C423 PolarHBondContact O-SG 2.98Å; A420-C423 PolarHBondContact O-N 2.84Å; C423-F428 HydrophobicContact CB-CD1 4.37Å; C423-F428 HydrophobicContact CB-CE1 4.44Å; C423-F428 VanDerWaalsContact O-CD1 3.22Å; C423-F428 WeakPolarHBondContact O-CD1 3.46Å |
| 424 | S | 73.6 | Confident | 80.4 | Confident | 68 Ų | 68 | 56.6 Ų | 56.6 | 48% | 0.476 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -100.1 | -3.8 | 173.7 | 51.7 | 0 | 0 | 0 | 0 | 113.7 | A420 P421 F422 Y429 | A420-S424 PolarHBondContact O-N 3.47Å; A420-S424 PolarHBondContact O-OG 3.43Å; A420-S424 VanDerWaalsContact O-OG 3.05Å; P421-S424 WeakPolarHBondContact CA-OG 3.45Å; P421-S424 PolarHBondContact O-N 2.97Å; P421-S424 PolarHBondContact O-OG 3.28Å; F422-S424 PolarHBondContact O-N 3.48Å; F422-S424 VanDerWaalsContact O-N 3.12Å; S424-Y429 WeakPolarHBondContact O-CE2 3.2Å |
| 425 | S | 79.7 | Confident | 79.2 | Confident | 16 Ų | 16 | 64.2 Ų | 64.2 | 11% | 0.112 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -82.3 | 155.5 | -177.9 | 77 | 0 | 0 | 0 | 0 | 112.9 | P421 F422 Y427 F428 Y429 | P421-S425 PolarHBondContact O-N 2.8Å; P421-S425 VanDerWaalsContact O-N 3.11Å; F422-S425 WeakPolarHBondContact O-CB 3.38Å; F422-S425 PolarHBondContact O-N 3.44Å; F422-S425 PolarHBondContact O-OG 2.92Å; S425-Y427 PolarHBondContact O-N 3.34Å; S425-F428 PolarHBondContact O-N 3.14Å; S425-F428 VanDerWaalsContact O-N 3.13Å; S425-Y429 WeakPolarHBondContact O-CD2 3.44Å; S425-Y429 PolarHBondContact O-N 3.49Å |
| 426 | L | 80 | Confident | 77.9 | Confident | 115 Ų | 115 | 67.1 Ų | 67.1 | 60% | 0.602 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -57 | -33.7 | 174 | -171.7 | 66 | 0 | 0 | 0 | 112.3 | F428 Y429 D430 | L426-F428 PolarHBondContact O-N 3.09Å; L426-Y429 PolarHBondContact O-N 3.33Å; L426-Y429 VanDerWaalsContact O-N 3.1Å; L426-D430 WeakPolarHBondContact O-CB 3.43Å; L426-D430 VanDerWaalsContact O-CG 3.23Å; L426-D430 PolarHBondContact O-N 3.17Å |
| 427 | Y | 84.1 | Confident | 76.5 | Confident | 95 Ų | 95 | 68.5 Ų | 68.5 | 37% | 0.373 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.8 | -35.8 | 178.1 | -59.5 | -77.7 | 0 | 0 | 0 | 113.1 | F311 A314 S425 L431 | F311-Y427 HydrophobicContact CB-CD2 3.79Å; F311-Y427 HydrophobicContact CB-CE2 4.33Å; F311-Y427 HydrophobicContact CB-CG 4.23Å; F311-Y427 AromaticContact CD2-CD2 3.97Å; F311-Y427 HydrophobicContact CD2-CD2 3.97Å; F311-Y427 HydrophobicContact CD2-CE2 4.3Å; F311-Y427 HydrophobicContact CG-CD2 4.4Å; A314-Y427 HydrophobicContact CB-CE2 4.13Å; A314-Y427 VanDerWaalsContact CB-OH 3.3Å; A314-Y427 WeakPolarHBondContact CB-OH 3.21Å; S425-Y427 PolarHBondContact O-N 3.34Å; Y427-L431 PolarHBondContact O-N 2.89Å |
| 428 | F | 84.3 | Confident | 75.1 | Confident | 2 Ų | 2 | 72.7 Ų | 72.7 | 1% | 0.009 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -77.1 | -36.4 | 176.8 | -177 | -114 | 0 | 0 | 0 | 111.9 | P291 L293 F422 C423 S425 L426 L431 L432 | P291-F428 HydrophobicContact CB-CE1 4.29Å; P291-F428 HydrophobicContact CB-CZ 4.1Å; P291-F428 WeakPolarHBondContact O-CE1 3.32Å; P291-F428 WeakPolarHBondContact O-CZ 3.42Å; L293-F428 HydrophobicContact CD1-CD2 4.41Å; L293-F428 HydrophobicContact CD1-CE2 3.55Å; L293-F428 HydrophobicContact CD1-CZ 4.29Å; L293-F428 HydrophobicContact CG-CE2 3.95Å; L293-F428 HydrophobicContact CG-CZ 4.19Å; F422-F428 HydrophobicContact CE1-CB 4.45Å; F422-F428 AromaticContact CE1-CD2 3.77Å; F422-F428 HydrophobicContact CE1-CD2 3.77Å; F422-F428 HydrophobicContact CE1-CE2 4.48Å; F422-F428 HydrophobicContact CE1-CG 4.42Å; F422-F428 HydrophobicContact CE2-CB 4.2Å; F422-F428 HydrophobicContact CZ-CB 4.16Å; F422-F428 AromaticContact CZ-CD2 3.89Å; F422-F428 HydrophobicContact CZ-CD2 3.89Å; F422-F428 HydrophobicContact CZ-CG 4.47Å; F422-F428 VanDerWaalsContact O-CB 3.25Å; F422-F428 WeakPolarHBondContact O-CB 3.34Å; C423-F428 HydrophobicContact CB-CD1 4.37Å; C423-F428 HydrophobicContact CB-CE1 4.44Å; C423-F428 VanDerWaalsContact O-CD1 3.22Å; C423-F428 WeakPolarHBondContact O-CD1 3.46Å; S425-F428 PolarHBondContact O-N 3.14Å; S425-F428 VanDerWaalsContact O-N 3.13Å; L426-F428 PolarHBondContact O-N 3.09Å; F428-L431 HydrophobicContact CD2-CD2 4.16Å; F428-L431 HydrophobicContact CE2-CD2 4.36Å; F428-L431 WeakPolarHBondContact O-CB 3.09Å; F428-L431 PolarHBondContact O-N 3.03Å; F428-L432 HydrophobicContact CD1-CD1 3.87Å; F428-L432 HydrophobicContact CD1-CG 4.46Å; F428-L432 HydrophobicContact CE1-CD1 3.38Å; F428-L432 HydrophobicContact CE1-CG 4.1Å; F428-L432 HydrophobicContact CE2-CD1 4.45Å; F428-L432 HydrophobicContact CE2-CG 4.32Å; F428-L432 HydrophobicContact CZ-CD1 3.72Å; F428-L432 HydrophobicContact CZ-CD2 4.2Å; F428-L432 HydrophobicContact CZ-CG 4.02Å; F428-L432 WeakPolarHBondContact O-CG 3.45Å; F428-L432 PolarHBondContact O-N 2.81Å |
| 429 | Y | 79.7 | Confident | 73 | Confident | 70 Ų | 70 | 76 Ų | 76 | 28% | 0.275 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.2 | -38 | 174.3 | -66.6 | -62.8 | 0 | 0 | 0 | 113 | L290 S424 S425 L426 L431 L432 F433 | L290-Y429 VanDerWaalsContact CD1-OH 3.22Å; L290-Y429 WeakPolarHBondContact CD1-OH 3.31Å; L290-Y429 HydrophobicContact CD2-CE1 3.77Å; L290-Y429 WeakPolarHBondContact CD2-OH 3.43Å; S424-Y429 WeakPolarHBondContact O-CE2 3.2Å; S425-Y429 WeakPolarHBondContact O-CD2 3.44Å; S425-Y429 PolarHBondContact O-N 3.49Å; L426-Y429 PolarHBondContact O-N 3.33Å; L426-Y429 VanDerWaalsContact O-N 3.1Å; Y429-L431 PolarHBondContact O-N 3.36Å; Y429-L432 PolarHBondContact O-N 3.46Å; Y429-F433 HydrophobicContact CD1-CD2 4.21Å; Y429-F433 AromaticContact CD1-CE2 3.84Å; Y429-F433 HydrophobicContact CD1-CE2 3.84Å; Y429-F433 PolarHBondContact O-N 3.46Å |
| 430 | D | 80.8 | Confident | 70.7 | Confident | 62 Ų | 62 | 79.5 Ų | 79.5 | 33% | 0.332 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62 | -36 | 173 | -69.1 | -20.3 | 0 | 0 | 0 | 110.7 | L426 G434 | L426-D430 WeakPolarHBondContact O-CB 3.43Å; L426-D430 VanDerWaalsContact O-CG 3.23Å; L426-D430 PolarHBondContact O-N 3.17Å; D430-G434 CarbonylContact O-C 3.58Å; D430-G434 WeakPolarHBondContact O-CA 3.33Å; D430-G434 PolarHBondContact O-N 3.13Å |
| 431 | L | 83.3 | Confident | 68.6 | Low | 60 Ų | 60 | 82 Ų | 82 | 31% | 0.314 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.7 | -42.9 | 172.9 | 176.7 | 69.4 | 0 | 0 | 0 | 112.1 | P303 A307 Y427 F428 Y429 | P303-L431 HydrophobicContact CB-CD1 3.79Å; P303-L431 HydrophobicContact CG-CD1 4.45Å; A307-L431 HydrophobicContact CB-CD2 4.47Å; Y427-L431 PolarHBondContact O-N 2.89Å; F428-L431 HydrophobicContact CD2-CD2 4.16Å; F428-L431 HydrophobicContact CE2-CD2 4.36Å; F428-L431 WeakPolarHBondContact O-CB 3.09Å; F428-L431 PolarHBondContact O-N 3.03Å; Y429-L431 PolarHBondContact O-N 3.36Å |
| 432 | L | 80 | Confident | 66.6 | Low | 76 Ų | 76 | 84.5 Ų | 84.5 | 40% | 0.398 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -76.5 | -44.3 | -176.3 | -73.1 | 177.5 | 0 | 0 | 0 | 113.9 | P291 F428 Y429 | P291-L432 HydrophobicContact CG-CD1 3.86Å; F428-L432 HydrophobicContact CD1-CD1 3.87Å; F428-L432 HydrophobicContact CD1-CG 4.46Å; F428-L432 HydrophobicContact CE1-CD1 3.38Å; F428-L432 HydrophobicContact CE1-CG 4.1Å; F428-L432 HydrophobicContact CE2-CD1 4.45Å; F428-L432 HydrophobicContact CE2-CG 4.32Å; F428-L432 HydrophobicContact CZ-CD1 3.72Å; F428-L432 HydrophobicContact CZ-CD2 4.2Å; F428-L432 HydrophobicContact CZ-CG 4.02Å; F428-L432 WeakPolarHBondContact O-CG 3.45Å; F428-L432 PolarHBondContact O-N 2.81Å; Y429-L432 PolarHBondContact O-N 3.46Å |
| 433 | F | 77.8 | Confident | 64.2 | Low | 161 Ų | 161 | 88.9 Ų | 88.9 | 71% | 0.706 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -107.6 | -8.8 | -171.1 | -59.4 | -61.1 | 0 | 0 | 0 | 113.4 | Y429 | Y429-F433 HydrophobicContact CD1-CD2 4.21Å; Y429-F433 AromaticContact CD1-CE2 3.84Å; Y429-F433 HydrophobicContact CD1-CE2 3.84Å; Y429-F433 PolarHBondContact O-N 3.46Å |
| 434 | G | 72.7 | Confident | 62 | Low | 34 Ų | 34 | 95.5 Ų | 95.5 | 35% | 0.351 | 53% | 0.528 | S | S | . | . | trans | 77.6 | 171.1 | -167.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | D430 I436 | D430-G434 CarbonylContact O-C 3.58Å; D430-G434 WeakPolarHBondContact O-CA 3.33Å; D430-G434 PolarHBondContact O-N 3.13Å; G434-I436 PolarHBondContact O-N 3.46Å | ||
| 435 | E | 62.2 | Low | 59.7 | Low | 165 Ų | 165 | 104.5 Ų | 104.5 | 77% | 0.771 | 55% | 0.552 | S | S | * | * | trans | -65 | 120.7 | 175.1 | -168.6 | 176.1 | -170.8 | 0 | 0 | 109.5 | Q437 | E435-Q437 PolarHBondContact O-N 3.39Š| ||
| 436 | I | 56.9 | Low | 57 | Low | 114 Ų | 114 | 107.2 Ų | 107.2 | 59% | 0.585 | 58% | 0.583 | S | S | * | * | trans | -68.9 | 97.4 | 175.8 | -57.6 | 174.6 | 0 | 0 | 0 | 107.9 | G434 F438 | G434-I436 PolarHBondContact O-N 3.46Å; I436-F438 HydrophobicContact CG2-CD2 4.25Å; I436-F438 HydrophobicContact CG2-CE2 4.07Å; I436-F438 HydrophobicContact CG2-CZ 4.27Å; I436-F438 PolarHBondContact O-N 2.97Å | ||
| 437 | Q | 47.9 | Very low | 54.3 | Low | 148 Ų | 148 | 105.4 Ų | 105.4 | 69% | 0.692 | 59% | 0.592 | S | S | * | * | trans | -70.8 | 98.2 | 166.7 | -67.8 | -176.2 | -9.9 | 0 | 0 | 107.8 | E435 D439 | E435-Q437 PolarHBondContact O-N 3.39Å; Q437-D439 PolarHBondContact O-N 2.86Å | ||
| 438 | F | 49.4 | Very low | 51.6 | Low | 150 Ų | 150 | 109.9 Ų | 109.9 | 66% | 0.658 | 61% | 0.613 | S | S | * | * | trans | -65.1 | 86.8 | 157.1 | -69 | -82.6 | 0 | 0 | 0 | 106.6 | I436 A440 V672 | I436-F438 HydrophobicContact CG2-CD2 4.25Å; I436-F438 HydrophobicContact CG2-CE2 4.07Å; I436-F438 HydrophobicContact CG2-CZ 4.27Å; I436-F438 PolarHBondContact O-N 2.97Å; F438-A440 VanDerWaalsContact C-N 3.26Å; F438-A440 PolarHBondContact O-N 2.87Å; F438-V672 HydrophobicContact CE1-CG1 4.29Å | ||
| 439 | D | 39.2 | Very low | 48.6 | Very low | 123 Ų | 123 | 117.8 Ų | 117.8 | 66% | 0.658 | 65% | 0.652 | S | S | * | * | trans | -58.1 | 102.1 | 164.5 | -87.4 | -20.2 | 0 | 0 | 0 | 106.2 | Q437 C441 | Q437-D439 PolarHBondContact O-N 2.86Å; D439-C441 PolarHBondContact O-N 3.18Å | ||
| 440 | A | 35.9 | Very low | 45.9 | Very low | 79 Ų | 79 | 118 Ų | 118 | 65% | 0.653 | 68% | 0.677 | S | S | * | * | trans | -67.3 | 36.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F438 A442 S443 | F438-A440 VanDerWaalsContact C-N 3.26Å; F438-A440 PolarHBondContact O-N 2.87Å; A440-A442 PolarHBondContact O-N 3.17Å; A440-S443 PolarHBondContact O-N 2.59Å | ||
| 441 | C | 33.2 | Very low | 43.1 | Very low | 119 Ų | 119 | 120.1 Ų | 120.1 | 80% | 0.804 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | 7.2 | 174.5 | -87.4 | 0 | 0 | 0 | 0 | 113.5 | D439 | D439-C441 PolarHBondContact O-N 3.18Š|
| 442 | A | 35.7 | Very low | 40.5 | Very low | 109 Ų | 109 | 123.3 Ų | 123.3 | 90% | 0.901 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -0.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | A440 | A440-A442 PolarHBondContact O-N 3.17Š|
| 443 | S | 32.6 | Very low | 37.8 | Very low | 92 Ų | 92 | 126.3 Ų | 126.3 | 64% | 0.643 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -110.5 | 112.7 | 172.7 | -141.7 | 0 | 0 | 0 | 0 | 110.5 | A440 | A440-S443 PolarHBondContact O-N 2.59Š|
| 444 | D | 32.7 | Very low | 35.2 | Very low | 147 Ų | 147 | 122.4 Ų | 122.4 | 79% | 0.786 | 74% | 0.739 | S | S | * | * | S | Bend | trans | 60.1 | 86.1 | 167.4 | -77 | -15.8 | 0 | 0 | 0 | 117.9 | ||
| 445 | R | 26 | Very low | 32.7 | Very low | 257 Ų | 257 | 131 Ų | 131 | 97% | 0.97 | 77% | 0.767 | S | S | * | * | -176.6 | 69.9 | 129.4 | -100.9 | 169.8 | -114.2 | -149.1 | 0.6 | 112.6 | |||||
| 446 | G | 23.5 | Very low | 30.9 | Very low | 74 Ų | 74 | 129.1 Ų | 129.1 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | trans | -145.3 | 51.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110 | F448 | G446-F448 PolarHBondContact O-N 2.99Š| ||
| 447 | G | 22.3 | Very low | 29.4 | Very low | 76 Ų | 76 | 128.4 Ų | 128.4 | 78% | 0.784 | 77% | 0.772 | S | S | * | * | trans | -58.5 | 89.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | M449 | G447-M449 VanDerWaalsContact C-N 3.32Å; G447-M449 PolarHBondContact O-N 3.29Å | ||
| 448 | F | 26.6 | Very low | 28.2 | Very low | 189 Ų | 189 | 129.3 Ų | 129.3 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | trans | -63.9 | 101.2 | 166.5 | -168.5 | -99 | 0 | 0 | 0 | 106.2 | G446 G450 | G446-F448 PolarHBondContact O-N 2.99Å; F448-G450 PolarHBondContact O-N 3.24Å; F448-G450 VanDerWaalsContact O-N 3.08Å | ||
| 449 | M | 23.2 | Very low | 26.8 | Very low | 168 Ų | 168 | 131.4 Ų | 131.4 | 83% | 0.828 | 79% | 0.79 | S | S | * | * | trans | -41.1 | 115.9 | 177.2 | -78.4 | -172.1 | -177 | 0 | 0 | 110.1 | G447 S451 | G447-M449 VanDerWaalsContact C-N 3.32Å; G447-M449 PolarHBondContact O-N 3.29Å; M449-S451 PolarHBondContact O-N 2.69Å; M449-S451 VanDerWaalsContact O-N 3.08Å | ||
| 450 | G | 21.7 | Very low | 26 | Very low | 76 Ų | 76 | 134.8 Ų | 134.8 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | trans | -54.8 | 114.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110 | F448 | F448-G450 PolarHBondContact O-N 3.24Å; F448-G450 VanDerWaalsContact O-N 3.08Å | ||
| 451 | S | 22.6 | Very low | 25.5 | Very low | 105 Ų | 105 | 135.5 Ų | 135.5 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | trans | -94.5 | 134.9 | 150.4 | -73 | 0 | 0 | 0 | 0 | 107.8 | M449 T453 | M449-S451 PolarHBondContact O-N 2.69Å; M449-S451 VanDerWaalsContact O-N 3.08Å; S451-T453 PolarHBondContact O-N 3.34Å | ||
| 452 | P | 28.1 | Very low | 25 | Very low | 127 Ų | 127 | 136.6 Ų | 136.6 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -78.6 | 111 | -156.3 | 30.1 | -33.2 | 0 | 0 | 0 | 110.6 | A454 | P452-A454 VanDerWaalsContact C-N 3.3Å; P452-A454 PolarHBondContact O-N 2.96Å | ||
| 453 | T | 23.7 | Very low | 24.5 | Very low | 140 Ų | 140 | 139 Ų | 139 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | trans | -74.2 | 94.2 | 161.3 | 39.3 | 0 | 0 | 0 | 0 | 107.9 | S451 K455 | S451-T453 PolarHBondContact O-N 3.34Å; T453-K455 PolarHBondContact O-N 3.24Å | ||
| 454 | A | 23.5 | Very low | 24.2 | Very low | 79 Ų | 79 | 139.1 Ų | 139.1 | 65% | 0.653 | 80% | 0.804 | S | S | * | * | trans | -44 | 131.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | P452 V456 | P452-A454 VanDerWaalsContact C-N 3.3Å; P452-A454 PolarHBondContact O-N 2.96Å; A454-V456 PolarHBondContact O-N 3.3Å | ||
| 455 | K | 20.3 | Very low | 23.9 | Very low | 214 Ų | 214 | 140.2 Ų | 140.2 | 93% | 0.93 | 81% | 0.805 | S | S | * | * | trans | -45.3 | 105 | 165.3 | -65.6 | 170.8 | 177.1 | 175.4 | 0 | 108.9 | T453 | T453-K455 PolarHBondContact O-N 3.24Š| ||
| 456 | V | 24.9 | Very low | 23.9 | Very low | 126 Ų | 126 | 135 Ų | 135 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | trans | -123.8 | 105.8 | 163.9 | -178 | 0 | 0 | 0 | 0 | 107.2 | A454 | A454-V456 PolarHBondContact O-N 3.3Š| ||
| 457 | S | 23.8 | Very low | 23.9 | Very low | 99 Ų | 99 | 138.6 Ų | 138.6 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | trans | -34.9 | 137 | 167 | 49.3 | 0 | 0 | 0 | 0 | 114 | K459 | S457-K459 PolarHBondContact O-N 2.89Å; S457-K459 VanDerWaalsContact O-N 3.07Å | ||
| 458 | N | 22.6 | Very low | 24.1 | Very low | 166 Ų | 166 | 138.2 Ų | 138.2 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | trans | -30.1 | 108.1 | 156.6 | -75.5 | -8.3 | 0 | 0 | 0 | 112.1 | ||||
| 459 | K | 21.8 | Very low | 23.9 | Very low | 194 Ų | 194 | 134.1 Ų | 134.1 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | trans | -133.8 | 102.6 | 149.3 | -94.8 | -173.1 | 173.6 | -178.9 | 0 | 107.5 | S457 S461 | S457-K459 PolarHBondContact O-N 2.89Å; S457-K459 VanDerWaalsContact O-N 3.07Å; K459-S461 PolarHBondContact O-N 3.4Å | ||
| 460 | E | 21.4 | Very low | 24 | Very low | 194 Ų | 194 | 134.2 Ų | 134.2 | 91% | 0.907 | 78% | 0.783 | S | S | * | * | trans | -47.8 | 123.6 | 153.1 | -68.8 | 161.8 | 124.7 | 0 | 0 | 109.2 | ||||
| 461 | S | 24.8 | Very low | 24.1 | Very low | 94 Ų | 94 | 134.8 Ų | 134.8 | 66% | 0.657 | 78% | 0.775 | S | S | * | * | trans | 167.8 | 126 | 144.2 | 54.9 | 0 | 0 | 0 | 0 | 110 | K459 | K459-S461 PolarHBondContact O-N 3.4Š| ||
| 462 | D | 24.2 | Very low | 24.1 | Very low | 143 Ų | 143 | 135 Ų | 135 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | trans | 70 | 79.2 | 146.5 | -50.2 | -17.9 | 0 | 0 | 0 | 119 | ||||
| 463 | N | 23.4 | Very low | 24 | Very low | 158 Ų | 158 | 134.9 Ų | 134.9 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | trans | -149.1 | 23.2 | 146.5 | -85.2 | -46.1 | 0 | 0 | 0 | 113.2 | ||||
| 464 | A | 27.3 | Very low | 23.9 | Very low | 95 Ų | 95 | 134 Ų | 134 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -84.2 | -7.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 465 | E | 27.1 | Very low | 23.7 | Very low | 170 Ų | 170 | 142 Ų | 142 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -99.8 | 1.3 | -169 | -119.8 | 176.3 | -176.3 | 0 | 0 | 116.1 | ||
| 466 | L | 24.9 | Very low | 23.8 | Very low | 149 Ų | 149 | 136.7 Ų | 136.7 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -93 | -10.1 | 177.1 | -125.3 | 96.2 | 0 | 0 | 0 | 115 | ||
| 467 | I | 24.4 | Very low | 23.6 | Very low | 149 Ų | 149 | 135.6 Ų | 135.6 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -101.9 | -13.7 | -176.6 | -55.8 | -176.7 | 0 | 0 | 0 | 111.9 | ||
| 468 | A | 25.1 | Very low | 23.4 | Very low | 68 Ų | 68 | 135.9 Ų | 135.9 | 56% | 0.562 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -84.2 | -8.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 469 | S | 24 | Very low | 23.3 | Very low | 102 Ų | 102 | 132.9 Ų | 132.9 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -98.6 | 9.1 | -171.9 | -49.7 | 0 | 0 | 0 | 0 | 115.7 | ||
| 470 | L | 25.2 | Very low | 23.3 | Very low | 170 Ų | 170 | 128.2 Ų | 128.2 | 89% | 0.89 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -114.8 | 6.7 | 176.8 | -78.1 | 153.9 | 0 | 0 | 0 | 113.8 | ||
| 471 | S | 23.9 | Very low | 23.3 | Very low | 89 Ų | 89 | 126.7 Ų | 126.7 | 62% | 0.622 | 76% | 0.76 | S | S | * | * | trans | -124.5 | 71.2 | 179.5 | 32.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 472 | S | 22.5 | Very low | 23.2 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | -139.8 | 105.1 | 155.5 | -75.7 | 0 | 0 | 0 | 0 | 108.2 | S474 | S472-S474 PolarHBondContact O-N 3.41Š| ||
| 473 | P | 25.1 | Very low | 23.1 | Very low | 126 Ų | 126 | 126.7 Ų | 126.7 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -77.2 | 114.4 | -174.5 | 28.6 | -30.6 | 0 | 0 | 0 | 110.2 | R475 | P473-R475 PolarHBondContact O-N 2.98Š| ||
| 474 | S | 22.4 | Very low | 23.4 | Very low | 121 Ų | 121 | 125.1 Ų | 125.1 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | trans | -61.8 | 114 | 168.2 | -47.6 | 0 | 0 | 0 | 0 | 109.8 | S472 | S472-S474 PolarHBondContact O-N 3.41Š| ||
| 475 | R | 18.8 | Very low | 23.2 | Very low | 248 Ų | 248 | 126.6 Ų | 126.6 | 94% | 0.936 | 76% | 0.762 | S | S | * | * | trans | -64.7 | 125.5 | 167 | -75.2 | 167.3 | 148.9 | -175.2 | -6.6 | 111.1 | P473 | P473-R475 PolarHBondContact O-N 2.98Š| ||
| 476 | S | 22.3 | Very low | 22.9 | Very low | 101 Ų | 101 | 125.3 Ų | 125.3 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | -179.3 | 96.8 | 143.9 | 49.6 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 477 | S | 21.5 | Very low | 23.1 | Very low | 103 Ų | 103 | 123.2 Ų | 123.2 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | 77.8 | 102.7 | 95.3 | 66.6 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 478 | S | 18.9 | Very low | 23 | Very low | 106 Ų | 106 | 124.7 Ų | 124.7 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | trans | 53.6 | 134.9 | 131.3 | 61 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 479 | S | 20.8 | Very low | 23.2 | Very low | 102 Ų | 102 | 130 Ų | 130 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | trans | 92.2 | 121.6 | 141.1 | 67.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 480 | S | 21.6 | Very low | 23.4 | Very low | 96 Ų | 96 | 134.3 Ų | 134.3 | 67% | 0.671 | 78% | 0.784 | S | S | * | * | trans | 74.6 | 109.7 | 137.4 | 51.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 481 | D | 20.2 | Very low | 23.3 | Very low | 162 Ų | 162 | 134.9 Ų | 134.9 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | 26.3 | 101.9 | 119.7 | -64.1 | -23.7 | 0 | 0 | 0 | 116.1 | |||||
| 482 | V | 23.8 | Very low | 23.4 | Very low | 138 Ų | 138 | 139.5 Ų | 139.5 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | trans | -143 | 124.8 | 141.4 | -173.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 483 | S | 21.2 | Very low | 23.5 | Very low | 100 Ų | 100 | 142.7 Ų | 142.7 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | trans | -59.7 | 173.3 | 171.1 | -31.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 484 | P | 29.8 | Very low | 23.6 | Very low | 125 Ų | 125 | 143.2 Ų | 143.2 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | trans | -79 | 135 | -153.5 | 33.1 | -33.6 | 0 | 0 | 0 | 112.3 | ||||
| 485 | V | 23.6 | Very low | 23.8 | Very low | 126 Ų | 126 | 145.3 Ų | 145.3 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | trans | -88.5 | 115.9 | 168.2 | 170.3 | 0 | 0 | 0 | 0 | 107.8 | S487 | V485-S487 PolarHBondContact O-N 3.33Š| ||
| 486 | N | 20.7 | Very low | 24.5 | Very low | 143 Ų | 143 | 138.6 Ų | 138.6 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | trans | -50.3 | 123 | 154.5 | -80.8 | -7.6 | 0 | 0 | 0 | 109.3 | ||||
| 487 | S | 29.5 | Very low | 25.2 | Very low | 104 Ų | 104 | 142 Ų | 142 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -130.7 | 98.5 | 154.8 | 41.1 | 0 | 0 | 0 | 0 | 106.7 | V485 E489 | V485-S487 PolarHBondContact O-N 3.33Å; S487-E489 PolarHBondContact O-N 3.43Å | ||
| 488 | E | 21.7 | Very low | 26.1 | Very low | 181 Ų | 181 | 143.3 Ų | 143.3 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | -60.4 | 107.3 | 163 | -60.8 | 163.7 | 158.7 | 0 | 0 | 107.8 | ||||
| 489 | E | 29.9 | Very low | 27.3 | Very low | 180 Ų | 180 | 141.6 Ų | 141.6 | 84% | 0.841 | 76% | 0.755 | S | S | * | * | trans | -142.3 | 102.2 | 160.8 | -72.1 | -168.9 | 175.2 | 0 | 0 | 109.4 | S487 | S487-E489 PolarHBondContact O-N 3.43Š| ||
| 490 | E | 27.2 | Very low | 28.5 | Very low | 191 Ų | 191 | 142.3 Ų | 142.3 | 89% | 0.893 | 75% | 0.751 | S | S | * | * | trans | 49.9 | 107.7 | 144.8 | -61.3 | -177.1 | 175.4 | 0 | 0 | 119.9 | E492 | E490-E492 PolarHBondContact O-N 3.34Š| ||
| 491 | E | 23.9 | Very low | 29.8 | Very low | 183 Ų | 183 | 144 Ų | 144 | 86% | 0.855 | 75% | 0.753 | S | S | * | * | trans | -40.2 | 108.5 | 159.7 | -62.1 | 162.6 | 170.2 | 0 | 0 | 113.3 | ||||
| 492 | E | 26.8 | Very low | 31.1 | Very low | 185 Ų | 185 | 140 Ų | 140 | 86% | 0.864 | 74% | 0.742 | S | S | * | * | trans | -96.8 | 106.1 | 140.5 | -76 | -170.1 | 167.4 | 0 | 0 | 106.4 | E490 D494 | E490-E492 PolarHBondContact O-N 3.34Å; E492-D494 PolarHBondContact O-N 3Å | ||
| 493 | E | 23.9 | Very low | 32.5 | Very low | 176 Ų | 176 | 136.3 Ų | 136.3 | 82% | 0.822 | 72% | 0.72 | S | S | * | * | trans | -62.6 | 74.4 | 173.9 | -67.1 | 178.8 | 150.7 | 0 | 0 | 110.6 | ||||
| 494 | D | 28 | Very low | 34.2 | Very low | 136 Ų | 136 | 132.1 Ų | 132.1 | 73% | 0.727 | 69% | 0.69 | S | S | * | * | trans | -82.3 | 111.2 | 151.5 | -85.3 | -27.2 | 0 | 0 | 0 | 106.1 | E492 V496 | E492-D494 PolarHBondContact O-N 3Å; D494-V496 VanDerWaalsContact C-N 3.26Å; D494-V496 WeakPolarHBondContact O-CG2 3.31Å; D494-V496 PolarHBondContact O-N 3.19Å | ||
| 495 | E | 26.7 | Very low | 35.3 | Very low | 165 Ų | 165 | 129.7 Ų | 129.7 | 77% | 0.771 | 68% | 0.676 | S | S | * | * | trans | -55.7 | 85.5 | 175.6 | -67.5 | 178.2 | 159.6 | 0 | 0 | 110.7 | Y497 | E495-Y497 VanDerWaalsContact C-N 3.33Å; E495-Y497 HydrophobicContact CB-CE2 4.32Å; E495-Y497 PolarHBondContact O-N 3.28Å | ||
| 496 | V | 33.4 | Very low | 36.9 | Very low | 107 Ų | 107 | 128.5 Ų | 128.5 | 65% | 0.648 | 67% | 0.671 | S | S | * | * | trans | -77.3 | 86.3 | 176.3 | -177.1 | 0 | 0 | 0 | 0 | 108.2 | D494 D498 | D494-V496 VanDerWaalsContact C-N 3.26Å; D494-V496 WeakPolarHBondContact O-CG2 3.31Å; D494-V496 PolarHBondContact O-N 3.19Å; V496-D498 VanDerWaalsContact C-N 3.31Å; V496-D498 PolarHBondContact O-N 3.44Å | ||
| 497 | Y | 36.4 | Very low | 39.2 | Very low | 173 Ų | 173 | 126.5 Ų | 126.5 | 68% | 0.678 | 65% | 0.652 | S | S | * | * | trans | -67 | 97.5 | 153.6 | -66.9 | -81.9 | 0 | 0 | 0 | 107.3 | E495 L499 R634 | E495-Y497 VanDerWaalsContact C-N 3.33Å; E495-Y497 HydrophobicContact CB-CE2 4.32Å; E495-Y497 PolarHBondContact O-N 3.28Å; Y497-L499 PolarHBondContact O-N 3.11Å; Y497-R634 PolarHBondContact O-NH2 2.74Å | ||
| 498 | D | 39.4 | Very low | 41.3 | Very low | 130 Ų | 130 | 124.8 Ų | 124.8 | 70% | 0.695 | 64% | 0.635 | S | S | * | * | trans | -65 | 118.1 | 159.3 | -143.3 | -3.6 | 0 | 0 | 0 | 105.9 | V496 D500 | V496-D498 VanDerWaalsContact C-N 3.31Å; V496-D498 PolarHBondContact O-N 3.44Å; D498-D500 PolarHBondContact O-N 3.4Å | ||
| 499 | L | 45.7 | Very low | 44.1 | Very low | 70 Ų | 70 | 116.3 Ų | 116.3 | 37% | 0.366 | 60% | 0.595 | S | S | . | * | trans | -72.1 | 101.1 | -176.3 | -126.2 | 86.5 | 0 | 0 | 0 | 106.8 | Y497 D501 L504 W557 | Y497-L499 PolarHBondContact O-N 3.11Å; L499-D501 PolarHBondContact O-N 3.07Å; L499-D501 VanDerWaalsContact O-N 3.14Å; L499-L504 HydrophobicContact CD2-CD1 3.99Å; L499-L504 HydrophobicContact CD2-CD2 4.09Å; L499-L504 HydrophobicContact CD2-CG 4.12Å; L499-W557 HydrophobicContact CD2-CB 4.39Å; L499-W557 HydrophobicContact CD2-CD2 4.28Å; L499-W557 HydrophobicContact CD2-CE3 4.39Å; L499-W557 HydrophobicContact CD2-CG 4.29Å | ||
| 500 | D | 44.5 | Very low | 46.5 | Very low | 117 Ų | 117 | 110 Ų | 110 | 63% | 0.626 | 57% | 0.571 | S | S | * | * | trans | -49.2 | 121.2 | 179.3 | -77.6 | -37.3 | 0 | 0 | 0 | 110.7 | D498 A502 V503 | D498-D500 PolarHBondContact O-N 3.4Å; D500-A502 PolarHBondContact O-N 3.4Å; D500-V503 HydrophobicContact CB-CG2 4.28Å; D500-V503 PolarHBondContact O-N 2.81Å | ||
| 501 | D | 48.9 | Very low | 49.1 | Very low | 131 Ų | 131 | 106.8 Ų | 106.8 | 70% | 0.701 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -54.8 | -22.6 | -179.5 | -156.4 | 22.4 | 0 | 0 | 0 | 112 | L499 V503 L504 | L499-D501 PolarHBondContact O-N 3.07Å; L499-D501 VanDerWaalsContact O-N 3.14Å; D501-V503 PolarHBondContact O-N 2.98Å; D501-L504 PolarHBondContact O-N 2.81Å |
| 502 | A | 47.6 | Very low | 52.1 | Low | 78 Ų | 78 | 98.7 Ų | 98.7 | 65% | 0.645 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.8 | -38.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | D500 S505 | D500-A502 PolarHBondContact O-N 3.4Å; A502-S505 PolarHBondContact O-N 3.41Å; A502-S505 PolarHBondContact O-OG 3.2Å |
| 503 | V | 53.4 | Low | 55 | Low | 62 Ų | 62 | 97 Ų | 97 | 38% | 0.376 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -74.9 | -29.7 | -176.4 | -179.2 | 0 | 0 | 0 | 0 | 111.5 | D500 D501 S505 R540 L555 | D500-V503 HydrophobicContact CB-CG2 4.28Å; D500-V503 PolarHBondContact O-N 2.81Å; D501-V503 PolarHBondContact O-N 2.98Å; V503-S505 VanDerWaalsContact C-N 3.29Å; V503-S505 PolarHBondContact O-N 3.27Å; V503-R540 PolarHBondContact O-NH1 2.63Å; V503-L555 HydrophobicContact CG1-CD1 3.42Å; V503-L555 VanDerWaalsContact CG1-CD1 3.42Å; V503-L555 HydrophobicContact CG1-CD2 4.23Å; V503-L555 HydrophobicContact CG1-CG 4.48Å |
| 504 | L | 57.3 | Low | 58.2 | Low | 12 Ų | 12 | 89.1 Ų | 89.1 | 6% | 0.063 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -80.9 | -6.9 | -179.9 | -70.1 | 175 | 0 | 0 | 0 | 114 | L499 D501 R540 W557 F628 T632 | L499-L504 HydrophobicContact CD2-CD1 3.99Å; L499-L504 HydrophobicContact CD2-CD2 4.09Å; L499-L504 HydrophobicContact CD2-CG 4.12Å; D501-L504 PolarHBondContact O-N 2.81Å; L504-R540 VanDerWaalsContact C-NH1 3.33Å; L504-R540 VanDerWaalsContact CA-NH1 3.29Å; L504-R540 PolarHBondContact O-NH1 3.32Å; L504-W557 HydrophobicContact CD2-CE3 4.45Å; L504-W557 HydrophobicContact CD2-CH2 3.64Å; L504-W557 HydrophobicContact CD2-CZ2 3.99Å; L504-W557 HydrophobicContact CD2-CZ3 3.9Å; L504-F628 HydrophobicContact CB-CZ 4.43Å; L504-T632 HydrophobicContact CD1-CG2 3.93Å |
| 505 | S | 52.8 | Low | 61.2 | Low | 74 Ų | 74 | 84.8 Ų | 84.8 | 52% | 0.517 | 45% | 0.449 | S | S | . | . | trans | -84.1 | 144.2 | 171.7 | 77.5 | 0 | 0 | 0 | 0 | 111.3 | A502 V503 R540 | A502-S505 PolarHBondContact O-N 3.41Å; A502-S505 PolarHBondContact O-OG 3.2Å; V503-S505 VanDerWaalsContact C-N 3.29Å; V503-S505 PolarHBondContact O-N 3.27Å; S505-R540 PolarHBondContact O-NH2 2.93Å | ||
| 506 | P | 56.9 | Low | 64.4 | Low | 101 Ų | 101 | 77 Ų | 77 | 66% | 0.656 | 41% | 0.413 | S | S | * | . | S | Bend | cis | -75.3 | 149.2 | -6.8 | 29.7 | -34.1 | 0 | 0 | 0 | 114.3 | D508 R540 | P506-D508 PolarHBondContact O-N 3.11Å; P506-R540 PolarHBondContact O-NH2 3.13Å |
| 507 | R | 68.5 | Low | 67.1 | Low | 101 Ų | 101 | 74 Ų | 74 | 38% | 0.381 | 40% | 0.395 | S | S | . | . | trans | -64.2 | 2.7 | -170.1 | -159.3 | -176.3 | -110.2 | -158.5 | 0.1 | 116.3 | M509 E625 F628 | R507-M509 PolarHBondContact O-N 3.27Å; R507-M509 VanDerWaalsContact O-N 3.15Å; R507-E625 IonicContact CZ-OE2 2.79Å; R507-E625 IonicContact NH1-OE2 3.09Å; R507-E625 PolarHBondContact NH1-OE2 3.07Å; R507-E625 IonicContact NH2-OE2 2.74Å; R507-E625 PolarHBondContact NH2-OE2 3.26Å; R507-F628 HydrophobicContact CG-CD2 3.71Å; R507-F628 HydrophobicContact CG-CE2 3.97Å; R507-F628 HydrophobicContact CG-CG 4.03Å | ||
| 508 | D | 74.9 | Confident | 69.6 | Low | 68 Ų | 68 | 71.2 Ų | 71.2 | 36% | 0.364 | 38% | 0.384 | S | S | . | . | trans | -71.3 | 110.7 | -176.5 | -177.9 | 12.8 | 0 | 0 | 0 | 111.2 | P506 S510 W512 | P506-D508 PolarHBondContact O-N 3.11Å; D508-S510 PolarHBondContact O-N 2.84Å; D508-S510 WeakPolarHBondContact OD1-CB 3.38Å; D508-S510 PolarHBondContact OD1-N 2.95Å; D508-S510 PolarHBondContact OD1-OG 2.89Å; D508-S510 PolarHBondContact OD2-OG 3.39Å; D508-W512 PolarHBondContact O-NE1 3.27Å | ||
| 509 | M | 79.9 | Confident | 72.1 | Confident | 3 Ų | 3 | 65.6 Ų | 65.6 | 2% | 0.015 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -80.5 | 2 | 179 | -62.3 | 178.1 | -75.7 | 0 | 0 | 113.5 | R507 K511 W512 L616 L621 K622 L627 F628 L631 | R507-M509 PolarHBondContact O-N 3.27Å; R507-M509 VanDerWaalsContact O-N 3.15Å; M509-K511 PolarHBondContact O-N 3.18Å; M509-K511 VanDerWaalsContact O-N 3.12Å; M509-W512 HydrophobicContact CB-CD2 4.12Å; M509-W512 HydrophobicContact CB-CE3 4.36Å; M509-W512 HydrophobicContact CB-CG 4.23Å; M509-W512 HydrophobicContact CG-CD2 3.93Å; M509-W512 HydrophobicContact CG-CE3 3.86Å; M509-W512 HydrophobicContact CG-CH2 4.24Å; M509-W512 HydrophobicContact CG-CZ2 4.28Å; M509-W512 HydrophobicContact CG-CZ3 4.02Å; M509-W512 WeakPolarHBondContact O-CB 3.46Å; M509-W512 PolarHBondContact O-N 3.16Å; M509-W512 HydrophobicContact SD-CE3 4.44Å; M509-W512 HydrophobicContact SD-CZ3 4.36Å; M509-L616 HydrophobicContact CB-CD2 3.58Å; M509-L616 HydrophobicContact CG-CD2 4.33Å; M509-L616 HydrophobicContact SD-CD2 4.05Å; M509-L621 WeakPolarHBondContact CE-O 3.29Å; M509-K622 VanDerWaalsContact CE-O 3.31Å; M509-K622 WeakPolarHBondContact CE-O 3.5Å; M509-K622 PolarHBondContact N-O 3.4Å; M509-K622 VanDerWaalsContact N-O 3.1Å; M509-L627 HydrophobicContact CE-CB 4.02Å; M509-L627 HydrophobicContact CE-CD2 3.94Å; M509-L627 HydrophobicContact CE-CG 4.04Å; M509-L627 HydrophobicContact SD-CB 4.41Å; M509-L627 HydrophobicContact SD-CD2 4.25Å; M509-L627 HydrophobicContact SD-CG 4.01Å; M509-F628 HydrophobicContact CE-CB 4.31Å; M509-F628 HydrophobicContact SD-CB 4.06Å; M509-L631 HydrophobicContact SD-CD1 4.09Å |
| 510 | S | 79.6 | Confident | 74.1 | Confident | 47 Ų | 47 | 64.2 Ų | 64.2 | 33% | 0.329 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -56.2 | -31 | -178.3 | -62.8 | 0 | 0 | 0 | 0 | 114.2 | D508 K622 | D508-S510 PolarHBondContact O-N 2.84Å; D508-S510 WeakPolarHBondContact OD1-CB 3.38Å; D508-S510 PolarHBondContact OD1-N 2.95Å; D508-S510 PolarHBondContact OD1-OG 2.89Å; D508-S510 PolarHBondContact OD2-OG 3.39Å; S510-K622 WeakPolarHBondContact OG-CD 3.46Å; S510-K622 WeakPolarHBondContact OG-CE 3.36Å; S510-K622 WeakPolarHBondContact OG-CG 3.4Å; S510-K622 PolarHBondContact OG-NZ 3.47Å |
| 511 | K | 81.8 | Confident | 76.2 | Confident | 124 Ų | 124 | 61.9 Ų | 61.9 | 54% | 0.539 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -96.5 | 6.7 | -178.4 | -65.4 | -176.3 | 179.1 | -179.6 | 0 | 113.4 | M509 S543 | M509-K511 PolarHBondContact O-N 3.18Å; M509-K511 VanDerWaalsContact O-N 3.12Å; K511-S543 PolarHBondContact NZ-OG 3.32Å |
| 512 | W | 88 | Confident | 77.9 | Confident | 13 Ų | 13 | 59.9 Ų | 59.9 | 5% | 0.049 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 132.4 | -175 | -64.4 | 22.7 | 0 | 0 | 0 | 109.7 | D508 M509 I538 W557 F628 L631 T632 | D508-W512 PolarHBondContact O-NE1 3.27Å; M509-W512 HydrophobicContact CB-CD2 4.12Å; M509-W512 HydrophobicContact CB-CE3 4.36Å; M509-W512 HydrophobicContact CB-CG 4.23Å; M509-W512 HydrophobicContact CG-CD2 3.93Å; M509-W512 HydrophobicContact CG-CE3 3.86Å; M509-W512 HydrophobicContact CG-CH2 4.24Å; M509-W512 HydrophobicContact CG-CZ2 4.28Å; M509-W512 HydrophobicContact CG-CZ3 4.02Å; M509-W512 WeakPolarHBondContact O-CB 3.46Å; M509-W512 PolarHBondContact O-N 3.16Å; M509-W512 HydrophobicContact SD-CE3 4.44Å; M509-W512 HydrophobicContact SD-CZ3 4.36Å; W512-I538 HydrophobicContact CD2-CG2 4.38Å; W512-I538 HydrophobicContact CE3-CG2 3.81Å; W512-I538 HydrophobicContact CZ3-CG2 4.41Å; W512-W557 HydrophobicContact CD2-CH2 4.3Å; W512-W557 HydrophobicContact CE3-CH2 4.16Å; W512-W557 HydrophobicContact CE3-CZ2 4.07Å; W512-W557 AromaticContact CH2-CH2 3.97Å; W512-W557 HydrophobicContact CH2-CH2 3.97Å; W512-W557 AromaticContact CH2-CZ2 3.85Å; W512-W557 HydrophobicContact CH2-CZ2 3.85Å; W512-W557 HydrophobicContact CZ2-CH2 4.14Å; W512-W557 HydrophobicContact CZ2-CZ2 4.48Å; W512-W557 HydrophobicContact CZ3-CH2 4Å; W512-W557 AromaticContact CZ3-CZ2 3.64Å; W512-W557 HydrophobicContact CZ3-CZ2 3.64Å; W512-F628 AromaticContact CH2-CD2 3.65Å; W512-F628 HydrophobicContact CH2-CD2 3.65Å; W512-F628 AromaticContact CH2-CE2 3.54Å; W512-F628 HydrophobicContact CH2-CE2 3.54Å; W512-F628 HydrophobicContact CZ2-CD2 4.32Å; W512-F628 HydrophobicContact CZ2-CE2 4.04Å; W512-F628 HydrophobicContact CZ3-CD2 4.33Å; W512-L631 HydrophobicContact CE3-CD1 4.17Å; W512-L631 HydrophobicContact CZ3-CB 4.06Å; W512-L631 HydrophobicContact CZ3-CD1 4.38Å; W512-T632 HydrophobicContact CH2-CG2 3.79Å; W512-T632 HydrophobicContact CZ3-CG2 4.03Å |
| 513 | K | 87.6 | Confident | 79.4 | Confident | 150 Ų | 150 | 65.9 Ų | 65.9 | 65% | 0.652 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104 | 126.5 | 169.4 | -68.3 | -179.1 | -179.4 | 174.8 | 0 | 108 | C539 | K513-C539 HydrophobicContact CB-CB 4.37Å; K513-C539 PolarHBondContact N-O 3.14Å; K513-C539 PolarHBondContact O-N 2.75Å |
| 514 | V | 90.9 | Very high | 80.3 | Confident | 9 Ų | 9 | 65.5 Ų | 65.5 | 6% | 0.055 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 139.6 | 177.4 | 176.2 | 0 | 0 | 0 | 0 | 110.2 | V536 E537 I538 V612 K613 L616 L631 | V514-V536 HydrophobicContact CG1-CG1 3.41Å; V514-V536 VanDerWaalsContact CG1-CG1 3.41Å; V514-E537 WeakPolarHBondContact CA-O 3.49Å; V514-I538 HydrophobicContact CG1-CG1 4.45Å; V514-I538 HydrophobicContact CG2-CB 4.25Å; V514-I538 HydrophobicContact CG2-CG1 3.78Å; V514-I538 HydrophobicContact CG2-CG2 3.95Å; V514-V612 HydrophobicContact CB-CG1 4.13Å; V514-V612 HydrophobicContact CG1-CB 4.38Å; V514-V612 HydrophobicContact CG1-CG1 3.6Å; V514-K613 WeakPolarHBondContact O-CE 3.42Å; V514-K613 WeakPolarHBondContact O-CG 3.5Å; V514-L616 HydrophobicContact CB-CD1 3.71Å; V514-L616 HydrophobicContact CG2-CD1 3.26Å; V514-L631 HydrophobicContact CG1-CD2 4.16Å; V514-L631 HydrophobicContact CG2-CD1 4.14Å; V514-L631 HydrophobicContact CG2-CD2 3.99Å |
| 515 | C | 91.9 | Very high | 81.1 | Confident | 46 Ų | 46 | 74.6 Ų | 74.6 | 31% | 0.311 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 148.2 | 174.4 | -169.1 | 0 | 0 | 0 | 0 | 109.7 | P517 E537 D609 | C515-P517 WeakPolarHBondContact O-CD 3.34Å; C515-E537 PolarHBondContact N-O 3.25Å; C515-E537 PolarHBondContact O-N 2.83Å; C515-D609 VanDerWaalsContact CA-OD1 3.32Å; C515-D609 WeakPolarHBondContact CA-OD1 3.1Å |
| 516 | V | 93 | Very high | 81.8 | Confident | 0 Ų | 0 | 79.5 Ų | 79.5 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 78.8 | 168.6 | -171 | 0 | 0 | 0 | 0 | 108.7 | Y534 V536 R605 D609 | V516-Y534 HydrophobicContact CG1-CD1 3.94Å; V516-Y534 HydrophobicContact CG1-CG 4.27Å; V516-V536 HydrophobicContact CG2-CG1 4.39Å; V516-V536 HydrophobicContact CG2-CG2 4.16Å; V516-R605 HydrophobicContact CB-CG 4.44Å; V516-R605 HydrophobicContact CG1-CG 4Å; V516-R605 VanDerWaalsContact O-CD 3.28Å; V516-R605 WeakPolarHBondContact O-CD 3.5Å; V516-R605 WeakPolarHBondContact O-CG 3.29Å; V516-R605 PolarHBondContact O-NH1 3.37Å; V516-D609 HydrophobicContact CB-CB 4.05Å; V516-D609 HydrophobicContact CG2-CB 4.28Å; V516-D609 PolarHBondContact N-OD1 3.35Å |
| 517 | P | 89.3 | Confident | 82.6 | Confident | 44 Ų | 44 | 78.3 Ų | 78.3 | 29% | 0.286 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | -36.2 | -169.4 | 23.8 | -30.8 | 0 | 0 | 0 | 113.5 | C515 V535 E537 R605 | C515-P517 WeakPolarHBondContact O-CD 3.34Å; P517-V535 WeakPolarHBondContact CD-O 3.41Å; P517-E537 HydrophobicContact CG-CB 4.3Å; P517-E537 HydrophobicContact CG-CG 3.44Å; P517-E537 VanDerWaalsContact CG-CG 3.44Å; P517-E537 WeakPolarHBondContact CG-OE1 3.37Å; P517-R605 WeakPolarHBondContact O-CD 3.46Å; P517-R605 PolarHBondContact O-NH1 3.2Å |
| 518 | R | 90.1 | Very high | 82.8 | Confident | 116 Ų | 116 | 76.3 Ų | 76.3 | 44% | 0.438 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 161.6 | -171.9 | 60.8 | -177.8 | 164.5 | 166.1 | -7 | 113.6 | E520 V535 E537 | R518-E520 VanDerWaalsContact CD-OE1 3.29Å; R518-E520 WeakPolarHBondContact CD-OE1 3.26Å; R518-E520 HydrophobicContact CG-CG 4.28Å; R518-E520 IonicContact CZ-OE1 3.53Å; R518-E520 IonicContact NE-OE1 2.71Å; R518-E520 PolarHBondContact NE-OE1 3.08Å; R518-E520 IonicContact NH1-OE1 3.12Å; R518-E520 PolarHBondContact NH1-OE1 3.32Å; R518-V535 HydrophobicContact CG-CB 4.01Å; R518-V535 HydrophobicContact CG-CG2 4.1Å; R518-V535 PolarHBondContact O-N 3.49Å; R518-V535 VanDerWaalsContact O-N 3.08Å; R518-E537 IonicContact NE-OE1 3.56Å |
| 519 | V | 90.9 | Very high | 83 | Confident | 12 Ų | 12 | 81.9 Ų | 81.9 | 7% | 0.073 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 123 | 173.7 | 174.1 | 0 | 0 | 0 | 0 | 107.4 | Y532 V533 Y534 V601 V602 R605 | V519-Y532 HydrophobicContact CG1-CD1 4.28Å; V519-Y532 HydrophobicContact CG1-CG 4.48Å; V519-V533 CarbonylContact C-O 3.54Å; V519-V533 VanDerWaalsContact CA-O 3.26Å; V519-V533 WeakPolarHBondContact CA-O 3.45Å; V519-V533 WeakPolarHBondContact CG1-O 3.42Å; V519-Y534 HydrophobicContact CG2-CD1 3.65Å; V519-Y534 HydrophobicContact CG2-CE1 3.79Å; V519-V601 HydrophobicContact CB-CG1 4.44Å; V519-V601 HydrophobicContact CG1-CB 4.1Å; V519-V601 HydrophobicContact CG1-CG1 3.46Å; V519-V601 VanDerWaalsContact CG1-CG1 3.46Å; V519-V601 HydrophobicContact CG2-CG1 4.07Å; V519-V602 HydrophobicContact CB-CG2 4.21Å; V519-V602 HydrophobicContact CG2-CG2 4.42Å; V519-R605 HydrophobicContact CG2-CB 4.35Å; V519-R605 HydrophobicContact CG2-CG 4.45Å |
| 520 | E | 89.4 | Confident | 82.9 | Confident | 40 Ų | 40 | 85.8 Ų | 85.8 | 19% | 0.187 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 144.3 | -176.9 | -64.4 | -165.3 | 158.3 | 0 | 0 | 111.5 | R518 R522 Y532 V533 V535 | R518-E520 VanDerWaalsContact CD-OE1 3.29Å; R518-E520 WeakPolarHBondContact CD-OE1 3.26Å; R518-E520 HydrophobicContact CG-CG 4.28Å; R518-E520 IonicContact CZ-OE1 3.53Å; R518-E520 IonicContact NE-OE1 2.71Å; R518-E520 PolarHBondContact NE-OE1 3.08Å; R518-E520 IonicContact NH1-OE1 3.12Å; R518-E520 PolarHBondContact NH1-OE1 3.32Å; E520-R522 IonicContact OE2-CZ 2.65Å; E520-R522 IonicContact OE2-NH1 3.4Å; E520-R522 PolarHBondContact OE2-NH1 3.36Å; E520-R522 IonicContact OE2-NH2 3.28Å; E520-R522 PolarHBondContact OE2-NH2 3.01Å; E520-Y532 WeakPolarHBondContact O-CA 3.31Å; E520-V533 PolarHBondContact N-O 2.94Å; E520-V533 PolarHBondContact O-N 3.26Å; E520-V535 HydrophobicContact CB-CG2 4.15Å; E520-V535 HydrophobicContact CG-CG2 3.77Å |
| 521 | P | 87.6 | Confident | 83 | Confident | 68 Ų | 68 | 85.7 Ų | 85.7 | 44% | 0.442 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 128.2 | 168 | 30.2 | -29.9 | 0 | 0 | 0 | 109.9 | T531 Y532 | P521-T531 CarbonylContact C-O 3.58Å; P521-T531 WeakPolarHBondContact CA-O 3.48Å; P521-Y532 HydrophobicContact CB-CD1 4.1Å; P521-Y532 HydrophobicContact CB-CE1 3.86Å; P521-Y532 HydrophobicContact CG-CE1 4.5Å |
| 522 | R | 84.8 | Confident | 83.3 | Confident | 90 Ų | 90 | 83.1 Ų | 83.1 | 34% | 0.34 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 138.5 | 168.8 | -66.8 | -70 | -175.7 | -101.3 | -9.4 | 109.2 | E520 T530 T531 V533 D560 | E520-R522 IonicContact OE2-CZ 2.65Å; E520-R522 IonicContact OE2-NH1 3.4Å; E520-R522 PolarHBondContact OE2-NH1 3.36Å; E520-R522 IonicContact OE2-NH2 3.28Å; E520-R522 PolarHBondContact OE2-NH2 3.01Å; R522-T530 CarbonylContact O-C 3.55Å; R522-T530 WeakPolarHBondContact O-CA 3.38Å; R522-T531 PolarHBondContact N-O 3.49Å; R522-T531 PolarHBondContact O-N 2.99Å; R522-V533 HydrophobicContact CB-CG1 4.27Å; R522-V533 HydrophobicContact CG-CB 4.46Å; R522-V533 HydrophobicContact CG-CG1 4.04Å; R522-V533 HydrophobicContact CG-CG2 3.53Å; R522-D560 IonicContact CZ-OD2 3.87Å; R522-D560 IonicContact NE-OD2 3.89Å; R522-D560 PolarHBondContact NE-OD2 3.13Å; R522-D560 IonicContact NH2-OD1 3.82Å; R522-D560 IonicContact NH2-OD2 2.99Å; R522-D560 PolarHBondContact NH2-OD2 2.99Å; R522-D560 VanDerWaalsContact NH2-OD2 3.12Å |
| 523 | R | 79.4 | Confident | 83.4 | Confident | 204 Ų | 204 | 82.9 Ų | 82.9 | 77% | 0.77 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 120.4 | 171 | -77.5 | -175.7 | 176.8 | -176.4 | 0.3 | 108 | Q525 T530 | R523-Q525 PolarHBondContact O-N 3.12Å; R523-T530 HydrophobicContact CG-CG2 3.79Å |
| 524 | D | 71 | Confident | 83.6 | Confident | 54 Ų | 54 | 75.7 Ų | 75.7 | 29% | 0.289 | 37% | 0.374 | S | S | . | . | trans | -67.7 | 119.2 | 171.2 | 177.4 | 2.6 | 0 | 0 | 0 | 108.7 | H526 T527 G528 R529 | D524-H526 PolarHBondContact O-N 3.38Å; D524-H526 PolarHBondContact OD1-N 3.07Å; D524-H526 VanDerWaalsContact OD1-N 3.08Å; D524-T527 WeakPolarHBondContact CB-OG1 3.43Å; D524-T527 VanDerWaalsContact CG-OG1 3.26Å; D524-T527 WeakPolarHBondContact OD2-CB 3.21Å; D524-T527 VanDerWaalsContact OD2-CG2 3.29Å; D524-T527 WeakPolarHBondContact OD2-CG2 3.35Å; D524-T527 PolarHBondContact OD2-OG1 3.45Å; D524-G528 WeakPolarHBondContact O-CA 3.5Å; D524-G528 PolarHBondContact O-N 3.2Å; D524-R529 PolarHBondContact N-O 3.27Å | ||
| 525 | Q | 75.4 | Confident | 83.6 | Confident | 202 Ų | 202 | 75.4 Ų | 75.4 | 94% | 0.944 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -31.5 | -177.8 | -66.8 | -179.1 | 4.7 | 0 | 0 | 111.8 | R523 | R523-Q525 PolarHBondContact O-N 3.12Š|
| 526 | H | 67.5 | Low | 83.6 | Confident | 178 Ų | 178 | 73.3 Ų | 73.3 | 82% | 0.824 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -35.4 | -174.7 | -165.2 | 64.2 | 0 | 0 | 0 | 113.2 | D524 | D524-H526 PolarHBondContact O-N 3.38Å; D524-H526 PolarHBondContact OD1-N 3.07Å; D524-H526 VanDerWaalsContact OD1-N 3.08Å |
| 527 | T | 73 | Confident | 83.5 | Confident | 76 Ų | 76 | 75.2 Ų | 75.2 | 47% | 0.466 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -10.1 | -175.3 | 68.8 | 0 | 0 | 0 | 0 | 114.5 | D524 R529 | D524-T527 WeakPolarHBondContact CB-OG1 3.43Å; D524-T527 VanDerWaalsContact CG-OG1 3.26Å; D524-T527 WeakPolarHBondContact OD2-CB 3.21Å; D524-T527 VanDerWaalsContact OD2-CG2 3.29Å; D524-T527 WeakPolarHBondContact OD2-CG2 3.35Å; D524-T527 PolarHBondContact OD2-OG1 3.45Å; T527-R529 PolarHBondContact O-N 3.39Å; T527-R529 VanDerWaalsContact O-N 3.1Å |
| 528 | G | 72.5 | Confident | 83.6 | Confident | 59 Ų | 59 | 73.1 Ų | 73.1 | 61% | 0.608 | 35% | 0.353 | S | S | * | . | trans | 66.7 | 2.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | D524 | D524-G528 WeakPolarHBondContact O-CA 3.5Å; D524-G528 PolarHBondContact O-N 3.2Å | ||
| 529 | R | 78.8 | Confident | 83.5 | Confident | 185 Ų | 185 | 68.8 Ų | 68.8 | 70% | 0.698 | 34% | 0.34 | S | S | * | . | trans | -82.7 | 138.9 | -177.8 | -67.3 | -177.5 | 177.2 | 178.6 | 1.3 | 110.8 | D524 T527 T531 | D524-R529 PolarHBondContact N-O 3.27Å; T527-R529 PolarHBondContact O-N 3.39Å; T527-R529 VanDerWaalsContact O-N 3.1Å; R529-T531 PolarHBondContact O-N 2.83Å | ||
| 530 | T | 79.2 | Confident | 83.1 | Confident | 84 Ų | 84 | 68.9 Ų | 68.9 | 52% | 0.515 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 111.3 | 169.4 | 47.7 | 0 | 0 | 0 | 0 | 109.3 | R522 R523 | R522-T530 CarbonylContact O-C 3.55Å; R522-T530 WeakPolarHBondContact O-CA 3.38Å; R523-T530 HydrophobicContact CG-CG2 3.79Å |
| 531 | T | 82.1 | Confident | 82.5 | Confident | 46 Ų | 46 | 69.2 Ų | 69.2 | 28% | 0.282 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 147.4 | 174.2 | 62.9 | 0 | 0 | 0 | 0 | 109.7 | P521 R522 R529 | P521-T531 CarbonylContact C-O 3.58Å; P521-T531 WeakPolarHBondContact CA-O 3.48Å; R522-T531 PolarHBondContact N-O 3.49Å; R522-T531 PolarHBondContact O-N 2.99Å; R529-T531 PolarHBondContact O-N 2.83Å |
| 532 | Y | 87.7 | Confident | 81.6 | Confident | 69 Ų | 69 | 67.4 Ų | 67.4 | 27% | 0.271 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 124.1 | 177.6 | -67.6 | -76.4 | 0 | 0 | 0 | 109.7 | V519 E520 P521 R598 | V519-Y532 HydrophobicContact CG1-CD1 4.28Å; V519-Y532 HydrophobicContact CG1-CG 4.48Å; E520-Y532 WeakPolarHBondContact O-CA 3.31Å; P521-Y532 HydrophobicContact CB-CD1 4.1Å; P521-Y532 HydrophobicContact CB-CE1 3.86Å; P521-Y532 HydrophobicContact CG-CE1 4.5Å; Y532-R598 HydrophobicContact CD1-CB 4.35Å; Y532-R598 HydrophobicContact CD1-CG 4.03Å; Y532-R598 HydrophobicContact CD2-CB 4.37Å; Y532-R598 HydrophobicContact CE1-CB 3.79Å; Y532-R598 HydrophobicContact CE1-CG 3.61Å; Y532-R598 HydrophobicContact CE2-CB 3.82Å |
| 533 | V | 89.3 | Confident | 80.5 | Confident | 8 Ų | 8 | 66.7 Ų | 66.7 | 5% | 0.048 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 149.1 | 178.6 | -56.5 | 0 | 0 | 0 | 0 | 110.5 | V519 E520 R522 D560 R562 | V519-V533 CarbonylContact C-O 3.54Å; V519-V533 VanDerWaalsContact CA-O 3.26Å; V519-V533 WeakPolarHBondContact CA-O 3.45Å; V519-V533 WeakPolarHBondContact CG1-O 3.42Å; E520-V533 PolarHBondContact N-O 2.94Å; E520-V533 PolarHBondContact O-N 3.26Å; R522-V533 HydrophobicContact CB-CG1 4.27Å; R522-V533 HydrophobicContact CG-CB 4.46Å; R522-V533 HydrophobicContact CG-CG1 4.04Å; R522-V533 HydrophobicContact CG-CG2 3.53Å; V533-D560 HydrophobicContact CB-CB 4.29Å; V533-D560 HydrophobicContact CG2-CB 4.05Å; V533-R562 HydrophobicContact CG1-CG 4.21Å |
| 534 | Y | 92 | Very high | 79.1 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 119.6 | 168.1 | -62.4 | -83.8 | 0 | 0 | 0 | 107.9 | V516 V519 V536 R561 F566 V601 W604 R605 F608 | V516-Y534 HydrophobicContact CG1-CD1 3.94Å; V516-Y534 HydrophobicContact CG1-CG 4.27Å; V519-Y534 HydrophobicContact CG2-CD1 3.65Å; V519-Y534 HydrophobicContact CG2-CE1 3.79Å; Y534-V536 PolarHBondContact O-N 2.98Å; Y534-R561 WeakPolarHBondContact CB-O 3.34Å; Y534-R561 WeakPolarHBondContact CD2-O 2.92Å; Y534-R561 PolarHBondContact N-O 3.03Å; Y534-R561 PolarHBondContact O-N 3.46Å; Y534-F566 AromaticContact CD2-CE2 3.73Å; Y534-F566 HydrophobicContact CD2-CE2 3.73Å; Y534-F566 HydrophobicContact CE2-CE2 4.4Å; Y534-F566 HydrophobicContact CG-CE2 4.13Å; Y534-V601 HydrophobicContact CD1-CG1 4.45Å; Y534-V601 HydrophobicContact CD2-CG1 4.41Å; Y534-V601 HydrophobicContact CE1-CG1 3.75Å; Y534-V601 VanDerWaalsContact CE1-O 3.23Å; Y534-V601 WeakPolarHBondContact CE1-O 3.38Å; Y534-V601 HydrophobicContact CE2-CG1 3.7Å; Y534-V601 WeakPolarHBondContact OH-CA 3.45Å; Y534-V601 VanDerWaalsContact OH-CG1 3.3Å; Y534-V601 WeakPolarHBondContact OH-CG1 3.21Å; Y534-V601 PolarHBondContact OH-O 3.12Å; Y534-W604 WeakPolarHBondContact OH-CB 3.4Å; Y534-R605 HydrophobicContact CD1-CB 4.36Å; Y534-R605 HydrophobicContact CD1-CG 4.48Å; Y534-R605 HydrophobicContact CE1-CB 4.09Å; Y534-F608 HydrophobicContact CD1-CD2 4.33Å; Y534-F608 HydrophobicContact CD2-CD2 4.31Å; Y534-F608 AromaticContact CE1-CD2 3.82Å; Y534-F608 HydrophobicContact CE1-CD2 3.82Å; Y534-F608 HydrophobicContact CE1-CE2 4.31Å; Y534-F608 AromaticContact CE2-CD2 3.8Å; Y534-F608 HydrophobicContact CE2-CD2 3.8Å; Y534-F608 AromaticContact CE2-CE2 3.71Å; Y534-F608 HydrophobicContact CE2-CE2 3.71Å; Y534-F608 AromaticContact CZ-CD2 3.52Å; Y534-F608 AromaticContact CZ-CE2 3.56Å; Y534-F608 WeakPolarHBondContact OH-CE2 3.42Å |
| 535 | V | 91.5 | Very high | 78.2 | Confident | 3 Ų | 3 | 65.6 Ų | 65.6 | 2% | 0.018 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 110.5 | 171.5 | -175.7 | 0 | 0 | 0 | 0 | 106.4 | P517 R518 E520 E537 N558 | P517-V535 WeakPolarHBondContact CD-O 3.41Å; R518-V535 HydrophobicContact CG-CB 4.01Å; R518-V535 HydrophobicContact CG-CG2 4.1Å; R518-V535 PolarHBondContact O-N 3.49Å; R518-V535 VanDerWaalsContact O-N 3.08Å; E520-V535 HydrophobicContact CB-CG2 4.15Å; E520-V535 HydrophobicContact CG-CG2 3.77Å; V535-E537 HydrophobicContact CG1-CG 4.28Å; V535-N558 HydrophobicContact CG1-CB 3.92Å |
| 536 | V | 92 | Very high | 77.1 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.006 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 114 | 174.9 | -172.6 | 0 | 0 | 0 | 0 | 106.8 | V514 V516 Y534 I538 N558 V559 R561 F566 L631 | V514-V536 HydrophobicContact CG1-CG1 3.41Å; V514-V536 VanDerWaalsContact CG1-CG1 3.41Å; V516-V536 HydrophobicContact CG2-CG1 4.39Å; V516-V536 HydrophobicContact CG2-CG2 4.16Å; Y534-V536 PolarHBondContact O-N 2.98Å; V536-I538 HydrophobicContact CB-CD1 4.37Å; V536-I538 HydrophobicContact CG1-CD1 4Å; V536-I538 HydrophobicContact CG1-CG1 4.31Å; V536-I538 VanDerWaalsContact O-CD1 3.31Å; V536-I538 WeakPolarHBondContact O-CD1 3.26Å; V536-N558 CarbonylContact O-C 3.54Å; V536-N558 VanDerWaalsContact O-CA 3.32Å; V536-N558 WeakPolarHBondContact O-CA 3.3Å; V536-V559 WeakPolarHBondContact CB-O 3.15Å; V536-V559 PolarHBondContact N-O 2.86Å; V536-V559 PolarHBondContact O-N 2.83Å; V536-R561 HydrophobicContact CG2-CB 4.15Å; V536-R561 HydrophobicContact CG2-CG 3.95Å; V536-F566 HydrophobicContact CG2-CZ 4.29Å; V536-L631 HydrophobicContact CG1-CD2 4.16Å |
| 537 | E | 90.8 | Very high | 76 | Confident | 40 Ų | 40 | 60 Ų | 60 | 19% | 0.187 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 126.9 | 176.5 | -54.5 | -168 | 172.7 | 0 | 0 | 109 | V514 C515 P517 R518 V535 N558 | V514-E537 WeakPolarHBondContact CA-O 3.49Å; C515-E537 PolarHBondContact N-O 3.25Å; C515-E537 PolarHBondContact O-N 2.83Å; P517-E537 HydrophobicContact CG-CB 4.3Å; P517-E537 HydrophobicContact CG-CG 3.44Å; P517-E537 VanDerWaalsContact CG-CG 3.44Å; P517-E537 WeakPolarHBondContact CG-OE1 3.37Å; R518-E537 IonicContact NE-OE1 3.56Å; V535-E537 HydrophobicContact CG1-CG 4.28Å; E537-N558 WeakPolarHBondContact CA-OD1 3.17Å; E537-N558 WeakPolarHBondContact CB-OD1 3.44Å; E537-N558 WeakPolarHBondContact CG-OD1 3.45Å |
| 538 | I | 91.3 | Very high | 74.8 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 127.4 | -178.3 | -54.8 | 94.7 | 0 | 0 | 0 | 108.3 | W512 V514 V536 Q556 W557 V559 L631 | W512-I538 HydrophobicContact CD2-CG2 4.38Å; W512-I538 HydrophobicContact CE3-CG2 3.81Å; W512-I538 HydrophobicContact CZ3-CG2 4.41Å; V514-I538 HydrophobicContact CG1-CG1 4.45Å; V514-I538 HydrophobicContact CG2-CB 4.25Å; V514-I538 HydrophobicContact CG2-CG1 3.78Å; V514-I538 HydrophobicContact CG2-CG2 3.95Å; V536-I538 HydrophobicContact CB-CD1 4.37Å; V536-I538 HydrophobicContact CG1-CD1 4Å; V536-I538 HydrophobicContact CG1-CG1 4.31Å; V536-I538 VanDerWaalsContact O-CD1 3.31Å; V536-I538 WeakPolarHBondContact O-CD1 3.26Å; I538-Q556 VanDerWaalsContact O-CA 3.3Å; I538-Q556 WeakPolarHBondContact O-CA 3.45Å; I538-W557 HydrophobicContact CB-CD2 4.11Å; I538-W557 HydrophobicContact CB-CH2 4.31Å; I538-W557 HydrophobicContact CB-CZ2 3.81Å; I538-W557 HydrophobicContact CG2-CD2 4.42Å; I538-W557 HydrophobicContact CG2-CH2 3.56Å; I538-W557 HydrophobicContact CG2-CZ2 3.34Å; I538-W557 HydrophobicContact CG2-CZ3 4.18Å; I538-W557 PolarHBondContact N-O 3.14Å; I538-W557 PolarHBondContact O-N 3.19Å; I538-V559 HydrophobicContact CD1-CB 4.15Å; I538-V559 HydrophobicContact CD1-CG2 3.89Å; I538-L631 WeakPolarHBondContact CD1-O 2.99Å; I538-L631 HydrophobicContact CG1-CB 4.39Å; I538-L631 HydrophobicContact CG1-CD2 4.11Å |
| 539 | C | 86.4 | Confident | 73.5 | Confident | 26 Ų | 26 | 66.7 Ų | 66.7 | 18% | 0.176 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 120.3 | 175 | -58.5 | 0 | 0 | 0 | 0 | 109.4 | K513 M554 L555 | K513-C539 HydrophobicContact CB-CB 4.37Å; K513-C539 PolarHBondContact N-O 3.14Å; K513-C539 PolarHBondContact O-N 2.75Å; C539-M554 HydrophobicContact CB-CE 4.16Å; C539-L555 CarbonylContact C-O 3.31Å; C539-L555 WeakPolarHBondContact CA-O 3.3Å |
| 540 | R | 83 | Confident | 72 | Confident | 13 Ų | 13 | 66.5 Ų | 66.5 | 5% | 0.049 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 121.7 | 171.9 | -178 | 179.9 | -177.2 | -156.8 | 0.1 | 109.4 | V503 L504 S505 P506 L542 L555 W557 | V503-R540 PolarHBondContact O-NH1 2.63Å; L504-R540 VanDerWaalsContact C-NH1 3.33Å; L504-R540 VanDerWaalsContact CA-NH1 3.29Å; L504-R540 PolarHBondContact O-NH1 3.32Å; S505-R540 PolarHBondContact O-NH2 2.93Å; P506-R540 PolarHBondContact O-NH2 3.13Å; R540-L542 HydrophobicContact CG-CD2 4.49Å; R540-L542 HydrophobicContact CG-CG 4.41Å; R540-L555 HydrophobicContact CB-CB 4.37Å; R540-L555 PolarHBondContact N-O 3.34Å; R540-L555 PolarHBondContact O-N 3.46Å; R540-W557 HydrophobicContact CB-CH2 4.07Å; R540-W557 HydrophobicContact CB-CZ3 3.81Å |
| 541 | T | 77.8 | Confident | 70.5 | Confident | 48 Ų | 48 | 65 Ų | 65 | 29% | 0.294 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 111.9 | 170.1 | -54.9 | 0 | 0 | 0 | 0 | 108.7 | ||
| 542 | L | 69.1 | Low | 69.1 | Low | 30 Ų | 30 | 66.8 Ų | 66.8 | 16% | 0.157 | 40% | 0.397 | C | S | . | . | trans | -92.4 | 142.7 | 169.4 | -73.3 | 173.4 | 0 | 0 | 0 | 109.4 | R540 Y553 L555 | R540-L542 HydrophobicContact CG-CD2 4.49Å; R540-L542 HydrophobicContact CG-CG 4.41Å; L542-Y553 HydrophobicContact CB-CE2 4.14Å; L542-Y553 HydrophobicContact CD1-CD2 4.33Å; L542-Y553 HydrophobicContact CD1-CE2 3.5Å; L542-Y553 VanDerWaalsContact CD1-CE2 3.5Å; L542-Y553 HydrophobicContact CG-CE2 4.45Å; L542-L555 HydrophobicContact CD1-CD1 3.33Å; L542-L555 HydrophobicContact CD1-CG 3.99Å; L542-L555 HydrophobicContact CG-CD1 4.21Å | ||
| 543 | S | 61.1 | Low | 67.9 | Low | 75 Ų | 75 | 68.6 Ų | 68.6 | 52% | 0.524 | 40% | 0.404 | S | S | . | . | trans | -125.8 | 98.4 | 174.6 | 46.2 | 0 | 0 | 0 | 0 | 104.9 | K511 P545 | K511-S543 PolarHBondContact NZ-OG 3.32Å; S543-P545 WeakPolarHBondContact O-CD 3.38Å | ||
| 544 | D | 50.4 | Low | 67.1 | Low | 104 Ų | 104 | 73.7 Ų | 73.7 | 56% | 0.556 | 43% | 0.429 | S | S | * | . | trans | -69.9 | 128.5 | 180 | -105.3 | -33.9 | 0 | 0 | 0 | 109.7 | A546 Y553 | D544-A546 VanDerWaalsContact C-N 3.27Å; D544-A546 PolarHBondContact O-N 3.01Å; D544-Y553 WeakPolarHBondContact OD2-CE1 3.49Å; D544-Y553 PolarHBondContact OD2-OH 2.95Å | ||
| 545 | P | 52.2 | Low | 66.6 | Low | 131 Ų | 131 | 75.6 Ų | 75.6 | 85% | 0.851 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -79.5 | -0.9 | 176.7 | -8.8 | 24.5 | 0 | 0 | 0 | 114.5 | S543 | S543-P545 WeakPolarHBondContact O-CD 3.38Š|
| 546 | A | 52 | Low | 66.2 | Low | 77 Ų | 77 | 81 Ų | 81 | 64% | 0.636 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -138.7 | 77.9 | -165.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D544 | D544-A546 VanDerWaalsContact C-N 3.27Å; D544-A546 PolarHBondContact O-N 3.01Å |
| 547 | E | 43.7 | Very low | 66 | Low | 186 Ų | 186 | 82.1 Ų | 82.1 | 87% | 0.869 | 47% | 0.468 | S | S | * | . | trans | 162.9 | 131.3 | 140.4 | -89.2 | -179 | -169.8 | 0 | 0 | 108 | G549 | E547-G549 PolarHBondContact O-N 3.46Š| ||
| 548 | E | 48.7 | Very low | 65.9 | Low | 216 Ų | 216 | 83.4 Ų | 83.4 | 100% | 1.009 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -69.7 | 36.6 | -167.9 | -66.3 | 178.8 | 140.2 | 0 | 0 | 115.2 | ||
| 549 | G | 45.5 | Very low | 65.8 | Low | 59 Ų | 59 | 83.6 Ų | 83.6 | 61% | 0.608 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -111.8 | 125 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | E547 G551 | E547-G549 PolarHBondContact O-N 3.46Å; G549-G551 PolarHBondContact O-N 3.05Å |
| 550 | D | 47.3 | Very low | 66 | Low | 180 Ų | 180 | 84.9 Ų | 84.9 | 96% | 0.963 | 48% | 0.482 | S | S | * | . | trans | -63.2 | 67.1 | -177.4 | -165 | 18.8 | 0 | 0 | 0 | 113.4 | ||||
| 551 | G | 47.6 | Very low | 66.3 | Low | 52 Ų | 52 | 84.2 Ų | 84.2 | 54% | 0.536 | 48% | 0.48 | S | S | . | . | trans | -118.2 | 75.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G549 Y553 | G549-G551 PolarHBondContact O-N 3.05Å; G551-Y553 PolarHBondContact O-N 3.23Å | ||
| 552 | C | 51.5 | Low | 66.8 | Low | 85 Ų | 85 | 84.5 Ų | 84.5 | 57% | 0.574 | 48% | 0.475 | S | S | * | . | trans | -69.4 | 112.8 | 163 | -178.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 553 | Y | 63.8 | Low | 67.6 | Low | 106 Ų | 106 | 83.4 Ų | 83.4 | 42% | 0.416 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -100 | 134.7 | 168.8 | 59.4 | -83.5 | 0 | 0 | 0 | 110.8 | L542 D544 G551 L555 | L542-Y553 HydrophobicContact CB-CE2 4.14Å; L542-Y553 HydrophobicContact CD1-CD2 4.33Å; L542-Y553 HydrophobicContact CD1-CE2 3.5Å; L542-Y553 VanDerWaalsContact CD1-CE2 3.5Å; L542-Y553 HydrophobicContact CG-CE2 4.45Å; D544-Y553 WeakPolarHBondContact OD2-CE1 3.49Å; D544-Y553 PolarHBondContact OD2-OH 2.95Å; G551-Y553 PolarHBondContact O-N 3.23Å; Y553-L555 HydrophobicContact CD2-CG 4.49Å |
| 554 | M | 71.8 | Confident | 68.7 | Low | 116 Ų | 116 | 82.2 Ų | 82.2 | 57% | 0.571 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 120.6 | 176 | -67.8 | -171.8 | 71 | 0 | 0 | 108.9 | C539 | C539-M554 HydrophobicContact CB-CE 4.16Å |
| 555 | L | 81.6 | Confident | 70.4 | Confident | 40 Ų | 40 | 77.3 Ų | 77.3 | 21% | 0.209 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 124.5 | 167.9 | -67.9 | 172.2 | 0 | 0 | 0 | 108.3 | V503 C539 R540 L542 Y553 W557 | V503-L555 HydrophobicContact CG1-CD1 3.42Å; V503-L555 VanDerWaalsContact CG1-CD1 3.42Å; V503-L555 HydrophobicContact CG1-CD2 4.23Å; V503-L555 HydrophobicContact CG1-CG 4.48Å; C539-L555 CarbonylContact C-O 3.31Å; C539-L555 WeakPolarHBondContact CA-O 3.3Å; R540-L555 HydrophobicContact CB-CB 4.37Å; R540-L555 PolarHBondContact N-O 3.34Å; R540-L555 PolarHBondContact O-N 3.46Å; L542-L555 HydrophobicContact CD1-CD1 3.33Å; L542-L555 HydrophobicContact CD1-CG 3.99Å; L542-L555 HydrophobicContact CG-CD1 4.21Å; Y553-L555 HydrophobicContact CD2-CG 4.49Å; L555-W557 HydrophobicContact CB-CE3 4.44Å; L555-W557 HydrophobicContact CB-CZ3 4.23Å |
| 556 | Q | 81.8 | Confident | 72.2 | Confident | 116 Ų | 116 | 71.1 Ų | 71.1 | 54% | 0.542 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 127.8 | 175 | -177.6 | 172.2 | -5.7 | 0 | 0 | 109.4 | I538 | I538-Q556 VanDerWaalsContact O-CA 3.3Å; I538-Q556 WeakPolarHBondContact O-CA 3.45Å |
| 557 | W | 89 | Confident | 73.9 | Confident | 24 Ų | 24 | 68.3 Ų | 68.3 | 9% | 0.091 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 158.8 | 173 | 69.1 | 96.3 | 0 | 0 | 0 | 110.1 | L499 L504 W512 I538 R540 L555 L631 T632 | L499-W557 HydrophobicContact CD2-CB 4.39Å; L499-W557 HydrophobicContact CD2-CD2 4.28Å; L499-W557 HydrophobicContact CD2-CE3 4.39Å; L499-W557 HydrophobicContact CD2-CG 4.29Å; L504-W557 HydrophobicContact CD2-CE3 4.45Å; L504-W557 HydrophobicContact CD2-CH2 3.64Å; L504-W557 HydrophobicContact CD2-CZ2 3.99Å; L504-W557 HydrophobicContact CD2-CZ3 3.9Å; W512-W557 HydrophobicContact CD2-CH2 4.3Å; W512-W557 HydrophobicContact CE3-CH2 4.16Å; W512-W557 HydrophobicContact CE3-CZ2 4.07Å; W512-W557 AromaticContact CH2-CH2 3.97Å; W512-W557 HydrophobicContact CH2-CH2 3.97Å; W512-W557 AromaticContact CH2-CZ2 3.85Å; W512-W557 HydrophobicContact CH2-CZ2 3.85Å; W512-W557 HydrophobicContact CZ2-CH2 4.14Å; W512-W557 HydrophobicContact CZ2-CZ2 4.48Å; W512-W557 HydrophobicContact CZ3-CH2 4Å; W512-W557 AromaticContact CZ3-CZ2 3.64Å; W512-W557 HydrophobicContact CZ3-CZ2 3.64Å; I538-W557 HydrophobicContact CB-CD2 4.11Å; I538-W557 HydrophobicContact CB-CH2 4.31Å; I538-W557 HydrophobicContact CB-CZ2 3.81Å; I538-W557 HydrophobicContact CG2-CD2 4.42Å; I538-W557 HydrophobicContact CG2-CH2 3.56Å; I538-W557 HydrophobicContact CG2-CZ2 3.34Å; I538-W557 HydrophobicContact CG2-CZ3 4.18Å; I538-W557 PolarHBondContact N-O 3.14Å; I538-W557 PolarHBondContact O-N 3.19Å; R540-W557 HydrophobicContact CB-CH2 4.07Å; R540-W557 HydrophobicContact CB-CZ3 3.81Å; L555-W557 HydrophobicContact CB-CE3 4.44Å; L555-W557 HydrophobicContact CB-CZ3 4.23Å; W557-L631 PolarHBondContact NE1-O 2.99Å; W557-T632 HydrophobicContact CZ2-CG2 4.19Å |
| 558 | N | 88.5 | Confident | 75.8 | Confident | 68 Ų | 68 | 61.4 Ų | 61.4 | 36% | 0.364 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 141 | -177.6 | -60.2 | -22.3 | 0 | 0 | 0 | 109.6 | V535 V536 E537 | V535-N558 HydrophobicContact CG1-CB 3.92Å; V536-N558 CarbonylContact O-C 3.54Å; V536-N558 VanDerWaalsContact O-CA 3.32Å; V536-N558 WeakPolarHBondContact O-CA 3.3Å; E537-N558 WeakPolarHBondContact CA-OD1 3.17Å; E537-N558 WeakPolarHBondContact CB-OD1 3.44Å; E537-N558 WeakPolarHBondContact CG-OD1 3.45Å |
| 559 | V | 89.2 | Confident | 77.6 | Confident | 3 Ų | 3 | 51.1 Ų | 51.1 | 2% | 0.018 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 127.2 | 179.7 | 178.2 | 0 | 0 | 0 | 0 | 109.6 | V536 I538 R561 L631 A633 | V536-V559 WeakPolarHBondContact CB-O 3.15Å; V536-V559 PolarHBondContact N-O 2.86Å; V536-V559 PolarHBondContact O-N 2.83Å; I538-V559 HydrophobicContact CD1-CB 4.15Å; I538-V559 HydrophobicContact CD1-CG2 3.89Å; V559-R561 HydrophobicContact CG1-CG 4.29Å; V559-R561 VanDerWaalsContact CG1-NH2 3.32Å; V559-L631 VanDerWaalsContact CG2-O 3.3Å; V559-L631 WeakPolarHBondContact CG2-O 3.3Å; V559-A633 VanDerWaalsContact CG1-O 3.31Å; V559-A633 WeakPolarHBondContact CG1-O 3.41Å |
| 560 | D | 90.1 | Very high | 79.6 | Confident | 53 Ų | 53 | 49.3 Ų | 49.3 | 28% | 0.283 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 126.9 | 178.8 | -72.2 | -10.6 | 0 | 0 | 0 | 109.9 | R522 V533 | R522-D560 IonicContact CZ-OD2 3.87Å; R522-D560 IonicContact NE-OD2 3.89Å; R522-D560 PolarHBondContact NE-OD2 3.13Å; R522-D560 IonicContact NH2-OD1 3.82Å; R522-D560 IonicContact NH2-OD2 2.99Å; R522-D560 PolarHBondContact NH2-OD2 2.99Å; R522-D560 VanDerWaalsContact NH2-OD2 3.12Å; V533-D560 HydrophobicContact CB-CB 4.29Å; V533-D560 HydrophobicContact CG2-CB 4.05Å |
| 561 | R | 90.2 | Very high | 81.2 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 138.8 | 178.8 | -66.9 | -67.6 | 177.5 | -111.8 | 10.6 | 112.2 | Y534 V536 V559 F566 T629 F630 A633 E635 | Y534-R561 WeakPolarHBondContact CB-O 3.34Å; Y534-R561 WeakPolarHBondContact CD2-O 2.92Å; Y534-R561 PolarHBondContact N-O 3.03Å; Y534-R561 PolarHBondContact O-N 3.46Å; V536-R561 HydrophobicContact CG2-CB 4.15Å; V536-R561 HydrophobicContact CG2-CG 3.95Å; V559-R561 HydrophobicContact CG1-CG 4.29Å; V559-R561 VanDerWaalsContact CG1-NH2 3.32Å; R561-F566 HydrophobicContact CB-CE2 3.9Å; R561-F566 HydrophobicContact CB-CZ 4.08Å; R561-T629 PolarHBondContact NH2-O 2.89Å; R561-F630 HydrophobicContact CB-CZ 4.14Å; R561-F630 HydrophobicContact CG-CE1 4Å; R561-F630 HydrophobicContact CG-CE2 4.21Å; R561-F630 HydrophobicContact CG-CZ 3.69Å; R561-F630 PolarHBondContact NE-O 2.87Å; R561-F630 PolarHBondContact NH2-O 3.36Å; R561-A633 VanDerWaalsContact CZ-O 3.24Å; R561-A633 PolarHBondContact NH1-O 3.01Å; R561-A633 PolarHBondContact NH2-O 3.2Å; R561-E635 PolarHBondContact NH1-O 2.82Å |
| 562 | R | 87 | Confident | 82.7 | Confident | 54 Ų | 54 | 43.1 Ų | 43.1 | 20% | 0.204 | 22% | 0.22 | C | C | . | . | trans | -91 | 157.9 | 177.1 | -57.4 | -168.4 | -56.1 | -174.5 | 1.9 | 111.1 | V533 H564 E565 F566 E636 | V533-R562 HydrophobicContact CG1-CG 4.21Å; R562-H564 PolarHBondContact NE-CE1 2.93Å; R562-H564 PolarHBondContact NE-NE2 2.99Å; R562-H564 PolarHBondContact NH2-CE1 3.13Å; R562-H564 PolarHBondContact NH2-NE2 2.86Å; R562-H564 PolarHBondContact O-N 3.23Å; R562-H564 VanDerWaalsContact O-N 3.08Å; R562-E565 HydrophobicContact CB-CG 4.42Å; R562-E565 WeakPolarHBondContact CB-OE2 3.47Å; R562-E565 PolarHBondContact N-OE2 3.15Å; R562-E565 PolarHBondContact O-N 3.43Å; R562-F566 WeakPolarHBondContact O-CD2 3.28Å; R562-E636 WeakPolarHBondContact CD-OE1 3.28Å; R562-E636 IonicContact CZ-OE1 3.55Å; R562-E636 IonicContact CZ-OE2 3.96Å; R562-E636 IonicContact NE-OE1 3.29Å; R562-E636 PolarHBondContact NE-OE1 3.26Å; R562-E636 IonicContact NE-OE2 2.9Å; R562-E636 IonicContact NH1-OE1 3.32Å; R562-E636 PolarHBondContact NH1-OE1 3.17Å; R562-E636 IonicContact NH1-OE2 3.33Å; R562-E636 PolarHBondContact NH1-OE2 3.43Å; R562-E636 IonicContact NH2-OE1 2.81Å; R562-E636 PolarHBondContact NH2-OE1 3.02Å; R562-E636 IonicContact NH2-OE2 3.91Å; R562-E636 PolarHBondContact NH2-OE2 3.33Å | ||
| 563 | Y | 85.8 | Confident | 84.2 | Confident | 7 Ų | 7 | 39 Ų | 39 | 3% | 0.027 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -49.1 | -40.6 | -179.1 | 175.4 | -82 | 0 | 0 | 0 | 114.5 | Y567 K590 K591 K596 F600 W604 F608 | Y563-Y567 HydrophobicContact CD1-CD2 4.19Å; Y563-Y567 HydrophobicContact CD1-CE2 4.01Å; Y563-Y567 AromaticContact CE1-CD2 3.89Å; Y563-Y567 HydrophobicContact CE1-CD2 3.89Å; Y563-Y567 AromaticContact CE1-CE2 3.39Å; Y563-Y567 HydrophobicContact CE1-CE2 3.39Å; Y563-Y567 HydrophobicContact CE2-CE2 4.06Å; Y563-Y567 AromaticContact CZ-CE2 3.39Å; Y563-Y567 WeakPolarHBondContact O-CD2 3.07Å; Y563-Y567 WeakPolarHBondContact OH-CE2 3.33Å; Y563-Y567 PolarHBondContact OH-OH 3.15Å; Y563-Y567 VanDerWaalsContact OH-OH 3.11Å; Y563-K590 HydrophobicContact CE1-CG 4.23Å; Y563-K591 PolarHBondContact OH-N 3.35Å; Y563-K591 VanDerWaalsContact OH-N 3.14Å; Y563-K596 VanDerWaalsContact CE1-NZ 3.32Å; Y563-K596 HydrophobicContact CG-CD 4.26Å; Y563-K596 VanDerWaalsContact CG-NZ 3.34Å; Y563-F600 AromaticContact CD2-CE1 3.85Å; Y563-F600 HydrophobicContact CD2-CE1 3.85Å; Y563-F600 HydrophobicContact CD2-CZ 4.49Å; Y563-F600 AromaticContact CE2-CE1 3.63Å; Y563-F600 HydrophobicContact CE2-CE1 3.63Å; Y563-F600 AromaticContact CE2-CZ 3.82Å; Y563-F600 HydrophobicContact CE2-CZ 3.82Å; Y563-W604 AromaticContact CE2-CD2 3.87Å; Y563-W604 HydrophobicContact CE2-CD2 3.87Å; Y563-W604 HydrophobicContact CE2-CE3 4.27Å; Y563-W604 AromaticContact CE2-CG 3.96Å; Y563-W604 HydrophobicContact CE2-CG 3.96Å; Y563-W604 HydrophobicContact CE2-CZ2 4.49Å; Y563-F608 AromaticContact CD2-CE2 3.66Å; Y563-F608 HydrophobicContact CD2-CE2 3.66Å; Y563-F608 AromaticContact CD2-CZ 3.69Å; Y563-F608 HydrophobicContact CD2-CZ 3.69Å; Y563-F608 HydrophobicContact CE2-CE2 4.07Å; Y563-F608 AromaticContact CE2-CZ 3.79Å; Y563-F608 HydrophobicContact CE2-CZ 3.79Å; Y563-F608 HydrophobicContact CG-CE2 4.41Å; Y563-F608 HydrophobicContact CG-CZ 4.3Å |
| 564 | H | 85.1 | Confident | 85 | Confident | 50 Ų | 50 | 36.4 Ų | 36.4 | 23% | 0.231 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -77.3 | -22.1 | -175 | 56 | -97.2 | 0 | 0 | 0 | 113.3 | R562 F566 Y567 V568 | R562-H564 PolarHBondContact NE-CE1 2.93Å; R562-H564 PolarHBondContact NE-NE2 2.99Å; R562-H564 PolarHBondContact NH2-CE1 3.13Å; R562-H564 PolarHBondContact NH2-NE2 2.86Å; R562-H564 PolarHBondContact O-N 3.23Å; R562-H564 VanDerWaalsContact O-N 3.08Å; H564-F566 VanDerWaalsContact C-N 3.3Å; H564-F566 PolarHBondContact O-N 3.4Å; H564-Y567 PolarHBondContact O-N 3.49Å; H564-Y567 VanDerWaalsContact O-N 3.16Å; H564-V568 WeakPolarHBondContact O-CG2 3.49Å; H564-V568 PolarHBondContact O-N 3.13Å |
| 565 | E | 86.1 | Confident | 85 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.6 | -33.3 | -176.3 | -64.4 | 179.4 | 77.7 | 0 | 0 | 111.5 | R562 Y567 V568 L569 F630 E636 L637 | R562-E565 HydrophobicContact CB-CG 4.42Å; R562-E565 WeakPolarHBondContact CB-OE2 3.47Å; R562-E565 PolarHBondContact N-OE2 3.15Å; R562-E565 PolarHBondContact O-N 3.43Å; E565-Y567 VanDerWaalsContact C-N 3.31Å; E565-Y567 PolarHBondContact O-N 2.78Å; E565-V568 PolarHBondContact O-N 2.82Å; E565-L569 WeakPolarHBondContact O-CB 3.36Å; E565-L569 PolarHBondContact O-N 3.37Å; E565-F630 HydrophobicContact CB-CE2 4.16Å; E565-E636 WeakPolarHBondContact OE1-CA 3.5Å; E565-L637 PolarHBondContact OE1-N 2.87Å |
| 566 | F | 89.7 | Confident | 84.6 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.4 | -40 | 172.6 | -66.8 | -87.6 | 0 | 0 | 0 | 112.5 | Y534 V536 R561 R562 H564 L569 E570 L587 F608 F611 V612 F630 | Y534-F566 AromaticContact CD2-CE2 3.73Å; Y534-F566 HydrophobicContact CD2-CE2 3.73Å; Y534-F566 HydrophobicContact CE2-CE2 4.4Å; Y534-F566 HydrophobicContact CG-CE2 4.13Å; V536-F566 HydrophobicContact CG2-CZ 4.29Å; R561-F566 HydrophobicContact CB-CE2 3.9Å; R561-F566 HydrophobicContact CB-CZ 4.08Å; R562-F566 WeakPolarHBondContact O-CD2 3.28Å; H564-F566 VanDerWaalsContact C-N 3.3Å; H564-F566 PolarHBondContact O-N 3.4Å; F566-L569 PolarHBondContact O-N 3.35Å; F566-E570 PolarHBondContact O-N 2.9Å; F566-L587 HydrophobicContact CB-CD1 4.04Å; F566-L587 WeakPolarHBondContact O-CD1 3.47Å; F566-F608 HydrophobicContact CB-CD1 3.58Å; F566-F608 HydrophobicContact CB-CE1 3.45Å; F566-F608 VanDerWaalsContact CB-CE1 3.45Å; F566-F608 HydrophobicContact CB-CG 4.43Å; F566-F608 HydrophobicContact CB-CZ 4.19Å; F566-F608 HydrophobicContact CD1-CB 3.91Å; F566-F608 AromaticContact CD1-CD1 3.64Å; F566-F608 HydrophobicContact CD1-CD1 3.64Å; F566-F608 HydrophobicContact CD1-CE1 4.38Å; F566-F608 AromaticContact CD1-CG 3.89Å; F566-F608 HydrophobicContact CD1-CG 3.89Å; F566-F608 AromaticContact CD2-CD1 3.91Å; F566-F608 HydrophobicContact CD2-CD1 3.91Å; F566-F608 HydrophobicContact CD2-CD2 4.06Å; F566-F608 HydrophobicContact CD2-CE1 4.08Å; F566-F608 HydrophobicContact CD2-CE2 4.21Å; F566-F608 AromaticContact CD2-CG 3.91Å; F566-F608 HydrophobicContact CD2-CG 3.91Å; F566-F608 HydrophobicContact CD2-CZ 4.22Å; F566-F608 HydrophobicContact CE1-CB 3.68Å; F566-F608 HydrophobicContact CE1-CD1 4.29Å; F566-F608 HydrophobicContact CE1-CG 4.07Å; F566-F608 HydrophobicContact CE2-CB 4.33Å; F566-F608 HydrophobicContact CE2-CD2 4.16Å; F566-F608 HydrophobicContact CE2-CG 4.11Å; F566-F608 HydrophobicContact CG-CB 4.33Å; F566-F608 AromaticContact CG-CD1 3.42Å; F566-F608 HydrophobicContact CG-CD1 3.42Å; F566-F608 VanDerWaalsContact CG-CD1 3.42Å; F566-F608 HydrophobicContact CG-CD2 4.39Å; F566-F608 AromaticContact CG-CE1 3.73Å; F566-F608 HydrophobicContact CG-CE1 3.73Å; F566-F608 AromaticContact CG-CG 3.81Å; F566-F608 HydrophobicContact CG-CG 3.81Å; F566-F608 HydrophobicContact CG-CZ 4.32Å; F566-F608 HydrophobicContact CZ-CB 3.91Å; F566-F608 HydrophobicContact CZ-CG 4.18Å; F566-F611 HydrophobicContact CD1-CD1 4.18Å; F566-V612 HydrophobicContact CD1-CG2 4.1Å; F566-V612 HydrophobicContact CE1-CG2 3.65Å; F566-F630 HydrophobicContact CD1-CE1 4.41Å; F566-F630 HydrophobicContact CD1-CE2 4.44Å; F566-F630 AromaticContact CD1-CZ 3.69Å; F566-F630 HydrophobicContact CD1-CZ 3.69Å; F566-F630 HydrophobicContact CD2-CZ 4.46Å; F566-F630 AromaticContact CE1-CE1 3.99Å; F566-F630 HydrophobicContact CE1-CE1 3.99Å; F566-F630 AromaticContact CE1-CZ 3.53Å; F566-F630 HydrophobicContact CE1-CZ 3.53Å; F566-F630 HydrophobicContact CE2-CZ 4.32Å; F566-F630 HydrophobicContact CG-CZ 4.17Å; F566-F630 HydrophobicContact CZ-CE1 4.45Å; F566-F630 AromaticContact CZ-CZ 3.87Å; F566-F630 HydrophobicContact CZ-CZ 3.87Å |
| 567 | Y | 88.3 | Confident | 84.3 | Confident | 18 Ų | 18 | 31.6 Ų | 31.6 | 7% | 0.071 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -73.5 | -32.5 | 176.2 | -71.9 | -83 | 0 | 0 | 0 | 112.6 | Y563 H564 E565 A571 L587 P588 K590 W604 F608 | Y563-Y567 HydrophobicContact CD1-CD2 4.19Å; Y563-Y567 HydrophobicContact CD1-CE2 4.01Å; Y563-Y567 AromaticContact CE1-CD2 3.89Å; Y563-Y567 HydrophobicContact CE1-CD2 3.89Å; Y563-Y567 AromaticContact CE1-CE2 3.39Å; Y563-Y567 HydrophobicContact CE1-CE2 3.39Å; Y563-Y567 HydrophobicContact CE2-CE2 4.06Å; Y563-Y567 AromaticContact CZ-CE2 3.39Å; Y563-Y567 WeakPolarHBondContact O-CD2 3.07Å; Y563-Y567 WeakPolarHBondContact OH-CE2 3.33Å; Y563-Y567 PolarHBondContact OH-OH 3.15Å; Y563-Y567 VanDerWaalsContact OH-OH 3.11Å; H564-Y567 PolarHBondContact O-N 3.49Å; H564-Y567 VanDerWaalsContact O-N 3.16Å; E565-Y567 VanDerWaalsContact C-N 3.31Å; E565-Y567 PolarHBondContact O-N 2.78Å; Y567-A571 WeakPolarHBondContact O-CB 3.44Å; Y567-A571 PolarHBondContact O-N 3.2Å; Y567-L587 HydrophobicContact CD1-CB 4.21Å; Y567-L587 HydrophobicContact CD1-CD1 4.04Å; Y567-L587 HydrophobicContact CE1-CB 3.73Å; Y567-L587 HydrophobicContact CE1-CD1 4.21Å; Y567-L587 HydrophobicContact CG-CD1 4.24Å; Y567-P588 WeakPolarHBondContact CE1-O 3.47Å; Y567-P588 PolarHBondContact OH-O 3.48Å; Y567-K590 HydrophobicContact CD1-CB 4.01Å; Y567-K590 HydrophobicContact CD1-CG 4.45Å; Y567-K590 HydrophobicContact CD2-CG 4.29Å; Y567-K590 HydrophobicContact CE1-CB 3.87Å; Y567-K590 HydrophobicContact CE2-CG 4.38Å; Y567-K590 HydrophobicContact CG-CB 4.37Å; Y567-K590 HydrophobicContact CG-CD 4.45Å; Y567-K590 HydrophobicContact CG-CG 4.31Å; Y567-W604 WeakPolarHBondContact OH-CH2 3.45Å; Y567-W604 VanDerWaalsContact OH-CZ3 3.3Å; Y567-W604 WeakPolarHBondContact OH-CZ3 3.41Å; Y567-F608 HydrophobicContact CE2-CE1 4.13Å; Y567-F608 AromaticContact CE2-CZ 3.95Å; Y567-F608 HydrophobicContact CE2-CZ 3.95Å |
| 568 | V | 84.1 | Confident | 83.6 | Confident | 41 Ų | 41 | 30.6 Ų | 30.6 | 25% | 0.248 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.4 | -43.6 | 173 | 173.7 | 0 | 0 | 0 | 0 | 109.8 | H564 E565 A571 K572 F639 | H564-V568 WeakPolarHBondContact O-CG2 3.49Å; H564-V568 PolarHBondContact O-N 3.13Å; E565-V568 PolarHBondContact O-N 2.82Å; V568-A571 PolarHBondContact O-N 2.95Å; V568-K572 HydrophobicContact CG1-CG 4.41Å; V568-K572 WeakPolarHBondContact O-CB 3.47Å; V568-K572 VanDerWaalsContact O-CG 3.27Å; V568-K572 WeakPolarHBondContact O-CG 3.36Å; V568-K572 PolarHBondContact O-N 3.42Å; V568-F639 HydrophobicContact CG1-CB 4.2Å; V568-F639 HydrophobicContact CG1-CD2 3.88Å |
| 569 | L | 86.4 | Confident | 83 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.5 | -49.9 | 175.1 | 179.4 | 67 | 0 | 0 | 0 | 111 | E565 F566 A571 K572 L573 F611 L615 L626 L627 F630 | E565-L569 WeakPolarHBondContact O-CB 3.36Å; E565-L569 PolarHBondContact O-N 3.37Å; F566-L569 PolarHBondContact O-N 3.35Å; L569-A571 PolarHBondContact O-N 3.5Å; L569-K572 PolarHBondContact O-N 3.45Å; L569-L573 HydrophobicContact CD1-CD1 4.08Å; L569-L573 HydrophobicContact CD1-CG 4.12Å; L569-L573 HydrophobicContact CD2-CD1 4.49Å; L569-L573 HydrophobicContact CG-CD1 3.92Å; L569-L573 HydrophobicContact CG-CG 4.33Å; L569-L573 WeakPolarHBondContact O-CB 3.49Å; L569-L573 VanDerWaalsContact O-CG 3.31Å; L569-L573 WeakPolarHBondContact O-CG 3.32Å; L569-L573 PolarHBondContact O-N 3.03Å; L569-F611 HydrophobicContact CD2-CE1 4.3Å; L569-L615 HydrophobicContact CD2-CD1 3.76Å; L569-L615 HydrophobicContact CG-CD1 4.48Å; L569-L626 HydrophobicContact CD1-CB 4.11Å; L569-L627 HydrophobicContact CD2-CD1 4.17Å; L569-F630 HydrophobicContact CB-CD2 3.98Å; L569-F630 HydrophobicContact CB-CE2 4.29Å; L569-F630 HydrophobicContact CD1-CB 4.24Å; L569-F630 HydrophobicContact CD1-CD2 4.38Å; L569-F630 HydrophobicContact CD2-CB 4.2Å; L569-F630 HydrophobicContact CD2-CD1 4.13Å; L569-F630 HydrophobicContact CD2-CD2 3.66Å; L569-F630 HydrophobicContact CD2-CE2 4.11Å; L569-F630 HydrophobicContact CD2-CG 3.74Å; L569-F630 HydrophobicContact CG-CD2 4.21Å |
| 570 | E | 85.7 | Confident | 82.3 | Confident | 21 Ų | 21 | 41.5 Ų | 41.5 | 10% | 0.098 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -55.2 | -53.3 | 176.8 | -179.6 | -177.2 | -134.9 | 0 | 0 | 111.9 | F566 K572 L573 I574 L582 P586 L587 F611 | F566-E570 PolarHBondContact O-N 2.9Å; E570-K572 PolarHBondContact O-N 3.11Å; E570-L573 PolarHBondContact O-N 3.08Å; E570-I574 HydrophobicContact CG-CD1 3.95Å; E570-I574 WeakPolarHBondContact O-CG1 3.46Å; E570-I574 PolarHBondContact O-N 3.03Å; E570-L582 HydrophobicContact CG-CD1 3.93Å; E570-P586 VanDerWaalsContact OE1-CA 3.28Å; E570-P586 WeakPolarHBondContact OE1-CA 3.35Å; E570-L587 HydrophobicContact CB-CD1 4.05Å; E570-L587 PolarHBondContact OE1-N 3.38Å; E570-L587 WeakPolarHBondContact OE2-CB 3.34Å; E570-F611 HydrophobicContact CB-CE2 4.43Å; E570-F611 HydrophobicContact CB-CZ 3.87Å; E570-F611 HydrophobicContact CG-CZ 4.42Å |
| 571 | A | 81.6 | Confident | 81.5 | Confident | 55 Ų | 55 | 39.6 Ų | 39.6 | 46% | 0.455 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -58.8 | -39 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y567 V568 L569 E575 | Y567-A571 WeakPolarHBondContact O-CB 3.44Å; Y567-A571 PolarHBondContact O-N 3.2Å; V568-A571 PolarHBondContact O-N 2.95Å; L569-A571 PolarHBondContact O-N 3.5Å; A571-E575 WeakPolarHBondContact O-CB 3.32Å; A571-E575 PolarHBondContact O-N 3.31Å |
| 572 | K | 79.5 | Confident | 80.9 | Confident | 46 Ų | 46 | 40.5 Ų | 40.5 | 20% | 0.2 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -70.6 | -42 | 177.6 | -72.3 | -73.1 | 166.5 | -156.9 | 0 | 112.1 | V568 L569 E570 I574 E575 F576 L626 F639 | V568-K572 HydrophobicContact CG1-CG 4.41Å; V568-K572 WeakPolarHBondContact O-CB 3.47Å; V568-K572 VanDerWaalsContact O-CG 3.27Å; V568-K572 WeakPolarHBondContact O-CG 3.36Å; V568-K572 PolarHBondContact O-N 3.42Å; L569-K572 PolarHBondContact O-N 3.45Å; E570-K572 PolarHBondContact O-N 3.11Å; K572-I574 VanDerWaalsContact C-N 3.29Å; K572-I574 PolarHBondContact O-N 3.26Å; K572-E575 WeakPolarHBondContact CD-OE2 3.38Å; K572-E575 WeakPolarHBondContact CE-OE2 3.31Å; K572-E575 IonicContact NZ-OE1 2.71Å; K572-E575 PolarHBondContact NZ-OE1 3.26Å; K572-E575 IonicContact NZ-OE2 2.75Å; K572-E575 PolarHBondContact NZ-OE2 3.08Å; K572-E575 WeakPolarHBondContact O-CB 3.43Å; K572-E575 PolarHBondContact O-N 2.9Å; K572-F576 HydrophobicContact CD-CE2 4.32Å; K572-F576 VanDerWaalsContact O-CD2 3.29Å; K572-F576 WeakPolarHBondContact O-CD2 3.41Å; K572-F576 PolarHBondContact O-N 3.18Å; K572-L626 HydrophobicContact CB-CD1 3.84Å; K572-F639 HydrophobicContact CG-CD2 4.46Å |
| 573 | L | 82.9 | Confident | 80.1 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.2 | -38.6 | 176 | -70.3 | 175.9 | 0 | 0 | 0 | 111.9 | L569 E570 H577 L615 L621 L626 | L569-L573 HydrophobicContact CD1-CD1 4.08Å; L569-L573 HydrophobicContact CD1-CG 4.12Å; L569-L573 HydrophobicContact CD2-CD1 4.49Å; L569-L573 HydrophobicContact CG-CD1 3.92Å; L569-L573 HydrophobicContact CG-CG 4.33Å; L569-L573 WeakPolarHBondContact O-CB 3.49Å; L569-L573 VanDerWaalsContact O-CG 3.31Å; L569-L573 WeakPolarHBondContact O-CG 3.32Å; L569-L573 PolarHBondContact O-N 3.03Å; E570-L573 PolarHBondContact O-N 3.08Å; L573-H577 WeakPolarHBondContact O-CB 3.42Å; L573-H577 PolarHBondContact O-CD2 3Å; L573-H577 PolarHBondContact O-N 3.42Å; L573-L615 HydrophobicContact CD1-CD1 3.76Å; L573-L615 HydrophobicContact CD1-CD2 3.81Å; L573-L615 HydrophobicContact CD1-CG 4.41Å; L573-L621 HydrophobicContact CD1-CD1 4.2Å; L573-L621 HydrophobicContact CD2-CD2 3.73Å; L573-L626 HydrophobicContact CD2-CB 4.22Å; L573-L626 HydrophobicContact CD2-CD1 4.12Å |
| 574 | I | 80.1 | Confident | 79.2 | Confident | 50 Ų | 50 | 47.8 Ų | 47.8 | 26% | 0.256 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.1 | -43.5 | 173 | -64.6 | 167.7 | 0 | 0 | 0 | 111.2 | E570 K572 F576 G578 E579 L582 | E570-I574 HydrophobicContact CG-CD1 3.95Å; E570-I574 WeakPolarHBondContact O-CG1 3.46Å; E570-I574 PolarHBondContact O-N 3.03Å; K572-I574 VanDerWaalsContact C-N 3.29Å; K572-I574 PolarHBondContact O-N 3.26Å; I574-F576 VanDerWaalsContact C-N 3.33Å; I574-F576 PolarHBondContact O-N 3.44Å; I574-G578 WeakPolarHBondContact O-CA 3.26Å; I574-G578 PolarHBondContact O-N 3.35Å; I574-E579 HydrophobicContact CG2-CG 3.85Å; I574-L582 HydrophobicContact CD1-CD1 3.68Å; I574-L582 HydrophobicContact CG1-CD1 3.74Å; I574-L582 HydrophobicContact CG1-CG 4.37Å |
| 575 | E | 73 | Confident | 78.5 | Confident | 98 Ų | 98 | 50.6 Ų | 50.6 | 46% | 0.458 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.5 | -41.5 | 179.8 | -175.9 | -177 | 158.3 | 0 | 0 | 112.3 | A571 K572 | A571-E575 WeakPolarHBondContact O-CB 3.32Å; A571-E575 PolarHBondContact O-N 3.31Å; K572-E575 WeakPolarHBondContact CD-OE2 3.38Å; K572-E575 WeakPolarHBondContact CE-OE2 3.31Å; K572-E575 IonicContact NZ-OE1 2.71Å; K572-E575 PolarHBondContact NZ-OE1 3.26Å; K572-E575 IonicContact NZ-OE2 2.75Å; K572-E575 PolarHBondContact NZ-OE2 3.08Å; K572-E575 WeakPolarHBondContact O-CB 3.43Å; K572-E575 PolarHBondContact O-N 2.9Å |
| 576 | F | 71.6 | Confident | 78.3 | Confident | 20 Ų | 20 | 54.6 Ų | 54.6 | 9% | 0.088 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -84.5 | -43 | -178.3 | -77.5 | -85.4 | 0 | 0 | 0 | 113.1 | K572 I574 L626 E659 G661 Q662 N663 | K572-F576 HydrophobicContact CD-CE2 4.32Å; K572-F576 VanDerWaalsContact O-CD2 3.29Å; K572-F576 WeakPolarHBondContact O-CD2 3.41Å; K572-F576 PolarHBondContact O-N 3.18Å; I574-F576 VanDerWaalsContact C-N 3.33Å; I574-F576 PolarHBondContact O-N 3.44Å; F576-L626 HydrophobicContact CD2-CD1 3.82Å; F576-L626 HydrophobicContact CE2-CD1 4.26Å; F576-E659 VanDerWaalsContact CB-OE2 3.27Å; F576-E659 WeakPolarHBondContact CB-OE2 3.49Å; F576-E659 HydrophobicContact CD1-CB 3.77Å; F576-E659 HydrophobicContact CE1-CB 4.16Å; F576-E659 HydrophobicContact CG-CB 4.3Å; F576-G661 WeakPolarHBondContact CD1-O 3.33Å; F576-G661 CarbonylContact O-C 3.27Å; F576-Q662 HydrophobicContact CD1-CG 4.35Å; F576-Q662 CarbonylContact O-C 3.59Å; F576-Q662 WeakPolarHBondContact O-CA 3.47Å; F576-N663 PolarHBondContact O-N 2.98Å |
| 577 | H | 76.2 | Confident | 78 | Confident | 53 Ų | 53 | 55.2 Ų | 55.2 | 25% | 0.245 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -108.1 | -9 | -170.9 | -57.9 | -81.8 | 0 | 0 | 0 | 115.2 | L573 I581 E659 | L573-H577 WeakPolarHBondContact O-CB 3.42Å; L573-H577 PolarHBondContact O-CD2 3Å; L573-H577 PolarHBondContact O-N 3.42Å; H577-I581 HydrophobicContact CB-CB 4Å; H577-I581 HydrophobicContact CB-CD1 3.25Å; H577-I581 HydrophobicContact CB-CG1 4.2Å; H577-I581 HydrophobicContact CB-CG2 4.19Å; H577-E659 IonicContact CD2-OE2 2.76Å; H577-E659 IonicContact CE1-OE2 3.97Å; H577-E659 IonicContact NE2-OE1 3.2Å; H577-E659 IonicContact NE2-OE2 2.82Å; H577-E659 PolarHBondContact NE2-OE2 3.25Å |
| 578 | G | 73.9 | Confident | 77.5 | Confident | 3 Ų | 3 | 56.8 Ų | 56.8 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | trans | 85.8 | 173 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | I574 D580 I581 N663 | I574-G578 WeakPolarHBondContact O-CA 3.26Å; I574-G578 PolarHBondContact O-N 3.35Å; G578-D580 VanDerWaalsContact C-N 3.31Å; G578-D580 PolarHBondContact O-N 2.95Å; G578-I581 WeakPolarHBondContact O-CG2 3.44Å; G578-N663 WeakPolarHBondContact CA-ND2 3.44Å | ||
| 579 | E | 75.6 | Confident | 77.2 | Confident | 154 Ų | 154 | 59.7 Ų | 59.7 | 72% | 0.72 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -69.6 | -27.6 | -175.1 | -63.4 | -173.6 | 173.3 | 0 | 0 | 113.1 | I574 I581 L582 | I574-E579 HydrophobicContact CG2-CG 3.85Å; E579-I581 PolarHBondContact O-N 3.33Å; E579-I581 VanDerWaalsContact O-N 3.12Å; E579-L582 PolarHBondContact O-N 2.95Å |
| 580 | D | 75.5 | Confident | 76.8 | Confident | 147 Ų | 147 | 65.4 Ų | 65.4 | 79% | 0.786 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -63.1 | -22 | -176.9 | -66.5 | -27 | 0 | 0 | 0 | 113.4 | G578 L582 K583 | G578-D580 VanDerWaalsContact C-N 3.31Å; G578-D580 PolarHBondContact O-N 2.95Å; D580-L582 PolarHBondContact O-N 3.45Å; D580-K583 PolarHBondContact O-N 2.99Å |
| 581 | I | 73.2 | Confident | 76.3 | Confident | 13 Ų | 13 | 69.7 Ų | 69.7 | 7% | 0.067 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -65.6 | -24.8 | -178.9 | -153.3 | 155.8 | 0 | 0 | 0 | 112.7 | H577 G578 E579 K583 N618 V620 L621 | H577-I581 HydrophobicContact CB-CB 4Å; H577-I581 HydrophobicContact CB-CD1 3.25Å; H577-I581 HydrophobicContact CB-CG1 4.2Å; H577-I581 HydrophobicContact CB-CG2 4.19Å; G578-I581 WeakPolarHBondContact O-CG2 3.44Å; E579-I581 PolarHBondContact O-N 3.33Å; E579-I581 VanDerWaalsContact O-N 3.12Å; I581-K583 VanDerWaalsContact C-N 3.27Å; I581-K583 PolarHBondContact O-N 3.49Å; I581-N618 VanDerWaalsContact CG1-ND2 3.27Å; I581-N618 WeakPolarHBondContact CG1-ND2 3.41Å; I581-N618 PolarHBondContact O-ND2 3.09Å; I581-V620 HydrophobicContact CD1-CB 4.16Å; I581-V620 HydrophobicContact CD1-CG1 3.8Å; I581-L621 HydrophobicContact CD1-CD1 4.31Å; I581-L621 HydrophobicContact CD1-CD2 3.44Å; I581-L621 VanDerWaalsContact CD1-CD2 3.44Å; I581-L621 HydrophobicContact CD1-CG 3.78Å; I581-L621 HydrophobicContact CG1-CD1 4.32Å; I581-L621 HydrophobicContact CG1-CD2 4.31Å; I581-L621 HydrophobicContact CG1-CG 4.2Å |
| 582 | L | 76.5 | Confident | 75.7 | Confident | 18 Ų | 18 | 72.7 Ų | 72.7 | 9% | 0.094 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -80.7 | -6.4 | 178.1 | -62.2 | 179.3 | 0 | 0 | 0 | 112.8 | E570 I574 E579 D580 G584 F585 P586 F611 L615 | E570-L582 HydrophobicContact CG-CD1 3.93Å; I574-L582 HydrophobicContact CD1-CD1 3.68Å; I574-L582 HydrophobicContact CG1-CD1 3.74Å; I574-L582 HydrophobicContact CG1-CG 4.37Å; E579-L582 PolarHBondContact O-N 2.95Å; D580-L582 PolarHBondContact O-N 3.45Å; L582-G584 PolarHBondContact O-N 3.04Å; L582-F585 PolarHBondContact O-N 3.08Å; L582-P586 HydrophobicContact CD1-CB 4.43Å; L582-F611 HydrophobicContact CD2-CE2 4.27Å; L582-L615 HydrophobicContact CD2-CD2 4.09Å |
| 583 | K | 70.5 | Confident | 74.8 | Confident | 145 Ų | 145 | 74 Ų | 74 | 63% | 0.63 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 41.7 | 41 | 180 | -63.2 | -173.8 | -180 | -178 | 0 | 113.3 | D580 I581 F585 | D580-K583 PolarHBondContact O-N 2.99Å; I581-K583 VanDerWaalsContact C-N 3.27Å; I581-K583 PolarHBondContact O-N 3.49Å; K583-F585 WeakPolarHBondContact O-CD2 3.24Å |
| 584 | G | 68.1 | Low | 73.7 | Confident | 69 Ų | 69 | 86.1 Ų | 86.1 | 71% | 0.711 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | 13.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | L582 P586 | L582-G584 PolarHBondContact O-N 3.04Å; G584-P586 WeakPolarHBondContact O-CD 3.48Å |
| 585 | F | 70.9 | Confident | 72.9 | Confident | 109 Ų | 109 | 89.3 Ų | 89.3 | 48% | 0.478 | 47% | 0.468 | S | S | . | . | trans | -118 | 63.6 | 175.9 | -65.2 | -80.9 | 0 | 0 | 0 | 113.3 | L582 K583 | L582-F585 PolarHBondContact O-N 3.08Å; K583-F585 WeakPolarHBondContact O-CD2 3.24Å | ||
| 586 | P | 80.7 | Confident | 72.8 | Confident | 86 Ų | 86 | 87.4 Ų | 87.4 | 56% | 0.558 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 152.3 | 172.1 | 30.1 | -34.4 | 0 | 0 | 0 | 111.2 | E570 L582 G584 | E570-P586 VanDerWaalsContact OE1-CA 3.28Å; E570-P586 WeakPolarHBondContact OE1-CA 3.35Å; L582-P586 HydrophobicContact CD1-CB 4.43Å; G584-P586 WeakPolarHBondContact O-CD 3.48Å |
| 587 | L | 82.9 | Confident | 73.1 | Confident | 12 Ų | 12 | 90 Ų | 90 | 6% | 0.063 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 140.6 | 167.4 | -69.6 | 171.6 | 0 | 0 | 0 | 108.8 | F566 Y567 E570 T607 F608 F611 | F566-L587 HydrophobicContact CB-CD1 4.04Å; F566-L587 WeakPolarHBondContact O-CD1 3.47Å; Y567-L587 HydrophobicContact CD1-CB 4.21Å; Y567-L587 HydrophobicContact CD1-CD1 4.04Å; Y567-L587 HydrophobicContact CE1-CB 3.73Å; Y567-L587 HydrophobicContact CE1-CD1 4.21Å; Y567-L587 HydrophobicContact CG-CD1 4.24Å; E570-L587 HydrophobicContact CB-CD1 4.05Å; E570-L587 PolarHBondContact OE1-N 3.38Å; E570-L587 WeakPolarHBondContact OE2-CB 3.34Å; L587-T607 HydrophobicContact CD2-CG2 4.44Å; L587-F608 HydrophobicContact CD1-CE1 4.21Å; L587-F608 HydrophobicContact CD2-CD1 3.83Å; L587-F608 HydrophobicContact CD2-CE1 3.85Å; L587-F611 HydrophobicContact CD1-CD1 4.31Å; L587-F611 HydrophobicContact CD1-CD2 4.43Å; L587-F611 HydrophobicContact CD1-CE1 4Å; L587-F611 HydrophobicContact CD1-CE2 4.15Å; L587-F611 HydrophobicContact CD1-CZ 3.92Å; L587-F611 HydrophobicContact CD2-CB 3.83Å; L587-F611 HydrophobicContact CD2-CD1 4.03Å; L587-F611 HydrophobicContact CD2-CD2 3.67Å; L587-F611 HydrophobicContact CD2-CE1 4.5Å; L587-F611 HydrophobicContact CD2-CE2 4.19Å; L587-F611 HydrophobicContact CD2-CG 3.58Å; L587-F611 HydrophobicContact CG-CD1 4.37Å; L587-F611 HydrophobicContact CG-CD2 3.76Å; L587-F611 HydrophobicContact CG-CE1 4.36Å; L587-F611 HydrophobicContact CG-CE2 3.76Å; L587-F611 HydrophobicContact CG-CG 4.08Å; L587-F611 HydrophobicContact CG-CZ 4.06Å |
| 588 | P | 79.6 | Confident | 73.4 | Confident | 52 Ų | 52 | 94.1 Ų | 94.1 | 34% | 0.338 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -58 | 150.6 | 173.9 | -16.6 | 25.2 | 0 | 0 | 0 | 110.5 | Y567 K590 W604 T607 | Y567-P588 WeakPolarHBondContact CE1-O 3.47Å; Y567-P588 PolarHBondContact OH-O 3.48Å; P588-K590 PolarHBondContact O-N 2.85Å; P588-W604 HydrophobicContact CB-CH2 3.8Å; P588-W604 HydrophobicContact CB-CZ3 3.89Å; P588-W604 HydrophobicContact CG-CH2 4.15Å; P588-W604 HydrophobicContact CG-CZ3 3.74Å; P588-T607 HydrophobicContact CG-CG2 4.07Å |
| 589 | P | 77.3 | Confident | 73.8 | Confident | 102 Ų | 102 | 97.6 Ų | 97.6 | 66% | 0.662 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -51.2 | 134.6 | -173 | 18.6 | -31.9 | 0 | 0 | 0 | 112.3 | K591 | P589-K591 PolarHBondContact O-N 3.16Å; P589-K591 VanDerWaalsContact O-N 3.11Å |
| 590 | K | 76.9 | Confident | 74.3 | Confident | 120 Ų | 120 | 91.4 Ų | 91.4 | 52% | 0.522 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 116.3 | -176 | -174.1 | 179.7 | 179 | 178.3 | 0 | 110.3 | Y563 Y567 P588 S592 | Y563-K590 HydrophobicContact CE1-CG 4.23Å; Y567-K590 HydrophobicContact CD1-CB 4.01Å; Y567-K590 HydrophobicContact CD1-CG 4.45Å; Y567-K590 HydrophobicContact CD2-CG 4.29Å; Y567-K590 HydrophobicContact CE1-CB 3.87Å; Y567-K590 HydrophobicContact CE2-CG 4.38Å; Y567-K590 HydrophobicContact CG-CB 4.37Å; Y567-K590 HydrophobicContact CG-CD 4.45Å; Y567-K590 HydrophobicContact CG-CG 4.31Å; P588-K590 PolarHBondContact O-N 2.85Å; K590-S592 PolarHBondContact O-N 3.19Å |
| 591 | K | 75.1 | Confident | 74.8 | Confident | 112 Ų | 112 | 84.6 Ų | 84.6 | 49% | 0.487 | 45% | 0.453 | S | S | . | . | trans | -84.9 | 111.1 | 176.4 | -63.8 | -169.6 | -171.3 | 169.1 | 0 | 110 | Y563 P589 L593 F600 W604 | Y563-K591 PolarHBondContact OH-N 3.35Å; Y563-K591 VanDerWaalsContact OH-N 3.14Å; P589-K591 PolarHBondContact O-N 3.16Å; P589-K591 VanDerWaalsContact O-N 3.11Å; K591-L593 HydrophobicContact CB-CD1 3.78Å; K591-L593 PolarHBondContact O-N 3.02Å; K591-L593 VanDerWaalsContact O-N 3.1Å; K591-F600 HydrophobicContact CB-CE2 4.21Å; K591-F600 HydrophobicContact CB-CZ 4.06Å; K591-F600 HydrophobicContact CD-CE2 4.17Å; K591-W604 HydrophobicContact CB-CZ2 4.45Å; K591-W604 HydrophobicContact CD-CZ2 3.67Å; K591-W604 HydrophobicContact CG-CH2 4.48Å; K591-W604 HydrophobicContact CG-CZ2 3.85Å | ||
| 592 | S | 68.9 | Low | 75.6 | Confident | 117 Ų | 117 | 87.1 Ų | 87.1 | 82% | 0.818 | 47% | 0.469 | S | S | * | . | trans | -80 | 79.7 | 177.9 | -63.3 | 0 | 0 | 0 | 0 | 111.5 | K590 | K590-S592 PolarHBondContact O-N 3.19Š| ||
| 593 | L | 62 | Low | 76.1 | Confident | 74 Ų | 74 | 89.7 Ų | 89.7 | 39% | 0.387 | 49% | 0.488 | S | S | . | . | trans | -97.1 | 129.3 | 167.5 | -72.8 | 93.7 | 0 | 0 | 0 | 110.5 | K591 T595 K596 F600 | K591-L593 HydrophobicContact CB-CD1 3.78Å; K591-L593 PolarHBondContact O-N 3.02Å; K591-L593 VanDerWaalsContact O-N 3.1Å; L593-T595 VanDerWaalsContact C-N 3.3Å; L593-T595 PolarHBondContact O-N 3.12Å; L593-K596 HydrophobicContact CB-CG 4.2Å; L593-F600 HydrophobicContact CD1-CD2 4.13Å; L593-F600 HydrophobicContact CD1-CE2 3.53Å; L593-F600 HydrophobicContact CD1-CZ 3.87Å | ||
| 594 | R | 59.3 | Low | 77 | Confident | 255 Ų | 255 | 83.5 Ų | 83.5 | 96% | 0.962 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -63.7 | -33.2 | 179.8 | -159 | -178.8 | -163.6 | -165.6 | 5.7 | 112.6 | ||
| 595 | T | 62.7 | Low | 78.1 | Confident | 116 Ų | 116 | 84 Ų | 84 | 71% | 0.712 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -132.2 | 126.4 | 171.2 | 46.2 | 0 | 0 | 0 | 0 | 108.1 | L593 P597 | L593-T595 VanDerWaalsContact C-N 3.3Å; L593-T595 PolarHBondContact O-N 3.12Å; T595-P597 VanDerWaalsContact O-CD 3.26Å; T595-P597 WeakPolarHBondContact O-CD 3.49Å |
| 596 | K | 71.1 | Confident | 79 | Confident | 59 Ų | 59 | 82.1 Ų | 82.1 | 26% | 0.257 | 44% | 0.44 | S | S | . | . | trans | -100.2 | 101.3 | -178.7 | -71.8 | 174.6 | -177.1 | 169.2 | 0 | 108.7 | Y563 L593 F600 V601 | Y563-K596 VanDerWaalsContact CE1-NZ 3.32Å; Y563-K596 HydrophobicContact CG-CD 4.26Å; Y563-K596 VanDerWaalsContact CG-NZ 3.34Å; L593-K596 HydrophobicContact CB-CG 4.2Å; K596-F600 HydrophobicContact CB-CD1 3.95Å; K596-F600 HydrophobicContact CB-CE1 4.46Å; K596-F600 HydrophobicContact CD-CD1 4.13Å; K596-F600 HydrophobicContact CD-CE1 3.8Å; K596-F600 HydrophobicContact CG-CD1 3.87Å; K596-F600 HydrophobicContact CG-CE1 3.91Å; K596-V601 HydrophobicContact CB-CG2 3.95Å | ||
| 597 | P | 78.7 | Confident | 79.5 | Confident | 73 Ų | 73 | 80.2 Ų | 80.2 | 47% | 0.474 | 43% | 0.426 | S | S | . | . | trans | -62.9 | 155.5 | 178.5 | 26.3 | -33.2 | 0 | 0 | 0 | 110.3 | T595 A599 F600 V601 | T595-P597 VanDerWaalsContact O-CD 3.26Å; T595-P597 WeakPolarHBondContact O-CD 3.49Å; P597-A599 PolarHBondContact O-N 2.88Å; P597-A599 VanDerWaalsContact O-N 3.15Å; P597-F600 HydrophobicContact CG-CB 3.93Å; P597-F600 VanDerWaalsContact O-CB 3.32Å; P597-F600 WeakPolarHBondContact O-CB 3.5Å; P597-F600 PolarHBondContact O-N 2.98Å; P597-V601 PolarHBondContact O-N 3.11Å | ||
| 598 | R | 81.8 | Confident | 79.9 | Confident | 140 Ų | 140 | 79.6 Ų | 79.6 | 53% | 0.528 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -48.8 | -44.7 | 178.5 | -170 | 177.2 | 176.3 | 166.7 | 0 | 112.6 | Y532 F600 V601 V602 | Y532-R598 HydrophobicContact CD1-CB 4.35Å; Y532-R598 HydrophobicContact CD1-CG 4.03Å; Y532-R598 HydrophobicContact CD2-CB 4.37Å; Y532-R598 HydrophobicContact CE1-CB 3.79Å; Y532-R598 HydrophobicContact CE1-CG 3.61Å; Y532-R598 HydrophobicContact CE2-CB 3.82Å; R598-F600 VanDerWaalsContact C-N 3.27Å; R598-F600 PolarHBondContact O-N 3.39Å; R598-V601 PolarHBondContact O-N 2.94Å; R598-V602 HydrophobicContact CG-CG2 4.08Å; R598-V602 WeakPolarHBondContact O-CB 3.39Å; R598-V602 VanDerWaalsContact O-CG2 3.28Å; R598-V602 WeakPolarHBondContact O-CG2 3.22Å; R598-V602 PolarHBondContact O-N 3.48Å |
| 599 | A | 83.5 | Confident | 80.5 | Confident | 76 Ų | 76 | 78.3 Ų | 78.3 | 63% | 0.628 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -58.2 | -38.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | P597 S603 | P597-A599 PolarHBondContact O-N 2.88Å; P597-A599 VanDerWaalsContact O-N 3.15Å; A599-S603 WeakPolarHBondContact O-CB 3.43Å; A599-S603 PolarHBondContact O-N 2.97Å; A599-S603 PolarHBondContact O-OG 3.04Å |
| 600 | F | 86.1 | Confident | 81.1 | Confident | 25 Ų | 25 | 78 Ų | 78 | 11% | 0.11 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63.8 | -53.9 | 174.5 | 175.7 | -89.3 | 0 | 0 | 0 | 110.1 | Y563 K591 L593 K596 P597 R598 V602 S603 W604 | Y563-F600 AromaticContact CD2-CE1 3.85Å; Y563-F600 HydrophobicContact CD2-CE1 3.85Å; Y563-F600 HydrophobicContact CD2-CZ 4.49Å; Y563-F600 AromaticContact CE2-CE1 3.63Å; Y563-F600 HydrophobicContact CE2-CE1 3.63Å; Y563-F600 AromaticContact CE2-CZ 3.82Å; Y563-F600 HydrophobicContact CE2-CZ 3.82Å; K591-F600 HydrophobicContact CB-CE2 4.21Å; K591-F600 HydrophobicContact CB-CZ 4.06Å; K591-F600 HydrophobicContact CD-CE2 4.17Å; L593-F600 HydrophobicContact CD1-CD2 4.13Å; L593-F600 HydrophobicContact CD1-CE2 3.53Å; L593-F600 HydrophobicContact CD1-CZ 3.87Å; K596-F600 HydrophobicContact CB-CD1 3.95Å; K596-F600 HydrophobicContact CB-CE1 4.46Å; K596-F600 HydrophobicContact CD-CD1 4.13Å; K596-F600 HydrophobicContact CD-CE1 3.8Å; K596-F600 HydrophobicContact CG-CD1 3.87Å; K596-F600 HydrophobicContact CG-CE1 3.91Å; P597-F600 HydrophobicContact CG-CB 3.93Å; P597-F600 VanDerWaalsContact O-CB 3.32Å; P597-F600 WeakPolarHBondContact O-CB 3.5Å; P597-F600 PolarHBondContact O-N 2.98Å; R598-F600 VanDerWaalsContact C-N 3.27Å; R598-F600 PolarHBondContact O-N 3.39Å; F600-V602 VanDerWaalsContact C-N 3.31Å; F600-V602 PolarHBondContact O-N 3.06Å; F600-S603 PolarHBondContact O-N 3.23Å; F600-S603 PolarHBondContact O-OG 3.24Å; F600-W604 AromaticContact CD1-CD1 3.94Å; F600-W604 AromaticContact CD2-NE1 3.73Å; F600-W604 AromaticContact CE1-CD1 3.65Å; F600-W604 AromaticContact CE1-NE1 3.7Å; F600-W604 AromaticContact CE2-CD1 3.76Å; F600-W604 AromaticContact CE2-NE1 3.11Å; F600-W604 AromaticContact CZ-CD1 3.57Å; F600-W604 AromaticContact CZ-CE2 3.91Å; F600-W604 HydrophobicContact CZ-CZ2 4.44Å; F600-W604 AromaticContact CZ-NE1 3.09Å; F600-W604 VanDerWaalsContact O-CD1 3.25Å; F600-W604 PolarHBondContact O-N 2.88Å |
| 601 | V | 85.8 | Confident | 81.8 | Confident | 4 Ų | 4 | 72.9 Ų | 72.9 | 2% | 0.024 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.1 | -41.7 | -177.4 | -173.6 | 0 | 0 | 0 | 0 | 111.2 | V519 Y534 K596 P597 R598 S603 W604 R605 | V519-V601 HydrophobicContact CB-CG1 4.44Å; V519-V601 HydrophobicContact CG1-CB 4.1Å; V519-V601 HydrophobicContact CG1-CG1 3.46Å; V519-V601 VanDerWaalsContact CG1-CG1 3.46Å; V519-V601 HydrophobicContact CG2-CG1 4.07Å; Y534-V601 HydrophobicContact CD1-CG1 4.45Å; Y534-V601 HydrophobicContact CD2-CG1 4.41Å; Y534-V601 HydrophobicContact CE1-CG1 3.75Å; Y534-V601 VanDerWaalsContact CE1-O 3.23Å; Y534-V601 WeakPolarHBondContact CE1-O 3.38Å; Y534-V601 HydrophobicContact CE2-CG1 3.7Å; Y534-V601 WeakPolarHBondContact OH-CA 3.45Å; Y534-V601 VanDerWaalsContact OH-CG1 3.3Å; Y534-V601 WeakPolarHBondContact OH-CG1 3.21Å; Y534-V601 PolarHBondContact OH-O 3.12Å; K596-V601 HydrophobicContact CB-CG2 3.95Å; P597-V601 PolarHBondContact O-N 3.11Å; R598-V601 PolarHBondContact O-N 2.94Å; V601-S603 VanDerWaalsContact C-N 3.32Å; V601-S603 PolarHBondContact O-N 2.96Å; V601-W604 PolarHBondContact O-N 3.42Å; V601-R605 PolarHBondContact O-N 2.98Å |
| 602 | V | 88.5 | Confident | 82.5 | Confident | 66 Ų | 66 | 67.5 Ų | 67.5 | 40% | 0.4 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.6 | -38.4 | 175 | 172.7 | 0 | 0 | 0 | 0 | 112.2 | V519 R598 F600 W604 R605 | V519-V602 HydrophobicContact CB-CG2 4.21Å; V519-V602 HydrophobicContact CG2-CG2 4.42Å; R598-V602 HydrophobicContact CG-CG2 4.08Å; R598-V602 WeakPolarHBondContact O-CB 3.39Å; R598-V602 VanDerWaalsContact O-CG2 3.28Å; R598-V602 WeakPolarHBondContact O-CG2 3.22Å; R598-V602 PolarHBondContact O-N 3.48Å; F600-V602 VanDerWaalsContact C-N 3.31Å; F600-V602 PolarHBondContact O-N 3.06Å; V602-W604 VanDerWaalsContact C-N 3.3Å; V602-W604 PolarHBondContact O-N 3.3Å; V602-R605 WeakPolarHBondContact O-CB 3.49Å; V602-R605 PolarHBondContact O-N 3.05Å |
| 603 | S | 88.7 | Confident | 83.6 | Confident | 71 Ų | 71 | 66.1 Ų | 66.1 | 50% | 0.497 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.3 | -28.2 | 179.1 | 72.5 | 0 | 0 | 0 | 0 | 114.1 | A599 F600 V601 P606 | A599-S603 WeakPolarHBondContact O-CB 3.43Å; A599-S603 PolarHBondContact O-N 2.97Å; A599-S603 PolarHBondContact O-OG 3.04Å; F600-S603 PolarHBondContact O-N 3.23Å; F600-S603 PolarHBondContact O-OG 3.24Å; V601-S603 VanDerWaalsContact C-N 3.32Å; V601-S603 PolarHBondContact O-N 2.96Å; S603-P606 WeakPolarHBondContact O-CD 3.37Å |
| 604 | W | 88.7 | Confident | 84.8 | Confident | 15 Ų | 15 | 66.9 Ų | 66.9 | 6% | 0.057 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -88.6 | -13.7 | 180 | -78.4 | 93.1 | 0 | 0 | 0 | 114 | Y534 Y563 Y567 P588 K591 F600 V601 V602 T607 F608 | Y534-W604 WeakPolarHBondContact OH-CB 3.4Å; Y563-W604 AromaticContact CE2-CD2 3.87Å; Y563-W604 HydrophobicContact CE2-CD2 3.87Å; Y563-W604 HydrophobicContact CE2-CE3 4.27Å; Y563-W604 AromaticContact CE2-CG 3.96Å; Y563-W604 HydrophobicContact CE2-CG 3.96Å; Y563-W604 HydrophobicContact CE2-CZ2 4.49Å; Y567-W604 WeakPolarHBondContact OH-CH2 3.45Å; Y567-W604 VanDerWaalsContact OH-CZ3 3.3Å; Y567-W604 WeakPolarHBondContact OH-CZ3 3.41Å; P588-W604 HydrophobicContact CB-CH2 3.8Å; P588-W604 HydrophobicContact CB-CZ3 3.89Å; P588-W604 HydrophobicContact CG-CH2 4.15Å; P588-W604 HydrophobicContact CG-CZ3 3.74Å; K591-W604 HydrophobicContact CB-CZ2 4.45Å; K591-W604 HydrophobicContact CD-CZ2 3.67Å; K591-W604 HydrophobicContact CG-CH2 4.48Å; K591-W604 HydrophobicContact CG-CZ2 3.85Å; F600-W604 AromaticContact CD1-CD1 3.94Å; F600-W604 AromaticContact CD2-NE1 3.73Å; F600-W604 AromaticContact CE1-CD1 3.65Å; F600-W604 AromaticContact CE1-NE1 3.7Å; F600-W604 AromaticContact CE2-CD1 3.76Å; F600-W604 AromaticContact CE2-NE1 3.11Å; F600-W604 AromaticContact CZ-CD1 3.57Å; F600-W604 AromaticContact CZ-CE2 3.91Å; F600-W604 HydrophobicContact CZ-CZ2 4.44Å; F600-W604 AromaticContact CZ-NE1 3.09Å; F600-W604 VanDerWaalsContact O-CD1 3.25Å; F600-W604 PolarHBondContact O-N 2.88Å; V601-W604 PolarHBondContact O-N 3.42Å; V602-W604 VanDerWaalsContact C-N 3.3Å; V602-W604 PolarHBondContact O-N 3.3Å; W604-T607 HydrophobicContact CE3-CG2 4.32Å; W604-T607 HydrophobicContact CZ3-CG2 4.49Å; W604-T607 WeakPolarHBondContact O-CB 3.22Å; W604-T607 PolarHBondContact O-N 3.03Å; W604-T607 VanDerWaalsContact O-N 3.08Å; W604-F608 HydrophobicContact CB-CD2 4.19Å; W604-F608 HydrophobicContact CB-CE2 3.82Å; W604-F608 HydrophobicContact CE3-CZ 4.29Å; W604-F608 WeakPolarHBondContact O-CD2 3.45Å; W604-F608 PolarHBondContact O-N 3.05Å; W604-F608 VanDerWaalsContact O-N 3.17Å |
| 605 | R | 91.2 | Very high | 86.2 | Confident | 81 Ų | 81 | 55 Ų | 55 | 31% | 0.306 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -46.9 | -52.4 | 176.9 | -173.4 | -168.8 | 71.7 | 90.8 | -5.4 | 114 | V516 P517 V519 Y534 V601 V602 T607 F608 D609 | V516-R605 HydrophobicContact CB-CG 4.44Å; V516-R605 HydrophobicContact CG1-CG 4Å; V516-R605 VanDerWaalsContact O-CD 3.28Å; V516-R605 WeakPolarHBondContact O-CD 3.5Å; V516-R605 WeakPolarHBondContact O-CG 3.29Å; V516-R605 PolarHBondContact O-NH1 3.37Å; P517-R605 WeakPolarHBondContact O-CD 3.46Å; P517-R605 PolarHBondContact O-NH1 3.2Å; V519-R605 HydrophobicContact CG2-CB 4.35Å; V519-R605 HydrophobicContact CG2-CG 4.45Å; Y534-R605 HydrophobicContact CD1-CB 4.36Å; Y534-R605 HydrophobicContact CD1-CG 4.48Å; Y534-R605 HydrophobicContact CE1-CB 4.09Å; V601-R605 PolarHBondContact O-N 2.98Å; V602-R605 WeakPolarHBondContact O-CB 3.49Å; V602-R605 PolarHBondContact O-N 3.05Å; R605-T607 VanDerWaalsContact C-N 3.26Å; R605-T607 PolarHBondContact O-N 3.43Å; R605-F608 PolarHBondContact O-N 3.48Å; R605-D609 WeakPolarHBondContact O-CB 3.35Å; R605-D609 PolarHBondContact O-N 3.29Å |
| 606 | P | 90.4 | Very high | 87.4 | Confident | 69 Ų | 69 | 50.5 Ų | 50.5 | 45% | 0.448 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.3 | -29.9 | -178.7 | 25.9 | -35.6 | 0 | 0 | 0 | 113.2 | S603 Q610 | S603-P606 WeakPolarHBondContact O-CD 3.37Å; P606-Q610 WeakPolarHBondContact O-CB 3.17Å; P606-Q610 PolarHBondContact O-N 3.29Å; P606-Q610 VanDerWaalsContact O-N 3.08Å |
| 607 | T | 89.9 | Confident | 88 | Confident | 45 Ų | 45 | 51.4 Ų | 51.4 | 28% | 0.276 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.9 | -46.5 | 177.1 | -52 | 0 | 0 | 0 | 0 | 111 | L587 P588 W604 R605 Q610 F611 | L587-T607 HydrophobicContact CD2-CG2 4.44Å; P588-T607 HydrophobicContact CG-CG2 4.07Å; W604-T607 HydrophobicContact CE3-CG2 4.32Å; W604-T607 HydrophobicContact CZ3-CG2 4.49Å; W604-T607 WeakPolarHBondContact O-CB 3.22Å; W604-T607 PolarHBondContact O-N 3.03Å; W604-T607 VanDerWaalsContact O-N 3.08Å; R605-T607 VanDerWaalsContact C-N 3.26Å; R605-T607 PolarHBondContact O-N 3.43Å; T607-Q610 PolarHBondContact O-N 3.29Å; T607-F611 WeakPolarHBondContact O-CB 2.97Å; T607-F611 PolarHBondContact O-N 3.04Å |
| 608 | F | 92.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70 | -36.6 | 177.7 | -65.9 | -45.8 | 0 | 0 | 0 | 112.9 | Y534 Y563 F566 Y567 L587 W604 R605 Q610 F611 V612 | Y534-F608 HydrophobicContact CD1-CD2 4.33Å; Y534-F608 HydrophobicContact CD2-CD2 4.31Å; Y534-F608 AromaticContact CE1-CD2 3.82Å; Y534-F608 HydrophobicContact CE1-CD2 3.82Å; Y534-F608 HydrophobicContact CE1-CE2 4.31Å; Y534-F608 AromaticContact CE2-CD2 3.8Å; Y534-F608 HydrophobicContact CE2-CD2 3.8Å; Y534-F608 AromaticContact CE2-CE2 3.71Å; Y534-F608 HydrophobicContact CE2-CE2 3.71Å; Y534-F608 AromaticContact CZ-CD2 3.52Å; Y534-F608 AromaticContact CZ-CE2 3.56Å; Y534-F608 WeakPolarHBondContact OH-CE2 3.42Å; Y563-F608 AromaticContact CD2-CE2 3.66Å; Y563-F608 HydrophobicContact CD2-CE2 3.66Å; Y563-F608 AromaticContact CD2-CZ 3.69Å; Y563-F608 HydrophobicContact CD2-CZ 3.69Å; Y563-F608 HydrophobicContact CE2-CE2 4.07Å; Y563-F608 AromaticContact CE2-CZ 3.79Å; Y563-F608 HydrophobicContact CE2-CZ 3.79Å; Y563-F608 HydrophobicContact CG-CE2 4.41Å; Y563-F608 HydrophobicContact CG-CZ 4.3Å; F566-F608 HydrophobicContact CB-CD1 3.58Å; F566-F608 HydrophobicContact CB-CE1 3.45Å; F566-F608 VanDerWaalsContact CB-CE1 3.45Å; F566-F608 HydrophobicContact CB-CG 4.43Å; F566-F608 HydrophobicContact CB-CZ 4.19Å; F566-F608 HydrophobicContact CD1-CB 3.91Å; F566-F608 AromaticContact CD1-CD1 3.64Å; F566-F608 HydrophobicContact CD1-CD1 3.64Å; F566-F608 HydrophobicContact CD1-CE1 4.38Å; F566-F608 AromaticContact CD1-CG 3.89Å; F566-F608 HydrophobicContact CD1-CG 3.89Å; F566-F608 AromaticContact CD2-CD1 3.91Å; F566-F608 HydrophobicContact CD2-CD1 3.91Å; F566-F608 HydrophobicContact CD2-CD2 4.06Å; F566-F608 HydrophobicContact CD2-CE1 4.08Å; F566-F608 HydrophobicContact CD2-CE2 4.21Å; F566-F608 AromaticContact CD2-CG 3.91Å; F566-F608 HydrophobicContact CD2-CG 3.91Å; F566-F608 HydrophobicContact CD2-CZ 4.22Å; F566-F608 HydrophobicContact CE1-CB 3.68Å; F566-F608 HydrophobicContact CE1-CD1 4.29Å; F566-F608 HydrophobicContact CE1-CG 4.07Å; F566-F608 HydrophobicContact CE2-CB 4.33Å; F566-F608 HydrophobicContact CE2-CD2 4.16Å; F566-F608 HydrophobicContact CE2-CG 4.11Å; F566-F608 HydrophobicContact CG-CB 4.33Å; F566-F608 AromaticContact CG-CD1 3.42Å; F566-F608 HydrophobicContact CG-CD1 3.42Å; F566-F608 VanDerWaalsContact CG-CD1 3.42Å; F566-F608 HydrophobicContact CG-CD2 4.39Å; F566-F608 AromaticContact CG-CE1 3.73Å; F566-F608 HydrophobicContact CG-CE1 3.73Å; F566-F608 AromaticContact CG-CG 3.81Å; F566-F608 HydrophobicContact CG-CG 3.81Å; F566-F608 HydrophobicContact CG-CZ 4.32Å; F566-F608 HydrophobicContact CZ-CB 3.91Å; F566-F608 HydrophobicContact CZ-CG 4.18Å; Y567-F608 HydrophobicContact CE2-CE1 4.13Å; Y567-F608 AromaticContact CE2-CZ 3.95Å; Y567-F608 HydrophobicContact CE2-CZ 3.95Å; L587-F608 HydrophobicContact CD1-CE1 4.21Å; L587-F608 HydrophobicContact CD2-CD1 3.83Å; L587-F608 HydrophobicContact CD2-CE1 3.85Å; W604-F608 HydrophobicContact CB-CD2 4.19Å; W604-F608 HydrophobicContact CB-CE2 3.82Å; W604-F608 HydrophobicContact CE3-CZ 4.29Å; W604-F608 WeakPolarHBondContact O-CD2 3.45Å; W604-F608 PolarHBondContact O-N 3.05Å; W604-F608 VanDerWaalsContact O-N 3.17Å; R605-F608 PolarHBondContact O-N 3.48Å; F608-Q610 VanDerWaalsContact C-N 3.34Å; F608-Q610 PolarHBondContact O-N 3.34Å; F608-F611 PolarHBondContact O-N 2.65Å; F608-V612 WeakPolarHBondContact O-CG2 3.39Å; F608-V612 PolarHBondContact O-N 2.91Å |
| 609 | D | 91.5 | Very high | 88.3 | Confident | 25 Ų | 25 | 45.3 Ų | 45.3 | 13% | 0.134 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -55.9 | -49 | 171.6 | -179.5 | 69 | 0 | 0 | 0 | 111.5 | C515 V516 R605 K613 | C515-D609 VanDerWaalsContact CA-OD1 3.32Å; C515-D609 WeakPolarHBondContact CA-OD1 3.1Å; V516-D609 HydrophobicContact CB-CB 4.05Å; V516-D609 HydrophobicContact CG2-CB 4.28Å; V516-D609 PolarHBondContact N-OD1 3.35Å; R605-D609 WeakPolarHBondContact O-CB 3.35Å; R605-D609 PolarHBondContact O-N 3.29Å; D609-K613 VanDerWaalsContact CG-NZ 3.26Å; D609-K613 WeakPolarHBondContact O-CB 3.39Å; D609-K613 VanDerWaalsContact O-CG 3.29Å; D609-K613 WeakPolarHBondContact O-CG 3.14Å; D609-K613 PolarHBondContact O-N 3.45Å; D609-K613 VanDerWaalsContact OD1-CE 3.3Å; D609-K613 WeakPolarHBondContact OD1-CE 3.46Å; D609-K613 IonicContact OD1-NZ 3.93Å; D609-K613 PolarHBondContact OD1-NZ 3.26Å; D609-K613 VanDerWaalsContact OD1-NZ 3.08Å; D609-K613 WeakPolarHBondContact OD2-CE 3.35Å; D609-K613 IonicContact OD2-NZ 3.08Å; D609-K613 PolarHBondContact OD2-NZ 3.17Å |
| 610 | Q | 90.2 | Very high | 88.2 | Confident | 95 Ų | 95 | 46.2 Ų | 46.2 | 44% | 0.444 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -68.7 | -36.7 | 178.8 | -166.7 | 177.1 | 50.7 | 0 | 0 | 112.5 | P606 T607 F608 R614 | P606-Q610 WeakPolarHBondContact O-CB 3.17Å; P606-Q610 PolarHBondContact O-N 3.29Å; P606-Q610 VanDerWaalsContact O-N 3.08Å; T607-Q610 PolarHBondContact O-N 3.29Å; F608-Q610 VanDerWaalsContact C-N 3.34Å; F608-Q610 PolarHBondContact O-N 3.34Å; Q610-R614 VanDerWaalsContact CD-NH2 3.28Å; Q610-R614 WeakPolarHBondContact O-CG 3.25Å; Q610-R614 PolarHBondContact O-N 2.97Å; Q610-R614 VanDerWaalsContact O-N 3.1Å; Q610-R614 VanDerWaalsContact OE1-NH1 3.14Å |
| 611 | F | 90.9 | Very high | 88 | Confident | 12 Ų | 12 | 45.1 Ų | 45.1 | 5% | 0.053 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.1 | -54.2 | 177.5 | 175.2 | -108.4 | 0 | 0 | 0 | 111.6 | F566 L569 E570 L582 L587 T607 F608 K613 R614 L615 | F566-F611 HydrophobicContact CD1-CD1 4.18Å; L569-F611 HydrophobicContact CD2-CE1 4.3Å; E570-F611 HydrophobicContact CB-CE2 4.43Å; E570-F611 HydrophobicContact CB-CZ 3.87Å; E570-F611 HydrophobicContact CG-CZ 4.42Å; L582-F611 HydrophobicContact CD2-CE2 4.27Å; L587-F611 HydrophobicContact CD1-CD1 4.31Å; L587-F611 HydrophobicContact CD1-CD2 4.43Å; L587-F611 HydrophobicContact CD1-CE1 4Å; L587-F611 HydrophobicContact CD1-CE2 4.15Å; L587-F611 HydrophobicContact CD1-CZ 3.92Å; L587-F611 HydrophobicContact CD2-CB 3.83Å; L587-F611 HydrophobicContact CD2-CD1 4.03Å; L587-F611 HydrophobicContact CD2-CD2 3.67Å; L587-F611 HydrophobicContact CD2-CE1 4.5Å; L587-F611 HydrophobicContact CD2-CE2 4.19Å; L587-F611 HydrophobicContact CD2-CG 3.58Å; L587-F611 HydrophobicContact CG-CD1 4.37Å; L587-F611 HydrophobicContact CG-CD2 3.76Å; L587-F611 HydrophobicContact CG-CE1 4.36Å; L587-F611 HydrophobicContact CG-CE2 3.76Å; L587-F611 HydrophobicContact CG-CG 4.08Å; L587-F611 HydrophobicContact CG-CZ 4.06Å; T607-F611 WeakPolarHBondContact O-CB 2.97Å; T607-F611 PolarHBondContact O-N 3.04Å; F608-F611 PolarHBondContact O-N 2.65Å; F611-K613 PolarHBondContact O-N 2.95Å; F611-R614 PolarHBondContact O-N 3.36Å; F611-L615 HydrophobicContact CD1-CD1 4.08Å; F611-L615 HydrophobicContact CE1-CD1 3.55Å; F611-L615 HydrophobicContact CE1-CG 4.41Å; F611-L615 HydrophobicContact CE2-CD1 4.24Å; F611-L615 HydrophobicContact CE2-CD2 4.35Å; F611-L615 HydrophobicContact CE2-CG 4.36Å; F611-L615 HydrophobicContact CZ-CD1 3.64Å; F611-L615 HydrophobicContact CZ-CD2 4.41Å; F611-L615 HydrophobicContact CZ-CG 4.25Å; F611-L615 WeakPolarHBondContact O-CG 3.22Å; F611-L615 PolarHBondContact O-N 3.05Å |
| 612 | V | 90.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.7 | -40.1 | -178.7 | -179.3 | 0 | 0 | 0 | 0 | 111.9 | V514 F566 F608 R614 L615 L616 F630 L631 | V514-V612 HydrophobicContact CB-CG1 4.13Å; V514-V612 HydrophobicContact CG1-CB 4.38Å; V514-V612 HydrophobicContact CG1-CG1 3.6Å; F566-V612 HydrophobicContact CD1-CG2 4.1Å; F566-V612 HydrophobicContact CE1-CG2 3.65Å; F608-V612 WeakPolarHBondContact O-CG2 3.39Å; F608-V612 PolarHBondContact O-N 2.91Å; V612-R614 VanDerWaalsContact C-N 3.29Å; V612-R614 PolarHBondContact O-N 3.2Å; V612-L615 PolarHBondContact O-N 2.82Å; V612-L616 HydrophobicContact CG1-CD1 4.47Å; V612-L616 PolarHBondContact O-N 2.98Å; V612-F630 HydrophobicContact CG2-CE1 4.24Å; V612-L631 HydrophobicContact CG1-CD2 3.92Å |
| 613 | K | 91.3 | Very high | 87.2 | Confident | 87 Ų | 87 | 51 Ų | 51 | 38% | 0.378 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.7 | -39.2 | 175 | -76.3 | 172.1 | -179.6 | 167.2 | 0 | 112.6 | V514 D609 F611 A617 | V514-K613 WeakPolarHBondContact O-CE 3.42Å; V514-K613 WeakPolarHBondContact O-CG 3.5Å; D609-K613 VanDerWaalsContact CG-NZ 3.26Å; D609-K613 WeakPolarHBondContact O-CB 3.39Å; D609-K613 VanDerWaalsContact O-CG 3.29Å; D609-K613 WeakPolarHBondContact O-CG 3.14Å; D609-K613 PolarHBondContact O-N 3.45Å; D609-K613 VanDerWaalsContact OD1-CE 3.3Å; D609-K613 WeakPolarHBondContact OD1-CE 3.46Å; D609-K613 IonicContact OD1-NZ 3.93Å; D609-K613 PolarHBondContact OD1-NZ 3.26Å; D609-K613 VanDerWaalsContact OD1-NZ 3.08Å; D609-K613 WeakPolarHBondContact OD2-CE 3.35Å; D609-K613 IonicContact OD2-NZ 3.08Å; D609-K613 PolarHBondContact OD2-NZ 3.17Å; F611-K613 PolarHBondContact O-N 2.95Å; K613-A617 PolarHBondContact O-N 2.92Å; K613-A617 VanDerWaalsContact O-N 3.11Å |
| 614 | R | 87.5 | Confident | 86.9 | Confident | 91 Ų | 91 | 47.9 Ų | 47.9 | 34% | 0.343 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -73.6 | -36.2 | 177.7 | -76.2 | -175.5 | 179.8 | 134.1 | -2.2 | 112.8 | Q610 F611 V612 L616 A617 N618 | Q610-R614 VanDerWaalsContact CD-NH2 3.28Å; Q610-R614 WeakPolarHBondContact O-CG 3.25Å; Q610-R614 PolarHBondContact O-N 2.97Å; Q610-R614 VanDerWaalsContact O-N 3.1Å; Q610-R614 VanDerWaalsContact OE1-NH1 3.14Å; F611-R614 PolarHBondContact O-N 3.36Å; V612-R614 VanDerWaalsContact C-N 3.29Å; V612-R614 PolarHBondContact O-N 3.2Å; R614-L616 VanDerWaalsContact C-N 3.32Å; R614-L616 PolarHBondContact O-N 2.98Å; R614-A617 PolarHBondContact O-N 2.97Å; R614-N618 PolarHBondContact O-N 2.99Å |
| 615 | L | 88.5 | Confident | 86.3 | Confident | 6 Ų | 6 | 49.5 Ų | 49.5 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60 | -44.3 | 173.5 | -68.1 | -178.2 | 0 | 0 | 0 | 111 | L569 L573 L582 F611 V612 A617 N618 L621 L627 | L569-L615 HydrophobicContact CD2-CD1 3.76Å; L569-L615 HydrophobicContact CG-CD1 4.48Å; L573-L615 HydrophobicContact CD1-CD1 3.76Å; L573-L615 HydrophobicContact CD1-CD2 3.81Å; L573-L615 HydrophobicContact CD1-CG 4.41Å; L582-L615 HydrophobicContact CD2-CD2 4.09Å; F611-L615 HydrophobicContact CD1-CD1 4.08Å; F611-L615 HydrophobicContact CE1-CD1 3.55Å; F611-L615 HydrophobicContact CE1-CG 4.41Å; F611-L615 HydrophobicContact CE2-CD1 4.24Å; F611-L615 HydrophobicContact CE2-CD2 4.35Å; F611-L615 HydrophobicContact CE2-CG 4.36Å; F611-L615 HydrophobicContact CZ-CD1 3.64Å; F611-L615 HydrophobicContact CZ-CD2 4.41Å; F611-L615 HydrophobicContact CZ-CG 4.25Å; F611-L615 WeakPolarHBondContact O-CG 3.22Å; F611-L615 PolarHBondContact O-N 3.05Å; V612-L615 PolarHBondContact O-N 2.82Å; L615-A617 VanDerWaalsContact C-N 3.31Å; L615-A617 PolarHBondContact O-N 3.47Å; L615-N618 WeakPolarHBondContact O-CB 3.48Å; L615-N618 PolarHBondContact O-N 3.12Å; L615-N618 VanDerWaalsContact O-N 3.1Å; L615-L621 HydrophobicContact CB-CD1 4.13Å; L615-L621 HydrophobicContact CD2-CD1 3.75Å; L615-L621 HydrophobicContact CG-CD1 4.5Å; L615-L627 HydrophobicContact CB-CD1 4.2Å; L615-L627 HydrophobicContact CB-CD2 4.1Å; L615-L627 HydrophobicContact CD1-CD1 4.12Å |
| 616 | L | 87.6 | Confident | 85.9 | Confident | 20 Ų | 20 | 46.3 Ų | 46.3 | 11% | 0.105 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.3 | -29 | 175.4 | -76.4 | 171.8 | 0 | 0 | 0 | 113.9 | M509 V514 V612 R614 N618 L627 L631 | M509-L616 HydrophobicContact CB-CD2 3.58Å; M509-L616 HydrophobicContact CG-CD2 4.33Å; M509-L616 HydrophobicContact SD-CD2 4.05Å; V514-L616 HydrophobicContact CB-CD1 3.71Å; V514-L616 HydrophobicContact CG2-CD1 3.26Å; V612-L616 HydrophobicContact CG1-CD1 4.47Å; V612-L616 PolarHBondContact O-N 2.98Å; R614-L616 VanDerWaalsContact C-N 3.32Å; R614-L616 PolarHBondContact O-N 2.98Å; L616-N618 PolarHBondContact O-N 3.48Å; L616-L627 HydrophobicContact CD2-CD2 3.9Å; L616-L627 HydrophobicContact CG-CD2 4.27Å; L616-L631 HydrophobicContact CD1-CD1 4.08Å; L616-L631 HydrophobicContact CD2-CD1 3.92Å; L616-L631 HydrophobicContact CG-CD1 4.27Å |
| 617 | A | 85.4 | Confident | 85.6 | Confident | 79 Ų | 79 | 43 Ų | 43 | 65% | 0.653 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -72.3 | -14.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | K613 R614 L615 P619 | K613-A617 PolarHBondContact O-N 2.92Å; K613-A617 VanDerWaalsContact O-N 3.11Å; R614-A617 PolarHBondContact O-N 2.97Å; L615-A617 VanDerWaalsContact C-N 3.31Å; L615-A617 PolarHBondContact O-N 3.47Å; A617-P619 WeakPolarHBondContact O-CD 3.3Å |
| 618 | N | 84 | Confident | 85.4 | Confident | 10 Ų | 10 | 41.7 Ų | 41.7 | 5% | 0.053 | 22% | 0.22 | C | C | . | . | trans | -80.2 | 115.5 | 178.6 | -168.9 | -16.7 | 0 | 0 | 0 | 110.5 | I581 R614 L615 L616 V620 L621 | I581-N618 VanDerWaalsContact CG1-ND2 3.27Å; I581-N618 WeakPolarHBondContact CG1-ND2 3.41Å; I581-N618 PolarHBondContact O-ND2 3.09Å; R614-N618 PolarHBondContact O-N 2.99Å; L615-N618 WeakPolarHBondContact O-CB 3.48Å; L615-N618 PolarHBondContact O-N 3.12Å; L615-N618 VanDerWaalsContact O-N 3.1Å; L616-N618 PolarHBondContact O-N 3.48Å; N618-V620 PolarHBondContact O-N 3.2Å; N618-V620 VanDerWaalsContact O-N 3.14Å; N618-V620 PolarHBondContact OD1-N 2.91Å; N618-V620 VanDerWaalsContact OD1-N 3.13Å; N618-L621 HydrophobicContact CB-CB 4.49Å; N618-L621 HydrophobicContact CB-CD1 4.23Å; N618-L621 HydrophobicContact CB-CG 4.33Å; N618-L621 PolarHBondContact O-N 3.37Å | ||
| 619 | P | 82.1 | Confident | 85 | Confident | 75 Ų | 75 | 43.6 Ų | 43.6 | 49% | 0.487 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -61.2 | -25.2 | -178.7 | 25.3 | -35.2 | 0 | 0 | 0 | 113.9 | A617 L621 K622 | A617-P619 WeakPolarHBondContact O-CD 3.3Å; P619-L621 VanDerWaalsContact C-N 3.26Å; P619-L621 PolarHBondContact O-N 2.97Å; P619-K622 HydrophobicContact CB-CD 4.27Å; P619-K622 WeakPolarHBondContact O-CD 3.11Å; P619-K622 VanDerWaalsContact O-CG 3.31Å; P619-K622 WeakPolarHBondContact O-CG 3.39Å; P619-K622 PolarHBondContact O-N 3.4Å |
| 620 | V | 80.9 | Confident | 84.8 | Confident | 95 Ų | 95 | 42.5 Ų | 42.5 | 58% | 0.576 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -66.7 | -30.9 | 177.9 | -176.4 | 0 | 0 | 0 | 0 | 111.3 | I581 N618 | I581-V620 HydrophobicContact CD1-CB 4.16Å; I581-V620 HydrophobicContact CD1-CG1 3.8Å; N618-V620 PolarHBondContact O-N 3.2Å; N618-V620 VanDerWaalsContact O-N 3.14Å; N618-V620 PolarHBondContact OD1-N 2.91Å; N618-V620 VanDerWaalsContact OD1-N 3.13Å |
| 621 | L | 82.4 | Confident | 84.6 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -91.9 | 1.7 | -175.7 | -64.5 | 178.5 | 0 | 0 | 0 | 114.1 | M509 L573 I581 L615 N618 P619 N623 S624 L627 | M509-L621 WeakPolarHBondContact CE-O 3.29Å; L573-L621 HydrophobicContact CD1-CD1 4.2Å; L573-L621 HydrophobicContact CD2-CD2 3.73Å; I581-L621 HydrophobicContact CD1-CD1 4.31Å; I581-L621 HydrophobicContact CD1-CD2 3.44Å; I581-L621 VanDerWaalsContact CD1-CD2 3.44Å; I581-L621 HydrophobicContact CD1-CG 3.78Å; I581-L621 HydrophobicContact CG1-CD1 4.32Å; I581-L621 HydrophobicContact CG1-CD2 4.31Å; I581-L621 HydrophobicContact CG1-CG 4.2Å; L615-L621 HydrophobicContact CB-CD1 4.13Å; L615-L621 HydrophobicContact CD2-CD1 3.75Å; L615-L621 HydrophobicContact CG-CD1 4.5Å; N618-L621 HydrophobicContact CB-CB 4.49Å; N618-L621 HydrophobicContact CB-CD1 4.23Å; N618-L621 HydrophobicContact CB-CG 4.33Å; N618-L621 PolarHBondContact O-N 3.37Å; P619-L621 VanDerWaalsContact C-N 3.26Å; P619-L621 PolarHBondContact O-N 2.97Å; L621-N623 PolarHBondContact O-N 2.87Å; L621-N623 VanDerWaalsContact O-N 3.08Å; L621-S624 WeakPolarHBondContact O-CB 3.39Å; L621-S624 PolarHBondContact O-N 2.93Å; L621-L627 HydrophobicContact CB-CD2 4.09Å |
| 622 | K | 80 | Confident | 84.2 | Confident | 84 Ų | 84 | 38.9 Ų | 38.9 | 37% | 0.365 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -33 | -176.3 | -74.7 | 173.7 | 170.9 | -143.4 | 0 | 114.5 | M509 S510 P619 | M509-K622 VanDerWaalsContact CE-O 3.31Å; M509-K622 WeakPolarHBondContact CE-O 3.5Å; M509-K622 PolarHBondContact N-O 3.4Å; M509-K622 VanDerWaalsContact N-O 3.1Å; S510-K622 WeakPolarHBondContact OG-CD 3.46Å; S510-K622 WeakPolarHBondContact OG-CE 3.36Å; S510-K622 WeakPolarHBondContact OG-CG 3.4Å; S510-K622 PolarHBondContact OG-NZ 3.47Å; P619-K622 HydrophobicContact CB-CD 4.27Å; P619-K622 WeakPolarHBondContact O-CD 3.11Å; P619-K622 VanDerWaalsContact O-CG 3.31Å; P619-K622 WeakPolarHBondContact O-CG 3.39Å; P619-K622 PolarHBondContact O-N 3.4Å |
| 623 | N | 78 | Confident | 83.7 | Confident | 110 Ų | 110 | 40.1 Ų | 40.1 | 59% | 0.588 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113.7 | 13.9 | 178.4 | -65 | -28.4 | 0 | 0 | 0 | 112.7 | L621 E625 | L621-N623 PolarHBondContact O-N 2.87Å; L621-N623 VanDerWaalsContact O-N 3.08Å; N623-E625 PolarHBondContact O-N 2.94Å |
| 624 | S | 81 | Confident | 82.8 | Confident | 6 Ų | 6 | 43.9 Ų | 43.9 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | trans | -62.6 | 125.7 | -178.4 | 169.3 | 0 | 0 | 0 | 0 | 110.1 | L621 L626 L627 F628 E659 | L621-S624 WeakPolarHBondContact O-CB 3.39Å; L621-S624 PolarHBondContact O-N 2.93Å; S624-L626 VanDerWaalsContact C-N 3.34Å; S624-L626 PolarHBondContact OG-N 3.4Å; S624-L627 PolarHBondContact OG-N 2.68Å; S624-F628 VanDerWaalsContact O-CB 3.24Å; S624-F628 WeakPolarHBondContact O-CB 3.35Å; S624-F628 PolarHBondContact O-N 3.17Å; S624-E659 PolarHBondContact OG-OE1 2.98Å | ||
| 625 | E | 77.5 | Confident | 82 | Confident | 48 Ų | 48 | 47.2 Ų | 47.2 | 22% | 0.224 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.3 | -39.7 | 176.1 | -175.9 | 160 | 131.2 | 0 | 0 | 110.7 | R507 N623 L627 F628 T629 E659 | R507-E625 IonicContact CZ-OE2 2.79Å; R507-E625 IonicContact NH1-OE2 3.09Å; R507-E625 PolarHBondContact NH1-OE2 3.07Å; R507-E625 IonicContact NH2-OE2 2.74Å; R507-E625 PolarHBondContact NH2-OE2 3.26Å; N623-E625 PolarHBondContact O-N 2.94Å; E625-L627 PolarHBondContact O-N 3.32Å; E625-F628 PolarHBondContact O-N 3.34Å; E625-T629 WeakPolarHBondContact O-CB 3.26Å; E625-T629 PolarHBondContact O-N 2.96Å; E625-T629 PolarHBondContact O-OG1 3.07Å; E625-E659 PolarHBondContact N-OE1 3.4Å |
| 626 | L | 82 | Confident | 80.8 | Confident | 14 Ų | 14 | 51.1 Ų | 51.1 | 7% | 0.073 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60 | -46.7 | 178.7 | -67.5 | 174.1 | 0 | 0 | 0 | 111.6 | L569 K572 L573 F576 S624 F630 F639 E659 | L569-L626 HydrophobicContact CD1-CB 4.11Å; K572-L626 HydrophobicContact CB-CD1 3.84Å; L573-L626 HydrophobicContact CD2-CB 4.22Å; L573-L626 HydrophobicContact CD2-CD1 4.12Å; F576-L626 HydrophobicContact CD2-CD1 3.82Å; F576-L626 HydrophobicContact CE2-CD1 4.26Å; S624-L626 VanDerWaalsContact C-N 3.34Å; S624-L626 PolarHBondContact OG-N 3.4Å; L626-F630 VanDerWaalsContact O-CB 3.29Å; L626-F630 WeakPolarHBondContact O-CB 3.45Å; L626-F630 PolarHBondContact O-N 3.25Å; L626-F639 HydrophobicContact CD2-CE1 4.33Å; L626-F639 HydrophobicContact CD2-CE2 4.07Å; L626-F639 HydrophobicContact CD2-CZ 3.78Å; L626-E659 HydrophobicContact CG-CG 4.4Å |
| 627 | L | 85.4 | Confident | 79.5 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -71 | -39.6 | 178.4 | -176.5 | 62.9 | 0 | 0 | 0 | 111.6 | M509 L569 L615 L616 L621 S624 E625 F630 L631 | M509-L627 HydrophobicContact CE-CB 4.02Å; M509-L627 HydrophobicContact CE-CD2 3.94Å; M509-L627 HydrophobicContact CE-CG 4.04Å; M509-L627 HydrophobicContact SD-CB 4.41Å; M509-L627 HydrophobicContact SD-CD2 4.25Å; M509-L627 HydrophobicContact SD-CG 4.01Å; L569-L627 HydrophobicContact CD2-CD1 4.17Å; L615-L627 HydrophobicContact CB-CD1 4.2Å; L615-L627 HydrophobicContact CB-CD2 4.1Å; L615-L627 HydrophobicContact CD1-CD1 4.12Å; L616-L627 HydrophobicContact CD2-CD2 3.9Å; L616-L627 HydrophobicContact CG-CD2 4.27Å; L621-L627 HydrophobicContact CB-CD2 4.09Å; S624-L627 PolarHBondContact OG-N 2.68Å; E625-L627 PolarHBondContact O-N 3.32Å; L627-F630 WeakPolarHBondContact O-CB 3.29Å; L627-F630 PolarHBondContact O-N 3.36Å; L627-L631 HydrophobicContact CD1-CD1 4.19Å; L627-L631 HydrophobicContact CD1-CG 4.43Å; L627-L631 HydrophobicContact CG-CD1 4.17Å; L627-L631 WeakPolarHBondContact O-CG 3.4Å; L627-L631 PolarHBondContact O-N 2.95Å; L627-L631 VanDerWaalsContact O-N 3.1Å |
| 628 | F | 83.8 | Confident | 78 | Confident | 17 Ų | 17 | 52 Ų | 52 | 8% | 0.075 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.8 | -53.6 | 175.3 | 178.4 | -94.5 | 0 | 0 | 0 | 111.1 | L504 R507 M509 W512 S624 E625 F630 L631 T632 | L504-F628 HydrophobicContact CB-CZ 4.43Å; R507-F628 HydrophobicContact CG-CD2 3.71Å; R507-F628 HydrophobicContact CG-CE2 3.97Å; R507-F628 HydrophobicContact CG-CG 4.03Å; M509-F628 HydrophobicContact CE-CB 4.31Å; M509-F628 HydrophobicContact SD-CB 4.06Å; W512-F628 AromaticContact CH2-CD2 3.65Å; W512-F628 HydrophobicContact CH2-CD2 3.65Å; W512-F628 AromaticContact CH2-CE2 3.54Å; W512-F628 HydrophobicContact CH2-CE2 3.54Å; W512-F628 HydrophobicContact CZ2-CD2 4.32Å; W512-F628 HydrophobicContact CZ2-CE2 4.04Å; W512-F628 HydrophobicContact CZ3-CD2 4.33Å; S624-F628 VanDerWaalsContact O-CB 3.24Å; S624-F628 WeakPolarHBondContact O-CB 3.35Å; S624-F628 PolarHBondContact O-N 3.17Å; E625-F628 PolarHBondContact O-N 3.34Å; F628-F630 VanDerWaalsContact C-N 3.27Å; F628-F630 PolarHBondContact O-N 2.95Å; F628-L631 CarbonylContact O-C 3.55Å; F628-L631 PolarHBondContact O-N 3.41Å; F628-T632 HydrophobicContact CD2-CG2 4.25Å; F628-T632 HydrophobicContact CE1-CG2 4.21Å; F628-T632 HydrophobicContact CE2-CG2 3.93Å; F628-T632 HydrophobicContact CZ-CG2 3.91Å; F628-T632 PolarHBondContact O-N 3.26Å; F628-T632 PolarHBondContact O-OG1 3.29Å |
| 629 | T | 84.1 | Confident | 76.6 | Confident | 41 Ų | 41 | 55.2 Ų | 55.2 | 25% | 0.252 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60 | -37.4 | 177.4 | -53.5 | 0 | 0 | 0 | 0 | 111.4 | R561 E625 L631 T632 A633 L637 | R561-T629 PolarHBondContact NH2-O 2.89Å; E625-T629 WeakPolarHBondContact O-CB 3.26Å; E625-T629 PolarHBondContact O-N 2.96Å; E625-T629 PolarHBondContact O-OG1 3.07Å; T629-L631 PolarHBondContact O-N 2.94Å; T629-T632 PolarHBondContact O-N 3.43Å; T629-A633 HydrophobicContact CG2-CB 3.86Å; T629-A633 VanDerWaalsContact O-CB 3.24Å; T629-A633 WeakPolarHBondContact O-CB 3.22Å; T629-A633 PolarHBondContact O-N 3.47Å; T629-L637 HydrophobicContact CG2-CD2 3.87Å |
| 630 | F | 87.6 | Confident | 74.6 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.3 | -31.8 | 173.4 | -174.8 | -81.4 | 0 | 0 | 0 | 113 | R561 E565 F566 L569 V612 L626 L627 F628 L637 | R561-F630 HydrophobicContact CB-CZ 4.14Å; R561-F630 HydrophobicContact CG-CE1 4Å; R561-F630 HydrophobicContact CG-CE2 4.21Å; R561-F630 HydrophobicContact CG-CZ 3.69Å; R561-F630 PolarHBondContact NE-O 2.87Å; R561-F630 PolarHBondContact NH2-O 3.36Å; E565-F630 HydrophobicContact CB-CE2 4.16Å; F566-F630 HydrophobicContact CD1-CE1 4.41Å; F566-F630 HydrophobicContact CD1-CE2 4.44Å; F566-F630 AromaticContact CD1-CZ 3.69Å; F566-F630 HydrophobicContact CD1-CZ 3.69Å; F566-F630 HydrophobicContact CD2-CZ 4.46Å; F566-F630 AromaticContact CE1-CE1 3.99Å; F566-F630 HydrophobicContact CE1-CE1 3.99Å; F566-F630 AromaticContact CE1-CZ 3.53Å; F566-F630 HydrophobicContact CE1-CZ 3.53Å; F566-F630 HydrophobicContact CE2-CZ 4.32Å; F566-F630 HydrophobicContact CG-CZ 4.17Å; F566-F630 HydrophobicContact CZ-CE1 4.45Å; F566-F630 AromaticContact CZ-CZ 3.87Å; F566-F630 HydrophobicContact CZ-CZ 3.87Å; L569-F630 HydrophobicContact CB-CD2 3.98Å; L569-F630 HydrophobicContact CB-CE2 4.29Å; L569-F630 HydrophobicContact CD1-CB 4.24Å; L569-F630 HydrophobicContact CD1-CD2 4.38Å; L569-F630 HydrophobicContact CD2-CB 4.2Å; L569-F630 HydrophobicContact CD2-CD1 4.13Å; L569-F630 HydrophobicContact CD2-CD2 3.66Å; L569-F630 HydrophobicContact CD2-CE2 4.11Å; L569-F630 HydrophobicContact CD2-CG 3.74Å; L569-F630 HydrophobicContact CG-CD2 4.21Å; V612-F630 HydrophobicContact CG2-CE1 4.24Å; L626-F630 VanDerWaalsContact O-CB 3.29Å; L626-F630 WeakPolarHBondContact O-CB 3.45Å; L626-F630 PolarHBondContact O-N 3.25Å; L627-F630 WeakPolarHBondContact O-CB 3.29Å; L627-F630 PolarHBondContact O-N 3.36Å; F628-F630 VanDerWaalsContact C-N 3.27Å; F628-F630 PolarHBondContact O-N 2.95Å; F630-L637 HydrophobicContact CB-CD1 3.77Å; F630-L637 HydrophobicContact CD2-CD1 3.26Å; F630-L637 HydrophobicContact CE2-CD1 4.16Å; F630-L637 HydrophobicContact CG-CD1 3.91Å |
| 631 | L | 87.3 | Confident | 72.4 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -96.7 | -11.1 | -177.3 | -65.7 | 175.3 | 0 | 0 | 0 | 114.4 | M509 W512 V514 V536 I538 W557 V559 V612 L616 L627 F628 T629 | M509-L631 HydrophobicContact SD-CD1 4.09Å; W512-L631 HydrophobicContact CE3-CD1 4.17Å; W512-L631 HydrophobicContact CZ3-CB 4.06Å; W512-L631 HydrophobicContact CZ3-CD1 4.38Å; V514-L631 HydrophobicContact CG1-CD2 4.16Å; V514-L631 HydrophobicContact CG2-CD1 4.14Å; V514-L631 HydrophobicContact CG2-CD2 3.99Å; V536-L631 HydrophobicContact CG1-CD2 4.16Å; I538-L631 WeakPolarHBondContact CD1-O 2.99Å; I538-L631 HydrophobicContact CG1-CB 4.39Å; I538-L631 HydrophobicContact CG1-CD2 4.11Å; W557-L631 PolarHBondContact NE1-O 2.99Å; V559-L631 VanDerWaalsContact CG2-O 3.3Å; V559-L631 WeakPolarHBondContact CG2-O 3.3Å; V612-L631 HydrophobicContact CG1-CD2 3.92Å; L616-L631 HydrophobicContact CD1-CD1 4.08Å; L616-L631 HydrophobicContact CD2-CD1 3.92Å; L616-L631 HydrophobicContact CG-CD1 4.27Å; L627-L631 HydrophobicContact CD1-CD1 4.19Å; L627-L631 HydrophobicContact CD1-CG 4.43Å; L627-L631 HydrophobicContact CG-CD1 4.17Å; L627-L631 WeakPolarHBondContact O-CG 3.4Å; L627-L631 PolarHBondContact O-N 2.95Å; L627-L631 VanDerWaalsContact O-N 3.1Å; F628-L631 CarbonylContact O-C 3.55Å; F628-L631 PolarHBondContact O-N 3.41Å; T629-L631 PolarHBondContact O-N 2.94Å |
| 632 | T | 82.3 | Confident | 70.1 | Confident | 31 Ų | 31 | 64.5 Ų | 64.5 | 19% | 0.19 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -119.2 | -34.6 | -176 | 56.4 | 0 | 0 | 0 | 0 | 114.2 | L504 W512 W557 F628 T629 | L504-T632 HydrophobicContact CD1-CG2 3.93Å; W512-T632 HydrophobicContact CH2-CG2 3.79Å; W512-T632 HydrophobicContact CZ3-CG2 4.03Å; W557-T632 HydrophobicContact CZ2-CG2 4.19Å; F628-T632 HydrophobicContact CD2-CG2 4.25Å; F628-T632 HydrophobicContact CE1-CG2 4.21Å; F628-T632 HydrophobicContact CE2-CG2 3.93Å; F628-T632 HydrophobicContact CZ-CG2 3.91Å; F628-T632 PolarHBondContact O-N 3.26Å; F628-T632 PolarHBondContact O-OG1 3.29Å; T629-T632 PolarHBondContact O-N 3.43Å |
| 633 | A | 79.7 | Confident | 67.8 | Low | 27 Ų | 27 | 62.6 Ų | 62.6 | 22% | 0.223 | 33% | 0.331 | C | S | . | . | trans | -70.4 | 136.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V559 R561 T629 | V559-A633 VanDerWaalsContact CG1-O 3.31Å; V559-A633 WeakPolarHBondContact CG1-O 3.41Å; R561-A633 VanDerWaalsContact CZ-O 3.24Å; R561-A633 PolarHBondContact NH1-O 3.01Å; R561-A633 PolarHBondContact NH2-O 3.2Å; T629-A633 HydrophobicContact CG2-CB 3.86Å; T629-A633 VanDerWaalsContact O-CB 3.24Å; T629-A633 WeakPolarHBondContact O-CB 3.22Å; T629-A633 PolarHBondContact O-N 3.47Å | ||
| 634 | R | 70.9 | Confident | 65.8 | Low | 165 Ų | 165 | 63.2 Ų | 63.2 | 62% | 0.623 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -79.9 | -21.8 | 172.5 | -64.2 | -172.4 | -177 | -169.7 | 6.9 | 113 | Y497 | Y497-R634 PolarHBondContact O-NH2 2.74Š|
| 635 | E | 71.2 | Confident | 64 | Low | 162 Ų | 162 | 67.5 Ų | 67.5 | 76% | 0.757 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -74.4 | 154.6 | 179 | -61.7 | -177 | 174.7 | 0 | 0 | 112.8 | R561 | R561-E635 PolarHBondContact NH1-O 2.82Š|
| 636 | E | 64.5 | Low | 62.5 | Low | 87 Ų | 87 | 69.4 Ų | 69.4 | 41% | 0.407 | 37% | 0.372 | S | S | . | . | trans | -67.4 | 133.2 | 173.1 | -60.1 | -178.6 | 160.6 | 0 | 0 | 110.7 | R562 E565 N638 | R562-E636 WeakPolarHBondContact CD-OE1 3.28Å; R562-E636 IonicContact CZ-OE1 3.55Å; R562-E636 IonicContact CZ-OE2 3.96Å; R562-E636 IonicContact NE-OE1 3.29Å; R562-E636 PolarHBondContact NE-OE1 3.26Å; R562-E636 IonicContact NE-OE2 2.9Å; R562-E636 IonicContact NH1-OE1 3.32Å; R562-E636 PolarHBondContact NH1-OE1 3.17Å; R562-E636 IonicContact NH1-OE2 3.33Å; R562-E636 PolarHBondContact NH1-OE2 3.43Å; R562-E636 IonicContact NH2-OE1 2.81Å; R562-E636 PolarHBondContact NH2-OE1 3.02Å; R562-E636 IonicContact NH2-OE2 3.91Å; R562-E636 PolarHBondContact NH2-OE2 3.33Å; E565-E636 WeakPolarHBondContact OE1-CA 3.5Å; E636-N638 PolarHBondContact O-N 3.23Å | ||
| 637 | L | 59.1 | Low | 60.5 | Low | 13 Ų | 13 | 75.1 Ų | 75.1 | 7% | 0.068 | 40% | 0.397 | C | S | . | . | trans | -74.1 | 74.8 | 175.5 | -70 | 175.1 | 0 | 0 | 0 | 111.8 | E565 T629 F630 F639 | E565-L637 PolarHBondContact OE1-N 2.87Å; T629-L637 HydrophobicContact CG2-CD2 3.87Å; F630-L637 HydrophobicContact CB-CD1 3.77Å; F630-L637 HydrophobicContact CD2-CD1 3.26Å; F630-L637 HydrophobicContact CE2-CD1 4.16Å; F630-L637 HydrophobicContact CG-CD1 3.91Å; L637-F639 VanDerWaalsContact C-N 3.35Å; L637-F639 HydrophobicContact CB-CD2 4.22Å; L637-F639 HydrophobicContact CB-CE2 4.04Å; L637-F639 HydrophobicContact CD1-CE2 4.23Å; L637-F639 HydrophobicContact CD2-CE2 3.64Å; L637-F639 HydrophobicContact CD2-CZ 3.8Å; L637-F639 HydrophobicContact CG-CE2 4.2Å; L637-F639 PolarHBondContact O-N 3.44Å | ||
| 638 | N | 54.4 | Low | 58.5 | Low | 105 Ų | 105 | 75.9 Ų | 75.9 | 56% | 0.561 | 40% | 0.403 | S | S | * | . | trans | -85.4 | 76.7 | 168.9 | -73.9 | -28.2 | 0 | 0 | 0 | 110.1 | E636 G640 | E636-N638 PolarHBondContact O-N 3.23Å; N638-G640 PolarHBondContact O-N 2.94Å | ||
| 639 | F | 53.7 | Low | 56.4 | Low | 78 Ų | 78 | 79.8 Ų | 79.8 | 34% | 0.342 | 42% | 0.423 | S | S | . | . | trans | -74.6 | 2.2 | 166.6 | -66.2 | -67.5 | 0 | 0 | 0 | 113.1 | V568 K572 L626 L637 | V568-F639 HydrophobicContact CG1-CB 4.2Å; V568-F639 HydrophobicContact CG1-CD2 3.88Å; K572-F639 HydrophobicContact CG-CD2 4.46Å; L626-F639 HydrophobicContact CD2-CE1 4.33Å; L626-F639 HydrophobicContact CD2-CE2 4.07Å; L626-F639 HydrophobicContact CD2-CZ 3.78Å; L637-F639 VanDerWaalsContact C-N 3.35Å; L637-F639 HydrophobicContact CB-CD2 4.22Å; L637-F639 HydrophobicContact CB-CE2 4.04Å; L637-F639 HydrophobicContact CD1-CE2 4.23Å; L637-F639 HydrophobicContact CD2-CE2 3.64Å; L637-F639 HydrophobicContact CD2-CZ 3.8Å; L637-F639 HydrophobicContact CG-CE2 4.2Å; L637-F639 PolarHBondContact O-N 3.44Å | ||
| 640 | G | 40.5 | Very low | 54.5 | Low | 65 Ų | 65 | 86.9 Ų | 86.9 | 67% | 0.67 | 45% | 0.445 | S | S | * | . | trans | -118.2 | 67.2 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114 | N638 | N638-G640 PolarHBondContact O-N 2.94Š| ||
| 641 | I | 34.8 | Very low | 52.2 | Low | 149 Ų | 149 | 93.5 Ų | 93.5 | 76% | 0.764 | 47% | 0.47 | S | S | * | . | trans | -135.7 | 106 | 142.6 | -58.8 | 179.5 | 0 | 0 | 0 | 105.2 | P643 | I641-P643 WeakPolarHBondContact O-CD 3.2Š| ||
| 642 | L | 34.7 | Very low | 50.1 | Low | 152 Ų | 152 | 96.9 Ų | 96.9 | 80% | 0.796 | 49% | 0.49 | S | S | * | . | trans | -50.4 | 109 | 162.9 | -76.1 | 152.4 | 0 | 0 | 0 | 107.3 | ||||
| 643 | P | 30.9 | Very low | 48.3 | Very low | 44 Ų | 44 | 99 Ų | 99 | 29% | 0.286 | 50% | 0.504 | S | S | . | . | trans | -71.3 | 147.4 | 157.6 | 11.6 | 6.6 | 0 | 0 | 0 | 105.8 | I641 K647 | I641-P643 WeakPolarHBondContact O-CD 3.2Å; P643-K647 HydrophobicContact CB-CB 4.07Å; P643-K647 HydrophobicContact CB-CD 4.16Å; P643-K647 HydrophobicContact CG-CB 4.42Å | ||
| 644 | D | 36.7 | Very low | 46.7 | Very low | 123 Ų | 123 | 100.6 Ų | 100.6 | 66% | 0.658 | 51% | 0.512 | S | S | * | . | trans | -26.1 | 140.9 | 177.6 | -89.2 | -46.9 | 0 | 0 | 0 | 114.3 | I646 K647 | D644-I646 PolarHBondContact O-N 3.01Å; D644-K647 PolarHBondContact O-N 3.28Å | ||
| 645 | P | 44 | Very low | 45.4 | Very low | 95 Ų | 95 | 98 Ų | 98 | 62% | 0.617 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -46.1 | -27.1 | -175.4 | 14.7 | -29 | 0 | 0 | 0 | 114.2 | A648 M649 | P645-A648 PolarHBondContact O-N 2.87Å; P645-M649 WeakPolarHBondContact O-CG 3.48Å; P645-M649 PolarHBondContact O-N 3.37Å |
| 646 | I | 45.7 | Very low | 43.9 | Very low | 89 Ų | 89 | 94.9 Ų | 94.9 | 46% | 0.456 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.5 | -40.6 | 176.3 | -54.8 | 173.3 | 0 | 0 | 0 | 113.6 | D644 T710 | D644-I646 PolarHBondContact O-N 3.01Å; I646-T710 HydrophobicContact CD1-CG2 4.45Å |
| 647 | K | 39 | Very low | 43 | Very low | 134 Ų | 134 | 98.3 Ų | 98.3 | 58% | 0.583 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -80.9 | -27 | 177.7 | -77.5 | -178.7 | -179.1 | 174.8 | 0 | 112.1 | P643 D644 R651 | P643-K647 HydrophobicContact CB-CB 4.07Å; P643-K647 HydrophobicContact CB-CD 4.16Å; P643-K647 HydrophobicContact CG-CB 4.42Å; D644-K647 PolarHBondContact O-N 3.28Å; K647-R651 WeakPolarHBondContact O-CG 3.27Å; K647-R651 PolarHBondContact O-N 3.42Å |
| 648 | A | 43 | Very low | 42.6 | Very low | 16 Ų | 16 | 104.9 Ų | 104.9 | 13% | 0.132 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -66.5 | -40.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P645 R651 V652 | P645-A648 PolarHBondContact O-N 2.87Å; A648-R651 PolarHBondContact O-N 3.13Å; A648-V652 PolarHBondContact O-N 2.86Å |
| 649 | M | 40.3 | Very low | 42.3 | Very low | 99 Ų | 99 | 100.5 Ų | 100.5 | 49% | 0.488 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.1 | -37.5 | 179.1 | -73.3 | -179.7 | 67.9 | 0 | 0 | 113.6 | P645 R651 V652 | P645-M649 WeakPolarHBondContact O-CG 3.48Å; P645-M649 PolarHBondContact O-N 3.37Å; M649-R651 PolarHBondContact O-N 3.25Å; M649-V652 WeakPolarHBondContact O-CG2 3.32Å; M649-V652 PolarHBondContact O-N 3.24Å |
| 650 | R | 44.2 | Very low | 42.1 | Very low | 189 Ų | 189 | 108.9 Ų | 108.9 | 71% | 0.713 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -69.6 | -18.7 | 175.6 | -71.2 | -172.6 | -179.5 | -173.1 | -0.1 | 113.1 | ||
| 651 | R | 39.3 | Very low | 42.7 | Very low | 140 Ų | 140 | 107.7 Ų | 107.7 | 53% | 0.528 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 4.5 | 176.5 | -66.4 | -176.9 | -174.2 | -173.8 | 1.3 | 113.1 | K647 A648 M649 V654 R655 | K647-R651 WeakPolarHBondContact O-CG 3.27Å; K647-R651 PolarHBondContact O-N 3.42Å; A648-R651 PolarHBondContact O-N 3.13Å; M649-R651 PolarHBondContact O-N 3.25Å; R651-V654 HydrophobicContact CB-CB 4.32Å; R651-V654 CarbonylContact O-C 3.49Å; R651-V654 WeakPolarHBondContact O-CA 3.45Å; R651-V654 PolarHBondContact O-N 3.1Å; R651-V654 VanDerWaalsContact O-N 3.08Å; R651-R655 WeakPolarHBondContact O-CB 3.17Å; R651-R655 WeakPolarHBondContact O-CG 3.38Å; R651-R655 PolarHBondContact O-N 3.26Å |
| 652 | V | 44.3 | Very low | 43.8 | Very low | 71 Ų | 71 | 104.6 Ų | 104.6 | 43% | 0.43 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -56.9 | -45.7 | 174.4 | 174 | 0 | 0 | 0 | 0 | 111.4 | A648 M649 V654 R655 L656 | A648-V652 PolarHBondContact O-N 2.86Å; M649-V652 WeakPolarHBondContact O-CG2 3.32Å; M649-V652 PolarHBondContact O-N 3.24Å; V652-V654 VanDerWaalsContact C-N 3.31Å; V652-V654 PolarHBondContact O-N 3.13Å; V652-R655 PolarHBondContact O-N 3.23Å; V652-L656 HydrophobicContact CG1-CD1 4Å; V652-L656 VanDerWaalsContact O-CG 3.26Å; V652-L656 WeakPolarHBondContact O-CG 3.31Å; V652-L656 PolarHBondContact O-N 2.81Å |
| 653 | P | 43.5 | Very low | 45 | Very low | 75 Ų | 75 | 100.8 Ų | 100.8 | 49% | 0.487 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.2 | -39.5 | 172.6 | -21.6 | 33.2 | 0 | 0 | 0 | 112.6 | L656 Q657 | P653-L656 PolarHBondContact O-N 3.36Å; P653-Q657 WeakPolarHBondContact O-CG 3.44Å; P653-Q657 PolarHBondContact O-N 3.21Å |
| 654 | V | 45.7 | Very low | 46.6 | Very low | 62 Ų | 62 | 102.9 Ų | 102.9 | 38% | 0.376 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.4 | -33.6 | 179.7 | -177.7 | 0 | 0 | 0 | 0 | 111.9 | R651 V652 Q657 R658 | R651-V654 HydrophobicContact CB-CB 4.32Å; R651-V654 CarbonylContact O-C 3.49Å; R651-V654 WeakPolarHBondContact O-CA 3.45Å; R651-V654 PolarHBondContact O-N 3.1Å; R651-V654 VanDerWaalsContact O-N 3.08Å; V652-V654 VanDerWaalsContact C-N 3.31Å; V652-V654 PolarHBondContact O-N 3.13Å; V654-Q657 PolarHBondContact O-N 3.09Å; V654-R658 PolarHBondContact O-N 3.15Å |
| 655 | R | 43.8 | Very low | 48 | Very low | 110 Ų | 110 | 99.3 Ų | 99.3 | 42% | 0.415 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -72.2 | -33.5 | 173.9 | -78.6 | -173.8 | 173.2 | 160.7 | -1.8 | 111.9 | R651 V652 Q657 | R651-R655 WeakPolarHBondContact O-CB 3.17Å; R651-R655 WeakPolarHBondContact O-CG 3.38Å; R651-R655 PolarHBondContact O-N 3.26Å; V652-R655 PolarHBondContact O-N 3.23Å; R655-Q657 VanDerWaalsContact C-N 3.31Å |
| 656 | L | 40.5 | Very low | 48.9 | Very low | 97 Ų | 97 | 98.3 Ų | 98.3 | 51% | 0.508 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -72.9 | -23.4 | 172.5 | -68.1 | 168.6 | 0 | 0 | 0 | 112.4 | V652 P653 Q662 | V652-L656 HydrophobicContact CG1-CD1 4Å; V652-L656 VanDerWaalsContact O-CG 3.26Å; V652-L656 WeakPolarHBondContact O-CG 3.31Å; V652-L656 PolarHBondContact O-N 2.81Å; P653-L656 PolarHBondContact O-N 3.36Å; L656-Q662 HydrophobicContact CD2-CG 4.36Å |
| 657 | Q | 45.8 | Very low | 50 | Low | 158 Ų | 158 | 99.7 Ų | 99.7 | 74% | 0.738 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -85.6 | -32.6 | 179.1 | -80.3 | 179.8 | -8.2 | 0 | 0 | 114.5 | P653 V654 R655 | P653-Q657 WeakPolarHBondContact O-CG 3.44Å; P653-Q657 PolarHBondContact O-N 3.21Å; V654-Q657 PolarHBondContact O-N 3.09Å; R655-Q657 VanDerWaalsContact C-N 3.31Å |
| 658 | R | 49.7 | Very low | 51.4 | Low | 152 Ų | 152 | 98.2 Ų | 98.2 | 57% | 0.574 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -71.2 | -32.4 | -172.6 | -82.3 | -171.4 | -179 | -176 | -4.8 | 114.7 | V654 | V654-R658 PolarHBondContact O-N 3.15Å |
| 659 | E | 48 | Very low | 52.5 | Low | 13 Ų | 13 | 103.6 Ų | 103.6 | 6% | 0.061 | 50% | 0.498 | C | S | . | . | S | Bend | trans | -129.4 | 131.4 | 168.2 | -76.4 | -147.6 | 146.6 | 0 | 0 | 110.4 | F576 H577 S624 E625 L626 G661 | F576-E659 VanDerWaalsContact CB-OE2 3.27Å; F576-E659 WeakPolarHBondContact CB-OE2 3.49Å; F576-E659 HydrophobicContact CD1-CB 3.77Å; F576-E659 HydrophobicContact CE1-CB 4.16Å; F576-E659 HydrophobicContact CG-CB 4.3Å; H577-E659 IonicContact CD2-OE2 2.76Å; H577-E659 IonicContact CE1-OE2 3.97Å; H577-E659 IonicContact NE2-OE1 3.2Å; H577-E659 IonicContact NE2-OE2 2.82Å; H577-E659 PolarHBondContact NE2-OE2 3.25Å; S624-E659 PolarHBondContact OG-OE1 2.98Å; E625-E659 PolarHBondContact N-OE1 3.4Å; L626-E659 HydrophobicContact CG-CG 4.4Å; E659-G661 PolarHBondContact O-N 2.93Å; E659-G661 VanDerWaalsContact O-N 3.1Å |
| 660 | R | 49.5 | Very low | 53.7 | Low | 253 Ų | 253 | 103.7 Ų | 103.7 | 96% | 0.955 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -68.7 | 104.6 | 167.2 | -81 | -174.8 | 171.9 | 173.8 | -2.2 | 107.9 | ||
| 661 | G | 52.6 | Low | 54.6 | Low | 40 Ų | 40 | 98.4 Ų | 98.4 | 41% | 0.412 | 49% | 0.486 | S | S | . | . | trans | 121.1 | 117 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | F576 E659 | F576-G661 WeakPolarHBondContact CD1-O 3.33Å; F576-G661 CarbonylContact O-C 3.27Å; E659-G661 PolarHBondContact O-N 2.93Å; E659-G661 VanDerWaalsContact O-N 3.1Å | ||
| 662 | Q | 59.4 | Low | 55.8 | Low | 84 Ų | 84 | 94.8 Ų | 94.8 | 39% | 0.393 | 48% | 0.48 | S | S | . | . | trans | -108.9 | 143.6 | 155.1 | -79.8 | -172 | -10.1 | 0 | 0 | 107.4 | F576 L656 L664 | F576-Q662 HydrophobicContact CD1-CG 4.35Å; F576-Q662 CarbonylContact O-C 3.59Å; F576-Q662 WeakPolarHBondContact O-CA 3.47Å; L656-Q662 HydrophobicContact CD2-CG 4.36Å; Q662-L664 VanDerWaalsContact C-N 3.31Å; Q662-L664 HydrophobicContact CB-CD2 4.15Å; Q662-L664 HydrophobicContact CB-CG 4.46Å; Q662-L664 PolarHBondContact O-N 3.26Å | ||
| 663 | N | 59.4 | Low | 56.6 | Low | 73 Ų | 73 | 96 Ų | 96 | 39% | 0.39 | 48% | 0.483 | S | S | . | . | trans | -72.7 | 90.4 | 165.7 | -174.3 | -3.6 | 0 | 0 | 0 | 109.4 | F576 G578 A665 | F576-N663 PolarHBondContact O-N 2.98Å; G578-N663 WeakPolarHBondContact CA-ND2 3.44Å; N663-A665 PolarHBondContact O-N 3.12Å; N663-A665 WeakPolarHBondContact OD1-CB 3.16Å; N663-A665 PolarHBondContact OD1-N 2.97Å; N663-A665 VanDerWaalsContact OD1-N 3.12Å | ||
| 664 | L | 64.7 | Low | 57.3 | Low | 88 Ų | 88 | 96.3 Ų | 96.3 | 46% | 0.461 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -5.4 | 179.8 | -64.8 | 176.7 | 0 | 0 | 0 | 113.2 | Q662 S666 F667 M668 | Q662-L664 VanDerWaalsContact C-N 3.31Å; Q662-L664 HydrophobicContact CB-CD2 4.15Å; Q662-L664 HydrophobicContact CB-CG 4.46Å; Q662-L664 PolarHBondContact O-N 3.26Å; L664-S666 VanDerWaalsContact C-N 3.29Å; L664-S666 PolarHBondContact O-N 3.08Å; L664-F667 CarbonylContact O-C 3.57Å; L664-F667 WeakPolarHBondContact O-CB 3.2Å; L664-F667 PolarHBondContact O-N 3.29Å; L664-M668 HydrophobicContact CB-CG 4.21Å; L664-M668 WeakPolarHBondContact O-CB 3.39Å; L664-M668 VanDerWaalsContact O-CG 3.3Å; L664-M668 WeakPolarHBondContact O-CG 3.35Å; L664-M668 PolarHBondContact O-N 2.69Å |
| 665 | A | 66 | Low | 57.7 | Low | 48 Ų | 48 | 96.1 Ų | 96.1 | 40% | 0.397 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -56 | -44.1 | -175 | 0 | 0 | 0 | 0 | 0 | 112.2 | N663 M668 Q669 | N663-A665 PolarHBondContact O-N 3.12Å; N663-A665 WeakPolarHBondContact OD1-CB 3.16Å; N663-A665 PolarHBondContact OD1-N 2.97Å; N663-A665 VanDerWaalsContact OD1-N 3.12Å; A665-M668 PolarHBondContact O-N 2.9Å; A665-Q669 WeakPolarHBondContact O-CB 3.31Å; A665-Q669 VanDerWaalsContact O-CG 3.27Å; A665-Q669 WeakPolarHBondContact O-CG 3.5Å; A665-Q669 PolarHBondContact O-N 2.88Å |
| 666 | S | 63.6 | Low | 58.1 | Low | 73 Ų | 73 | 93.6 Ų | 93.6 | 51% | 0.51 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65 | -39.9 | 176.8 | 62.7 | 0 | 0 | 0 | 0 | 112.8 | L664 N670 | L664-S666 VanDerWaalsContact C-N 3.29Å; L664-S666 PolarHBondContact O-N 3.08Å; S666-N670 WeakPolarHBondContact O-CB 3.27Å; S666-N670 VanDerWaalsContact O-CG 3.24Å; S666-N670 PolarHBondContact O-N 3.11Å; S666-N670 PolarHBondContact O-ND2 3.28Å; S666-N670 VanDerWaalsContact O-ND2 3.13Å |
| 667 | F | 67.5 | Low | 58.5 | Low | 118 Ų | 118 | 94.9 Ų | 94.9 | 52% | 0.518 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.4 | -46.8 | 175.5 | 172.2 | -97.3 | 0 | 0 | 0 | 111.4 | L664 N670 L671 | L664-F667 CarbonylContact O-C 3.57Å; L664-F667 WeakPolarHBondContact O-CB 3.2Å; L664-F667 PolarHBondContact O-N 3.29Å; F667-N670 PolarHBondContact O-N 3.17Å; F667-L671 HydrophobicContact CE1-CD1 3.83Å; F667-L671 HydrophobicContact CZ-CD1 3.78Å; F667-L671 WeakPolarHBondContact O-CB 3.47Å; F667-L671 PolarHBondContact O-N 3.36Å |
| 668 | M | 68.8 | Low | 58.3 | Low | 104 Ų | 104 | 92.9 Ų | 92.9 | 51% | 0.512 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 179.3 | -66.2 | -65.8 | -79.7 | 0 | 0 | 111.2 | L664 A665 L671 V672 | L664-M668 HydrophobicContact CB-CG 4.21Å; L664-M668 WeakPolarHBondContact O-CB 3.39Å; L664-M668 VanDerWaalsContact O-CG 3.3Å; L664-M668 WeakPolarHBondContact O-CG 3.35Å; L664-M668 PolarHBondContact O-N 2.69Å; A665-M668 PolarHBondContact O-N 2.9Å; M668-L671 PolarHBondContact O-N 3.4Å; M668-V672 WeakPolarHBondContact O-CB 3.35Å; M668-V672 VanDerWaalsContact O-CG2 3.29Å; M668-V672 WeakPolarHBondContact O-CG2 3.36Å; M668-V672 PolarHBondContact O-N 2.98Å |
| 669 | Q | 66.1 | Low | 57.7 | Low | 129 Ų | 129 | 88.1 Ų | 88.1 | 60% | 0.603 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -60.7 | -46.2 | 173.4 | -76.8 | 176.7 | -0.8 | 0 | 0 | 111.5 | A665 L671 V672 L673 | A665-Q669 WeakPolarHBondContact O-CB 3.31Å; A665-Q669 VanDerWaalsContact O-CG 3.27Å; A665-Q669 WeakPolarHBondContact O-CG 3.5Å; A665-Q669 PolarHBondContact O-N 2.88Å; Q669-L671 VanDerWaalsContact C-N 3.31Å; Q669-L671 PolarHBondContact O-N 3.21Å; Q669-V672 PolarHBondContact O-N 3.13Å; Q669-L673 WeakPolarHBondContact O-CB 3.49Å; Q669-L673 WeakPolarHBondContact O-CG 3.46Å; Q669-L673 PolarHBondContact O-N 2.66Å |
| 670 | N | 64.6 | Low | 57.1 | Low | 100 Ų | 100 | 92.6 Ų | 92.6 | 54% | 0.535 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.2 | -39.2 | 175.8 | -74.6 | -30 | 0 | 0 | 0 | 112 | S666 F667 L673 C674 | S666-N670 WeakPolarHBondContact O-CB 3.27Å; S666-N670 VanDerWaalsContact O-CG 3.24Å; S666-N670 PolarHBondContact O-N 3.11Å; S666-N670 PolarHBondContact O-ND2 3.28Å; S666-N670 VanDerWaalsContact O-ND2 3.13Å; F667-N670 PolarHBondContact O-N 3.17Å; N670-L673 PolarHBondContact O-N 3.4Å; N670-C674 PolarHBondContact O-N 3.21Å; N670-C674 PolarHBondContact O-SG 2.79Å |
| 671 | L | 63.8 | Low | 56.4 | Low | 78 Ų | 78 | 90.3 Ų | 90.3 | 41% | 0.408 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.5 | -45.5 | 177.8 | -170.3 | 147.2 | 0 | 0 | 0 | 111 | F667 M668 Q669 C674 C675 | F667-L671 HydrophobicContact CE1-CD1 3.83Å; F667-L671 HydrophobicContact CZ-CD1 3.78Å; F667-L671 WeakPolarHBondContact O-CB 3.47Å; F667-L671 PolarHBondContact O-N 3.36Å; M668-L671 PolarHBondContact O-N 3.4Å; Q669-L671 VanDerWaalsContact C-N 3.31Å; Q669-L671 PolarHBondContact O-N 3.21Å; L671-C674 WeakPolarHBondContact O-CB 3.36Å; L671-C674 PolarHBondContact O-N 2.88Å; L671-C674 VanDerWaalsContact O-N 3.16Å; L671-C675 PolarHBondContact O-N 3.41Å; L671-C675 VanDerWaalsContact O-N 3.08Å; L671-C675 PolarHBondContact O-SG 3.25Å |
| 672 | V | 64 | Low | 55.2 | Low | 64 Ų | 64 | 96.9 Ų | 96.9 | 39% | 0.388 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 175.1 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | F438 M668 Q669 C674 C675 T676 | F438-V672 HydrophobicContact CE1-CG1 4.29Å; M668-V672 WeakPolarHBondContact O-CB 3.35Å; M668-V672 VanDerWaalsContact O-CG2 3.29Å; M668-V672 WeakPolarHBondContact O-CG2 3.36Å; M668-V672 PolarHBondContact O-N 2.98Å; Q669-V672 PolarHBondContact O-N 3.13Å; V672-C674 VanDerWaalsContact C-N 3.27Å; V672-C674 PolarHBondContact O-N 2.97Å; V672-C675 CarbonylContact O-C 3.43Å; V672-C675 PolarHBondContact O-N 3.23Å; V672-T676 HydrophobicContact CG1-CG2 4.24Å; V672-T676 WeakPolarHBondContact O-CG2 3.44Å; V672-T676 PolarHBondContact O-N 2.92Å; V672-T676 PolarHBondContact O-OG1 3.46Å |
| 673 | L | 62.6 | Low | 53.6 | Low | 96 Ų | 96 | 98.4 Ų | 98.4 | 50% | 0.503 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62 | -35 | 174.6 | -72.8 | 169.4 | 0 | 0 | 0 | 111.9 | Q669 N670 C675 T676 S679 | Q669-L673 WeakPolarHBondContact O-CB 3.49Å; Q669-L673 WeakPolarHBondContact O-CG 3.46Å; Q669-L673 PolarHBondContact O-N 2.66Å; N670-L673 PolarHBondContact O-N 3.4Å; L673-C675 VanDerWaalsContact C-N 3.28Å; L673-C675 PolarHBondContact O-N 2.85Å; L673-T676 PolarHBondContact O-OG1 3.33Å; L673-S679 WeakPolarHBondContact O-CB 3.44Å |
| 674 | C | 57.1 | Low | 52.1 | Low | 83 Ų | 83 | 99.1 Ų | 99.1 | 56% | 0.561 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -70.2 | -25 | 173.5 | -66.5 | 0 | 0 | 0 | 0 | 113.2 | N670 L671 V672 | N670-C674 PolarHBondContact O-N 3.21Å; N670-C674 PolarHBondContact O-SG 2.79Å; L671-C674 WeakPolarHBondContact O-CB 3.36Å; L671-C674 PolarHBondContact O-N 2.88Å; L671-C674 VanDerWaalsContact O-N 3.16Å; V672-C674 VanDerWaalsContact C-N 3.27Å; V672-C674 PolarHBondContact O-N 2.97Å |
| 675 | C | 55.1 | Low | 50.4 | Low | 57 Ų | 57 | 99.5 Ų | 99.5 | 39% | 0.385 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -91.7 | -14.6 | -179.5 | -66.4 | 0 | 0 | 0 | 0 | 113.9 | L671 V672 L673 | L671-C675 PolarHBondContact O-N 3.41Å; L671-C675 VanDerWaalsContact O-N 3.08Å; L671-C675 PolarHBondContact O-SG 3.25Å; V672-C675 CarbonylContact O-C 3.43Å; V672-C675 PolarHBondContact O-N 3.23Å; L673-C675 VanDerWaalsContact C-N 3.28Å; L673-C675 PolarHBondContact O-N 2.85Å |
| 676 | T | 51.5 | Low | 48.4 | Very low | 58 Ų | 58 | 109.7 Ų | 109.7 | 36% | 0.356 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -98.7 | 146 | -178.6 | 48.1 | 0 | 0 | 0 | 0 | 111.6 | V672 L673 D678 | V672-T676 HydrophobicContact CG1-CG2 4.24Å; V672-T676 WeakPolarHBondContact O-CG2 3.44Å; V672-T676 PolarHBondContact O-N 2.92Å; V672-T676 PolarHBondContact O-OG1 3.46Å; L673-T676 PolarHBondContact O-OG1 3.33Å; T676-D678 PolarHBondContact O-N 2.92Å |
| 677 | F | 49.4 | Very low | 46.8 | Very low | 123 Ų | 123 | 110.7 Ų | 110.7 | 54% | 0.539 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58.2 | -17.3 | -164.2 | -71.7 | -91.1 | 0 | 0 | 0 | 116.4 | E222 W223 | E222-F677 VanDerWaalsContact O-CZ 3.31Å; E222-F677 WeakPolarHBondContact O-CZ 3.11Å; W223-F677 WeakPolarHBondContact O-CE1 3.16Å; W223-F677 WeakPolarHBondContact O-CZ 3.29Å |
| 678 | D | 41.5 | Very low | 44.8 | Very low | 116 Ų | 116 | 114.7 Ų | 114.7 | 62% | 0.62 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | 4.4 | -167.2 | -90.6 | -32 | 0 | 0 | 0 | 116.7 | T676 I680 | T676-D678 PolarHBondContact O-N 2.92Å; D678-I680 VanDerWaalsContact C-N 3.35Å; D678-I680 PolarHBondContact O-N 3.42Å |
| 679 | S | 36.4 | Very low | 42.6 | Very low | 53 Ų | 53 | 113.2 Ų | 113.2 | 37% | 0.371 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -71.3 | -18.5 | -173.4 | 172.9 | 0 | 0 | 0 | 0 | 115.7 | L673 | L673-S679 WeakPolarHBondContact O-CB 3.44Å |
| 680 | I | 36.3 | Very low | 40.7 | Very low | 106 Ų | 106 | 113 Ų | 113 | 54% | 0.544 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -88 | -17.6 | -178 | -57.9 | 179.2 | 0 | 0 | 0 | 113.2 | D678 H682 | D678-I680 VanDerWaalsContact C-N 3.35Å; D678-I680 PolarHBondContact O-N 3.42Å; I680-H682 VanDerWaalsContact C-N 3.28Å; I680-H682 PolarHBondContact O-N 3.4Å |
| 681 | R | 33.4 | Very low | 38.7 | Very low | 206 Ų | 206 | 116.5 Ų | 116.5 | 78% | 0.777 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -72 | -22.2 | 174.4 | -74.4 | -172.2 | 178.9 | -175.8 | 3.8 | 113.3 | ||
| 682 | H | 27.8 | Very low | 36.7 | Very low | 177 Ų | 177 | 119.6 Ų | 119.6 | 82% | 0.819 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -91.9 | -17.5 | -177.7 | -88.2 | -78.6 | 0 | 0 | 0 | 115.6 | I680 | I680-H682 VanDerWaalsContact C-N 3.28Å; I680-H682 PolarHBondContact O-N 3.4Å |
| 683 | C | 26.7 | Very low | 34.8 | Very low | 116 Ų | 116 | 122.1 Ų | 122.1 | 78% | 0.784 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -90.2 | -8.9 | 170.1 | -76.9 | 0 | 0 | 0 | 0 | 113.5 | V685 | C683-V685 VanDerWaalsContact C-N 3.31Å; C683-V685 PolarHBondContact O-N 3.41Å |
| 684 | S | 27.4 | Very low | 33 | Very low | 88 Ų | 88 | 123.4 Ų | 123.4 | 62% | 0.615 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -75.6 | 83.3 | 167.2 | 167.1 | 0 | 0 | 0 | 0 | 110.4 | R686 | S684-R686 PolarHBondContact O-N 2.8Š|
| 685 | V | 29.5 | Very low | 31.3 | Very low | 97 Ų | 97 | 127.9 Ų | 127.9 | 59% | 0.588 | 69% | 0.693 | S | S | * | * | trans | 35.5 | 91.9 | 139.9 | -175.4 | 0 | 0 | 0 | 0 | 114.8 | C683 S687 | C683-V685 VanDerWaalsContact C-N 3.31Å; C683-V685 PolarHBondContact O-N 3.41Å; V685-S687 VanDerWaalsContact CG1-CB 3.43Å; V685-S687 PolarHBondContact O-N 3.23Å | ||
| 686 | R | 24 | Very low | 30 | Very low | 261 Ų | 261 | 130.9 Ų | 130.9 | 99% | 0.985 | 71% | 0.714 | S | S | * | * | trans | -65.4 | 74.1 | 152.3 | -176.5 | 174 | 173.9 | 161.4 | -2.3 | 108.5 | S684 | S684-R686 PolarHBondContact O-N 2.8Š| ||
| 687 | S | 28.5 | Very low | 28.7 | Very low | 94 Ų | 94 | 135.2 Ų | 135.2 | 66% | 0.657 | 73% | 0.731 | S | S | * | * | trans | -112.2 | 114.3 | 163.8 | -167.8 | 0 | 0 | 0 | 0 | 108.8 | V685 | V685-S687 VanDerWaalsContact CG1-CB 3.43Å; V685-S687 PolarHBondContact O-N 3.23Å | ||
| 688 | K | 26.4 | Very low | 27.3 | Very low | 203 Ų | 203 | 137.2 Ų | 137.2 | 88% | 0.883 | 74% | 0.739 | S | S | * | * | trans | -60.7 | 132.7 | 168.5 | -80.2 | 171.4 | 165.4 | 176.6 | 0 | 109.3 | ||||
| 689 | G | 23.7 | Very low | 26.5 | Very low | 73 Ų | 73 | 142.8 Ų | 142.8 | 75% | 0.753 | 75% | 0.752 | S | S | * | * | trans | 111.2 | 115.7 | 143.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 690 | S | 24.3 | Very low | 25.8 | Very low | 123 Ų | 123 | 145.7 Ų | 145.7 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | trans | 71.3 | 114.1 | 152.4 | -145 | 0 | 0 | 0 | 0 | 119.7 | D692 | S690-D692 PolarHBondContact O-N 2.83Š| ||
| 691 | M | 22.4 | Very low | 25.3 | Very low | 174 Ų | 174 | 147.7 Ų | 147.7 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | trans | -48.3 | 117.7 | 154.8 | -135.3 | 150.3 | 77.7 | 0 | 0 | 109.7 | ||||
| 692 | D | 22 | Very low | 24.8 | Very low | 143 Ų | 143 | 145.6 Ų | 145.6 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | trans | 176.9 | 112.1 | 140.4 | -88.6 | -17 | 0 | 0 | 0 | 109.6 | S690 V694 | S690-D692 PolarHBondContact O-N 2.83Å; D692-V694 PolarHBondContact O-N 2.83Å | ||
| 693 | S | 25.9 | Very low | 24.6 | Very low | 117 Ų | 117 | 142.3 Ų | 142.3 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | 19.9 | 91.4 | 153.1 | 60.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 694 | V | 23.3 | Very low | 24.5 | Very low | 123 Ų | 123 | 141.6 Ų | 141.6 | 75% | 0.745 | 76% | 0.763 | S | S | * | * | trans | -148.6 | 120.4 | 152.7 | 179 | 0 | 0 | 0 | 0 | 110.2 | D692 | D692-V694 PolarHBondContact O-N 2.83Š| ||
| 695 | Q | 22.4 | Very low | 24.3 | Very low | 177 Ų | 177 | 143 Ų | 143 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | trans | 22.7 | 110.4 | 149.4 | -67.8 | 168 | -17.8 | 0 | 0 | 117.4 | E697 | Q695-E697 PolarHBondContact O-N 2.9Š| ||
| 696 | S | 27.6 | Very low | 24.1 | Very low | 120 Ų | 120 | 143.9 Ų | 143.9 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | trans | -32.2 | 120 | 156.4 | -174.1 | 0 | 0 | 0 | 0 | 111.3 | K698 | S696-K698 PolarHBondContact O-N 3.31Š| ||
| 697 | E | 23.4 | Very low | 24.1 | Very low | 150 Ų | 150 | 136.5 Ų | 136.5 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | -49.4 | 103.6 | -175.6 | -69.2 | 175.9 | 144.1 | 0 | 0 | 110.8 | Q695 W699 | Q695-E697 PolarHBondContact O-N 2.9Å; E697-W699 PolarHBondContact O-N 3.48Å | ||
| 698 | K | 21.4 | Very low | 24 | Very low | 164 Ų | 164 | 137.2 Ų | 137.2 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | trans | -63.1 | 99.9 | 169.8 | -167.7 | 177.3 | 170 | -164.9 | 0 | 107.1 | S696 Q700 | S696-K698 PolarHBondContact O-N 3.31Å; K698-Q700 HydrophobicContact CB-CG 4.21Å; K698-Q700 HydrophobicContact CD-CG 3.72Å; K698-Q700 VanDerWaalsContact CD-NE2 3.32Å; K698-Q700 VanDerWaalsContact CE-NE2 3.32Å; K698-Q700 HydrophobicContact CG-CG 3.57Å; K698-Q700 PolarHBondContact O-N 2.96Å | ||
| 699 | W | 24.5 | Very low | 23.9 | Very low | 233 Ų | 233 | 132.7 Ų | 132.7 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | trans | -58.8 | 79.1 | 160.2 | -76 | 90.7 | 0 | 0 | 0 | 108.6 | E697 L701 | E697-W699 PolarHBondContact O-N 3.48Å; W699-L701 PolarHBondContact O-N 3.03Å | ||
| 700 | Q | 21.6 | Very low | 24.1 | Very low | 114 Ų | 114 | 133.7 Ų | 133.7 | 53% | 0.533 | 76% | 0.761 | S | S | . | * | trans | -75.4 | 78.7 | 169.8 | -66.1 | -167 | 15.6 | 0 | 0 | 107.8 | K698 H702 | K698-Q700 HydrophobicContact CB-CG 4.21Å; K698-Q700 HydrophobicContact CD-CG 3.72Å; K698-Q700 VanDerWaalsContact CD-NE2 3.32Å; K698-Q700 VanDerWaalsContact CE-NE2 3.32Å; K698-Q700 HydrophobicContact CG-CG 3.57Å; K698-Q700 PolarHBondContact O-N 2.96Å; Q700-H702 VanDerWaalsContact C-N 3.33Å; Q700-H702 PolarHBondContact O-N 3.38Å; Q700-H702 VanDerWaalsContact O-N 3.1Å | ||
| 701 | L | 25.9 | Very low | 24.3 | Very low | 148 Ų | 148 | 133.8 Ų | 133.8 | 78% | 0.775 | 76% | 0.762 | S | S | * | * | trans | -67.1 | 102.7 | 153 | -89.3 | 154.1 | 0 | 0 | 0 | 106.6 | W699 S703 | W699-L701 PolarHBondContact O-N 3.03Å; L701-S703 PolarHBondContact O-N 2.93Å | ||
| 702 | H | 22.1 | Very low | 24.5 | Very low | 163 Ų | 163 | 132.1 Ų | 132.1 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | trans | -55.3 | 88 | 161.8 | -78.7 | -92.4 | 0 | 0 | 0 | 109.1 | Q700 | Q700-H702 VanDerWaalsContact C-N 3.33Å; Q700-H702 PolarHBondContact O-N 3.38Å; Q700-H702 VanDerWaalsContact O-N 3.1Å | ||
| 703 | S | 24.2 | Very low | 25 | Very low | 107 Ų | 107 | 133.4 Ų | 133.4 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | trans | -106.7 | 76.6 | 159.3 | 62.7 | 0 | 0 | 0 | 0 | 107.7 | L701 S705 | L701-S703 PolarHBondContact O-N 2.93Å; S703-S705 PolarHBondContact O-N 3.43Å | ||
| 704 | S | 23.6 | Very low | 25.5 | Very low | 102 Ų | 102 | 136.1 Ų | 136.1 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | -55.2 | 128.6 | 160.6 | -47.2 | 0 | 0 | 0 | 0 | 108.6 | S706 | S704-S706 PolarHBondContact O-N 2.86Š| ||
| 705 | S | 24.5 | Very low | 26.2 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 83% | 0.825 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -32.6 | 114.7 | 170.6 | -41.9 | 0 | 0 | 0 | 0 | 113.7 | S703 | S703-S705 PolarHBondContact O-N 3.43Š|
| 706 | S | 24.2 | Very low | 26.7 | Very low | 114 Ų | 114 | 135.3 Ų | 135.3 | 80% | 0.797 | 73% | 0.732 | S | S | * | * | trans | 176.6 | 105 | 140.7 | -92.9 | 0 | 0 | 0 | 0 | 110.3 | S704 | S704-S706 PolarHBondContact O-N 2.86Š| ||
| 707 | S | 24.8 | Very low | 26.8 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 75% | 0.748 | 73% | 0.727 | S | S | * | * | trans | 45.4 | 112 | 142.8 | -49.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 708 | S | 25.1 | Very low | 27.3 | Very low | 109 Ų | 109 | 135.8 Ų | 135.8 | 76% | 0.762 | 73% | 0.725 | S | S | * | * | trans | 57.9 | 119.6 | 137.2 | 48.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 709 | S | 24.8 | Very low | 28.1 | Very low | 108 Ų | 108 | 130.1 Ų | 130.1 | 76% | 0.755 | 70% | 0.704 | S | S | * | * | trans | 108.3 | 125.3 | 154.3 | -54.2 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 710 | T | 28.4 | Very low | 28.7 | Very low | 93 Ų | 93 | 121.3 Ų | 121.3 | 57% | 0.571 | 67% | 0.674 | S | S | * | * | trans | 87.9 | 65.3 | 166.6 | 66.7 | 0 | 0 | 0 | 0 | 119 | I646 | I646-T710 HydrophobicContact CD1-CG2 4.45Š| ||
| 711 | S | 27.5 | Very low | 29.3 | Very low | 126 Ų | 126 | 123.1 Ų | 123.1 | 88% | 0.881 | 69% | 0.687 | S | S | * | * | trans | -134.4 | 73.1 | 142.8 | -78.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 712 | H | 27.7 | Very low | 30.5 | Very low | 138 Ų | 138 | 117.5 Ų | 117.5 | 64% | 0.639 | 66% | 0.66 | S | S | * | * | trans | -101.9 | 119.7 | 172.4 | -71.2 | -89.7 | 0 | 0 | 0 | 107.9 | ||||
| 713 | R | 32.7 | Very low | 32 | Very low | 170 Ų | 170 | 114.8 Ų | 114.8 | 64% | 0.642 | 65% | 0.649 | S | S | * | * | S | Bend | -171.2 | -4.8 | 124.1 | -109.2 | 176.4 | -177.9 | -149.2 | -4.7 | 120.2 | |||
| 714 | L | 36.9 | Very low | 33.9 | Very low | 174 Ų | 174 | 110 Ų | 110 | 91% | 0.911 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -138.9 | 2 | 174.4 | -75.9 | 170.2 | 0 | 0 | 0 | 116.1 | ||
| 715 | Q | 36.3 | Very low | 36.1 | Very low | 125 Ų | 125 | 106.2 Ų | 106.2 | 58% | 0.584 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -136.7 | 15.1 | -166.4 | -98.9 | -172 | -5.7 | 0 | 0 | 118.7 | T719 | Q715-T719 PolarHBondContact O-OG1 2.9Å; Q715-T719 VanDerWaalsContact O-OG1 3.13Å |
| 716 | R | 33.4 | Very low | 38.6 | Very low | 158 Ų | 158 | 104.7 Ų | 104.7 | 60% | 0.596 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -138.3 | -18.5 | -173.1 | -157.9 | 158.7 | 179.6 | 131.7 | -4.5 | 121.2 | H718 I720 | R716-H718 VanDerWaalsContact C-N 3.31Å; R716-H718 PolarHBondContact O-N 3.18Å; R716-I720 HydrophobicContact CG-CB 3.86Å; R716-I720 HydrophobicContact CG-CD1 3.65Å; R716-I720 HydrophobicContact CG-CG1 3.78Å |
| 717 | N | 29.3 | Very low | 41.4 | Very low | 137 Ų | 137 | 99.4 Ų | 99.4 | 73% | 0.733 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -19.8 | -170.7 | -73.1 | 14.9 | 0 | 0 | 0 | 114.6 | ||
| 718 | H | 34.7 | Very low | 44 | Very low | 144 Ų | 144 | 95.4 Ų | 95.4 | 67% | 0.667 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.7 | -14.2 | 178.3 | -116 | -72.4 | 0 | 0 | 0 | 115.6 | R716 A817 | R716-H718 VanDerWaalsContact C-N 3.31Å; R716-H718 PolarHBondContact O-N 3.18Å; H718-A817 PolarHBondContact CE1-O 2.92Å |
| 719 | T | 38.8 | Very low | 46.1 | Very low | 45 Ų | 45 | 92.3 Ų | 92.3 | 28% | 0.276 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -18.3 | -169.6 | 52 | 0 | 0 | 0 | 0 | 114.6 | Q715 | Q715-T719 PolarHBondContact O-OG1 2.9Å; Q715-T719 VanDerWaalsContact O-OG1 3.13Å |
| 720 | I | 35.9 | Very low | 48.1 | Very low | 47 Ų | 47 | 88.7 Ų | 88.7 | 24% | 0.241 | 47% | 0.469 | C | S | . | . | S | Bend | trans | -108.5 | -12 | -178 | -49.4 | -168.1 | 0 | 0 | 0 | 112.6 | R716 S722 | R716-I720 HydrophobicContact CG-CB 3.86Å; R716-I720 HydrophobicContact CG-CD1 3.65Å; R716-I720 HydrophobicContact CG-CG1 3.78Å; I720-S722 PolarHBondContact O-N 3.39Å |
| 721 | D | 35.4 | Very low | 49.5 | Very low | 153 Ų | 153 | 88.4 Ų | 88.4 | 82% | 0.818 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -89 | 14.5 | 167.5 | -137 | 21.1 | 0 | 0 | 0 | 112.7 | ||
| 722 | S | 49.9 | Very low | 50.7 | Low | 29 Ų | 29 | 87.7 Ų | 87.7 | 20% | 0.203 | 46% | 0.463 | C | S | . | . | S | Bend | trans | -70 | 154.3 | 175.3 | 78.3 | 0 | 0 | 0 | 0 | 111.4 | I720 F724 G725 | I720-S722 PolarHBondContact O-N 3.39Å; S722-F724 PolarHBondContact O-N 3.49Å; S722-G725 PolarHBondContact O-N 3.22Å |
| 723 | M | 54.8 | Low | 51.6 | Low | 107 Ų | 107 | 83.8 Ų | 83.8 | 53% | 0.527 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -40.5 | -25.3 | 172 | -166.5 | -176.4 | -165.9 | 0 | 0 | 114.8 | ||
| 724 | F | 63.1 | Low | 52.1 | Low | 5 Ų | 5 | 83.5 Ų | 83.5 | 2% | 0.022 | 47% | 0.47 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -10.8 | -176.3 | -55.9 | -75.4 | 0 | 0 | 0 | 115.3 | D245 A248 S722 N726 N727 P872 K876 | D245-F724 HydrophobicContact CB-CD2 4.29Å; D245-F724 HydrophobicContact CB-CE2 3.81Å; D245-F724 WeakPolarHBondContact O-CE2 3.41Å; D245-F724 WeakPolarHBondContact OD1-CD2 3.38Å; A248-F724 HydrophobicContact CB-CE1 3.63Å; A248-F724 HydrophobicContact CB-CE2 4.37Å; A248-F724 HydrophobicContact CB-CZ 3.41Å; A248-F724 VanDerWaalsContact CB-CZ 3.41Å; S722-F724 PolarHBondContact O-N 3.49Å; F724-N726 PolarHBondContact O-N 3.41Å; F724-N726 VanDerWaalsContact O-N 3.09Å; F724-N727 PolarHBondContact O-N 2.89Å; F724-P872 HydrophobicContact CE1-CB 3.88Å; F724-K876 HydrophobicContact CB-CD 4.42Å; F724-K876 HydrophobicContact CD1-CD 3.73Å; F724-K876 HydrophobicContact CD2-CD 4.38Å; F724-K876 HydrophobicContact CE1-CB 4.43Å; F724-K876 HydrophobicContact CE1-CD 4.07Å; F724-K876 HydrophobicContact CG-CD 3.91Å |
| 725 | G | 70.2 | Confident | 52.5 | Low | 24 Ų | 24 | 77.7 Ų | 77.7 | 25% | 0.247 | 44% | 0.444 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | -114.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.2 | S722 | S722-G725 PolarHBondContact O-N 3.22Š|
| 726 | N | 77.2 | Confident | 53 | Low | 85 Ų | 85 | 72.8 Ų | 72.8 | 46% | 0.455 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 30.6 | 175.9 | -165.7 | 30 | 0 | 0 | 0 | 113.7 | R198 F724 F728 G729 | R198-N726 PolarHBondContact N-OD1 2.94Å; F724-N726 PolarHBondContact O-N 3.41Å; F724-N726 VanDerWaalsContact O-N 3.09Å; N726-F728 PolarHBondContact O-N 3.01Å; N726-G729 PolarHBondContact O-N 3.01Å |
| 727 | N | 82.5 | Confident | 53.4 | Low | 3 Ų | 3 | 70.7 Ų | 70.7 | 2% | 0.016 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | -119.6 | -173.6 | -60 | -31.2 | 0 | 0 | 0 | 111.4 | A194 V195 S197 E201 F724 R873 K876 | A194-N727 PolarHBondContact O-ND2 2.99Å; V195-N727 HydrophobicContact CG1-CB 4.34Å; V195-N727 WeakPolarHBondContact O-CB 3.33Å; S197-N727 PolarHBondContact O-ND2 3.31Å; E201-N727 PolarHBondContact OE2-ND2 3.08Å; E201-N727 PolarHBondContact OE2-OD1 3.08Å; F724-N727 PolarHBondContact O-N 2.89Å; N727-R873 PolarHBondContact O-NH1 2.85Å; N727-K876 WeakPolarHBondContact OD1-CE 3.38Å; N727-K876 PolarHBondContact OD1-NZ 2.75Å |
| 728 | F | 79.4 | Confident | 54.1 | Low | 23 Ų | 23 | 66.6 Ų | 66.6 | 10% | 0.101 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -20.4 | 177.5 | -66.3 | -21.4 | 0 | 0 | 0 | 114.3 | I184 L191 V195 N726 A730 R873 L874 Y877 | I184-F728 HydrophobicContact CB-CE1 4.46Å; I184-F728 HydrophobicContact CD1-CD1 3.46Å; I184-F728 VanDerWaalsContact CD1-CD1 3.46Å; I184-F728 HydrophobicContact CD1-CE1 3.29Å; I184-F728 HydrophobicContact CD1-CG 4.45Å; I184-F728 HydrophobicContact CD1-CZ 4.2Å; I184-F728 HydrophobicContact CG1-CD1 3.91Å; I184-F728 HydrophobicContact CG1-CE1 3.5Å; I184-F728 VanDerWaalsContact CG1-CE1 3.5Å; I184-F728 HydrophobicContact CG1-CZ 3.91Å; I184-F728 HydrophobicContact CG2-CB 4.07Å; I184-F728 HydrophobicContact CG2-CD1 3.78Å; I184-F728 HydrophobicContact CG2-CD2 3.91Å; I184-F728 HydrophobicContact CG2-CE1 4.08Å; I184-F728 HydrophobicContact CG2-CE2 4.24Å; I184-F728 HydrophobicContact CG2-CG 3.66Å; I184-F728 HydrophobicContact CG2-CZ 4.31Å; L191-F728 HydrophobicContact CD1-CD2 3.97Å; L191-F728 HydrophobicContact CD2-CD2 4.15Å; L191-F728 HydrophobicContact CD2-CE2 3.84Å; V195-F728 HydrophobicContact CB-CD2 3.99Å; V195-F728 HydrophobicContact CB-CE2 3.94Å; V195-F728 HydrophobicContact CG1-CD1 3.98Å; V195-F728 HydrophobicContact CG1-CD2 3.48Å; V195-F728 VanDerWaalsContact CG1-CD2 3.48Å; V195-F728 HydrophobicContact CG1-CE1 3.87Å; V195-F728 HydrophobicContact CG1-CE2 3.31Å; V195-F728 HydrophobicContact CG1-CG 3.82Å; V195-F728 HydrophobicContact CG1-CZ 3.54Å; V195-F728 WeakPolarHBondContact O-CB 3.43Å; V195-F728 PolarHBondContact O-N 3Å; N726-F728 PolarHBondContact O-N 3.01Å; F728-A730 PolarHBondContact O-N 3.18Å; F728-R873 HydrophobicContact CD1-CB 3.92Å; F728-R873 HydrophobicContact CE1-CB 3.42Å; F728-R873 VanDerWaalsContact CE1-CB 3.42Å; F728-L874 HydrophobicContact CZ-CD2 4.41Å; F728-Y877 HydrophobicContact CE2-CG 4.49Å |
| 729 | G | 69 | Low | 54.5 | Low | 44 Ų | 44 | 60.7 Ų | 60.7 | 45% | 0.454 | 39% | 0.388 | S | S | . | . | trans | 63.1 | 24.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114 | C196 N726 | C196-G729 PolarHBondContact O-N 3.29Å; N726-G729 PolarHBondContact O-N 3.01Å | ||
| 730 | A | 67.5 | Low | 54.7 | Low | 32 Ų | 32 | 64 Ų | 64 | 26% | 0.264 | 41% | 0.405 | S | S | . | . | trans | -68.9 | 140.6 | 176 | 0 | 0 | 0 | 0 | 0 | 109.9 | C196 F728 | C196-A730 HydrophobicContact CB-CB 4.36Å; C196-A730 PolarHBondContact O-N 3.36Å; F728-A730 PolarHBondContact O-N 3.18Å | ||
| 731 | A | 57.4 | Low | 55.2 | Low | 88 Ų | 88 | 63.6 Ų | 63.6 | 73% | 0.727 | 41% | 0.405 | S | S | * | . | trans | -57.3 | 147.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | G733 | A731-G733 PolarHBondContact O-N 2.73Š| ||
| 732 | N | 53.4 | Low | 55.9 | Low | 111 Ų | 111 | 65.6 Ų | 65.6 | 59% | 0.594 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -63.1 | 21.9 | 178.6 | -75.3 | -19.2 | 0 | 0 | 0 | 114.5 | N200 | N200-N732 PolarHBondContact ND2-OD1 3.5Š|
| 733 | G | 45.5 | Very low | 56.2 | Low | 55 Ų | 55 | 65.6 Ų | 65.6 | 57% | 0.567 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -74.3 | 133.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | A731 C735 | A731-G733 PolarHBondContact O-N 2.73Å; G733-C735 PolarHBondContact O-N 2.87Å; G733-C735 VanDerWaalsContact O-N 3.07Å |
| 734 | D | 43.9 | Very low | 56.4 | Low | 164 Ų | 164 | 65.6 Ų | 65.6 | 88% | 0.877 | 41% | 0.408 | S | S | * | . | trans | 28.6 | 64.3 | 168.3 | -61 | -12.6 | 0 | 0 | 0 | 115 | G736 | D734-G736 PolarHBondContact O-N 2.79Š| ||
| 735 | C | 44.9 | Very low | 56.4 | Low | 53 Ų | 53 | 67.7 Ų | 67.7 | 36% | 0.358 | 42% | 0.417 | S | S | . | . | trans | -55.4 | 109.3 | 159 | -69.5 | 0 | 0 | 0 | 0 | 106.7 | P193 G733 S737 | P193-C735 HydrophobicContact CB-CB 4.27Å; G733-C735 PolarHBondContact O-N 2.87Å; G733-C735 VanDerWaalsContact O-N 3.07Å; C735-S737 PolarHBondContact O-N 3.42Å | ||
| 736 | G | 46.1 | Very low | 56.2 | Low | 22 Ų | 22 | 78.4 Ų | 78.4 | 23% | 0.227 | 45% | 0.45 | C | S | . | . | trans | -52.4 | 139.2 | 177 | 0 | 0 | 0 | 0 | 0 | 109.7 | D734 L738 | D734-G736 PolarHBondContact O-N 2.79Å; G736-L738 PolarHBondContact O-N 2.84Å | ||
| 737 | S | 41.7 | Very low | 55.8 | Low | 113 Ų | 113 | 79 Ų | 79 | 79% | 0.79 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -38.3 | 132.2 | 160.8 | 169 | 0 | 0 | 0 | 0 | 108.5 | C735 T739 | C735-S737 PolarHBondContact O-N 3.42Å; S737-T739 WeakPolarHBondContact O-CA 3.14Å; S737-T739 PolarHBondContact O-N 3.05Å |
| 738 | L | 44.4 | Very low | 55.1 | Low | 51 Ų | 51 | 79.4 Ų | 79.4 | 27% | 0.267 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -12.8 | 102.2 | 176.8 | -82.9 | 145.2 | 0 | 0 | 0 | 108.3 | G736 D740 V896 I899 | G736-L738 PolarHBondContact O-N 2.84Å; L738-D740 VanDerWaalsContact C-N 3.33Å; L738-D740 PolarHBondContact O-N 3.33Å; L738-V896 WeakPolarHBondContact CD1-O 3.16Å; L738-I899 VanDerWaalsContact CD1-OXT 3.23Å; L738-I899 WeakPolarHBondContact CD1-OXT 3.17Å; L738-I899 WeakPolarHBondContact CD2-OXT 3.47Å |
| 739 | T | 43.9 | Very low | 54.7 | Low | 20 Ų | 20 | 80 Ų | 80 | 12% | 0.123 | 45% | 0.451 | C | S | . | . | trans | -45.8 | 108.8 | -170.5 | 46.9 | 0 | 0 | 0 | 0 | 106.4 | H190 S737 C741 L881 | H190-T739 HydrophobicContact CB-CG2 4.05Å; H190-T739 WeakPolarHBondContact O-CG2 3.35Å; S737-T739 WeakPolarHBondContact O-CA 3.14Å; S737-T739 PolarHBondContact O-N 3.05Å; T739-C741 PolarHBondContact O-N 3.27Å; T739-L881 WeakPolarHBondContact OG1-CD2 3.24Å | ||
| 740 | D | 42.1 | Very low | 55.1 | Low | 116 Ų | 116 | 79.8 Ų | 79.8 | 62% | 0.62 | 44% | 0.439 | S | S | * | . | trans | -71.2 | 77.1 | 176.1 | -154.1 | 12.2 | 0 | 0 | 0 | 102.1 | L738 R742 | L738-D740 VanDerWaalsContact C-N 3.33Å; L738-D740 PolarHBondContact O-N 3.33Å; D740-R742 PolarHBondContact O-N 2.84Å; D740-R742 WeakPolarHBondContact OD1-CG 3.42Å; D740-R742 IonicContact OD1-NE 3.6Å; D740-R742 WeakPolarHBondContact OD2-CD 3.3Å; D740-R742 IonicContact OD2-CZ 3.38Å; D740-R742 IonicContact OD2-NE 2.74Å; D740-R742 PolarHBondContact OD2-NE 3.01Å; D740-R742 IonicContact OD2-NH2 3.51Å | ||
| 741 | C | 46.8 | Very low | 55.4 | Low | 37 Ų | 37 | 78.4 Ų | 78.4 | 25% | 0.25 | 43% | 0.428 | C | S | . | . | trans | -70.3 | 55.5 | 163.5 | -69 | 0 | 0 | 0 | 0 | 104.6 | T739 V743 | T739-C741 PolarHBondContact O-N 3.27Å; C741-V743 WeakPolarHBondContact O-CG2 3.36Å; C741-V743 PolarHBondContact O-N 2.9Å | ||
| 742 | R | 49.9 | Very low | 56.2 | Low | 196 Ų | 196 | 75.1 Ų | 75.1 | 74% | 0.74 | 40% | 0.398 | S | S | * | . | trans | -57.5 | 89.9 | 152.1 | -80.8 | -178 | -165 | -165.3 | 2.4 | 103.9 | D740 P744 | D740-R742 PolarHBondContact O-N 2.84Å; D740-R742 WeakPolarHBondContact OD1-CG 3.42Å; D740-R742 IonicContact OD1-NE 3.6Å; D740-R742 WeakPolarHBondContact OD2-CD 3.3Å; D740-R742 IonicContact OD2-CZ 3.38Å; D740-R742 IonicContact OD2-NE 2.74Å; D740-R742 PolarHBondContact OD2-NE 3.01Å; D740-R742 IonicContact OD2-NH2 3.51Å; R742-P744 VanDerWaalsContact O-CD 3.3Å; R742-P744 WeakPolarHBondContact O-CD 3.28Å; R742-P744 VanDerWaalsContact O-N 3.11Å | ||
| 743 | V | 55.9 | Low | 57.2 | Low | 29 Ų | 29 | 69.9 Ų | 69.9 | 18% | 0.176 | 37% | 0.37 | C | S | . | . | trans | -62.1 | 118.9 | 173.1 | -179.9 | 0 | 0 | 0 | 0 | 104.5 | P155 I156 V159 C741 F745 L751 | P155-V743 HydrophobicContact CB-CB 3.53Å; P155-V743 HydrophobicContact CB-CG1 3.37Å; P155-V743 HydrophobicContact CB-CG2 3.53Å; I156-V743 HydrophobicContact CG1-CG2 4.15Å; V159-V743 HydrophobicContact CG2-CG1 3.68Å; V159-V743 HydrophobicContact CG2-CG2 4.34Å; C741-V743 WeakPolarHBondContact O-CG2 3.36Å; C741-V743 PolarHBondContact O-N 2.9Å; V743-F745 HydrophobicContact CG1-CB 4.37Å; V743-F745 HydrophobicContact CG1-CD2 3.29Å; V743-F745 HydrophobicContact CG1-CE2 3.91Å; V743-F745 HydrophobicContact CG1-CG 4.24Å; V743-F745 PolarHBondContact O-N 3.25Å; V743-L751 HydrophobicContact CG1-CD2 4.14Å | ||
| 744 | P | 58.9 | Low | 58.8 | Low | 107 Ų | 107 | 69.4 Ų | 69.4 | 70% | 0.695 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -72.2 | 12.3 | -166 | 28.4 | -36.3 | 0 | 0 | 0 | 113.3 | R742 | R742-P744 VanDerWaalsContact O-CD 3.3Å; R742-P744 WeakPolarHBondContact O-CD 3.28Å; R742-P744 VanDerWaalsContact O-N 3.11Å |
| 745 | F | 64.7 | Low | 60.6 | Low | 49 Ų | 49 | 61.6 Ų | 61.6 | 22% | 0.215 | 31% | 0.31 | C | S | . | . | trans | -99.5 | 118.7 | -173.6 | -55.6 | -60.9 | 0 | 0 | 0 | 109.7 | V159 V743 D750 L751 Y754 | V159-F745 HydrophobicContact CG2-CE2 3.93Å; V743-F745 HydrophobicContact CG1-CB 4.37Å; V743-F745 HydrophobicContact CG1-CD2 3.29Å; V743-F745 HydrophobicContact CG1-CE2 3.91Å; V743-F745 HydrophobicContact CG1-CG 4.24Å; V743-F745 PolarHBondContact O-N 3.25Å; F745-D750 HydrophobicContact CB-CB 4.19Å; F745-D750 HydrophobicContact CD1-CB 3.74Å; F745-D750 HydrophobicContact CG-CB 4.29Å; F745-L751 HydrophobicContact CB-CD2 4.06Å; F745-L751 HydrophobicContact CB-CG 3.93Å; F745-L751 HydrophobicContact CD2-CD2 3.27Å; F745-L751 HydrophobicContact CD2-CG 4.01Å; F745-L751 HydrophobicContact CE2-CD2 4.02Å; F745-L751 HydrophobicContact CG-CD2 3.91Å; F745-L751 HydrophobicContact CG-CG 4.13Å; F745-Y754 HydrophobicContact CE1-CD2 4.13Å; F745-Y754 HydrophobicContact CE1-CG 4.17Å; F745-Y754 HydrophobicContact CE2-CD1 4.21Å; F745-Y754 HydrophobicContact CE2-CD2 4.32Å; F745-Y754 AromaticContact CE2-CG 4Å; F745-Y754 HydrophobicContact CE2-CG 4Å; F745-Y754 HydrophobicContact CZ-CD1 4.06Å; F745-Y754 AromaticContact CZ-CD2 3.42Å; F745-Y754 HydrophobicContact CZ-CD2 3.42Å; F745-Y754 VanDerWaalsContact CZ-CD2 3.42Å; F745-Y754 HydrophobicContact CZ-CE2 4.02Å; F745-Y754 AromaticContact CZ-CG 3.41Å; F745-Y754 HydrophobicContact CZ-CG 3.41Å; F745-Y754 VanDerWaalsContact CZ-CG 3.41Å | ||
| 746 | R | 65.6 | Low | 62.3 | Low | 248 Ų | 248 | 59.8 Ų | 59.8 | 94% | 0.936 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -85.2 | -18 | 179 | -138.6 | 178.9 | -173.4 | -178.4 | 2.2 | 112.1 | ||
| 747 | R | 68.3 | Low | 64 | Low | 99 Ų | 99 | 60.5 Ų | 60.5 | 37% | 0.374 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -131.9 | 145.4 | -175 | -59.4 | -174.5 | 169.7 | 168 | -2.1 | 110.7 | F749 D750 A778 E782 | R747-F749 PolarHBondContact O-N 3.13Å; R747-D750 WeakPolarHBondContact O-CB 3.44Å; R747-D750 PolarHBondContact O-N 3.25Å; R747-D750 VanDerWaalsContact O-N 3.13Å; R747-A778 VanDerWaalsContact NH1-CB 3.32Å; R747-E782 VanDerWaalsContact CB-OE1 3.23Å; R747-E782 WeakPolarHBondContact CB-OE1 3.44Å; R747-E782 WeakPolarHBondContact CD-OE1 3.44Å; R747-E782 WeakPolarHBondContact CG-OE1 3.43Å; R747-E782 IonicContact NE-OE1 3.66Å |
| 748 | T | 68.7 | Low | 66 | Low | 10 Ų | 10 | 60.5 Ų | 60.5 | 6% | 0.061 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.5 | -27.6 | -179.4 | -22.5 | 0 | 0 | 0 | 0 | 112.7 | F15 L751 L752 F785 | F15-T748 HydrophobicContact CE2-CG2 3.62Å; F15-T748 HydrophobicContact CZ-CG2 3.7Å; T748-L751 HydrophobicContact CG2-CD1 4.25Å; T748-L751 WeakPolarHBondContact O-CB 3.26Å; T748-L751 PolarHBondContact O-N 2.84Å; T748-L752 PolarHBondContact O-N 3.17Å; T748-F785 HydrophobicContact CG2-CD1 3.73Å; T748-F785 HydrophobicContact CG2-CE1 3.16Å; T748-F785 HydrophobicContact CG2-CZ 3.83Å |
| 749 | F | 70.2 | Confident | 67.9 | Low | 35 Ų | 35 | 58.5 Ų | 58.5 | 15% | 0.154 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70.5 | -31.1 | 174.7 | -166.4 | -94.5 | 0 | 0 | 0 | 113.1 | R747 L751 L752 L753 A774 V781 | R747-F749 PolarHBondContact O-N 3.13Å; F749-L751 PolarHBondContact O-N 3.01Å; F749-L752 HydrophobicContact CD2-CD2 4.12Å; F749-L752 HydrophobicContact CE2-CD2 3.82Å; F749-L752 HydrophobicContact CZ-CD2 4.43Å; F749-L752 WeakPolarHBondContact O-CB 3.21Å; F749-L752 PolarHBondContact O-N 3.42Å; F749-L752 VanDerWaalsContact O-N 3.15Å; F749-L753 HydrophobicContact CD1-CD1 3.64Å; F749-L753 HydrophobicContact CD1-CD2 4.36Å; F749-L753 HydrophobicContact CD1-CG 3.69Å; F749-L753 HydrophobicContact CE1-CD1 3.49Å; F749-L753 VanDerWaalsContact CE1-CD1 3.49Å; F749-L753 HydrophobicContact CE1-CD2 3.58Å; F749-L753 HydrophobicContact CE1-CG 3.41Å; F749-L753 VanDerWaalsContact CE1-CG 3.41Å; F749-L753 HydrophobicContact CZ-CD2 4.09Å; F749-L753 HydrophobicContact CZ-CG 4.29Å; F749-L753 WeakPolarHBondContact O-CG 3.5Å; F749-L753 PolarHBondContact O-N 3.27Å; F749-A774 HydrophobicContact CD1-CB 3.29Å; F749-A774 HydrophobicContact CE1-CB 3.21Å; F749-A774 HydrophobicContact CG-CB 4.24Å; F749-A774 HydrophobicContact CZ-CB 4.08Å; F749-V781 HydrophobicContact CD2-CG1 3.44Å; F749-V781 VanDerWaalsContact CD2-CG1 3.44Å; F749-V781 HydrophobicContact CE2-CG1 3.87Å; F749-V781 HydrophobicContact CG-CG1 4.18Å |
| 750 | D | 76.2 | Confident | 69.7 | Low | 40 Ų | 40 | 58 Ų | 58 | 21% | 0.214 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.2 | -33.1 | 177.9 | -60.5 | -24.6 | 0 | 0 | 0 | 110.7 | F745 R747 L753 Y754 | F745-D750 HydrophobicContact CB-CB 4.19Å; F745-D750 HydrophobicContact CD1-CB 3.74Å; F745-D750 HydrophobicContact CG-CB 4.29Å; R747-D750 WeakPolarHBondContact O-CB 3.44Å; R747-D750 PolarHBondContact O-N 3.25Å; R747-D750 VanDerWaalsContact O-N 3.13Å; D750-L753 PolarHBondContact O-N 3.49Å; D750-Y754 VanDerWaalsContact O-CB 3.32Å; D750-Y754 WeakPolarHBondContact O-CB 3.37Å; D750-Y754 PolarHBondContact O-N 3.49Å |
| 751 | L | 75 | Confident | 71.3 | Confident | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.7 | -45.9 | 172.2 | -70.2 | 162.2 | 0 | 0 | 0 | 111.8 | F15 P155 V158 V743 F745 T748 F749 Y754 L755 | F15-L751 HydrophobicContact CE1-CB 4.05Å; F15-L751 HydrophobicContact CZ-CB 4.03Å; F15-L751 HydrophobicContact CZ-CD1 4.02Å; P155-L751 HydrophobicContact CB-CD1 4.3Å; P155-L751 HydrophobicContact CB-CD2 4.01Å; P155-L751 HydrophobicContact CG-CD1 3.84Å; P155-L751 HydrophobicContact CG-CD2 4.45Å; V158-L751 HydrophobicContact CB-CD2 4.07Å; V158-L751 HydrophobicContact CG1-CB 4.49Å; V158-L751 HydrophobicContact CG1-CD2 4.06Å; V158-L751 HydrophobicContact CG2-CD2 4.44Å; V743-L751 HydrophobicContact CG1-CD2 4.14Å; F745-L751 HydrophobicContact CB-CD2 4.06Å; F745-L751 HydrophobicContact CB-CG 3.93Å; F745-L751 HydrophobicContact CD2-CD2 3.27Å; F745-L751 HydrophobicContact CD2-CG 4.01Å; F745-L751 HydrophobicContact CE2-CD2 4.02Å; F745-L751 HydrophobicContact CG-CD2 3.91Å; F745-L751 HydrophobicContact CG-CG 4.13Å; T748-L751 HydrophobicContact CG2-CD1 4.25Å; T748-L751 WeakPolarHBondContact O-CB 3.26Å; T748-L751 PolarHBondContact O-N 2.84Å; F749-L751 PolarHBondContact O-N 3.01Å; L751-Y754 PolarHBondContact O-N 3.37Å; L751-L755 WeakPolarHBondContact O-CB 3.47Å; L751-L755 PolarHBondContact O-N 3.01Å |
| 752 | L | 73.5 | Confident | 72.8 | Confident | 18 Ų | 18 | 53.1 Ų | 53.1 | 9% | 0.094 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.9 | -47.3 | 176.4 | -179.6 | 70.3 | 0 | 0 | 0 | 110.9 | A19 T748 F749 Y754 L755 L756 | A19-L752 HydrophobicContact CB-CD1 3.18Å; A19-L752 HydrophobicContact CB-CD2 3.93Å; A19-L752 HydrophobicContact CB-CG 4.05Å; T748-L752 PolarHBondContact O-N 3.17Å; F749-L752 HydrophobicContact CD2-CD2 4.12Å; F749-L752 HydrophobicContact CE2-CD2 3.82Å; F749-L752 HydrophobicContact CZ-CD2 4.43Å; F749-L752 WeakPolarHBondContact O-CB 3.21Å; F749-L752 PolarHBondContact O-N 3.42Å; F749-L752 VanDerWaalsContact O-N 3.15Å; L752-Y754 VanDerWaalsContact C-N 3.34Å; L752-Y754 PolarHBondContact O-N 2.91Å; L752-L755 PolarHBondContact O-N 3.34Å; L752-L756 HydrophobicContact CD1-CD1 4.25Å; L752-L756 HydrophobicContact CD1-CG 4.38Å; L752-L756 HydrophobicContact CD2-CD1 4.3Å; L752-L756 HydrophobicContact CG-CD1 3.88Å; L752-L756 HydrophobicContact CG-CG 4.37Å; L752-L756 WeakPolarHBondContact O-CB 3.31Å; L752-L756 VanDerWaalsContact O-CG 3.29Å; L752-L756 WeakPolarHBondContact O-CG 3.47Å; L752-L756 PolarHBondContact O-N 2.88Å |
| 753 | L | 75.2 | Confident | 74.3 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.8 | -40.5 | 178.7 | -69.6 | -179.5 | 0 | 0 | 0 | 112.3 | F749 D750 L755 L756 S757 M762 C770 Y771 | F749-L753 HydrophobicContact CD1-CD1 3.64Å; F749-L753 HydrophobicContact CD1-CD2 4.36Å; F749-L753 HydrophobicContact CD1-CG 3.69Å; F749-L753 HydrophobicContact CE1-CD1 3.49Å; F749-L753 VanDerWaalsContact CE1-CD1 3.49Å; F749-L753 HydrophobicContact CE1-CD2 3.58Å; F749-L753 HydrophobicContact CE1-CG 3.41Å; F749-L753 VanDerWaalsContact CE1-CG 3.41Å; F749-L753 HydrophobicContact CZ-CD2 4.09Å; F749-L753 HydrophobicContact CZ-CG 4.29Å; F749-L753 WeakPolarHBondContact O-CG 3.5Å; F749-L753 PolarHBondContact O-N 3.27Å; D750-L753 PolarHBondContact O-N 3.49Å; L753-L755 VanDerWaalsContact C-N 3.35Å; L753-L756 PolarHBondContact O-N 2.79Å; L753-S757 VanDerWaalsContact O-CB 3.27Å; L753-S757 WeakPolarHBondContact O-CB 3.29Å; L753-S757 PolarHBondContact O-N 3.46Å; L753-S757 PolarHBondContact O-OG 3.44Å; L753-M762 HydrophobicContact CD2-CE 4.35Å; L753-C770 HydrophobicContact CD2-CB 3.56Å; L753-Y771 HydrophobicContact CB-CE1 4.44Å; L753-Y771 HydrophobicContact CB-CE2 4.21Å; L753-Y771 HydrophobicContact CD1-CD1 3.37Å; L753-Y771 HydrophobicContact CD1-CD2 3.88Å; L753-Y771 HydrophobicContact CD1-CE1 3.28Å; L753-Y771 HydrophobicContact CD1-CE2 3.79Å; L753-Y771 HydrophobicContact CD1-CG 3.66Å; L753-Y771 VanDerWaalsContact CD1-CZ 3.49Å |
| 754 | Y | 79.3 | Confident | 75.4 | Confident | 45 Ų | 45 | 55.6 Ų | 55.6 | 18% | 0.176 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.9 | -46.5 | 174.8 | 177 | -95.1 | 0 | 0 | 0 | 110.9 | V158 F745 D750 L751 L752 S757 K758 | V158-Y754 HydrophobicContact CG1-CD1 3.58Å; V158-Y754 HydrophobicContact CG1-CE1 4.19Å; F745-Y754 HydrophobicContact CE1-CD2 4.13Å; F745-Y754 HydrophobicContact CE1-CG 4.17Å; F745-Y754 HydrophobicContact CE2-CD1 4.21Å; F745-Y754 HydrophobicContact CE2-CD2 4.32Å; F745-Y754 AromaticContact CE2-CG 4Å; F745-Y754 HydrophobicContact CE2-CG 4Å; F745-Y754 HydrophobicContact CZ-CD1 4.06Å; F745-Y754 AromaticContact CZ-CD2 3.42Å; F745-Y754 HydrophobicContact CZ-CD2 3.42Å; F745-Y754 VanDerWaalsContact CZ-CD2 3.42Å; F745-Y754 HydrophobicContact CZ-CE2 4.02Å; F745-Y754 AromaticContact CZ-CG 3.41Å; F745-Y754 HydrophobicContact CZ-CG 3.41Å; F745-Y754 VanDerWaalsContact CZ-CG 3.41Å; D750-Y754 VanDerWaalsContact O-CB 3.32Å; D750-Y754 WeakPolarHBondContact O-CB 3.37Å; D750-Y754 PolarHBondContact O-N 3.49Å; L751-Y754 PolarHBondContact O-N 3.37Å; L752-Y754 VanDerWaalsContact C-N 3.34Å; L752-Y754 PolarHBondContact O-N 2.91Å; Y754-S757 PolarHBondContact O-N 3.11Å; Y754-S757 PolarHBondContact O-OG 2.87Å; Y754-K758 HydrophobicContact CD1-CG 4.49Å; Y754-K758 HydrophobicContact CD2-CG 3.86Å; Y754-K758 HydrophobicContact CE1-CG 4.26Å; Y754-K758 HydrophobicContact CE2-CD 4.41Å; Y754-K758 HydrophobicContact CE2-CG 3.58Å; Y754-K758 HydrophobicContact CG-CG 4.33Å; Y754-K758 VanDerWaalsContact O-CB 3.28Å; Y754-K758 WeakPolarHBondContact O-CB 3.49Å; Y754-K758 WeakPolarHBondContact O-CG 3.48Å; Y754-K758 PolarHBondContact O-N 2.86Å |
| 755 | L | 80.7 | Confident | 76.3 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.3 | -49.5 | 177 | -175.9 | 76.2 | 0 | 0 | 0 | 112.1 | V16 V158 F161 L751 L752 L753 S757 K758 V759 F760 L865 | V16-L755 HydrophobicContact CB-CD2 3.73Å; V16-L755 HydrophobicContact CG1-CD2 3.55Å; V16-L755 HydrophobicContact CG2-CD1 4.39Å; V16-L755 HydrophobicContact CG2-CD2 3.27Å; V16-L755 HydrophobicContact CG2-CG 4.43Å; V158-L755 HydrophobicContact CG1-CB 4.12Å; V158-L755 HydrophobicContact CG1-CD1 4.45Å; F161-L755 HydrophobicContact CB-CD1 4.47Å; L751-L755 WeakPolarHBondContact O-CB 3.47Å; L751-L755 PolarHBondContact O-N 3.01Å; L752-L755 PolarHBondContact O-N 3.34Å; L753-L755 VanDerWaalsContact C-N 3.35Å; L755-S757 VanDerWaalsContact C-N 3.31Å; L755-S757 PolarHBondContact O-N 3.18Å; L755-K758 PolarHBondContact O-N 3.46Å; L755-V759 HydrophobicContact CD1-CB 4.17Å; L755-V759 HydrophobicContact CD1-CG2 3.67Å; L755-V759 WeakPolarHBondContact O-CB 3.44Å; L755-V759 PolarHBondContact O-N 3.45Å; L755-F760 HydrophobicContact CD2-CE2 4.31Å; L755-F760 HydrophobicContact CG-CD2 4.48Å; L755-F760 HydrophobicContact CG-CE2 4.22Å; L755-F760 PolarHBondContact O-N 3.33Å; L755-L865 HydrophobicContact CD1-CD2 4.41Å |
| 756 | L | 80.5 | Confident | 77 | Confident | 15 Ų | 15 | 58 Ų | 58 | 8% | 0.079 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.6 | -38.7 | 178.9 | -71.4 | 172.6 | 0 | 0 | 0 | 112 | L752 L753 F760 G761 M762 L849 L853 | L752-L756 HydrophobicContact CD1-CD1 4.25Å; L752-L756 HydrophobicContact CD1-CG 4.38Å; L752-L756 HydrophobicContact CD2-CD1 4.3Å; L752-L756 HydrophobicContact CG-CD1 3.88Å; L752-L756 HydrophobicContact CG-CG 4.37Å; L752-L756 WeakPolarHBondContact O-CB 3.31Å; L752-L756 VanDerWaalsContact O-CG 3.29Å; L752-L756 WeakPolarHBondContact O-CG 3.47Å; L752-L756 PolarHBondContact O-N 2.88Å; L753-L756 PolarHBondContact O-N 2.79Å; L756-F760 HydrophobicContact CD2-CD2 4.06Å; L756-F760 HydrophobicContact CD2-CG 4.4Å; L756-F760 CarbonylContact O-C 3.51Å; L756-F760 WeakPolarHBondContact O-CB 3.42Å; L756-G761 PolarHBondContact O-N 3Å; L756-M762 HydrophobicContact CB-CB 4.4Å; L756-M762 HydrophobicContact CB-CE 3.77Å; L756-M762 HydrophobicContact CB-SD 4.16Å; L756-M762 HydrophobicContact CD1-CE 4.39Å; L756-M762 HydrophobicContact CD1-SD 4.38Å; L756-M762 VanDerWaalsContact O-CB 3.27Å; L756-M762 WeakPolarHBondContact O-CB 3.18Å; L756-M762 PolarHBondContact O-N 3.1Å; L756-L849 HydrophobicContact CD2-CD2 4.22Å; L756-L853 HydrophobicContact CD2-CD1 4.21Å |
| 757 | S | 83 | Confident | 77.5 | Confident | 36 Ų | 36 | 46.8 Ų | 46.8 | 25% | 0.252 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -76.4 | -42.7 | 179.3 | 62 | 0 | 0 | 0 | 0 | 113.2 | L753 Y754 L755 G761 | L753-S757 VanDerWaalsContact O-CB 3.27Å; L753-S757 WeakPolarHBondContact O-CB 3.29Å; L753-S757 PolarHBondContact O-N 3.46Å; L753-S757 PolarHBondContact O-OG 3.44Å; Y754-S757 PolarHBondContact O-N 3.11Å; Y754-S757 PolarHBondContact O-OG 2.87Å; L755-S757 VanDerWaalsContact C-N 3.31Å; L755-S757 PolarHBondContact O-N 3.18Å; S757-G761 WeakPolarHBondContact O-CA 3.08Å |
| 758 | K | 82.8 | Confident | 77.8 | Confident | 113 Ų | 113 | 44.4 Ų | 44.4 | 49% | 0.491 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -85.7 | -39.7 | -174.4 | -68.4 | -62.4 | -173.1 | 179.8 | 0 | 114.2 | Y754 L755 | Y754-K758 HydrophobicContact CD1-CG 4.49Å; Y754-K758 HydrophobicContact CD2-CG 3.86Å; Y754-K758 HydrophobicContact CE1-CG 4.26Å; Y754-K758 HydrophobicContact CE2-CD 4.41Å; Y754-K758 HydrophobicContact CE2-CG 3.58Å; Y754-K758 HydrophobicContact CG-CG 4.33Å; Y754-K758 VanDerWaalsContact O-CB 3.28Å; Y754-K758 WeakPolarHBondContact O-CB 3.49Å; Y754-K758 WeakPolarHBondContact O-CG 3.48Å; Y754-K758 PolarHBondContact O-N 2.86Å; L755-K758 PolarHBondContact O-N 3.46Å |
| 759 | V | 83.5 | Confident | 78.3 | Confident | 10 Ų | 10 | 47.2 Ų | 47.2 | 6% | 0.061 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -49 | -175.6 | -177.5 | 0 | 0 | 0 | 0 | 111 | F161 A165 L755 T864 L865 | F161-V759 HydrophobicContact CB-CG2 4.22Å; A165-V759 HydrophobicContact CB-CB 4.36Å; A165-V759 HydrophobicContact CB-CG2 3.96Å; L755-V759 HydrophobicContact CD1-CB 4.17Å; L755-V759 HydrophobicContact CD1-CG2 3.67Å; L755-V759 WeakPolarHBondContact O-CB 3.44Å; L755-V759 PolarHBondContact O-N 3.45Å; V759-T864 HydrophobicContact CG1-CG2 4.35Å; V759-L865 HydrophobicContact CG1-CD2 3.8Å; V759-L865 HydrophobicContact CG1-CG 3.83Å |
| 760 | F | 81.9 | Confident | 78.6 | Confident | 8 Ų | 8 | 46.8 Ų | 46.8 | 4% | 0.035 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -84.5 | -9.9 | -179.1 | -65.9 | -89.9 | 0 | 0 | 0 | 113.7 | V16 L755 L756 M762 L853 F858 I862 L865 | V16-F760 HydrophobicContact CG1-CE2 3.79Å; V16-F760 HydrophobicContact CG1-CZ 3.82Å; L755-F760 HydrophobicContact CD2-CE2 4.31Å; L755-F760 HydrophobicContact CG-CD2 4.48Å; L755-F760 HydrophobicContact CG-CE2 4.22Å; L755-F760 PolarHBondContact O-N 3.33Å; L756-F760 HydrophobicContact CD2-CD2 4.06Å; L756-F760 HydrophobicContact CD2-CG 4.4Å; L756-F760 CarbonylContact O-C 3.51Å; L756-F760 WeakPolarHBondContact O-CB 3.42Å; F760-M762 VanDerWaalsContact C-N 3.34Å; F760-M762 PolarHBondContact O-N 3.18Å; F760-L853 HydrophobicContact CB-CD1 4.08Å; F760-L853 HydrophobicContact CB-CD2 4.09Å; F760-L853 HydrophobicContact CD1-CD1 4.32Å; F760-L853 HydrophobicContact CG-CD1 4.36Å; F760-F858 AromaticContact CD1-CD2 3.96Å; F760-F858 HydrophobicContact CD1-CD2 3.96Å; F760-F858 HydrophobicContact CD1-CE2 4.42Å; F760-F858 AromaticContact CE1-CD2 3.87Å; F760-F858 HydrophobicContact CE1-CD2 3.87Å; F760-F858 AromaticContact CE1-CE2 3.92Å; F760-F858 HydrophobicContact CE1-CE2 3.92Å; F760-I862 HydrophobicContact CE1-CG1 4.22Å; F760-L865 HydrophobicContact CE2-CD1 4.26Å; F760-L865 HydrophobicContact CZ-CD1 3.97Å |
| 761 | G | 77 | Confident | 78.5 | Confident | 38 Ų | 38 | 49.7 Ų | 49.7 | 39% | 0.392 | 25% | 0.245 | S | C | . | . | trans | 65.7 | 34.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L756 S757 N763 | L756-G761 PolarHBondContact O-N 3Å; S757-G761 WeakPolarHBondContact O-CA 3.08Å; G761-N763 PolarHBondContact O-N 3.25Å | ||
| 762 | M | 77.7 | Confident | 78.6 | Confident | 13 Ų | 13 | 55.8 Ų | 55.8 | 6% | 0.064 | 28% | 0.275 | C | S | . | . | trans | -53.5 | 130 | 179.9 | -171.8 | 171.7 | 55.7 | 0 | 0 | 111.6 | L753 L756 F760 F766 L853 | L753-M762 HydrophobicContact CD2-CE 4.35Å; L756-M762 HydrophobicContact CB-CB 4.4Å; L756-M762 HydrophobicContact CB-CE 3.77Å; L756-M762 HydrophobicContact CB-SD 4.16Å; L756-M762 HydrophobicContact CD1-CE 4.39Å; L756-M762 HydrophobicContact CD1-SD 4.38Å; L756-M762 VanDerWaalsContact O-CB 3.27Å; L756-M762 WeakPolarHBondContact O-CB 3.18Å; L756-M762 PolarHBondContact O-N 3.1Å; F760-M762 VanDerWaalsContact C-N 3.34Å; F760-M762 PolarHBondContact O-N 3.18Å; M762-F766 HydrophobicContact CG-CB 4.04Å; M762-F766 HydrophobicContact SD-CB 4.27Å; M762-L853 HydrophobicContact CB-CD2 3.75Å; M762-L853 HydrophobicContact CG-CD2 4.03Å | ||
| 763 | N | 81.1 | Confident | 78.5 | Confident | 79 Ų | 79 | 58 Ų | 58 | 42% | 0.422 | 28% | 0.284 | S | S | . | . | trans | -55.9 | 143.5 | 179.9 | -66.9 | -12.5 | 0 | 0 | 0 | 111.4 | G761 F765 F766 S767 Q857 | G761-N763 PolarHBondContact O-N 3.25Å; N763-F765 PolarHBondContact O-N 3Å; N763-F765 VanDerWaalsContact O-N 3.14Å; N763-F766 HydrophobicContact CB-CD2 4.07Å; N763-F766 PolarHBondContact O-N 3.02Å; N763-F766 VanDerWaalsContact O-N 3.12Å; N763-S767 PolarHBondContact O-N 3.49Å; N763-Q857 PolarHBondContact OD1-NE2 3.06Å | ||
| 764 | Y | 79 | Confident | 78.3 | Confident | 198 Ų | 198 | 58.5 Ų | 58.5 | 78% | 0.776 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -53.9 | -37.4 | -179 | -179.3 | -97.7 | 0 | 0 | 0 | 113.3 | S767 S768 | Y764-S767 WeakPolarHBondContact O-CB 3.3Å; Y764-S767 PolarHBondContact O-N 2.83Å; Y764-S768 WeakPolarHBondContact O-CB 3.48Å; Y764-S768 PolarHBondContact O-N 2.72Å |
| 765 | F | 78.4 | Confident | 78 | Confident | 148 Ų | 148 | 63.5 Ų | 63.5 | 65% | 0.649 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -61.1 | -50.8 | 177.4 | -179.8 | -98.4 | 0 | 0 | 0 | 112.7 | N763 S767 S768 L769 | N763-F765 PolarHBondContact O-N 3Å; N763-F765 VanDerWaalsContact O-N 3.14Å; F765-S767 VanDerWaalsContact C-N 3.34Å; F765-S768 PolarHBondContact O-N 3.21Å; F765-L769 WeakPolarHBondContact O-CB 3.26Å; F765-L769 PolarHBondContact O-N 2.87Å |
| 766 | F | 80.1 | Confident | 77.8 | Confident | 59 Ų | 59 | 69 Ų | 69 | 26% | 0.259 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -68.1 | -36.5 | 177.7 | -68 | -63.2 | 0 | 0 | 0 | 111.7 | M762 N763 L769 C770 L852 | M762-F766 HydrophobicContact CG-CB 4.04Å; M762-F766 HydrophobicContact SD-CB 4.27Å; N763-F766 HydrophobicContact CB-CD2 4.07Å; N763-F766 PolarHBondContact O-N 3.02Å; N763-F766 VanDerWaalsContact O-N 3.12Å; F766-L769 PolarHBondContact O-N 3.16Å; F766-C770 WeakPolarHBondContact O-CB 3.49Å; F766-C770 PolarHBondContact O-N 3.44Å; F766-C770 PolarHBondContact O-SG 2.89Å; F766-L852 HydrophobicContact CD1-CD2 4.06Å; F766-L852 WeakPolarHBondContact CD2-O 3.09Å; F766-L852 HydrophobicContact CE1-CD2 4.38Å |
| 767 | S | 75 | Confident | 77.3 | Confident | 12 Ų | 12 | 73.6 Ų | 73.6 | 8% | 0.084 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.3 | -51.5 | 172 | -172.3 | 0 | 0 | 0 | 0 | 111.4 | N763 Y764 F765 L769 C770 Y771 | N763-S767 PolarHBondContact O-N 3.49Å; Y764-S767 WeakPolarHBondContact O-CB 3.3Å; Y764-S767 PolarHBondContact O-N 2.83Å; F765-S767 VanDerWaalsContact C-N 3.34Å; S767-L769 VanDerWaalsContact C-N 3.34Å; S767-L769 PolarHBondContact O-N 3.48Å; S767-C770 PolarHBondContact O-N 2.63Å; S767-Y771 WeakPolarHBondContact O-CD2 3.09Å; S767-Y771 PolarHBondContact O-N 2.92Å; S767-Y771 WeakPolarHBondContact OG-CE2 3.34Å |
| 768 | S | 75.5 | Confident | 76.6 | Confident | 50 Ų | 50 | 72.6 Ų | 72.6 | 35% | 0.35 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.3 | -43.4 | 177.6 | -179.4 | 0 | 0 | 0 | 0 | 111.9 | Y764 F765 C770 Y771 M772 | Y764-S768 WeakPolarHBondContact O-CB 3.48Å; Y764-S768 PolarHBondContact O-N 2.72Å; F765-S768 PolarHBondContact O-N 3.21Å; S768-C770 PolarHBondContact O-N 3.22Å; S768-Y771 PolarHBondContact O-N 3.43Å; S768-M772 VanDerWaalsContact O-CG 3.27Å; S768-M772 WeakPolarHBondContact O-CG 3.46Å; S768-M772 PolarHBondContact O-N 3.02Å |
| 769 | L | 78.5 | Confident | 76.3 | Confident | 69 Ų | 69 | 71.4 Ų | 71.4 | 36% | 0.361 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.2 | -46.3 | 175.6 | -174 | 67 | 0 | 0 | 0 | 111.7 | F765 F766 S767 M772 F773 | F765-L769 WeakPolarHBondContact O-CB 3.26Å; F765-L769 PolarHBondContact O-N 2.87Å; F766-L769 PolarHBondContact O-N 3.16Å; S767-L769 VanDerWaalsContact C-N 3.34Å; S767-L769 PolarHBondContact O-N 3.48Å; L769-M772 PolarHBondContact O-N 2.97Å; L769-F773 HydrophobicContact CD1-CD2 3.98Å; L769-F773 HydrophobicContact CD1-CE2 3.39Å; L769-F773 HydrophobicContact CD1-CZ 4.05Å; L769-F773 HydrophobicContact CD2-CE2 3.99Å; L769-F773 HydrophobicContact CG-CD2 3.76Å; L769-F773 HydrophobicContact CG-CE2 3.45Å; L769-F773 VanDerWaalsContact CG-CE2 3.45Å; L769-F773 WeakPolarHBondContact O-CD2 3.28Å; L769-F773 PolarHBondContact O-N 3.37Å |
| 770 | C | 75.9 | Confident | 75.8 | Confident | 25 Ų | 25 | 73.8 Ų | 73.8 | 17% | 0.169 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 176.4 | -66.6 | 0 | 0 | 0 | 0 | 111.9 | L753 F766 S767 S768 F773 A774 | L753-C770 HydrophobicContact CD2-CB 3.56Å; F766-C770 WeakPolarHBondContact O-CB 3.49Å; F766-C770 PolarHBondContact O-N 3.44Å; F766-C770 PolarHBondContact O-SG 2.89Å; S767-C770 PolarHBondContact O-N 2.63Å; S768-C770 PolarHBondContact O-N 3.22Å; C770-F773 PolarHBondContact O-N 2.97Å; C770-A774 WeakPolarHBondContact O-CB 3.41Å; C770-A774 PolarHBondContact O-N 3.42Å |
| 771 | Y | 75.4 | Confident | 75.2 | Confident | 102 Ų | 102 | 75.5 Ų | 75.5 | 40% | 0.4 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 173.8 | -88.4 | -73.4 | 0 | 0 | 0 | 112 | L753 S767 S768 A774 H775 | L753-Y771 HydrophobicContact CB-CE1 4.44Å; L753-Y771 HydrophobicContact CB-CE2 4.21Å; L753-Y771 HydrophobicContact CD1-CD1 3.37Å; L753-Y771 HydrophobicContact CD1-CD2 3.88Å; L753-Y771 HydrophobicContact CD1-CE1 3.28Å; L753-Y771 HydrophobicContact CD1-CE2 3.79Å; L753-Y771 HydrophobicContact CD1-CG 3.66Å; L753-Y771 VanDerWaalsContact CD1-CZ 3.49Å; S767-Y771 WeakPolarHBondContact O-CD2 3.09Å; S767-Y771 PolarHBondContact O-N 2.92Å; S767-Y771 WeakPolarHBondContact OG-CE2 3.34Å; S768-Y771 PolarHBondContact O-N 3.43Å; Y771-A774 PolarHBondContact O-N 3.39Å; Y771-H775 WeakPolarHBondContact O-CB 3.3Å; Y771-H775 PolarHBondContact O-N 3.14Å |
| 772 | M | 76.9 | Confident | 75 | Confident | 132 Ų | 132 | 76.1 Ų | 76.1 | 65% | 0.65 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -62.5 | -46.4 | 177.1 | -72 | -64.9 | -68.2 | 0 | 0 | 111.4 | S768 L769 H775 M776 | S768-M772 VanDerWaalsContact O-CG 3.27Å; S768-M772 WeakPolarHBondContact O-CG 3.46Å; S768-M772 PolarHBondContact O-N 3.02Å; L769-M772 PolarHBondContact O-N 2.97Å; M772-H775 PolarHBondContact O-N 3.29Å; M772-M776 PolarHBondContact O-N 3.18Å; M772-M776 VanDerWaalsContact O-N 3.1Å |
| 773 | F | 71.5 | Confident | 74.9 | Confident | 65 Ų | 65 | 79.9 Ų | 79.9 | 29% | 0.285 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.8 | -39.2 | 177.3 | -75.3 | -53.5 | 0 | 0 | 0 | 113 | F30 L769 C770 H775 M776 W777 | F30-F773 HydrophobicContact CE2-CE1 4.02Å; F30-F773 AromaticContact CE2-CZ 3.71Å; F30-F773 HydrophobicContact CE2-CZ 3.71Å; F30-F773 HydrophobicContact CZ-CZ 4.22Å; L769-F773 HydrophobicContact CD1-CD2 3.98Å; L769-F773 HydrophobicContact CD1-CE2 3.39Å; L769-F773 HydrophobicContact CD1-CZ 4.05Å; L769-F773 HydrophobicContact CD2-CE2 3.99Å; L769-F773 HydrophobicContact CG-CD2 3.76Å; L769-F773 HydrophobicContact CG-CE2 3.45Å; L769-F773 VanDerWaalsContact CG-CE2 3.45Å; L769-F773 WeakPolarHBondContact O-CD2 3.28Å; L769-F773 PolarHBondContact O-N 3.37Å; C770-F773 PolarHBondContact O-N 2.97Å; F773-H775 VanDerWaalsContact C-N 3.3Å; F773-H775 PolarHBondContact O-N 3.48Å; F773-M776 HydrophobicContact CD1-CE 3.77Å; F773-M776 HydrophobicContact CE1-CE 4.07Å; F773-M776 PolarHBondContact O-N 3.01Å; F773-W777 HydrophobicContact CB-CE3 4.31Å; F773-W777 HydrophobicContact CB-CZ3 4.47Å; F773-W777 AromaticContact CD1-CE3 3.86Å; F773-W777 HydrophobicContact CD1-CE3 3.86Å; F773-W777 HydrophobicContact CD1-CH2 4.17Å; F773-W777 AromaticContact CD1-CZ3 3.24Å; F773-W777 HydrophobicContact CD1-CZ3 3.24Å; F773-W777 HydrophobicContact CE1-CH2 4.24Å; F773-W777 AromaticContact CE1-CZ3 3.69Å; F773-W777 HydrophobicContact CE1-CZ3 3.69Å; F773-W777 HydrophobicContact CG-CZ3 4.18Å; F773-W777 PolarHBondContact O-N 3.49Å |
| 774 | A | 70.6 | Confident | 74.3 | Confident | 10 Ų | 10 | 79.9 Ų | 79.9 | 8% | 0.083 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62 | -39.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F749 C770 Y771 A778 | F749-A774 HydrophobicContact CD1-CB 3.29Å; F749-A774 HydrophobicContact CE1-CB 3.21Å; F749-A774 HydrophobicContact CG-CB 4.24Å; F749-A774 HydrophobicContact CZ-CB 4.08Å; C770-A774 WeakPolarHBondContact O-CB 3.41Å; C770-A774 PolarHBondContact O-N 3.42Å; Y771-A774 PolarHBondContact O-N 3.39Å; A774-A778 WeakPolarHBondContact O-CA 3.4Å; A774-A778 WeakPolarHBondContact O-CB 3.27Å; A774-A778 PolarHBondContact O-N 3.18Å |
| 775 | H | 73.1 | Confident | 73.7 | Confident | 151 Ų | 151 | 71.2 Ų | 71.2 | 70% | 0.699 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -68.3 | -38.8 | 176.8 | -161.7 | 78.9 | 0 | 0 | 0 | 111.5 | Y771 M772 F773 | Y771-H775 WeakPolarHBondContact O-CB 3.3Å; Y771-H775 PolarHBondContact O-N 3.14Å; M772-H775 PolarHBondContact O-N 3.29Å; F773-H775 VanDerWaalsContact C-N 3.3Å; F773-H775 PolarHBondContact O-N 3.48Å |
| 776 | M | 76.2 | Confident | 73.4 | Confident | 115 Ų | 115 | 66.8 Ų | 66.8 | 57% | 0.567 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -71.5 | -32.5 | -179.9 | -168.6 | 168.3 | 58.9 | 0 | 0 | 113.5 | M772 F773 | M772-M776 PolarHBondContact O-N 3.18Å; M772-M776 VanDerWaalsContact O-N 3.1Å; F773-M776 HydrophobicContact CD1-CE 3.77Å; F773-M776 HydrophobicContact CE1-CE 4.07Å; F773-M776 PolarHBondContact O-N 3.01Å |
| 777 | W | 69.6 | Low | 73 | Confident | 112 Ų | 112 | 70.2 Ų | 70.2 | 42% | 0.424 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -121 | 24.1 | -177.8 | -72.2 | -61.8 | 0 | 0 | 0 | 114.6 | F773 S779 S780 V781 | F773-W777 HydrophobicContact CB-CE3 4.31Å; F773-W777 HydrophobicContact CB-CZ3 4.47Å; F773-W777 AromaticContact CD1-CE3 3.86Å; F773-W777 HydrophobicContact CD1-CE3 3.86Å; F773-W777 HydrophobicContact CD1-CH2 4.17Å; F773-W777 AromaticContact CD1-CZ3 3.24Å; F773-W777 HydrophobicContact CD1-CZ3 3.24Å; F773-W777 HydrophobicContact CE1-CH2 4.24Å; F773-W777 AromaticContact CE1-CZ3 3.69Å; F773-W777 HydrophobicContact CE1-CZ3 3.69Å; F773-W777 HydrophobicContact CG-CZ3 4.18Å; F773-W777 PolarHBondContact O-N 3.49Å; W777-S779 VanDerWaalsContact C-N 3.34Å; W777-S779 PolarHBondContact O-N 3.14Å; W777-S779 VanDerWaalsContact O-N 3.16Å; W777-S780 PolarHBondContact O-N 3.16Å; W777-V781 HydrophobicContact CB-CG2 3.95Å; W777-V781 WeakPolarHBondContact O-CG2 3.5Å; W777-V781 PolarHBondContact O-N 3.16Å |
| 778 | A | 69.9 | Low | 72.7 | Confident | 16 Ų | 16 | 70.8 Ų | 70.8 | 13% | 0.132 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -47.1 | -52 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | R747 A774 S780 V781 E782 | R747-A778 VanDerWaalsContact NH1-CB 3.32Å; A774-A778 WeakPolarHBondContact O-CA 3.4Å; A774-A778 WeakPolarHBondContact O-CB 3.27Å; A774-A778 PolarHBondContact O-N 3.18Å; A778-S780 PolarHBondContact O-N 2.92Å; A778-V781 PolarHBondContact O-N 2.97Å; A778-E782 WeakPolarHBondContact O-CB 3.36Å; A778-E782 VanDerWaalsContact O-CG 3.28Å; A778-E782 WeakPolarHBondContact O-CG 3.44Å; A778-E782 PolarHBondContact O-N 2.98Å |
| 779 | S | 75.5 | Confident | 72.4 | Confident | 87 Ų | 87 | 68.4 Ų | 68.4 | 61% | 0.608 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -66.5 | -38.4 | -177.5 | 55.5 | 0 | 0 | 0 | 0 | 113.3 | W777 L783 | W777-S779 VanDerWaalsContact C-N 3.34Å; W777-S779 PolarHBondContact O-N 3.14Å; W777-S779 VanDerWaalsContact O-N 3.16Å; S779-L783 WeakPolarHBondContact O-CB 3.27Å; S779-L783 PolarHBondContact O-N 3.31Å |
| 780 | S | 73.7 | Confident | 72 | Confident | 60 Ų | 60 | 69.7 Ų | 69.7 | 42% | 0.42 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -72.1 | -42 | -179.8 | -58.4 | 0 | 0 | 0 | 0 | 111 | W777 A778 L783 L784 | W777-S780 PolarHBondContact O-N 3.16Å; A778-S780 PolarHBondContact O-N 2.92Å; S780-L783 PolarHBondContact O-N 3.43Å; S780-L784 WeakPolarHBondContact O-CB 3.2Å; S780-L784 VanDerWaalsContact O-CG 3.28Å; S780-L784 WeakPolarHBondContact O-CG 3.34Å; S780-L784 PolarHBondContact O-N 3.22Å |
| 781 | V | 69 | Low | 71.9 | Confident | 44 Ų | 44 | 76.9 Ų | 76.9 | 27% | 0.267 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.3 | -44.6 | 176.9 | 174.2 | 0 | 0 | 0 | 0 | 110.2 | F749 W777 A778 L784 F785 | F749-V781 HydrophobicContact CD2-CG1 3.44Å; F749-V781 VanDerWaalsContact CD2-CG1 3.44Å; F749-V781 HydrophobicContact CE2-CG1 3.87Å; F749-V781 HydrophobicContact CG-CG1 4.18Å; W777-V781 HydrophobicContact CB-CG2 3.95Å; W777-V781 WeakPolarHBondContact O-CG2 3.5Å; W777-V781 PolarHBondContact O-N 3.16Å; A778-V781 PolarHBondContact O-N 2.97Å; V781-L784 PolarHBondContact O-N 3.34Å; V781-F785 WeakPolarHBondContact O-CB 3.36Å; V781-F785 PolarHBondContact O-N 3.01Å |
| 782 | E | 72.3 | Confident | 71.5 | Confident | 51 Ų | 51 | 74.1 Ų | 74.1 | 24% | 0.238 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60 | -47.4 | 175.6 | -79.3 | 176.6 | 179 | 0 | 0 | 111.8 | R747 A778 L784 F785 H786 | R747-E782 VanDerWaalsContact CB-OE1 3.23Å; R747-E782 WeakPolarHBondContact CB-OE1 3.44Å; R747-E782 WeakPolarHBondContact CD-OE1 3.44Å; R747-E782 WeakPolarHBondContact CG-OE1 3.43Å; R747-E782 IonicContact NE-OE1 3.66Å; A778-E782 WeakPolarHBondContact O-CB 3.36Å; A778-E782 VanDerWaalsContact O-CG 3.28Å; A778-E782 WeakPolarHBondContact O-CG 3.44Å; A778-E782 PolarHBondContact O-N 2.98Å; E782-L784 PolarHBondContact O-N 3.1Å; E782-F785 WeakPolarHBondContact O-CB 3.5Å; E782-F785 PolarHBondContact O-N 2.52Å; E782-H786 WeakPolarHBondContact O-CB 3.26Å; E782-H786 PolarHBondContact O-N 2.66Å; E782-H786 PolarHBondContact O-ND1 2.94Å |
| 783 | L | 75.1 | Confident | 71.2 | Confident | 93 Ų | 93 | 68.3 Ų | 68.3 | 49% | 0.487 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.4 | -41.6 | -179.1 | -174.6 | 65.2 | 0 | 0 | 0 | 112.4 | S779 S780 R787 | S779-L783 WeakPolarHBondContact O-CB 3.27Å; S779-L783 PolarHBondContact O-N 3.31Å; S780-L783 PolarHBondContact O-N 3.43Å; L783-R787 VanDerWaalsContact O-CG 3.32Å; L783-R787 WeakPolarHBondContact O-CG 3.44Å; L783-R787 PolarHBondContact O-N 2.96Å; L783-R787 VanDerWaalsContact O-N 3.12Å |
| 784 | L | 69.1 | Low | 71.3 | Confident | 78 Ų | 78 | 70.3 Ų | 70.3 | 41% | 0.408 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.1 | -44.5 | 175.2 | -72.2 | 172.2 | 0 | 0 | 0 | 111 | S780 V781 E782 H786 R787 L788 | S780-L784 WeakPolarHBondContact O-CB 3.2Å; S780-L784 VanDerWaalsContact O-CG 3.28Å; S780-L784 WeakPolarHBondContact O-CG 3.34Å; S780-L784 PolarHBondContact O-N 3.22Å; V781-L784 PolarHBondContact O-N 3.34Å; E782-L784 PolarHBondContact O-N 3.1Å; L784-H786 PolarHBondContact O-N 3.44Å; L784-R787 PolarHBondContact O-N 3.27Å; L784-L788 WeakPolarHBondContact O-CG 3.47Å; L784-L788 PolarHBondContact O-N 3.41Å |
| 785 | F | 67.7 | Low | 71.5 | Confident | 16 Ų | 16 | 71.4 Ų | 71.4 | 7% | 0.07 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -56.4 | -51.4 | 176.7 | -175.2 | -88.6 | 0 | 0 | 0 | 111.2 | F15 A19 T748 V781 E782 R787 L788 C789 | F15-F785 HydrophobicContact CD2-CE1 4.21Å; F15-F785 AromaticContact CD2-CZ 3.61Å; F15-F785 HydrophobicContact CD2-CZ 3.61Å; F15-F785 HydrophobicContact CE1-CZ 4.49Å; F15-F785 AromaticContact CE2-CE1 3.65Å; F15-F785 HydrophobicContact CE2-CE1 3.65Å; F15-F785 HydrophobicContact CE2-CE2 4.42Å; F15-F785 AromaticContact CE2-CZ 3.25Å; F15-F785 HydrophobicContact CE2-CZ 3.25Å; F15-F785 HydrophobicContact CG-CZ 4.38Å; F15-F785 HydrophobicContact CZ-CE1 4.31Å; F15-F785 AromaticContact CZ-CZ 3.74Å; F15-F785 HydrophobicContact CZ-CZ 3.74Å; A19-F785 HydrophobicContact CB-CE2 3.79Å; T748-F785 HydrophobicContact CG2-CD1 3.73Å; T748-F785 HydrophobicContact CG2-CE1 3.16Å; T748-F785 HydrophobicContact CG2-CZ 3.83Å; V781-F785 WeakPolarHBondContact O-CB 3.36Å; V781-F785 PolarHBondContact O-N 3.01Å; E782-F785 WeakPolarHBondContact O-CB 3.5Å; E782-F785 PolarHBondContact O-N 2.52Å; F785-R787 VanDerWaalsContact C-N 3.34Å; F785-R787 PolarHBondContact O-N 2.92Å; F785-L788 PolarHBondContact O-N 3.24Å; F785-C789 HydrophobicContact CE1-CB 4.42Å; F785-C789 WeakPolarHBondContact CE1-SG 3.27Å; F785-C789 WeakPolarHBondContact CZ-SG 3.24Å; F785-C789 WeakPolarHBondContact O-CB 3.3Å; F785-C789 PolarHBondContact O-N 2.98Å; F785-C789 PolarHBondContact O-SG 3.14Å; F785-C789 VanDerWaalsContact O-SG 3.39Å |
| 786 | H | 71.7 | Confident | 71.2 | Confident | 56 Ų | 56 | 65.3 Ų | 65.3 | 26% | 0.259 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -57.1 | -44.6 | 177.5 | -78.5 | 66.5 | 0 | 0 | 0 | 112 | H146 E782 L784 L788 C789 Q790 | H146-H786 AromaticContact CE1-CD2 3.06Å; H146-H786 PolarHBondContact CE1-CD2 3.44Å; H146-H786 AromaticContact CE1-CG 3.91Å; H146-H786 AromaticContact CE1-NE2 3.6Å; H146-H786 AromaticContact NE2-CD2 3.44Å; H146-H786 PolarHBondContact NE2-CD2 2.79Å; H146-H786 AromaticContact NE2-CG 3.88Å; E782-H786 WeakPolarHBondContact O-CB 3.26Å; E782-H786 PolarHBondContact O-N 2.66Å; E782-H786 PolarHBondContact O-ND1 2.94Å; L784-H786 PolarHBondContact O-N 3.44Å; H786-L788 PolarHBondContact O-N 3.25Å; H786-C789 PolarHBondContact O-N 3.12Å; H786-Q790 VanDerWaalsContact O-CB 3.24Å; H786-Q790 WeakPolarHBondContact O-CB 3.38Å; H786-Q790 PolarHBondContact O-N 3.28Å |
| 787 | R | 71.7 | Confident | 71.1 | Confident | 131 Ų | 131 | 62.6 Ų | 62.6 | 49% | 0.494 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 178.3 | -71.8 | 176.3 | -164.1 | 173.2 | 2.7 | 113 | L783 L784 F785 R791 | L783-R787 VanDerWaalsContact O-CG 3.32Å; L783-R787 WeakPolarHBondContact O-CG 3.44Å; L783-R787 PolarHBondContact O-N 2.96Å; L783-R787 VanDerWaalsContact O-N 3.12Å; L784-R787 PolarHBondContact O-N 3.27Å; F785-R787 VanDerWaalsContact C-N 3.34Å; F785-R787 PolarHBondContact O-N 2.92Å; R787-R791 WeakPolarHBondContact O-CG 3.46Å; R787-R791 PolarHBondContact O-N 3.37Å |
| 788 | L | 67.9 | Low | 71.5 | Confident | 24 Ų | 24 | 59.2 Ų | 59.2 | 13% | 0.126 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -69.7 | -45 | 179.3 | -69.1 | 174 | 0 | 0 | 0 | 111.2 | I18 D22 L784 F785 H786 Q790 R791 K792 | I18-L788 HydrophobicContact CG2-CB 4.14Å; D22-L788 HydrophobicContact CB-CD1 4.12Å; L784-L788 WeakPolarHBondContact O-CG 3.47Å; L784-L788 PolarHBondContact O-N 3.41Å; F785-L788 PolarHBondContact O-N 3.24Å; H786-L788 PolarHBondContact O-N 3.25Å; L788-Q790 VanDerWaalsContact C-N 3.31Å; L788-Q790 PolarHBondContact O-N 3.33Å; L788-R791 PolarHBondContact O-N 3.08Å; L788-K792 PolarHBondContact O-N 2.71Å |
| 789 | C | 68.8 | Low | 71.8 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.2 | -45.2 | 172.9 | -83 | 0 | 0 | 0 | 0 | 111.9 | F150 F785 H786 K792 L793 | F150-C789 HydrophobicContact CD1-CB 4.16Å; F150-C789 HydrophobicContact CD2-CB 4.16Å; F150-C789 HydrophobicContact CE1-CB 3.62Å; F150-C789 WeakPolarHBondContact CE1-SG 3.45Å; F150-C789 HydrophobicContact CE2-CB 3.61Å; F150-C789 HydrophobicContact CG-CB 4.42Å; F150-C789 HydrophobicContact CZ-CB 3.32Å; F785-C789 HydrophobicContact CE1-CB 4.42Å; F785-C789 WeakPolarHBondContact CE1-SG 3.27Å; F785-C789 WeakPolarHBondContact CZ-SG 3.24Å; F785-C789 WeakPolarHBondContact O-CB 3.3Å; F785-C789 PolarHBondContact O-N 2.98Å; F785-C789 PolarHBondContact O-SG 3.14Å; F785-C789 VanDerWaalsContact O-SG 3.39Å; H786-C789 PolarHBondContact O-N 3.12Å; C789-K792 PolarHBondContact O-N 3.3Å; C789-L793 WeakPolarHBondContact O-CB 3.15Å; C789-L793 PolarHBondContact O-N 2.95Å |
| 790 | Q | 71 | Confident | 72.1 | Confident | 96 Ų | 96 | 58.7 Ų | 58.7 | 45% | 0.449 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.1 | -48.4 | 175.8 | -177.3 | 177.9 | -11.3 | 0 | 0 | 111.9 | H786 L788 K792 L793 E794 | H786-Q790 VanDerWaalsContact O-CB 3.24Å; H786-Q790 WeakPolarHBondContact O-CB 3.38Å; H786-Q790 PolarHBondContact O-N 3.28Å; L788-Q790 VanDerWaalsContact C-N 3.31Å; L788-Q790 PolarHBondContact O-N 3.33Å; Q790-K792 VanDerWaalsContact C-N 3.31Å; Q790-K792 PolarHBondContact O-N 3.48Å; Q790-L793 PolarHBondContact O-N 3.26Å; Q790-E794 WeakPolarHBondContact CG-OE1 3.34Å; Q790-E794 PolarHBondContact NE2-OE1 3.08Å; Q790-E794 WeakPolarHBondContact O-CB 3.39Å; Q790-E794 WeakPolarHBondContact O-CG 3.43Å; Q790-E794 PolarHBondContact O-N 2.62Å |
| 791 | R | 72.6 | Confident | 72.2 | Confident | 175 Ų | 175 | 56 Ų | 56 | 66% | 0.66 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -58.7 | -41.2 | 179 | -77.2 | 176.9 | 176.9 | 174.7 | -1.9 | 113 | R787 L788 S795 | R787-R791 WeakPolarHBondContact O-CG 3.46Å; R787-R791 PolarHBondContact O-N 3.37Å; L788-R791 PolarHBondContact O-N 3.08Å; R791-S795 PolarHBondContact O-N 3.04Å; R791-S795 VanDerWaalsContact O-N 3.07Å |
| 792 | K | 68.1 | Low | 72.7 | Confident | 45 Ų | 45 | 54.6 Ų | 54.6 | 20% | 0.196 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -78 | -33.3 | 179.2 | -77 | -76.7 | -177.1 | -171.5 | 0 | 112.6 | I18 D264 L788 C789 Q790 E794 S795 W796 | I18-K792 HydrophobicContact CD1-CB 3.38Å; I18-K792 HydrophobicContact CD1-CG 3.91Å; I18-K792 HydrophobicContact CG1-CB 3.98Å; I18-K792 HydrophobicContact CG1-CG 3.92Å; D264-K792 IonicContact OD1-NZ 2.75Å; D264-K792 PolarHBondContact OD1-NZ 2.82Å; D264-K792 IonicContact OD2-NZ 3.56Å; D264-K792 PolarHBondContact OD2-NZ 3.36Å; D264-K792 VanDerWaalsContact OD2-NZ 3.16Å; L788-K792 PolarHBondContact O-N 2.71Å; C789-K792 PolarHBondContact O-N 3.3Å; Q790-K792 VanDerWaalsContact C-N 3.31Å; Q790-K792 PolarHBondContact O-N 3.48Å; K792-E794 VanDerWaalsContact C-N 3.31Å; K792-E794 PolarHBondContact O-N 3.15Å; K792-S795 WeakPolarHBondContact O-CB 3.27Å; K792-S795 PolarHBondContact O-N 3.21Å; K792-W796 HydrophobicContact CB-CH2 4.31Å; K792-W796 HydrophobicContact CB-CZ2 4.48Å; K792-W796 PolarHBondContact O-N 3.24Å |
| 793 | L | 70.4 | Confident | 73 | Confident | 10 Ų | 10 | 52.2 Ų | 52.2 | 5% | 0.052 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.6 | -44.4 | 168.3 | 174.2 | 62.3 | 0 | 0 | 0 | 111 | L11 L145 H146 F150 C789 Q790 S795 W796 L797 | L11-L793 HydrophobicContact CD1-CD1 3.46Å; L11-L793 VanDerWaalsContact CD1-CD1 3.46Å; L11-L793 HydrophobicContact CD2-CB 3.83Å; L11-L793 HydrophobicContact CD2-CD1 3.5Å; L11-L793 HydrophobicContact CD2-CG 4.23Å; L11-L793 HydrophobicContact CG-CD1 4.22Å; L145-L793 HydrophobicContact CB-CD2 4.46Å; H146-L793 HydrophobicContact CB-CD2 4.43Å; F150-L793 HydrophobicContact CE2-CB 4.41Å; F150-L793 HydrophobicContact CE2-CD2 4.09Å; F150-L793 HydrophobicContact CZ-CB 4.49Å; C789-L793 WeakPolarHBondContact O-CB 3.15Å; C789-L793 PolarHBondContact O-N 2.95Å; Q790-L793 PolarHBondContact O-N 3.26Å; L793-S795 VanDerWaalsContact C-N 3.35Å; L793-S795 PolarHBondContact O-N 2.74Å; L793-W796 PolarHBondContact O-N 3.17Å; L793-L797 HydrophobicContact CD1-CD1 3.67Å; L793-L797 HydrophobicContact CD1-CG 3.84Å; L793-L797 HydrophobicContact CD2-CD1 4.49Å; L793-L797 HydrophobicContact CG-CD1 3.77Å; L793-L797 HydrophobicContact CG-CG 4.32Å; L793-L797 VanDerWaalsContact O-CB 3.32Å; L793-L797 WeakPolarHBondContact O-CB 3.36Å; L793-L797 VanDerWaalsContact O-CG 3.27Å; L793-L797 WeakPolarHBondContact O-CG 3.4Å; L793-L797 PolarHBondContact O-N 3.05Å |
| 794 | E | 74.1 | Confident | 73.3 | Confident | 107 Ų | 107 | 50.9 Ų | 50.9 | 50% | 0.5 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.5 | -39.5 | 174.7 | -72.8 | 168 | -171.5 | 0 | 0 | 112 | Q790 K792 H798 | Q790-E794 WeakPolarHBondContact CG-OE1 3.34Å; Q790-E794 PolarHBondContact NE2-OE1 3.08Å; Q790-E794 WeakPolarHBondContact O-CB 3.39Å; Q790-E794 WeakPolarHBondContact O-CG 3.43Å; Q790-E794 PolarHBondContact O-N 2.62Å; K792-E794 VanDerWaalsContact C-N 3.31Å; K792-E794 PolarHBondContact O-N 3.15Å; E794-H798 PolarHBondContact O-N 3.38Å |
| 795 | S | 73.8 | Confident | 73.6 | Confident | 33 Ų | 33 | 47.4 Ų | 47.4 | 23% | 0.231 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.1 | -41.2 | 174.1 | -173.5 | 0 | 0 | 0 | 0 | 112.5 | D264 R791 K792 L793 H798 | D264-S795 PolarHBondContact OD1-OG 3.21Å; R791-S795 PolarHBondContact O-N 3.04Å; R791-S795 VanDerWaalsContact O-N 3.07Å; K792-S795 WeakPolarHBondContact O-CB 3.27Å; K792-S795 PolarHBondContact O-N 3.21Å; L793-S795 VanDerWaalsContact C-N 3.35Å; L793-S795 PolarHBondContact O-N 2.74Å; S795-H798 WeakPolarHBondContact O-CB 3.38Å; S795-H798 PolarHBondContact O-N 2.78Å |
| 796 | W | 67.7 | Low | 74 | Confident | 22 Ų | 22 | 47.1 Ų | 47.1 | 8% | 0.083 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -82 | -26.1 | 179.8 | -62.7 | -31.2 | 0 | 0 | 0 | 114.7 | L11 A14 I18 L260 K792 L793 H798 | L11-W796 VanDerWaalsContact CA-CZ3 3.44Å; L11-W796 HydrophobicContact CB-CE3 4.17Å; L11-W796 HydrophobicContact CB-CZ3 3.79Å; L11-W796 HydrophobicContact CD1-CE3 4.32Å; L11-W796 HydrophobicContact CD2-CE3 3.24Å; L11-W796 HydrophobicContact CD2-CZ3 3.2Å; L11-W796 HydrophobicContact CG-CE3 3.28Å; L11-W796 HydrophobicContact CG-CZ3 3.37Å; A14-W796 HydrophobicContact CB-CH2 2.89Å; A14-W796 HydrophobicContact CB-CZ2 3.18Å; A14-W796 HydrophobicContact CB-CZ3 3.85Å; I18-W796 HydrophobicContact CD1-CH2 3.24Å; I18-W796 HydrophobicContact CD1-CZ2 4.15Å; I18-W796 HydrophobicContact CD1-CZ3 3.75Å; I18-W796 HydrophobicContact CG1-CH2 4.2Å; L260-W796 HydrophobicContact CD2-CB 4.48Å; L260-W796 HydrophobicContact CD2-CD2 4.43Å; L260-W796 HydrophobicContact CD2-CG 3.99Å; K792-W796 HydrophobicContact CB-CH2 4.31Å; K792-W796 HydrophobicContact CB-CZ2 4.48Å; K792-W796 PolarHBondContact O-N 3.24Å; L793-W796 PolarHBondContact O-N 3.17Å; W796-H798 PolarHBondContact O-N 3.47Å |
| 797 | L | 73.9 | Confident | 74.6 | Confident | 58 Ų | 58 | 50.5 Ų | 50.5 | 30% | 0.304 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | 1.5 | 170.4 | -72.5 | 175 | 0 | 0 | 0 | 112.5 | Q4 L145 L793 A799 | Q4-L797 HydrophobicContact CG-CD2 4.47Å; L145-L797 HydrophobicContact CD1-CD1 3.76Å; L145-L797 HydrophobicContact CD1-CD2 4.48Å; L793-L797 HydrophobicContact CD1-CD1 3.67Å; L793-L797 HydrophobicContact CD1-CG 3.84Å; L793-L797 HydrophobicContact CD2-CD1 4.49Å; L793-L797 HydrophobicContact CG-CD1 3.77Å; L793-L797 HydrophobicContact CG-CG 4.32Å; L793-L797 VanDerWaalsContact O-CB 3.32Å; L793-L797 WeakPolarHBondContact O-CB 3.36Å; L793-L797 VanDerWaalsContact O-CG 3.27Å; L793-L797 WeakPolarHBondContact O-CG 3.4Å; L793-L797 PolarHBondContact O-N 3.05Å; L797-A799 PolarHBondContact O-N 3.33Å |
| 798 | H | 76.8 | Confident | 74.9 | Confident | 41 Ų | 41 | 45.2 Ų | 45.2 | 19% | 0.19 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -58.4 | 134.6 | 173.8 | -154.4 | 87.5 | 0 | 0 | 0 | 110.9 | Y267 E794 S795 W796 K800 Q801 V802 | Y267-H798 VanDerWaalsContact CB-CD2 3.41Å; Y267-H798 WeakPolarHBondContact CB-CD2 3.49Å; Y267-H798 AromaticContact CG-CD2 3.93Å; E794-H798 PolarHBondContact O-N 3.38Å; S795-H798 WeakPolarHBondContact O-CB 3.38Å; S795-H798 PolarHBondContact O-N 2.78Å; W796-H798 PolarHBondContact O-N 3.47Å; H798-K800 VanDerWaalsContact C-N 3.27Å; H798-K800 PolarHBondContact O-N 2.97Å; H798-K800 VanDerWaalsContact O-N 3.11Å; H798-Q801 PolarHBondContact O-N 3.22Å; H798-V802 PolarHBondContact O-N 2.8Å; H798-V802 VanDerWaalsContact O-N 3.11Å |
| 799 | A | 77.5 | Confident | 75.4 | Confident | 17 Ų | 17 | 44.2 Ų | 44.2 | 14% | 0.14 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -51.5 | -43.5 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | P89 V92 L797 Q801 V802 A803 | P89-A799 HydrophobicContact CB-CB 3.81Å; P89-A799 HydrophobicContact CG-CB 3.82Å; V92-A799 HydrophobicContact CG2-CB 4Å; V92-A799 VanDerWaalsContact CG2-O 3.25Å; V92-A799 WeakPolarHBondContact CG2-O 3.46Å; L797-A799 PolarHBondContact O-N 3.33Å; A799-Q801 PolarHBondContact O-N 3.31Å; A799-V802 PolarHBondContact O-N 3.1Å; A799-A803 WeakPolarHBondContact O-CB 3.29Å; A799-A803 PolarHBondContact O-N 3.4Å |
| 800 | K | 81 | Confident | 76.1 | Confident | 75 Ų | 75 | 49.4 Ų | 49.4 | 33% | 0.326 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.3 | -36.8 | -180 | -67.7 | -176.8 | -179.2 | 172.9 | 0 | 113.5 | Y267 E271 H798 A803 Q804 | Y267-K800 HydrophobicContact CD1-CB 3.64Å; Y267-K800 HydrophobicContact CD1-CD 4.22Å; Y267-K800 HydrophobicContact CE1-CB 4.26Å; Y267-K800 HydrophobicContact CG-CB 4.44Å; Y267-K800 WeakPolarHBondContact O-CD 3.41Å; Y267-K800 WeakPolarHBondContact O-CE 3.19Å; Y267-K800 PolarHBondContact O-NZ 3.49Å; E271-K800 WeakPolarHBondContact OE1-CE 3.33Å; H798-K800 VanDerWaalsContact C-N 3.27Å; H798-K800 PolarHBondContact O-N 2.97Å; H798-K800 VanDerWaalsContact O-N 3.11Å; K800-A803 PolarHBondContact O-N 3.18Å; K800-Q804 WeakPolarHBondContact O-CB 3.27Å; K800-Q804 PolarHBondContact O-N 2.86Å |
| 801 | Q | 75.9 | Confident | 76.7 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 1% | 0.014 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -71.6 | -42.3 | 177.8 | -170.9 | 66.3 | -1.9 | 0 | 0 | 110.8 | G259 L260 Y267 H798 A799 A803 Q804 C805 | G259-Q801 PolarHBondContact O-NE2 3.49Å; G259-Q801 VanDerWaalsContact O-NE2 3.12Å; L260-Q801 HydrophobicContact CD2-CG 4.18Å; Y267-Q801 HydrophobicContact CE1-CB 4.41Å; Y267-Q801 VanDerWaalsContact OH-CD 3.31Å; Y267-Q801 PolarHBondContact OH-OE1 3.35Å; H798-Q801 PolarHBondContact O-N 3.22Å; A799-Q801 PolarHBondContact O-N 3.31Å; Q801-A803 VanDerWaalsContact C-N 3.31Å; Q801-A803 PolarHBondContact O-N 3.44Å; Q801-Q804 WeakPolarHBondContact O-CB 3.36Å; Q801-Q804 PolarHBondContact O-N 3.1Å; Q801-Q804 VanDerWaalsContact O-N 3.15Å; Q801-C805 PolarHBondContact O-N 2.62Å; Q801-C805 PolarHBondContact O-SG 3.11Å; Q801-C805 VanDerWaalsContact O-SG 3.41Å |
| 802 | V | 78.9 | Confident | 76.9 | Confident | 15 Ų | 15 | 40.7 Ų | 40.7 | 9% | 0.091 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.8 | -45.5 | 172.8 | 177.9 | 0 | 0 | 0 | 0 | 110.5 | V92 H798 A799 Q804 C805 I806 | V92-V802 HydrophobicContact CG1-CG1 4.36Å; V92-V802 HydrophobicContact CG2-CB 4.33Å; V92-V802 HydrophobicContact CG2-CG1 4.36Å; H798-V802 PolarHBondContact O-N 2.8Å; H798-V802 VanDerWaalsContact O-N 3.11Å; A799-V802 PolarHBondContact O-N 3.1Å; V802-Q804 VanDerWaalsContact C-N 3.32Å; V802-Q804 PolarHBondContact O-N 3.17Å; V802-C805 PolarHBondContact O-N 3.37Å; V802-I806 HydrophobicContact CG1-CD1 4.01Å; V802-I806 VanDerWaalsContact O-CG1 3.31Å; V802-I806 WeakPolarHBondContact O-CG1 3.45Å; V802-I806 PolarHBondContact O-N 2.67Å |
| 803 | A | 80 | Confident | 77.4 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.8 | -36.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | S91 V92 A95 A799 K800 Q801 I806 R807 | S91-A803 VanDerWaalsContact O-CB 3.25Å; S91-A803 WeakPolarHBondContact O-CB 3.47Å; V92-A803 HydrophobicContact CG2-CB 4.37Å; A95-A803 HydrophobicContact CB-CB 4.14Å; A799-A803 WeakPolarHBondContact O-CB 3.29Å; A799-A803 PolarHBondContact O-N 3.4Å; K800-A803 PolarHBondContact O-N 3.18Å; Q801-A803 VanDerWaalsContact C-N 3.31Å; Q801-A803 PolarHBondContact O-N 3.44Å; A803-I806 PolarHBondContact O-N 3.11Å; A803-R807 WeakPolarHBondContact O-CG 3.3Å; A803-R807 PolarHBondContact O-N 3.08Å; A803-R807 PolarHBondContact O-NE 3.03Å |
| 804 | Q | 80.8 | Confident | 77.9 | Confident | 66 Ų | 66 | 39.6 Ų | 39.6 | 31% | 0.308 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -65.6 | -44.8 | 173.3 | -176.1 | 172.7 | -6.9 | 0 | 0 | 111.6 | K800 Q801 V802 I806 R807 L808 | K800-Q804 WeakPolarHBondContact O-CB 3.27Å; K800-Q804 PolarHBondContact O-N 2.86Å; Q801-Q804 WeakPolarHBondContact O-CB 3.36Å; Q801-Q804 PolarHBondContact O-N 3.1Å; Q801-Q804 VanDerWaalsContact O-N 3.15Å; V802-Q804 VanDerWaalsContact C-N 3.32Å; V802-Q804 PolarHBondContact O-N 3.17Å; Q804-I806 VanDerWaalsContact C-N 3.32Å; Q804-I806 PolarHBondContact O-N 3.14Å; Q804-R807 PolarHBondContact O-N 2.92Å; Q804-L808 WeakPolarHBondContact O-CG 3.32Å; Q804-L808 PolarHBondContact O-N 3.44Å |
| 805 | C | 74.7 | Confident | 77.8 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 3% | 0.027 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60 | -41 | 175.1 | -68.3 | 0 | 0 | 0 | 0 | 112.2 | A3 Q801 V802 L808 L809 | A3-C805 HydrophobicContact CB-CB 3.81Å; Q801-C805 PolarHBondContact O-N 2.62Å; Q801-C805 PolarHBondContact O-SG 3.11Å; Q801-C805 VanDerWaalsContact O-SG 3.41Å; V802-C805 PolarHBondContact O-N 3.37Å; C805-L808 PolarHBondContact O-N 3.08Å; C805-L809 WeakPolarHBondContact O-CG 3.46Å; C805-L809 PolarHBondContact O-N 3.36Å |
| 806 | I | 77.4 | Confident | 77.4 | Confident | 11 Ų | 11 | 38.9 Ų | 38.9 | 6% | 0.056 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.4 | -42.8 | 175.8 | -64.8 | 167.8 | 0 | 0 | 0 | 111.2 | A3 V92 A95 L96 L99 V802 A803 Q804 L808 L809 R810 | A3-I806 HydrophobicContact CB-CB 4.5Å; A3-I806 HydrophobicContact CB-CG1 3.49Å; A3-I806 VanDerWaalsContact CB-CG1 3.49Å; V92-I806 HydrophobicContact CG1-CD1 4.06Å; A95-I806 VanDerWaalsContact C-CG2 3.41Å; A95-I806 HydrophobicContact CB-CB 3.93Å; A95-I806 HydrophobicContact CB-CG2 3.79Å; A95-I806 WeakPolarHBondContact O-CG2 3.42Å; L96-I806 HydrophobicContact CB-CD1 4.47Å; L99-I806 HydrophobicContact CB-CG2 4.04Å; L99-I806 HydrophobicContact CD2-CG2 3.95Å; V802-I806 HydrophobicContact CG1-CD1 4.01Å; V802-I806 VanDerWaalsContact O-CG1 3.31Å; V802-I806 WeakPolarHBondContact O-CG1 3.45Å; V802-I806 PolarHBondContact O-N 2.67Å; A803-I806 PolarHBondContact O-N 3.11Å; Q804-I806 VanDerWaalsContact C-N 3.32Å; Q804-I806 PolarHBondContact O-N 3.14Å; I806-L808 VanDerWaalsContact C-N 3.34Å; I806-L808 PolarHBondContact O-N 3.06Å; I806-L809 WeakPolarHBondContact O-CB 3.47Å; I806-L809 PolarHBondContact O-N 3.04Å; I806-R810 PolarHBondContact O-N 2.75Å |
| 807 | R | 84.5 | Confident | 76.9 | Confident | 127 Ų | 127 | 39.2 Ų | 39.2 | 48% | 0.479 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.1 | -40.4 | 176 | -76.7 | -178.4 | -72.8 | 162.6 | -3 | 112.4 | A95 A803 Q804 L809 R810 E811 | A95-R807 HydrophobicContact CB-CG 4.07Å; A803-R807 WeakPolarHBondContact O-CG 3.3Å; A803-R807 PolarHBondContact O-N 3.08Å; A803-R807 PolarHBondContact O-NE 3.03Å; Q804-R807 PolarHBondContact O-N 2.92Å; R807-L809 PolarHBondContact O-N 3.32Å; R807-R810 WeakPolarHBondContact O-CB 3.44Å; R807-R810 PolarHBondContact O-N 3.01Å; R807-E811 WeakPolarHBondContact O-CG 3.35Å; R807-E811 PolarHBondContact O-N 3.48Å |
| 808 | L | 77.9 | Confident | 76 | Confident | 19 Ų | 19 | 42.4 Ų | 42.4 | 10% | 0.099 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.4 | -41.9 | 174.5 | -70.4 | 175.3 | 0 | 0 | 0 | 112 | R255 V256 Q804 C805 I806 R810 E811 V812 | R255-L808 HydrophobicContact CB-CD1 4.16Å; R255-L808 HydrophobicContact CB-CD2 3.9Å; R255-L808 HydrophobicContact CG-CD2 4.41Å; V256-L808 HydrophobicContact CG2-CD1 3.84Å; Q804-L808 WeakPolarHBondContact O-CG 3.32Å; Q804-L808 PolarHBondContact O-N 3.44Å; C805-L808 PolarHBondContact O-N 3.08Å; I806-L808 VanDerWaalsContact C-N 3.34Å; I806-L808 PolarHBondContact O-N 3.06Å; L808-R810 VanDerWaalsContact C-N 3.32Å; L808-R810 PolarHBondContact O-N 3.21Å; L808-E811 PolarHBondContact O-N 3.46Å; L808-V812 WeakPolarHBondContact O-CG2 3.41Å; L808-V812 PolarHBondContact O-N 3.17Å; L808-V812 VanDerWaalsContact O-N 3.08Å |
| 809 | L | 77.7 | Confident | 74.7 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.6 | -46 | 173.5 | -70.7 | 170.1 | 0 | 0 | 0 | 110.8 | I2 A3 V6 L99 C805 I806 R807 E811 V812 V813 | I2-L809 HydrophobicContact CB-CD1 4.4Å; I2-L809 HydrophobicContact CG2-CD1 3.85Å; I2-L809 HydrophobicContact CG2-CD2 4.03Å; A3-L809 HydrophobicContact CB-CD1 3.86Å; V6-L809 HydrophobicContact CG2-CD2 4.47Å; L99-L809 HydrophobicContact CD1-CB 4.45Å; L99-L809 HydrophobicContact CD2-CB 4.41Å; C805-L809 WeakPolarHBondContact O-CG 3.46Å; C805-L809 PolarHBondContact O-N 3.36Å; I806-L809 WeakPolarHBondContact O-CB 3.47Å; I806-L809 PolarHBondContact O-N 3.04Å; R807-L809 PolarHBondContact O-N 3.32Å; L809-E811 PolarHBondContact O-N 2.62Å; L809-V812 PolarHBondContact O-N 3.37Å; L809-V813 WeakPolarHBondContact O-CB 3.37Å; L809-V813 VanDerWaalsContact O-CG2 3.25Å; L809-V813 WeakPolarHBondContact O-CG2 3.37Å; L809-V813 PolarHBondContact O-N 3.4Å |
| 810 | R | 84.1 | Confident | 73.2 | Confident | 109 Ų | 109 | 49.4 Ų | 49.4 | 41% | 0.411 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -58.4 | -47.3 | 176.9 | 179.7 | -165 | 166.5 | -139.5 | -0.3 | 111.9 | S98 L99 L102 I806 R807 L808 V812 V813 A814 | S98-R810 WeakPolarHBondContact OG-CD 3.45Å; S98-R810 PolarHBondContact OG-NE 3.16Å; S98-R810 PolarHBondContact OG-NH1 3.01Å; L99-R810 HydrophobicContact CB-CB 4.25Å; L99-R810 HydrophobicContact CD1-CB 4.01Å; L102-R810 HydrophobicContact CD2-CG 3.81Å; L102-R810 WeakPolarHBondContact CD2-O 3.42Å; I806-R810 PolarHBondContact O-N 2.75Å; R807-R810 WeakPolarHBondContact O-CB 3.44Å; R807-R810 PolarHBondContact O-N 3.01Å; L808-R810 VanDerWaalsContact C-N 3.32Å; L808-R810 PolarHBondContact O-N 3.21Å; R810-V812 VanDerWaalsContact C-N 3.33Å; R810-V812 PolarHBondContact O-N 2.98Å; R810-V813 PolarHBondContact O-N 3.19Å; R810-A814 WeakPolarHBondContact O-CB 3.3Å; R810-A814 PolarHBondContact O-N 3.42Å |
| 811 | E | 83.5 | Confident | 71.4 | Confident | 82 Ų | 82 | 54.6 Ų | 54.6 | 38% | 0.383 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.2 | -45.1 | 178.9 | -74.2 | 171.3 | -165.6 | 0 | 0 | 111.7 | R255 R807 L808 L809 A814 I815 | R255-E811 IonicContact CZ-OE2 2.66Å; R255-E811 IonicContact NH1-OE2 3.44Å; R255-E811 PolarHBondContact NH1-OE2 2.97Å; R807-E811 WeakPolarHBondContact O-CG 3.35Å; R807-E811 PolarHBondContact O-N 3.48Å; L808-E811 PolarHBondContact O-N 3.46Å; L809-E811 PolarHBondContact O-N 2.62Å; E811-A814 WeakPolarHBondContact O-CB 3.47Å; E811-A814 PolarHBondContact O-N 3.05Å; E811-I815 WeakPolarHBondContact O-CD1 3.48Å; E811-I815 VanDerWaalsContact O-CG1 3.26Å; E811-I815 WeakPolarHBondContact O-CG1 3.42Å; E811-I815 PolarHBondContact O-N 3.43Å |
| 812 | V | 76.4 | Confident | 70.1 | Confident | 6 Ų | 6 | 57 Ų | 57 | 4% | 0.036 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70.2 | -39.3 | 179.8 | 178.9 | 0 | 0 | 0 | 0 | 111 | T246 N249 C252 L808 L809 R810 A814 I815 S816 | T246-V812 HydrophobicContact CG2-CB 4.01Å; T246-V812 HydrophobicContact CG2-CG1 3.59Å; N249-V812 HydrophobicContact CB-CG1 4.01Å; C252-V812 HydrophobicContact CB-CB 4.38Å; C252-V812 HydrophobicContact CB-CG1 4.16Å; C252-V812 HydrophobicContact CB-CG2 3.77Å; L808-V812 WeakPolarHBondContact O-CG2 3.41Å; L808-V812 PolarHBondContact O-N 3.17Å; L808-V812 VanDerWaalsContact O-N 3.08Å; L809-V812 PolarHBondContact O-N 3.37Å; R810-V812 VanDerWaalsContact C-N 3.33Å; R810-V812 PolarHBondContact O-N 2.98Å; V812-A814 VanDerWaalsContact C-N 3.32Å; V812-A814 PolarHBondContact O-N 3.18Å; V812-I815 PolarHBondContact O-N 2.97Å; V812-S816 WeakPolarHBondContact O-CB 3.47Å; V812-S816 PolarHBondContact O-N 2.93Å; V812-S816 PolarHBondContact O-OG 3.21Å |
| 813 | V | 78.3 | Confident | 68.9 | Low | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.6 | -50 | 171.4 | 172.7 | 0 | 0 | 0 | 0 | 108.2 | L99 L102 K106 P242 T246 L809 R810 I815 S816 A817 | L99-V813 HydrophobicContact CD1-CG2 4.21Å; L102-V813 HydrophobicContact CD2-CB 3.93Å; L102-V813 HydrophobicContact CD2-CG1 3.63Å; L102-V813 HydrophobicContact CG-CG1 4Å; K106-V813 HydrophobicContact CD-CG1 3.99Å; K106-V813 PolarHBondContact NZ-O 2.65Å; P242-V813 HydrophobicContact CB-CG2 4.49Å; T246-V813 HydrophobicContact CG2-CB 4.23Å; T246-V813 HydrophobicContact CG2-CG2 3.4Å; T246-V813 VanDerWaalsContact CG2-CG2 3.4Å; L809-V813 WeakPolarHBondContact O-CB 3.37Å; L809-V813 VanDerWaalsContact O-CG2 3.25Å; L809-V813 WeakPolarHBondContact O-CG2 3.37Å; L809-V813 PolarHBondContact O-N 3.4Å; R810-V813 PolarHBondContact O-N 3.19Å; V813-I815 PolarHBondContact O-N 3.28Å; V813-S816 PolarHBondContact O-N 3.06Å; V813-S816 PolarHBondContact O-OG 3.38Å; V813-A817 PolarHBondContact O-N 2.97Å |
| 814 | A | 81.8 | Confident | 68.3 | Low | 32 Ų | 32 | 64.7 Ų | 64.7 | 26% | 0.264 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -56.4 | -50.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112 | L102 R810 E811 V812 S816 A817 D818 | L102-A814 HydrophobicContact CD2-CB 3.88Å; R810-A814 WeakPolarHBondContact O-CB 3.3Å; R810-A814 PolarHBondContact O-N 3.42Å; E811-A814 WeakPolarHBondContact O-CB 3.47Å; E811-A814 PolarHBondContact O-N 3.05Å; V812-A814 VanDerWaalsContact C-N 3.32Å; V812-A814 PolarHBondContact O-N 3.18Å; A814-S816 VanDerWaalsContact C-N 3.33Å; A814-S816 PolarHBondContact O-N 3.41Å; A814-A817 WeakPolarHBondContact O-CB 3.47Å; A814-A817 PolarHBondContact O-N 3.29Å; A814-D818 PolarHBondContact O-N 2.75Å |
| 815 | I | 71.4 | Confident | 68.2 | Low | 56 Ų | 56 | 68.3 Ų | 68.3 | 29% | 0.287 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.2 | -42 | 179.5 | -65.2 | 160.4 | 0 | 0 | 0 | 111.8 | E811 V812 V813 A817 D818 M822 | E811-I815 WeakPolarHBondContact O-CD1 3.48Å; E811-I815 VanDerWaalsContact O-CG1 3.26Å; E811-I815 WeakPolarHBondContact O-CG1 3.42Å; E811-I815 PolarHBondContact O-N 3.43Å; V812-I815 PolarHBondContact O-N 2.97Å; V813-I815 PolarHBondContact O-N 3.28Å; I815-A817 PolarHBondContact O-N 2.74Å; I815-D818 PolarHBondContact O-N 2.84Å; I815-M822 HydrophobicContact CD1-SD 3.96Å; I815-M822 HydrophobicContact CG2-CG 3.87Å; I815-M822 HydrophobicContact CG2-SD 4.28Å |
| 816 | S | 65.7 | Low | 68.4 | Low | 70 Ų | 70 | 70 Ų | 70 | 49% | 0.49 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.9 | -17.1 | 177.4 | 67.3 | 0 | 0 | 0 | 0 | 114.1 | V812 V813 A814 | V812-S816 WeakPolarHBondContact O-CB 3.47Å; V812-S816 PolarHBondContact O-N 2.93Å; V812-S816 PolarHBondContact O-OG 3.21Å; V813-S816 PolarHBondContact O-N 3.06Å; V813-S816 PolarHBondContact O-OG 3.38Å; A814-S816 VanDerWaalsContact C-N 3.33Å; A814-S816 PolarHBondContact O-N 3.41Å |
| 817 | A | 57.6 | Low | 68.5 | Low | 29 Ų | 29 | 71.5 Ų | 71.5 | 24% | 0.24 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -79.9 | -42.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | K106 H718 V813 A814 I815 G819 | K106-A817 HydrophobicContact CD-CB 4.29Å; H718-A817 PolarHBondContact CE1-O 2.92Å; V813-A817 PolarHBondContact O-N 2.97Å; A814-A817 WeakPolarHBondContact O-CB 3.47Å; A814-A817 PolarHBondContact O-N 3.29Å; I815-A817 PolarHBondContact O-N 2.74Å; A817-G819 PolarHBondContact O-N 2.82Å |
| 818 | D | 54.2 | Low | 68.5 | Low | 125 Ų | 125 | 69.4 Ų | 69.4 | 67% | 0.668 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -5.4 | -169.5 | -66.4 | -24 | 0 | 0 | 0 | 112.3 | A814 I815 M820 | A814-D818 PolarHBondContact O-N 2.75Å; I815-D818 PolarHBondContact O-N 2.84Å; D818-M820 HydrophobicContact CB-CB 3.95Å; D818-M820 PolarHBondContact O-N 3.42Å |
| 819 | G | 50.4 | Low | 68.9 | Low | 62 Ų | 62 | 74.2 Ų | 74.2 | 64% | 0.639 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 11.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A817 E821 | A817-G819 PolarHBondContact O-N 2.82Å; G819-E821 PolarHBondContact O-N 3.47Å |
| 820 | M | 45.4 | Very low | 69.4 | Low | 143 Ų | 143 | 75.8 Ų | 75.8 | 70% | 0.704 | 43% | 0.425 | S | S | * | . | trans | -77.4 | 103 | -172.7 | -156.6 | 166.4 | 172.8 | 0 | 0 | 105.2 | D818 M822 | D818-M820 HydrophobicContact CB-CB 3.95Å; D818-M820 PolarHBondContact O-N 3.42Å; M820-M822 PolarHBondContact O-N 2.84Å | ||
| 821 | E | 42.2 | Very low | 69.5 | Low | 183 Ų | 183 | 71.2 Ų | 71.2 | 86% | 0.855 | 41% | 0.411 | S | S | * | . | trans | -50.8 | 106.1 | 169.1 | -65 | 179.5 | 170.1 | 0 | 0 | 106.7 | G819 S823 | G819-E821 PolarHBondContact O-N 3.47Å; E821-S823 PolarHBondContact O-N 2.8Å | ||
| 822 | M | 48.5 | Very low | 69.8 | Low | 54 Ų | 54 | 72.9 Ų | 72.9 | 27% | 0.266 | 42% | 0.419 | S | S | . | . | trans | -57.3 | 139.6 | 165.4 | -71.2 | -143 | -39.7 | 0 | 0 | 106.7 | N251 I815 M820 C824 D827 | N251-M822 WeakPolarHBondContact ND2-CE 3.42Å; I815-M822 HydrophobicContact CD1-SD 3.96Å; I815-M822 HydrophobicContact CG2-CG 3.87Å; I815-M822 HydrophobicContact CG2-SD 4.28Å; M820-M822 PolarHBondContact O-N 2.84Å; M822-C824 PolarHBondContact O-N 2.98Å; M822-D827 WeakPolarHBondContact CE-OD1 3.46Å | ||
| 823 | S | 55.2 | Low | 70.4 | Confident | 74 Ų | 74 | 77.7 Ų | 77.7 | 52% | 0.517 | 44% | 0.437 | S | S | . | . | trans | -52.7 | 122.9 | 176 | 51.5 | 0 | 0 | 0 | 0 | 108.1 | E821 E825 A826 D827 | E821-S823 PolarHBondContact O-N 2.8Å; S823-E825 PolarHBondContact O-N 3.46Å; S823-A826 PolarHBondContact O-N 3.09Å; S823-A826 WeakPolarHBondContact OG-CB 3.28Å; S823-D827 PolarHBondContact O-N 3.25Å | ||
| 824 | C | 67.4 | Low | 70.7 | Confident | 104 Ų | 104 | 77.7 Ų | 77.7 | 70% | 0.703 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -53.5 | -23.5 | 179.8 | -62.1 | 0 | 0 | 0 | 0 | 112.1 | M822 V828 | M822-C824 PolarHBondContact O-N 2.98Å; C824-V828 WeakPolarHBondContact O-CG2 3.5Å; C824-V828 PolarHBondContact O-N 3.39Å |
| 825 | E | 77.5 | Confident | 71 | Confident | 142 Ų | 142 | 80.5 Ų | 80.5 | 66% | 0.664 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -67.7 | -46.8 | 175.2 | -167.7 | 166.5 | -155.4 | 0 | 0 | 113.1 | S823 D827 V828 E829 | S823-E825 PolarHBondContact O-N 3.46Å; E825-D827 VanDerWaalsContact C-N 3.27Å; E825-D827 PolarHBondContact O-N 3.31Å; E825-V828 PolarHBondContact O-N 3.33Å; E825-E829 WeakPolarHBondContact O-CG 3.33Å; E825-E829 PolarHBondContact O-N 3.01Å |
| 826 | A | 79.9 | Confident | 71.8 | Confident | 40 Ų | 40 | 83 Ų | 83 | 33% | 0.331 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.4 | -33 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S823 L830 | S823-A826 PolarHBondContact O-N 3.09Å; S823-A826 WeakPolarHBondContact OG-CB 3.28Å; A826-L830 WeakPolarHBondContact O-CB 3.31Å; A826-L830 PolarHBondContact O-N 3.18Å |
| 827 | D | 78.7 | Confident | 72.7 | Confident | 42 Ų | 42 | 83.1 Ų | 83.1 | 23% | 0.225 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -65.8 | -44.4 | 175.2 | -73.5 | -6.8 | 0 | 0 | 0 | 111.9 | N251 M822 S823 E825 L830 A831 | N251-D827 PolarHBondContact ND2-OD1 3.16Å; N251-D827 PolarHBondContact ND2-OD2 3.15Å; N251-D827 PolarHBondContact OD1-OD1 3.49Å; M822-D827 WeakPolarHBondContact CE-OD1 3.46Å; S823-D827 PolarHBondContact O-N 3.25Å; E825-D827 VanDerWaalsContact C-N 3.27Å; E825-D827 PolarHBondContact O-N 3.31Å; D827-L830 PolarHBondContact O-N 2.93Å; D827-A831 WeakPolarHBondContact O-CB 3.44Å; D827-A831 PolarHBondContact O-N 3.29Å |
| 828 | V | 84.1 | Confident | 73.9 | Confident | 82 Ų | 82 | 83 Ų | 83 | 50% | 0.497 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.5 | -45.2 | 177.1 | 172.2 | 0 | 0 | 0 | 0 | 110.2 | C824 E825 L830 A831 E832 | C824-V828 WeakPolarHBondContact O-CG2 3.5Å; C824-V828 PolarHBondContact O-N 3.39Å; E825-V828 PolarHBondContact O-N 3.33Å; V828-L830 VanDerWaalsContact C-N 3.34Å; V828-L830 PolarHBondContact O-N 2.82Å; V828-A831 PolarHBondContact O-N 2.63Å; V828-E832 WeakPolarHBondContact O-CG 3.42Å; V828-E832 PolarHBondContact O-N 2.98Å |
| 829 | E | 87.4 | Confident | 75.4 | Confident | 120 Ų | 120 | 78.9 Ų | 78.9 | 56% | 0.561 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -59.5 | -43.1 | 176 | -73.4 | -177.9 | 175.2 | 0 | 0 | 112.3 | E825 E832 Y833 | E825-E829 WeakPolarHBondContact O-CG 3.33Å; E825-E829 PolarHBondContact O-N 3.01Å; E829-E832 PolarHBondContact O-N 3.33Å; E829-Y833 VanDerWaalsContact O-CB 3.31Å; E829-Y833 WeakPolarHBondContact O-CB 3.47Å; E829-Y833 PolarHBondContact O-N 3.06Å |
| 830 | L | 87 | Confident | 76.9 | Confident | 36 Ų | 36 | 81 Ų | 81 | 19% | 0.188 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -66.2 | -40.1 | 177.8 | 178 | 63.6 | 0 | 0 | 0 | 111.9 | N251 N254 R255 A826 D827 V828 Y833 A834 | N251-L830 HydrophobicContact CB-CD2 4.14Å; N254-L830 HydrophobicContact CB-CD2 4.21Å; N254-L830 HydrophobicContact CB-CG 3.97Å; R255-L830 HydrophobicContact CG-CD1 4.33Å; R255-L830 HydrophobicContact CG-CD2 3.83Å; A826-L830 WeakPolarHBondContact O-CB 3.31Å; A826-L830 PolarHBondContact O-N 3.18Å; D827-L830 PolarHBondContact O-N 2.93Å; V828-L830 VanDerWaalsContact C-N 3.34Å; V828-L830 PolarHBondContact O-N 2.82Å; L830-Y833 PolarHBondContact O-N 3.03Å; L830-A834 WeakPolarHBondContact O-CB 3.4Å; L830-A834 PolarHBondContact O-N 2.72Å |
| 831 | A | 86.9 | Confident | 78.5 | Confident | 14 Ų | 14 | 75.9 Ų | 75.9 | 12% | 0.116 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.5 | -44.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | D827 V828 Y833 A834 R835 H866 | D827-A831 WeakPolarHBondContact O-CB 3.44Å; D827-A831 PolarHBondContact O-N 3.29Å; V828-A831 PolarHBondContact O-N 2.63Å; A831-Y833 PolarHBondContact O-N 3.29Å; A831-A834 PolarHBondContact O-N 3.05Å; A831-R835 WeakPolarHBondContact O-CB 3.42Å; A831-R835 PolarHBondContact O-N 3.34Å; A831-H866 PolarHBondContact O-NE2 3.13Å; A831-H866 VanDerWaalsContact O-NE2 3.1Å |
| 832 | E | 88.8 | Confident | 80 | Confident | 117 Ų | 117 | 67.4 Ų | 67.4 | 55% | 0.547 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.6 | -42.1 | 175 | -73.6 | -170 | 173.4 | 0 | 0 | 112 | V828 E829 R835 L836 | V828-E832 WeakPolarHBondContact O-CG 3.42Å; V828-E832 PolarHBondContact O-N 2.98Å; E829-E832 PolarHBondContact O-N 3.33Å; E832-R835 WeakPolarHBondContact O-CB 3.46Å; E832-R835 PolarHBondContact O-N 2.98Å; E832-L836 VanDerWaalsContact O-CG 3.31Å; E832-L836 WeakPolarHBondContact O-CG 3.27Å; E832-L836 PolarHBondContact O-N 2.79Å |
| 833 | Y | 89 | Confident | 81.2 | Confident | 106 Ų | 106 | 66.8 Ų | 66.8 | 42% | 0.416 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 174.9 | 179.2 | -104.4 | 0 | 0 | 0 | 111.9 | C258 E829 L830 A831 R835 L836 R837 | C258-Y833 HydrophobicContact CB-CE1 4.16Å; C258-Y833 WeakPolarHBondContact SG-CD1 3.37Å; E829-Y833 VanDerWaalsContact O-CB 3.31Å; E829-Y833 WeakPolarHBondContact O-CB 3.47Å; E829-Y833 PolarHBondContact O-N 3.06Å; L830-Y833 PolarHBondContact O-N 3.03Å; A831-Y833 PolarHBondContact O-N 3.29Å; Y833-R835 PolarHBondContact O-N 3.48Å; Y833-L836 PolarHBondContact O-N 2.8Å; Y833-R837 HydrophobicContact CD1-CG 4.36Å; Y833-R837 HydrophobicContact CE1-CG 3.93Å; Y833-R837 HydrophobicContact CE2-CG 4.14Å; Y833-R837 WeakPolarHBondContact O-CB 3.28Å; Y833-R837 WeakPolarHBondContact O-CG 3.45Å; Y833-R837 PolarHBondContact O-N 2.71Å; Y833-R837 PolarHBondContact OH-NE 2.94Å; Y833-R837 PolarHBondContact OH-NH2 3.39Å; Y833-R837 VanDerWaalsContact OH-NH2 3.12Å |
| 834 | A | 85.4 | Confident | 81.9 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | N254 L830 A831 L836 R837 I838 | N254-A834 HydrophobicContact CB-CB 3.96Å; L830-A834 WeakPolarHBondContact O-CB 3.4Å; L830-A834 PolarHBondContact O-N 2.72Å; A831-A834 PolarHBondContact O-N 3.05Å; A834-L836 PolarHBondContact O-N 3.28Å; A834-R837 PolarHBondContact O-N 3.41Å; A834-I838 VanDerWaalsContact O-CG1 3.24Å; A834-I838 WeakPolarHBondContact O-CG1 3.26Å; A834-I838 PolarHBondContact O-N 3.25Å |
| 835 | R | 87.3 | Confident | 81.9 | Confident | 92 Ų | 92 | 65.6 Ų | 65.6 | 35% | 0.347 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -55.9 | -50.4 | 174 | -170.5 | -174.5 | 113.6 | 106.5 | 3.4 | 111.5 | A831 E832 Y833 R837 I838 H839 D863 | A831-R835 WeakPolarHBondContact O-CB 3.42Å; A831-R835 PolarHBondContact O-N 3.34Å; E832-R835 WeakPolarHBondContact O-CB 3.46Å; E832-R835 PolarHBondContact O-N 2.98Å; Y833-R835 PolarHBondContact O-N 3.48Å; R835-R837 VanDerWaalsContact C-N 3.34Å; R835-R837 PolarHBondContact O-N 2.85Å; R835-I838 PolarHBondContact O-N 2.86Å; R835-H839 PolarHBondContact O-CD2 3.22Å; R835-H839 VanDerWaalsContact O-CD2 3.24Å; R835-H839 PolarHBondContact O-N 3.05Å; R835-D863 IonicContact CZ-OD1 2.89Å; R835-D863 IonicContact CZ-OD2 3.68Å; R835-D863 IonicContact NH1-OD1 3.9Å; R835-D863 PolarHBondContact NH1-OD1 3.31Å; R835-D863 IonicContact NH1-OD2 2.83Å; R835-D863 PolarHBondContact NH1-OD2 2.99Å |
| 836 | L | 89.2 | Confident | 81.2 | Confident | 108 Ų | 108 | 59.2 Ų | 59.2 | 57% | 0.565 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -61.6 | -41.2 | 179.2 | -71.7 | 173.2 | 0 | 0 | 0 | 111.9 | E832 Y833 A834 H839 E840 | E832-L836 VanDerWaalsContact O-CG 3.31Å; E832-L836 WeakPolarHBondContact O-CG 3.27Å; E832-L836 PolarHBondContact O-N 2.79Å; Y833-L836 PolarHBondContact O-N 2.8Å; A834-L836 PolarHBondContact O-N 3.28Å; L836-H839 PolarHBondContact O-N 3.47Å; L836-E840 WeakPolarHBondContact O-CB 3.39Å; L836-E840 PolarHBondContact O-N 3.12Å |
| 837 | R | 84.1 | Confident | 80.2 | Confident | 72 Ų | 72 | 59 Ų | 59 | 27% | 0.272 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.1 | -41.3 | 175.5 | -78.3 | -60.3 | -165 | 177.3 | 6.9 | 112.8 | Y833 A834 R835 H839 E840 F841 | Y833-R837 HydrophobicContact CD1-CG 4.36Å; Y833-R837 HydrophobicContact CE1-CG 3.93Å; Y833-R837 HydrophobicContact CE2-CG 4.14Å; Y833-R837 WeakPolarHBondContact O-CB 3.28Å; Y833-R837 WeakPolarHBondContact O-CG 3.45Å; Y833-R837 PolarHBondContact O-N 2.71Å; Y833-R837 PolarHBondContact OH-NE 2.94Å; Y833-R837 PolarHBondContact OH-NH2 3.39Å; Y833-R837 VanDerWaalsContact OH-NH2 3.12Å; A834-R837 PolarHBondContact O-N 3.41Å; R835-R837 VanDerWaalsContact C-N 3.34Å; R835-R837 PolarHBondContact O-N 2.85Å; R837-H839 VanDerWaalsContact C-N 3.3Å; R837-H839 PolarHBondContact O-N 3.22Å; R837-E840 WeakPolarHBondContact CD-OE2 3.32Å; R837-E840 IonicContact CZ-OE2 3.03Å; R837-E840 IonicContact NE-OE2 2.8Å; R837-E840 IonicContact NH1-OE1 3.2Å; R837-E840 IonicContact NH1-OE2 3.11Å; R837-E840 PolarHBondContact NH1-OE2 2.71Å; R837-E840 PolarHBondContact O-N 3.4Å; R837-F841 WeakPolarHBondContact O-CB 3.39Å; R837-F841 PolarHBondContact O-N 3.49Å |
| 838 | I | 83.3 | Confident | 79.2 | Confident | 27 Ų | 27 | 59.1 Ų | 59.1 | 14% | 0.138 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.2 | -44.4 | 173.2 | -60.1 | 158.8 | 0 | 0 | 0 | 109.8 | V257 L261 A834 R835 A842 I862 H866 | V257-I838 HydrophobicContact CG1-CD1 3.92Å; V257-I838 HydrophobicContact CG1-CG1 3.6Å; L261-I838 HydrophobicContact CD1-CB 4.15Å; L261-I838 HydrophobicContact CD1-CG1 3.6Å; A834-I838 VanDerWaalsContact O-CG1 3.24Å; A834-I838 WeakPolarHBondContact O-CG1 3.26Å; A834-I838 PolarHBondContact O-N 3.25Å; R835-I838 PolarHBondContact O-N 2.86Å; I838-A842 WeakPolarHBondContact O-CA 3.23Å; I838-A842 WeakPolarHBondContact O-CB 3.45Å; I838-A842 PolarHBondContact O-N 3Å; I838-I862 HydrophobicContact CB-CG2 4.15Å; I838-I862 HydrophobicContact CG2-CG2 3.5Å; I838-I862 VanDerWaalsContact CG2-CG2 3.5Å; I838-H866 HydrophobicContact CD1-CB 4.29Å |
| 839 | H | 84.8 | Confident | 78 | Confident | 39 Ų | 39 | 55.7 Ų | 55.7 | 18% | 0.181 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64 | -43.8 | 176.9 | -84.3 | -76.7 | 0 | 0 | 0 | 113.2 | R835 L836 R837 A842 S843 S859 D863 | R835-H839 PolarHBondContact O-CD2 3.22Å; R835-H839 VanDerWaalsContact O-CD2 3.24Å; R835-H839 PolarHBondContact O-N 3.05Å; L836-H839 PolarHBondContact O-N 3.47Å; R837-H839 VanDerWaalsContact C-N 3.3Å; R837-H839 PolarHBondContact O-N 3.22Å; H839-A842 PolarHBondContact O-N 3Å; H839-S843 VanDerWaalsContact O-CB 3.24Å; H839-S843 WeakPolarHBondContact O-CB 3.44Å; H839-S843 PolarHBondContact O-N 3.02Å; H839-S843 PolarHBondContact O-OG 2.79Å; H839-S859 PolarHBondContact CE1-OG 2.87Å; H839-S859 VanDerWaalsContact CE1-OG 3.3Å; H839-D863 IonicContact CD2-OD1 3.46Å; H839-D863 IonicContact CE1-OD1 3.44Å; H839-D863 IonicContact NE2-OD1 2.8Å; H839-D863 PolarHBondContact NE2-OD1 3.32Å |
| 840 | E | 82.9 | Confident | 76.7 | Confident | 105 Ų | 105 | 56 Ų | 56 | 49% | 0.491 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62 | -54.7 | 179.5 | -176.1 | -175.6 | -170.9 | 0 | 0 | 110.2 | L836 R837 A842 S843 S844 | L836-E840 WeakPolarHBondContact O-CB 3.39Å; L836-E840 PolarHBondContact O-N 3.12Å; R837-E840 WeakPolarHBondContact CD-OE2 3.32Å; R837-E840 IonicContact CZ-OE2 3.03Å; R837-E840 IonicContact NE-OE2 2.8Å; R837-E840 IonicContact NH1-OE1 3.2Å; R837-E840 IonicContact NH1-OE2 3.11Å; R837-E840 PolarHBondContact NH1-OE2 2.71Å; R837-E840 PolarHBondContact O-N 3.4Å; E840-A842 VanDerWaalsContact C-N 3.28Å; E840-A842 PolarHBondContact O-N 3.18Å; E840-S843 WeakPolarHBondContact O-CB 3.35Å; E840-S843 PolarHBondContact O-N 3.49Å; E840-S843 PolarHBondContact O-OG 3.38Å; E840-S844 PolarHBondContact O-N 3.45Å; E840-S844 PolarHBondContact O-OG 2.73Å |
| 841 | F | 78.6 | Confident | 75.6 | Confident | 37 Ų | 37 | 62.3 Ų | 62.3 | 16% | 0.162 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.7 | -42.4 | 176.8 | 178.9 | -86.1 | 0 | 0 | 0 | 111.4 | V17 L261 R837 S843 S844 E845 Y846 | V17-F841 HydrophobicContact CB-CE1 3.91Å; V17-F841 HydrophobicContact CG1-CD1 4.39Å; V17-F841 HydrophobicContact CG1-CE1 3.2Å; V17-F841 HydrophobicContact CG1-CZ 3.5Å; V17-F841 VanDerWaalsContact CG1-CZ 3.5Å; V17-F841 HydrophobicContact CG2-CD1 4.09Å; V17-F841 HydrophobicContact CG2-CE1 3.6Å; L261-F841 HydrophobicContact CB-CB 4.38Å; L261-F841 HydrophobicContact CB-CD2 4.33Å; L261-F841 HydrophobicContact CB-CG 4.33Å; L261-F841 HydrophobicContact CD1-CB 4.37Å; L261-F841 HydrophobicContact CD2-CB 4.39Å; L261-F841 HydrophobicContact CD2-CD1 3.67Å; L261-F841 HydrophobicContact CD2-CD2 4.09Å; L261-F841 HydrophobicContact CD2-CE1 3.94Å; L261-F841 HydrophobicContact CD2-CE2 4.31Å; L261-F841 HydrophobicContact CD2-CG 3.76Å; L261-F841 HydrophobicContact CD2-CZ 4.24Å; L261-F841 HydrophobicContact CG-CG 4.45Å; R837-F841 WeakPolarHBondContact O-CB 3.39Å; R837-F841 PolarHBondContact O-N 3.49Å; F841-S843 VanDerWaalsContact C-N 3.28Å; F841-S843 PolarHBondContact O-N 2.87Å; F841-S844 WeakPolarHBondContact CA-OG 3.5Å; F841-S844 PolarHBondContact O-N 3.33Å; F841-S844 PolarHBondContact O-OG 2.9Å; F841-E845 HydrophobicContact CD2-CG 4.36Å; F841-E845 HydrophobicContact CE1-CB 4.38Å; F841-E845 HydrophobicContact CE1-CG 4.02Å; F841-E845 HydrophobicContact CE2-CG 3.88Å; F841-E845 HydrophobicContact CZ-CB 4.49Å; F841-E845 HydrophobicContact CZ-CG 3.7Å; F841-E845 PolarHBondContact O-N 3.1Å; F841-Y846 HydrophobicContact CD1-CE2 4.36Å; F841-Y846 HydrophobicContact CE1-CE2 4.17Å; F841-Y846 VanDerWaalsContact CE1-OH 3.27Å; F841-Y846 WeakPolarHBondContact CE1-OH 3.39Å |
| 842 | A | 74.9 | Confident | 74.4 | Confident | 4 Ų | 4 | 63.5 Ų | 63.5 | 3% | 0.033 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.6 | -30.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I838 H839 E840 Y846 F858 I862 | I838-A842 WeakPolarHBondContact O-CA 3.23Å; I838-A842 WeakPolarHBondContact O-CB 3.45Å; I838-A842 PolarHBondContact O-N 3Å; H839-A842 PolarHBondContact O-N 3Å; E840-A842 VanDerWaalsContact C-N 3.28Å; E840-A842 PolarHBondContact O-N 3.18Å; A842-Y846 HydrophobicContact CB-CD2 3.72Å; A842-Y846 HydrophobicContact CB-CE2 4.03Å; A842-Y846 WeakPolarHBondContact O-CA 3.48Å; A842-Y846 WeakPolarHBondContact O-CB 3.31Å; A842-Y846 WeakPolarHBondContact O-CD2 3.45Å; A842-Y846 PolarHBondContact O-N 3.38Å; A842-F858 HydrophobicContact CB-CE1 3.95Å; A842-F858 HydrophobicContact CB-CZ 3.86Å; A842-I862 HydrophobicContact CB-CD1 3.48Å; A842-I862 VanDerWaalsContact CB-CD1 3.48Å; A842-I862 HydrophobicContact CB-CG1 4.38Å |
| 843 | S | 72.8 | Confident | 73.4 | Confident | 42 Ų | 42 | 58 Ų | 58 | 29% | 0.294 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -74.7 | -34.7 | 176.1 | 74.2 | 0 | 0 | 0 | 0 | 113.1 | H839 E840 F841 R850 | H839-S843 VanDerWaalsContact O-CB 3.24Å; H839-S843 WeakPolarHBondContact O-CB 3.44Å; H839-S843 PolarHBondContact O-N 3.02Å; H839-S843 PolarHBondContact O-OG 2.79Å; E840-S843 WeakPolarHBondContact O-CB 3.35Å; E840-S843 PolarHBondContact O-N 3.49Å; E840-S843 PolarHBondContact O-OG 3.38Å; F841-S843 VanDerWaalsContact C-N 3.28Å; F841-S843 PolarHBondContact O-N 2.87Å; S843-R850 VanDerWaalsContact CB-NH2 3.25Å |
| 844 | S | 70.6 | Confident | 72.8 | Confident | 81 Ų | 81 | 55 Ų | 55 | 57% | 0.566 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -74.7 | -47.1 | 178.9 | 60.2 | 0 | 0 | 0 | 0 | 111.8 | E840 F841 | E840-S844 PolarHBondContact O-N 3.45Å; E840-S844 PolarHBondContact O-OG 2.73Å; F841-S844 WeakPolarHBondContact CA-OG 3.5Å; F841-S844 PolarHBondContact O-N 3.33Å; F841-S844 PolarHBondContact O-OG 2.9Å |
| 845 | E | 66.3 | Low | 72.4 | Confident | 71 Ų | 71 | 59.1 Ų | 59.1 | 33% | 0.332 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -85.6 | -26.6 | -175.8 | -64.1 | -67.4 | 150.3 | 0 | 0 | 113 | Q21 F841 | Q21-E845 PolarHBondContact NE2-OE2 3.34Å; F841-E845 HydrophobicContact CD2-CG 4.36Å; F841-E845 HydrophobicContact CE1-CB 4.38Å; F841-E845 HydrophobicContact CE1-CG 4.02Å; F841-E845 HydrophobicContact CE2-CG 3.88Å; F841-E845 HydrophobicContact CZ-CB 4.49Å; F841-E845 HydrophobicContact CZ-CG 3.7Å; F841-E845 PolarHBondContact O-N 3.1Å |
| 846 | Y | 62.4 | Low | 72.1 | Confident | 9 Ų | 9 | 58.9 Ų | 58.9 | 4% | 0.035 | 32% | 0.315 | C | S | . | . | trans | -111.9 | 33.2 | -175.9 | -45.8 | -60.6 | 0 | 0 | 0 | 116 | V17 K20 F841 A842 L848 L849 F858 | V17-Y846 WeakPolarHBondContact CA-OH 3.48Å; V17-Y846 HydrophobicContact CB-CE2 4.19Å; V17-Y846 WeakPolarHBondContact CB-OH 3.29Å; V17-Y846 WeakPolarHBondContact CG1-OH 3.24Å; V17-Y846 HydrophobicContact CG2-CE2 3.68Å; V17-Y846 VanDerWaalsContact CG2-OH 3.28Å; V17-Y846 WeakPolarHBondContact CG2-OH 3.48Å; V17-Y846 WeakPolarHBondContact O-CE1 3.45Å; V17-Y846 PolarHBondContact O-OH 3.26Å; K20-Y846 HydrophobicContact CB-CD1 4.22Å; K20-Y846 HydrophobicContact CB-CE1 4.36Å; F841-Y846 HydrophobicContact CD1-CE2 4.36Å; F841-Y846 HydrophobicContact CE1-CE2 4.17Å; F841-Y846 VanDerWaalsContact CE1-OH 3.27Å; F841-Y846 WeakPolarHBondContact CE1-OH 3.39Å; A842-Y846 HydrophobicContact CB-CD2 3.72Å; A842-Y846 HydrophobicContact CB-CE2 4.03Å; A842-Y846 WeakPolarHBondContact O-CA 3.48Å; A842-Y846 WeakPolarHBondContact O-CB 3.31Å; A842-Y846 WeakPolarHBondContact O-CD2 3.45Å; A842-Y846 PolarHBondContact O-N 3.38Å; Y846-L848 PolarHBondContact O-N 3.38Å; Y846-L849 HydrophobicContact CD1-CD1 3.95Å; Y846-L849 HydrophobicContact CG-CD1 3.86Å; Y846-L849 PolarHBondContact O-N 2.82Å; Y846-F858 AromaticContact CD2-CZ 3.89Å; Y846-F858 HydrophobicContact CD2-CZ 3.89Å; Y846-F858 HydrophobicContact CG-CZ 4.19Å | ||
| 847 | G | 60.4 | Low | 71.7 | Confident | 35 Ų | 35 | 56.2 Ų | 56.2 | 36% | 0.361 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.5 | -33.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 848 | L | 57.2 | Low | 71.6 | Confident | 44 Ų | 44 | 53.2 Ų | 53.2 | 23% | 0.23 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -23.8 | 175.7 | -68.9 | -169.7 | 0 | 0 | 0 | 116.4 | K20 T24 I27 Y846 R850 F851 | K20-L848 PolarHBondContact NZ-O 2.99Å; T24-L848 HydrophobicContact CG2-CB 4.49Å; T24-L848 HydrophobicContact CG2-CD1 3.2Å; T24-L848 HydrophobicContact CG2-CG 3.73Å; I27-L848 HydrophobicContact CB-CD1 4.48Å; I27-L848 HydrophobicContact CD1-CD1 3.86Å; Y846-L848 PolarHBondContact O-N 3.38Å; L848-R850 VanDerWaalsContact C-N 3.25Å; L848-F851 HydrophobicContact CD2-CD2 3.95Å; L848-F851 HydrophobicContact CD2-CE2 4.16Å; L848-F851 PolarHBondContact O-N 2.92Å |
| 849 | L | 58.5 | Low | 71.6 | Confident | 11 Ų | 11 | 54 Ų | 54 | 6% | 0.058 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.2 | -29.4 | 172.8 | -78.8 | 173.6 | 0 | 0 | 0 | 111.4 | K20 L756 Y846 F851 L852 L853 F858 | K20-L849 HydrophobicContact CD-CD1 3.99Å; K20-L849 HydrophobicContact CD-CD2 3.69Å; K20-L849 HydrophobicContact CD-CG 3.48Å; K20-L849 VanDerWaalsContact CD-CG 3.48Å; L756-L849 HydrophobicContact CD2-CD2 4.22Å; Y846-L849 HydrophobicContact CD1-CD1 3.95Å; Y846-L849 HydrophobicContact CG-CD1 3.86Å; Y846-L849 PolarHBondContact O-N 2.82Å; L849-F851 PolarHBondContact O-N 3.37Å; L849-F851 VanDerWaalsContact O-N 3.12Å; L849-L852 PolarHBondContact O-N 3.08Å; L849-L852 VanDerWaalsContact O-N 3.09Å; L849-L853 HydrophobicContact CB-CD1 4.28Å; L849-L853 HydrophobicContact CD2-CD1 4.01Å; L849-L853 WeakPolarHBondContact O-CB 3.37Å; L849-L853 PolarHBondContact O-N 3.31Å; L849-F858 HydrophobicContact CB-CD2 4.09Å; L849-F858 HydrophobicContact CB-CE2 3.87Å; L849-F858 HydrophobicContact CD1-CE2 3.74Å; L849-F858 HydrophobicContact CG-CE2 4.42Å |
| 850 | R | 59.5 | Low | 71.6 | Confident | 127 Ų | 127 | 60.3 Ų | 60.3 | 48% | 0.479 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.1 | -17.5 | 172.4 | -65.6 | -178.5 | 172 | -171.6 | -3.3 | 113.9 | S843 L848 L853 | S843-R850 VanDerWaalsContact CB-NH2 3.25Å; L848-R850 VanDerWaalsContact C-N 3.25Å; R850-L853 CarbonylContact C-O 3.56Å; R850-L853 VanDerWaalsContact C-O 3.27Å |
| 851 | F | 64.3 | Low | 71.7 | Confident | 168 Ų | 168 | 55.3 Ų | 55.3 | 74% | 0.737 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -86.2 | -36.5 | 172.6 | -73.6 | -83.5 | 0 | 0 | 0 | 113 | L848 L849 | L848-F851 HydrophobicContact CD2-CD2 3.95Å; L848-F851 HydrophobicContact CD2-CE2 4.16Å; L848-F851 PolarHBondContact O-N 2.92Å; L849-F851 PolarHBondContact O-N 3.37Å; L849-F851 VanDerWaalsContact O-N 3.12Å |
| 852 | L | 63 | Low | 72 | Confident | 39 Ų | 39 | 53.7 Ų | 53.7 | 20% | 0.204 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -83.8 | -31.4 | -179.8 | -69 | 176.7 | 0 | 0 | 0 | 113 | L23 F766 L849 | L23-L852 HydrophobicContact CD2-CD1 3.71Å; F766-L852 HydrophobicContact CD1-CD2 4.06Å; F766-L852 WeakPolarHBondContact CD2-O 3.09Å; F766-L852 HydrophobicContact CE1-CD2 4.38Å; L849-L852 PolarHBondContact O-N 3.08Å; L849-L852 VanDerWaalsContact O-N 3.09Å |
| 853 | L | 67 | Low | 72.6 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -113.5 | 143.7 | 178.3 | -66.7 | 159.2 | 0 | 0 | 0 | 107.9 | L756 F760 M762 L849 R850 F858 | L756-L853 HydrophobicContact CD2-CD1 4.21Å; F760-L853 HydrophobicContact CB-CD1 4.08Å; F760-L853 HydrophobicContact CB-CD2 4.09Å; F760-L853 HydrophobicContact CD1-CD1 4.32Å; F760-L853 HydrophobicContact CG-CD1 4.36Å; M762-L853 HydrophobicContact CB-CD2 3.75Å; M762-L853 HydrophobicContact CG-CD2 4.03Å; L849-L853 HydrophobicContact CB-CD1 4.28Å; L849-L853 HydrophobicContact CD2-CD1 4.01Å; L849-L853 WeakPolarHBondContact O-CB 3.37Å; L849-L853 PolarHBondContact O-N 3.31Å; R850-L853 CarbonylContact C-O 3.56Å; R850-L853 VanDerWaalsContact C-O 3.27Å; L853-F858 HydrophobicContact CB-CB 4.38Å; L853-F858 HydrophobicContact CD1-CD2 3.96Å |
| 854 | S | 75.4 | Confident | 73.3 | Confident | 43 Ų | 43 | 54 Ų | 54 | 30% | 0.301 | 29% | 0.287 | S | S | . | . | trans | -61.9 | 145.7 | 170.3 | 74.8 | 0 | 0 | 0 | 0 | 109.5 | S856 Q857 F858 | S854-S856 PolarHBondContact O-N 2.78Å; S854-S856 VanDerWaalsContact O-N 3.09Å; S854-S856 PolarHBondContact OG-OG 3.17Å; S854-Q857 PolarHBondContact O-N 3.35Å; S854-Q857 WeakPolarHBondContact OG-CB 3.24Å; S854-Q857 WeakPolarHBondContact OG-CG 3.36Å; S854-Q857 PolarHBondContact OG-N 3.31Å; S854-Q857 VanDerWaalsContact OG-N 3.12Å; S854-F858 PolarHBondContact O-N 3.43Å | ||
| 855 | P | 77.9 | Confident | 74 | Confident | 86 Ų | 86 | 50.8 Ų | 50.8 | 56% | 0.558 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -53.1 | -34.5 | 177.9 | -27.9 | 34.1 | 0 | 0 | 0 | 113.2 | S859 | P855-S859 WeakPolarHBondContact O-CB 3.28Å; P855-S859 PolarHBondContact O-N 3.03Å |
| 856 | S | 80.5 | Confident | 75 | Confident | 86 Ų | 86 | 47.9 Ų | 47.9 | 60% | 0.601 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -68.9 | -41.7 | 175.7 | 52.8 | 0 | 0 | 0 | 0 | 113.7 | S854 F858 R860 | S854-S856 PolarHBondContact O-N 2.78Å; S854-S856 VanDerWaalsContact O-N 3.09Å; S854-S856 PolarHBondContact OG-OG 3.17Å; S856-F858 VanDerWaalsContact C-N 3.34Å; S856-R860 VanDerWaalsContact O-CB 3.28Å; S856-R860 WeakPolarHBondContact O-CB 3.44Å; S856-R860 PolarHBondContact O-N 2.9Å |
| 857 | Q | 82.2 | Confident | 76.3 | Confident | 53 Ų | 53 | 50.2 Ų | 50.2 | 25% | 0.248 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.6 | -41.1 | 175.1 | -79 | 173.1 | -11.1 | 0 | 0 | 111 | N763 S854 R860 G861 | N763-Q857 PolarHBondContact OD1-NE2 3.06Å; S854-Q857 PolarHBondContact O-N 3.35Å; S854-Q857 WeakPolarHBondContact OG-CB 3.24Å; S854-Q857 WeakPolarHBondContact OG-CG 3.36Å; S854-Q857 PolarHBondContact OG-N 3.31Å; S854-Q857 VanDerWaalsContact OG-N 3.12Å; Q857-R860 PolarHBondContact O-N 2.94Å; Q857-G861 PolarHBondContact O-N 3.29Å |
| 858 | F | 80.2 | Confident | 77.6 | Confident | 9 Ų | 9 | 48.5 Ų | 48.5 | 4% | 0.039 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.6 | -49.7 | 178.8 | -174.5 | -108.9 | 0 | 0 | 0 | 112 | F760 A842 Y846 L849 L853 S854 S856 R860 G861 I862 | F760-F858 AromaticContact CD1-CD2 3.96Å; F760-F858 HydrophobicContact CD1-CD2 3.96Å; F760-F858 HydrophobicContact CD1-CE2 4.42Å; F760-F858 AromaticContact CE1-CD2 3.87Å; F760-F858 HydrophobicContact CE1-CD2 3.87Å; F760-F858 AromaticContact CE1-CE2 3.92Å; F760-F858 HydrophobicContact CE1-CE2 3.92Å; A842-F858 HydrophobicContact CB-CE1 3.95Å; A842-F858 HydrophobicContact CB-CZ 3.86Å; Y846-F858 AromaticContact CD2-CZ 3.89Å; Y846-F858 HydrophobicContact CD2-CZ 3.89Å; Y846-F858 HydrophobicContact CG-CZ 4.19Å; L849-F858 HydrophobicContact CB-CD2 4.09Å; L849-F858 HydrophobicContact CB-CE2 3.87Å; L849-F858 HydrophobicContact CD1-CE2 3.74Å; L849-F858 HydrophobicContact CG-CE2 4.42Å; L853-F858 HydrophobicContact CB-CB 4.38Å; L853-F858 HydrophobicContact CD1-CD2 3.96Å; S854-F858 PolarHBondContact O-N 3.43Å; S856-F858 VanDerWaalsContact C-N 3.34Å; F858-R860 VanDerWaalsContact C-N 3.34Å; F858-R860 PolarHBondContact O-N 2.97Å; F858-G861 PolarHBondContact O-N 3.42Å; F858-I862 HydrophobicContact CD1-CD1 3.86Å; F858-I862 HydrophobicContact CE1-CD1 3.46Å; F858-I862 VanDerWaalsContact CE1-CD1 3.46Å; F858-I862 HydrophobicContact CZ-CD1 3.84Å; F858-I862 PolarHBondContact O-N 3.3Å; F858-I862 VanDerWaalsContact O-N 3.09Å |
| 859 | S | 84.3 | Confident | 78.9 | Confident | 44 Ų | 44 | 46.6 Ų | 46.6 | 31% | 0.308 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.2 | -42.6 | 177.1 | 176 | 0 | 0 | 0 | 0 | 111.8 | H839 P855 G861 I862 D863 | H839-S859 PolarHBondContact CE1-OG 2.87Å; H839-S859 VanDerWaalsContact CE1-OG 3.3Å; P855-S859 WeakPolarHBondContact O-CB 3.28Å; P855-S859 PolarHBondContact O-N 3.03Å; S859-G861 VanDerWaalsContact C-N 3.34Å; S859-G861 PolarHBondContact O-N 3.18Å; S859-I862 PolarHBondContact O-N 2.94Å; S859-D863 VanDerWaalsContact O-CG 3.3Å; S859-D863 PolarHBondContact O-N 3.47Å |
| 860 | R | 85.4 | Confident | 80.3 | Confident | 170 Ų | 170 | 48.4 Ų | 48.4 | 64% | 0.642 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -62.2 | -38.5 | 174.8 | -179.1 | 177.8 | 177.5 | 164.1 | 1.5 | 113.1 | S856 Q857 F858 D863 T864 | S856-R860 VanDerWaalsContact O-CB 3.28Å; S856-R860 WeakPolarHBondContact O-CB 3.44Å; S856-R860 PolarHBondContact O-N 2.9Å; Q857-R860 PolarHBondContact O-N 2.94Å; F858-R860 VanDerWaalsContact C-N 3.34Å; F858-R860 PolarHBondContact O-N 2.97Å; R860-D863 PolarHBondContact O-N 2.67Å; R860-T864 WeakPolarHBondContact O-CB 3.29Å; R860-T864 PolarHBondContact O-N 3.01Å; R860-T864 PolarHBondContact O-OG1 2.9Å |
| 861 | G | 84.5 | Confident | 81.5 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64 | -44.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q857 F858 S859 T864 L865 | Q857-G861 PolarHBondContact O-N 3.29Å; F858-G861 PolarHBondContact O-N 3.42Å; S859-G861 VanDerWaalsContact C-N 3.34Å; S859-G861 PolarHBondContact O-N 3.18Å; G861-T864 PolarHBondContact O-N 3.25Å; G861-L865 WeakPolarHBondContact O-CG 3.22Å; G861-L865 PolarHBondContact O-N 3.27Å; G861-L865 VanDerWaalsContact O-N 3.07Å |
| 862 | I | 84.8 | Confident | 82.5 | Confident | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.6 | -47.4 | 173.5 | -68.6 | 166.6 | 0 | 0 | 0 | 110.9 | F760 I838 A842 F858 S859 T864 L865 H866 | F760-I862 HydrophobicContact CE1-CG1 4.22Å; I838-I862 HydrophobicContact CB-CG2 4.15Å; I838-I862 HydrophobicContact CG2-CG2 3.5Å; I838-I862 VanDerWaalsContact CG2-CG2 3.5Å; A842-I862 HydrophobicContact CB-CD1 3.48Å; A842-I862 VanDerWaalsContact CB-CD1 3.48Å; A842-I862 HydrophobicContact CB-CG1 4.38Å; F858-I862 HydrophobicContact CD1-CD1 3.86Å; F858-I862 HydrophobicContact CE1-CD1 3.46Å; F858-I862 VanDerWaalsContact CE1-CD1 3.46Å; F858-I862 HydrophobicContact CZ-CD1 3.84Å; F858-I862 PolarHBondContact O-N 3.3Å; F858-I862 VanDerWaalsContact O-N 3.09Å; S859-I862 PolarHBondContact O-N 2.94Å; I862-T864 VanDerWaalsContact C-N 3.26Å; I862-T864 PolarHBondContact O-N 3.43Å; I862-L865 WeakPolarHBondContact O-CB 3.44Å; I862-L865 PolarHBondContact O-N 3.44Å; I862-L865 VanDerWaalsContact O-N 3.15Å; I862-H866 PolarHBondContact O-N 2.94Å |
| 863 | D | 87.6 | Confident | 83.7 | Confident | 33 Ų | 33 | 38.1 Ų | 38.1 | 18% | 0.176 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.7 | -38.8 | 178.6 | -71.1 | -12.8 | 0 | 0 | 0 | 111.3 | R835 H839 S859 R860 L865 H866 D867 | R835-D863 IonicContact CZ-OD1 2.89Å; R835-D863 IonicContact CZ-OD2 3.68Å; R835-D863 IonicContact NH1-OD1 3.9Å; R835-D863 PolarHBondContact NH1-OD1 3.31Å; R835-D863 IonicContact NH1-OD2 2.83Å; R835-D863 PolarHBondContact NH1-OD2 2.99Å; H839-D863 IonicContact CD2-OD1 3.46Å; H839-D863 IonicContact CE1-OD1 3.44Å; H839-D863 IonicContact NE2-OD1 2.8Å; H839-D863 PolarHBondContact NE2-OD1 3.32Å; S859-D863 VanDerWaalsContact O-CG 3.3Å; S859-D863 PolarHBondContact O-N 3.47Å; R860-D863 PolarHBondContact O-N 2.67Å; D863-L865 PolarHBondContact O-N 2.81Å; D863-H866 PolarHBondContact O-N 3.1Å; D863-D867 VanDerWaalsContact O-CB 3.29Å; D863-D867 WeakPolarHBondContact O-CB 3.36Å; D863-D867 PolarHBondContact O-N 2.76Å |
| 864 | T | 86.7 | Confident | 84.6 | Confident | 19 Ų | 19 | 38.1 Ų | 38.1 | 12% | 0.117 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.3 | -37.7 | 176.9 | -54.6 | 0 | 0 | 0 | 0 | 112.4 | F164 A165 V759 R860 G861 I862 C868 | F164-T864 HydrophobicContact CD1-CG2 4.02Å; F164-T864 HydrophobicContact CE1-CG2 4.16Å; F164-T864 WeakPolarHBondContact CE1-O 3.46Å; A165-T864 HydrophobicContact CB-CG2 3.71Å; V759-T864 HydrophobicContact CG1-CG2 4.35Å; R860-T864 WeakPolarHBondContact O-CB 3.29Å; R860-T864 PolarHBondContact O-N 3.01Å; R860-T864 PolarHBondContact O-OG1 2.9Å; G861-T864 PolarHBondContact O-N 3.25Å; I862-T864 VanDerWaalsContact C-N 3.26Å; I862-T864 PolarHBondContact O-N 3.43Å; T864-C868 PolarHBondContact O-N 2.99Å; T864-C868 VanDerWaalsContact O-N 3.15Å |
| 865 | L | 86.4 | Confident | 85.1 | Confident | 13 Ų | 13 | 36.3 Ų | 36.3 | 7% | 0.068 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.3 | -46.2 | 174.8 | -68.6 | 172.9 | 0 | 0 | 0 | 111 | V16 F161 L755 V759 F760 G861 I862 D863 C868 L869 | V16-L865 HydrophobicContact CG1-CD1 4.06Å; V16-L865 HydrophobicContact CG2-CD1 4.49Å; F161-L865 HydrophobicContact CB-CD2 3.82Å; F161-L865 HydrophobicContact CD1-CD2 3.67Å; F161-L865 HydrophobicContact CD2-CD2 3.72Å; F161-L865 HydrophobicContact CE1-CD2 4.09Å; F161-L865 HydrophobicContact CE2-CD2 4.1Å; F161-L865 HydrophobicContact CG-CD2 3.48Å; F161-L865 VanDerWaalsContact CG-CD2 3.48Å; F161-L865 HydrophobicContact CZ-CD2 4.28Å; L755-L865 HydrophobicContact CD1-CD2 4.41Å; V759-L865 HydrophobicContact CG1-CD2 3.8Å; V759-L865 HydrophobicContact CG1-CG 3.83Å; F760-L865 HydrophobicContact CE2-CD1 4.26Å; F760-L865 HydrophobicContact CZ-CD1 3.97Å; G861-L865 WeakPolarHBondContact O-CG 3.22Å; G861-L865 PolarHBondContact O-N 3.27Å; G861-L865 VanDerWaalsContact O-N 3.07Å; I862-L865 WeakPolarHBondContact O-CB 3.44Å; I862-L865 PolarHBondContact O-N 3.44Å; I862-L865 VanDerWaalsContact O-N 3.15Å; D863-L865 PolarHBondContact O-N 2.81Å; L865-C868 WeakPolarHBondContact O-CB 3.47Å; L865-C868 PolarHBondContact O-N 2.9Å; L865-L869 WeakPolarHBondContact O-CG 3.4Å; L865-L869 PolarHBondContact O-N 3.31Å |
| 866 | H | 87.8 | Confident | 85.5 | Confident | 10 Ų | 10 | 32.2 Ų | 32.2 | 5% | 0.046 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.4 | -47.7 | 177 | 177 | -93.8 | 0 | 0 | 0 | 111.6 | A831 I838 I862 D863 C868 L869 Q870 | A831-H866 PolarHBondContact O-NE2 3.13Å; A831-H866 VanDerWaalsContact O-NE2 3.1Å; I838-H866 HydrophobicContact CD1-CB 4.29Å; I862-H866 PolarHBondContact O-N 2.94Å; D863-H866 PolarHBondContact O-N 3.1Å; H866-C868 PolarHBondContact O-N 3.05Å; H866-L869 WeakPolarHBondContact O-CB 3.3Å; H866-L869 PolarHBondContact O-N 2.95Å; H866-Q870 PolarHBondContact CE1-NE2 2.93Å; H866-Q870 PolarHBondContact NE2-NE2 3.42Å; H866-Q870 WeakPolarHBondContact O-CG 3.38Å; H866-Q870 PolarHBondContact O-N 2.8Å; H866-Q870 VanDerWaalsContact O-N 3.15Å |
| 867 | D | 88.4 | Confident | 85.9 | Confident | 58 Ų | 58 | 28.3 Ų | 28.3 | 31% | 0.31 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -58 | -36.8 | 178.3 | -73.6 | -3.7 | 0 | 0 | 0 | 112.1 | F164 D863 L869 Q870 C871 | F164-D867 HydrophobicContact CE1-CB 4.06Å; F164-D867 HydrophobicContact CZ-CB 4.09Å; D863-D867 VanDerWaalsContact O-CB 3.29Å; D863-D867 WeakPolarHBondContact O-CB 3.36Å; D863-D867 PolarHBondContact O-N 2.76Å; D867-L869 VanDerWaalsContact C-N 3.33Å; D867-L869 PolarHBondContact O-N 3.28Å; D867-Q870 PolarHBondContact O-N 3.21Å; D867-C871 PolarHBondContact O-SG 3.32Å; D867-C871 VanDerWaalsContact O-SG 3.42Å |
| 868 | C | 87.3 | Confident | 86 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.2 | -41.5 | 175.2 | -171.5 | 0 | 0 | 0 | 0 | 111.5 | F161 F164 T864 L865 H866 Q870 C871 N875 | F161-C868 HydrophobicContact CD1-CB 3.73Å; F161-C868 VanDerWaalsContact CD1-SG 3.59Å; F161-C868 HydrophobicContact CE1-CB 3.79Å; F164-C868 HydrophobicContact CB-CB 4.33Å; F164-C868 HydrophobicContact CD1-CB 3.57Å; F164-C868 HydrophobicContact CD2-CB 4.13Å; F164-C868 HydrophobicContact CE1-CB 3.79Å; F164-C868 HydrophobicContact CE2-CB 4.32Å; F164-C868 HydrophobicContact CG-CB 3.75Å; F164-C868 HydrophobicContact CZ-CB 4.16Å; T864-C868 PolarHBondContact O-N 2.99Å; T864-C868 VanDerWaalsContact O-N 3.15Å; L865-C868 WeakPolarHBondContact O-CB 3.47Å; L865-C868 PolarHBondContact O-N 2.9Å; H866-C868 PolarHBondContact O-N 3.05Å; C868-Q870 VanDerWaalsContact C-N 3.26Å; C868-Q870 PolarHBondContact O-N 3.08Å; C868-C871 PolarHBondContact O-N 3.28Å; C868-N875 PolarHBondContact O-OD1 3.11Å |
| 869 | L | 85.6 | Confident | 86.2 | Confident | 3 Ų | 3 | 25.9 Ų | 25.9 | 2% | 0.016 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -73.4 | -16.6 | 179.2 | -62.7 | 169.3 | 0 | 0 | 0 | 113.1 | N13 F161 L253 V257 L865 H866 D867 C871 N875 | N13-L869 VanDerWaalsContact ND2-CD1 3.3Å; N13-L869 WeakPolarHBondContact ND2-CD1 3.32Å; F161-L869 HydrophobicContact CE1-CD2 4.15Å; F161-L869 HydrophobicContact CE1-CG 4.18Å; F161-L869 HydrophobicContact CZ-CD2 4Å; F161-L869 HydrophobicContact CZ-CG 4.27Å; L253-L869 HydrophobicContact CD1-CD2 4.38Å; V257-L869 HydrophobicContact CG2-CD1 4.49Å; L865-L869 WeakPolarHBondContact O-CG 3.4Å; L865-L869 PolarHBondContact O-N 3.31Å; H866-L869 WeakPolarHBondContact O-CB 3.3Å; H866-L869 PolarHBondContact O-N 2.95Å; D867-L869 VanDerWaalsContact C-N 3.33Å; D867-L869 PolarHBondContact O-N 3.28Å; L869-C871 VanDerWaalsContact C-N 3.25Å; L869-C871 PolarHBondContact O-N 3.12Å; L869-N875 PolarHBondContact O-ND2 3.24Å |
| 870 | Q | 87.1 | Confident | 86.3 | Confident | 50 Ų | 50 | 23.8 Ų | 23.8 | 23% | 0.234 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 2.5 | 173.7 | -56.9 | -43.2 | -47.3 | 0 | 0 | 113.3 | N254 H866 D867 C868 P872 | N254-Q870 PolarHBondContact ND2-NE2 2.79Å; N254-Q870 PolarHBondContact ND2-OE1 2.65Å; N254-Q870 VanDerWaalsContact ND2-OE1 3.12Å; N254-Q870 PolarHBondContact OD1-NE2 2.74Å; H866-Q870 PolarHBondContact CE1-NE2 2.93Å; H866-Q870 PolarHBondContact NE2-NE2 3.42Å; H866-Q870 WeakPolarHBondContact O-CG 3.38Å; H866-Q870 PolarHBondContact O-N 2.8Å; H866-Q870 VanDerWaalsContact O-N 3.15Å; D867-Q870 PolarHBondContact O-N 3.21Å; C868-Q870 VanDerWaalsContact C-N 3.26Å; C868-Q870 PolarHBondContact O-N 3.08Å; Q870-P872 VanDerWaalsContact O-CD 3.26Å; Q870-P872 WeakPolarHBondContact O-CD 3.47Å |
| 871 | C | 86.3 | Confident | 86.3 | Confident | 10 Ų | 10 | 16.1 Ų | 16.1 | 7% | 0.068 | 8% | 0.08 | C | C | . | . | trans | -99.9 | 95.3 | 177.8 | -63.3 | 0 | 0 | 0 | 0 | 110.9 | E180 D867 C868 L869 R873 L874 N875 | E180-C871 HydrophobicContact CG-CB 4.39Å; D867-C871 PolarHBondContact O-SG 3.32Å; D867-C871 VanDerWaalsContact O-SG 3.42Å; C868-C871 PolarHBondContact O-N 3.28Å; L869-C871 VanDerWaalsContact C-N 3.25Å; L869-C871 PolarHBondContact O-N 3.12Å; C871-R873 PolarHBondContact O-N 2.93Å; C871-L874 HydrophobicContact CB-CB 3.83Å; C871-L874 HydrophobicContact CB-CD1 3.71Å; C871-L874 HydrophobicContact CB-CG 3.95Å; C871-L874 PolarHBondContact O-N 2.71Å; C871-L874 VanDerWaalsContact O-N 3.16Å; C871-N875 PolarHBondContact O-N 2.95Å; C871-N875 PolarHBondContact O-ND2 2.79Å | ||
| 872 | P | 85.4 | Confident | 86.2 | Confident | 23 Ų | 23 | 16.3 Ų | 16.3 | 15% | 0.149 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60.7 | -38.2 | -169.8 | 23.7 | -34.4 | 0 | 0 | 0 | 114.1 | T250 F724 Q870 N875 K876 | T250-P872 HydrophobicContact CG2-CB 4.29Å; F724-P872 HydrophobicContact CE1-CB 3.88Å; Q870-P872 VanDerWaalsContact O-CD 3.26Å; Q870-P872 WeakPolarHBondContact O-CD 3.47Å; P872-N875 WeakPolarHBondContact O-CB 3.29Å; P872-N875 PolarHBondContact O-N 3.1Å; P872-K876 WeakPolarHBondContact O-CB 3.3Å; P872-K876 PolarHBondContact O-N 3.07Å |
| 873 | R | 86.9 | Confident | 86.2 | Confident | 85 Ų | 85 | 16.6 Ų | 16.6 | 32% | 0.321 | 8% | 0.083 | S | C | . | . | H | α-helix | trans | -74.8 | -31.9 | 179.6 | -49.3 | 176.7 | 171.1 | -176.3 | -2.1 | 111.7 | E180 I184 N727 F728 C871 K876 Y877 | E180-R873 WeakPolarHBondContact OE1-CA 3.41Å; E180-R873 WeakPolarHBondContact OE1-CB 3.31Å; E180-R873 WeakPolarHBondContact OE1-CG 3.42Å; E180-R873 PolarHBondContact OE1-N 3.08Å; I184-R873 HydrophobicContact CD1-CB 4.26Å; N727-R873 PolarHBondContact O-NH1 2.85Å; F728-R873 HydrophobicContact CD1-CB 3.92Å; F728-R873 HydrophobicContact CE1-CB 3.42Å; F728-R873 VanDerWaalsContact CE1-CB 3.42Å; C871-R873 PolarHBondContact O-N 2.93Å; R873-K876 WeakPolarHBondContact O-CB 3.39Å; R873-K876 PolarHBondContact O-N 3Å; R873-Y877 PolarHBondContact O-N 3.22Å |
| 874 | L | 85.7 | Confident | 86 | Confident | 2 Ų | 2 | 15.9 Ų | 15.9 | 1% | 0.01 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -68.8 | -39.1 | 171 | -67.3 | -179.6 | 0 | 0 | 0 | 111.5 | H160 F164 E180 I183 I184 L187 F728 C871 K876 Y877 L878 | H160-L874 PolarHBondContact CE1-O 3.08Å; F164-L874 HydrophobicContact CD2-CD1 3.77Å; F164-L874 HydrophobicContact CE2-CD1 3.98Å; E180-L874 PolarHBondContact OE1-N 2.84Å; I183-L874 HydrophobicContact CB-CD1 4.49Å; I183-L874 HydrophobicContact CG2-CD1 3.9Å; I183-L874 HydrophobicContact CG2-CD2 4.3Å; I184-L874 HydrophobicContact CG1-CD2 3.99Å; L187-L874 HydrophobicContact CD1-CD2 3.85Å; F728-L874 HydrophobicContact CZ-CD2 4.41Å; C871-L874 HydrophobicContact CB-CB 3.83Å; C871-L874 HydrophobicContact CB-CD1 3.71Å; C871-L874 HydrophobicContact CB-CG 3.95Å; C871-L874 PolarHBondContact O-N 2.71Å; C871-L874 VanDerWaalsContact O-N 3.16Å; L874-K876 PolarHBondContact O-N 3.22Å; L874-Y877 WeakPolarHBondContact O-CB 3.34Å; L874-Y877 PolarHBondContact O-N 2.83Å; L874-L878 PolarHBondContact O-N 3.1Å |
| 875 | N | 86.3 | Confident | 85.7 | Confident | 4 Ų | 4 | 16 Ų | 16 | 2% | 0.021 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.9 | -37.8 | 171.9 | -63.5 | -27.3 | 0 | 0 | 0 | 111.4 | A248 L253 C868 L869 C871 P872 L878 S879 | A248-N875 HydrophobicContact CB-CB 4.38Å; A248-N875 PolarHBondContact O-ND2 3.35Å; L253-N875 HydrophobicContact CD1-CB 3.99Å; L253-N875 VanDerWaalsContact CD1-CG 3.44Å; L253-N875 WeakPolarHBondContact CD1-ND2 3.32Å; C868-N875 PolarHBondContact O-OD1 3.11Å; L869-N875 PolarHBondContact O-ND2 3.24Å; C871-N875 PolarHBondContact O-N 2.95Å; C871-N875 PolarHBondContact O-ND2 2.79Å; P872-N875 WeakPolarHBondContact O-CB 3.29Å; P872-N875 PolarHBondContact O-N 3.1Å; N875-L878 WeakPolarHBondContact O-CB 3.34Å; N875-L878 PolarHBondContact O-N 3.21Å; N875-S879 WeakPolarHBondContact O-CB 3.31Å; N875-S879 PolarHBondContact O-N 3.44Å; N875-S879 PolarHBondContact O-OG 3.14Å |
| 876 | K | 87 | Confident | 85.3 | Confident | 1 Ų | 1 | 15.4 Ų | 15.4 | 0% | 0.004 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64.9 | -41.7 | 173.9 | -165.9 | 160.7 | -177.6 | 170 | 0 | 112.4 | E201 D245 A248 F724 N727 P872 R873 L874 L878 S879 Y880 | E201-K876 VanDerWaalsContact CD-CE 3.43Å; E201-K876 VanDerWaalsContact CD-NZ 3.26Å; E201-K876 WeakPolarHBondContact OE1-CE 3.4Å; E201-K876 IonicContact OE1-NZ 3.64Å; E201-K876 PolarHBondContact OE1-NZ 3.26Å; E201-K876 WeakPolarHBondContact OE2-CE 3.4Å; E201-K876 IonicContact OE2-NZ 3.94Å; E201-K876 PolarHBondContact OE2-NZ 3.4Å; D245-K876 IonicContact OD1-NZ 3.9Å; D245-K876 PolarHBondContact OD1-NZ 3.14Å; A248-K876 HydrophobicContact CB-CB 3.65Å; A248-K876 HydrophobicContact CB-CD 4.44Å; A248-K876 HydrophobicContact CB-CG 4.12Å; F724-K876 HydrophobicContact CB-CD 4.42Å; F724-K876 HydrophobicContact CD1-CD 3.73Å; F724-K876 HydrophobicContact CD2-CD 4.38Å; F724-K876 HydrophobicContact CE1-CB 4.43Å; F724-K876 HydrophobicContact CE1-CD 4.07Å; F724-K876 HydrophobicContact CG-CD 3.91Å; N727-K876 WeakPolarHBondContact OD1-CE 3.38Å; N727-K876 PolarHBondContact OD1-NZ 2.75Å; P872-K876 WeakPolarHBondContact O-CB 3.3Å; P872-K876 PolarHBondContact O-N 3.07Å; R873-K876 WeakPolarHBondContact O-CB 3.39Å; R873-K876 PolarHBondContact O-N 3Å; L874-K876 PolarHBondContact O-N 3.22Å; K876-L878 VanDerWaalsContact C-N 3.33Å; K876-L878 PolarHBondContact O-N 3.5Å; K876-S879 WeakPolarHBondContact CA-OG 3.4Å; K876-S879 PolarHBondContact O-N 2.88Å; K876-S879 PolarHBondContact O-OG 3.48Å; K876-Y880 HydrophobicContact CG-CD2 4.18Å; K876-Y880 HydrophobicContact CG-CE2 3.95Å; K876-Y880 VanDerWaalsContact O-CD2 3.25Å; K876-Y880 WeakPolarHBondContact O-CD2 3.31Å; K876-Y880 PolarHBondContact O-N 3.08Å |
| 877 | Y | 87.3 | Confident | 84.9 | Confident | 4 Ų | 4 | 15 Ų | 15 | 2% | 0.016 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -60.8 | -44.5 | 172.4 | 172.4 | -119.4 | 0 | 0 | 0 | 112.6 | H190 H192 V195 F728 R873 L874 L881 | H190-Y877 PolarHBondContact O-OH 3.41Å; H192-Y877 HydrophobicContact CB-CD2 3.76Å; H192-Y877 HydrophobicContact CB-CE2 3.62Å; V195-Y877 HydrophobicContact CG2-CD2 4.1Å; F728-Y877 HydrophobicContact CE2-CG 4.49Å; R873-Y877 PolarHBondContact O-N 3.22Å; L874-Y877 WeakPolarHBondContact O-CB 3.34Å; L874-Y877 PolarHBondContact O-N 2.83Å; Y877-L881 HydrophobicContact CD1-CD1 4.3Å; Y877-L881 HydrophobicContact CD2-CD1 4.49Å; Y877-L881 HydrophobicContact CD2-CG 4.47Å; Y877-L881 HydrophobicContact CE1-CD1 3.8Å; Y877-L881 HydrophobicContact CE2-CD1 4Å; Y877-L881 HydrophobicContact CE2-CD2 4.17Å; Y877-L881 HydrophobicContact CE2-CG 4.09Å; Y877-L881 WeakPolarHBondContact O-CG 3.46Å; Y877-L881 PolarHBondContact O-N 2.93Å |
| 878 | L | 84.7 | Confident | 84.5 | Confident | 6 Ų | 6 | 13.3 Ų | 13.3 | 3% | 0.031 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -60.5 | -44.7 | 174.4 | 171.6 | 65.3 | 0 | 0 | 0 | 112.4 | V9 I156 L157 H160 L874 N875 K876 Y880 L881 L882 | V9-L878 HydrophobicContact CG1-CD2 4.28Å; I156-L878 HydrophobicContact CG2-CD1 4.28Å; L157-L878 HydrophobicContact CB-CD1 4.22Å; L157-L878 HydrophobicContact CD1-CD1 3.64Å; L157-L878 HydrophobicContact CD1-CD2 3.32Å; L157-L878 HydrophobicContact CD1-CG 4.08Å; L157-L878 HydrophobicContact CG-CD1 4.49Å; H160-L878 HydrophobicContact CB-CD1 4.21Å; L874-L878 PolarHBondContact O-N 3.1Å; N875-L878 WeakPolarHBondContact O-CB 3.34Å; N875-L878 PolarHBondContact O-N 3.21Å; K876-L878 VanDerWaalsContact C-N 3.33Å; K876-L878 PolarHBondContact O-N 3.5Å; L878-Y880 VanDerWaalsContact C-N 3.31Å; L878-Y880 PolarHBondContact O-N 3.1Å; L878-L881 PolarHBondContact O-N 2.8Å; L878-L882 HydrophobicContact CD1-CD1 3.81Å; L878-L882 HydrophobicContact CD1-CD2 4.41Å; L878-L882 HydrophobicContact CD1-CG 3.96Å; L878-L882 HydrophobicContact CD2-CD1 4.49Å; L878-L882 HydrophobicContact CG-CD1 3.76Å; L878-L882 HydrophobicContact CG-CG 4.35Å; L878-L882 VanDerWaalsContact O-CG 3.22Å; L878-L882 WeakPolarHBondContact O-CG 3.32Å; L878-L882 PolarHBondContact O-N 2.88Å |
| 879 | S | 85 | Confident | 83.9 | Confident | 4 Ų | 4 | 14.4 Ų | 14.4 | 3% | 0.028 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -62.1 | -38.3 | -176.8 | 66 | 0 | 0 | 0 | 0 | 112.2 | M244 N875 K876 L882 L883 | M244-S879 VanDerWaalsContact CE-OG 3.3Å; M244-S879 WeakPolarHBondContact CE-OG 3.08Å; N875-S879 WeakPolarHBondContact O-CB 3.31Å; N875-S879 PolarHBondContact O-N 3.44Å; N875-S879 PolarHBondContact O-OG 3.14Å; K876-S879 WeakPolarHBondContact CA-OG 3.4Å; K876-S879 PolarHBondContact O-N 2.88Å; K876-S879 PolarHBondContact O-OG 3.48Å; S879-L882 PolarHBondContact O-N 3.03Å; S879-L883 WeakPolarHBondContact O-CB 3.17Å; S879-L883 PolarHBondContact O-N 3.04Å |
| 880 | Y | 86.3 | Confident | 83.1 | Confident | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -67.4 | -41.6 | 174.6 | -80.6 | -68.5 | 0 | 0 | 0 | 113.2 | A194 V195 E201 Y204 L205 M244 K876 L878 L882 L883 D884 | A194-Y880 HydrophobicContact CB-CD1 3.76Å; A194-Y880 HydrophobicContact CB-CD2 4.06Å; A194-Y880 HydrophobicContact CB-CE1 3.84Å; A194-Y880 HydrophobicContact CB-CE2 4.12Å; A194-Y880 HydrophobicContact CB-CG 3.91Å; V195-Y880 HydrophobicContact CG2-CD2 3.86Å; E201-Y880 VanDerWaalsContact CD-OH 3.22Å; E201-Y880 HydrophobicContact CG-CE2 4.07Å; E201-Y880 WeakPolarHBondContact CG-OH 3.47Å; E201-Y880 PolarHBondContact OE1-OH 2.98Å; Y204-Y880 AromaticContact CD1-CD1 3.89Å; Y204-Y880 HydrophobicContact CD1-CD1 3.89Å; Y204-Y880 AromaticContact CD1-CE1 3.68Å; Y204-Y880 HydrophobicContact CD1-CE1 3.68Å; Y204-Y880 AromaticContact CE1-CD1 3.48Å; Y204-Y880 HydrophobicContact CE1-CD1 3.48Å; Y204-Y880 VanDerWaalsContact CE1-CD1 3.48Å; Y204-Y880 AromaticContact CE1-CE1 3.58Å; Y204-Y880 HydrophobicContact CE1-CE1 3.58Å; L205-Y880 HydrophobicContact CD2-CE1 3.97Å; L205-Y880 HydrophobicContact CG-CE1 4.5Å; M244-Y880 HydrophobicContact CE-CD1 3.78Å; M244-Y880 HydrophobicContact CE-CD2 4.17Å; M244-Y880 HydrophobicContact CE-CE1 3.76Å; M244-Y880 HydrophobicContact CE-CE2 4.16Å; M244-Y880 HydrophobicContact CE-CG 3.96Å; M244-Y880 HydrophobicContact CG-CE1 4.24Å; K876-Y880 HydrophobicContact CG-CD2 4.18Å; K876-Y880 HydrophobicContact CG-CE2 3.95Å; K876-Y880 VanDerWaalsContact O-CD2 3.25Å; K876-Y880 WeakPolarHBondContact O-CD2 3.31Å; K876-Y880 PolarHBondContact O-N 3.08Å; L878-Y880 VanDerWaalsContact C-N 3.31Å; L878-Y880 PolarHBondContact O-N 3.1Å; Y880-L882 PolarHBondContact O-N 3.15Å; Y880-L883 HydrophobicContact CD1-CD2 4.2Å; Y880-L883 HydrophobicContact CE1-CD2 4.34Å; Y880-L883 WeakPolarHBondContact O-CB 3.17Å; Y880-L883 PolarHBondContact O-N 2.7Å; Y880-L883 VanDerWaalsContact O-N 3.12Å; Y880-D884 PolarHBondContact O-N 2.82Å |
| 881 | L | 84.8 | Confident | 82.6 | Confident | 10 Ų | 10 | 12.4 Ų | 12.4 | 5% | 0.052 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -60.5 | -37.3 | 174.9 | -66.8 | 175.1 | 0 | 0 | 0 | 112.5 | I156 T739 Y877 L878 S885 | I156-L881 HydrophobicContact CG2-CB 3.78Å; I156-L881 HydrophobicContact CG2-CD1 4.11Å; T739-L881 WeakPolarHBondContact OG1-CD2 3.24Å; Y877-L881 HydrophobicContact CD1-CD1 4.3Å; Y877-L881 HydrophobicContact CD2-CD1 4.49Å; Y877-L881 HydrophobicContact CD2-CG 4.47Å; Y877-L881 HydrophobicContact CE1-CD1 3.8Å; Y877-L881 HydrophobicContact CE2-CD1 4Å; Y877-L881 HydrophobicContact CE2-CD2 4.17Å; Y877-L881 HydrophobicContact CE2-CG 4.09Å; Y877-L881 WeakPolarHBondContact O-CG 3.46Å; Y877-L881 PolarHBondContact O-N 2.93Å; L878-L881 PolarHBondContact O-N 2.8Å; L881-S885 PolarHBondContact O-N 3.12Å; L881-S885 PolarHBondContact O-OG 3.34Å; L881-S885 VanDerWaalsContact O-OG 3.04Å |
| 882 | L | 83.7 | Confident | 81.8 | Confident | 3 Ų | 3 | 15.8 Ų | 15.8 | 2% | 0.016 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -72.8 | -35.1 | 176.8 | -64.6 | 169.1 | 0 | 0 | 0 | 111.7 | V9 L153 I156 L878 S879 Y880 S885 T886 | V9-L882 HydrophobicContact CB-CD1 4.33Å; V9-L882 HydrophobicContact CG1-CD1 4.41Å; V9-L882 HydrophobicContact CG2-CD1 3.24Å; L153-L882 HydrophobicContact CB-CD2 3.96Å; L153-L882 HydrophobicContact CD2-CB 4.14Å; L153-L882 HydrophobicContact CD2-CD2 3.68Å; L153-L882 HydrophobicContact CG-CD2 4.39Å; I156-L882 HydrophobicContact CB-CD2 4.39Å; I156-L882 HydrophobicContact CG2-CD2 4.18Å; L878-L882 HydrophobicContact CD1-CD1 3.81Å; L878-L882 HydrophobicContact CD1-CD2 4.41Å; L878-L882 HydrophobicContact CD1-CG 3.96Å; L878-L882 HydrophobicContact CD2-CD1 4.49Å; L878-L882 HydrophobicContact CG-CD1 3.76Å; L878-L882 HydrophobicContact CG-CG 4.35Å; L878-L882 VanDerWaalsContact O-CG 3.22Å; L878-L882 WeakPolarHBondContact O-CG 3.32Å; L878-L882 PolarHBondContact O-N 2.88Å; S879-L882 PolarHBondContact O-N 3.03Å; Y880-L882 PolarHBondContact O-N 3.15Å; L882-S885 PolarHBondContact O-N 3.35Å; L882-T886 WeakPolarHBondContact O-CB 3.18Å; L882-T886 PolarHBondContact O-N 3.48Å; L882-T886 PolarHBondContact O-OG1 3.34Å |
| 883 | L | 83.5 | Confident | 80.9 | Confident | 11 Ų | 11 | 21 Ų | 21 | 6% | 0.058 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62 | -51.1 | 174.3 | 179.8 | 62.9 | 0 | 0 | 0 | 110.8 | Y204 M244 S879 Y880 S885 T886 L887 | Y204-L883 HydrophobicContact CE1-CD2 3.88Å; M244-L883 HydrophobicContact CE-CB 4.34Å; M244-L883 HydrophobicContact CE-CD2 4.11Å; M244-L883 HydrophobicContact SD-CD2 3.95Å; S879-L883 WeakPolarHBondContact O-CB 3.17Å; S879-L883 PolarHBondContact O-N 3.04Å; Y880-L883 HydrophobicContact CD1-CD2 4.2Å; Y880-L883 HydrophobicContact CE1-CD2 4.34Å; Y880-L883 WeakPolarHBondContact O-CB 3.17Å; Y880-L883 PolarHBondContact O-N 2.7Å; Y880-L883 VanDerWaalsContact O-N 3.12Å; L883-S885 VanDerWaalsContact C-N 3.27Å; L883-S885 PolarHBondContact O-N 2.69Å; L883-T886 WeakPolarHBondContact O-CB 3.39Å; L883-T886 PolarHBondContact O-N 3.45Å; L883-L887 HydrophobicContact CD1-CD1 4.13Å; L883-L887 HydrophobicContact CD1-CG 4.07Å; L883-L887 HydrophobicContact CG-CD1 3.9Å; L883-L887 HydrophobicContact CG-CG 4.28Å; L883-L887 WeakPolarHBondContact O-CG 3.38Å; L883-L887 PolarHBondContact O-N 3.47Å |
| 884 | D | 84.1 | Confident | 79.6 | Confident | 18 Ų | 18 | 19.4 Ų | 19.4 | 10% | 0.096 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -53.2 | -46.9 | 176.8 | -71.9 | -16.1 | 0 | 0 | 0 | 111.7 | H192 Y204 Y880 T886 L887 S888 | H192-D884 IonicContact CD2-OD2 2.89Å; H192-D884 PolarHBondContact CD2-OD2 3.4Å; H192-D884 IonicContact NE2-OD1 2.81Å; H192-D884 IonicContact NE2-OD2 2.73Å; H192-D884 PolarHBondContact NE2-OD2 3.3Å; Y204-D884 WeakPolarHBondContact CE2-OD1 3.45Å; Y204-D884 PolarHBondContact OH-OD1 3.04Å; Y880-D884 PolarHBondContact O-N 2.82Å; D884-T886 VanDerWaalsContact C-N 3.3Å; D884-T886 PolarHBondContact O-N 2.84Å; D884-L887 PolarHBondContact O-N 2.97Å; D884-S888 WeakPolarHBondContact O-CB 3.41Å; D884-S888 PolarHBondContact O-N 2.94Å; D884-S888 PolarHBondContact O-OG 2.58Å |
| 885 | S | 79.6 | Confident | 78 | Confident | 20 Ų | 20 | 23.2 Ų | 23.2 | 14% | 0.14 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.4 | -36.5 | -179.6 | -63.7 | 0 | 0 | 0 | 0 | 112.3 | I156 L881 L882 L883 S888 C889 | I156-S885 WeakPolarHBondContact CD1-OG 3.48Å; L881-S885 PolarHBondContact O-N 3.12Å; L881-S885 PolarHBondContact O-OG 3.34Å; L881-S885 VanDerWaalsContact O-OG 3.04Å; L882-S885 PolarHBondContact O-N 3.35Å; L883-S885 VanDerWaalsContact C-N 3.27Å; L883-S885 PolarHBondContact O-N 2.69Å; S885-S888 PolarHBondContact O-OG 2.93Å; S885-C889 PolarHBondContact O-N 3.37Å |
| 886 | T | 77.9 | Confident | 76.4 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.9 | -45.7 | 175.4 | -54.4 | 0 | 0 | 0 | 0 | 111 | L148 L882 L883 D884 S888 C889 F890 | L148-T886 HydrophobicContact CD2-CG2 4.44Å; L882-T886 WeakPolarHBondContact O-CB 3.18Å; L882-T886 PolarHBondContact O-N 3.48Å; L882-T886 PolarHBondContact O-OG1 3.34Å; L883-T886 WeakPolarHBondContact O-CB 3.39Å; L883-T886 PolarHBondContact O-N 3.45Å; D884-T886 VanDerWaalsContact C-N 3.3Å; D884-T886 PolarHBondContact O-N 2.84Å; T886-S888 VanDerWaalsContact C-N 3.34Å; T886-S888 PolarHBondContact O-N 3.33Å; T886-C889 WeakPolarHBondContact O-CB 2.9Å; T886-C889 PolarHBondContact O-N 2.98Å; T886-C889 VanDerWaalsContact O-N 3.11Å; T886-F890 HydrophobicContact CG2-CD1 4.43Å; T886-F890 HydrophobicContact CG2-CD2 4.2Å; T886-F890 HydrophobicContact CG2-CE1 3.93Å; T886-F890 HydrophobicContact CG2-CE2 3.65Å; T886-F890 HydrophobicContact CG2-CZ 3.49Å; T886-F890 VanDerWaalsContact CG2-CZ 3.49Å; T886-F890 PolarHBondContact O-N 2.86Å |
| 887 | L | 80 | Confident | 74.5 | Confident | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61 | -42.6 | 177.5 | -69.1 | 173.8 | 0 | 0 | 0 | 111.3 | V208 L883 D884 C889 F890 F891 I899 | V208-L887 HydrophobicContact CB-CD1 4.45Å; V208-L887 HydrophobicContact CG1-CD1 3.73Å; V208-L887 HydrophobicContact CG1-CD2 4.27Å; V208-L887 HydrophobicContact CG2-CD1 3.83Å; L883-L887 HydrophobicContact CD1-CD1 4.13Å; L883-L887 HydrophobicContact CD1-CG 4.07Å; L883-L887 HydrophobicContact CG-CD1 3.9Å; L883-L887 HydrophobicContact CG-CG 4.28Å; L883-L887 WeakPolarHBondContact O-CG 3.38Å; L883-L887 PolarHBondContact O-N 3.47Å; D884-L887 PolarHBondContact O-N 2.97Å; L887-C889 PolarHBondContact O-N 3.26Å; L887-F890 PolarHBondContact O-N 2.96Å; L887-F890 VanDerWaalsContact O-N 3.16Å; L887-F891 HydrophobicContact CB-CD2 4.49Å; L887-F891 HydrophobicContact CD2-CD2 4.25Å; L887-F891 HydrophobicContact CD2-CE2 3.83Å; L887-F891 WeakPolarHBondContact O-CD2 3.3Å; L887-F891 PolarHBondContact O-N 3.5Å; L887-I899 HydrophobicContact CB-CD1 4.42Å; L887-I899 HydrophobicContact CB-CG2 4.06Å; L887-I899 HydrophobicContact CD1-CG2 4.16Å |
| 888 | S | 80.9 | Confident | 72.5 | Confident | 22 Ų | 22 | 39 Ų | 39 | 15% | 0.154 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.7 | -22 | 176.7 | 76 | 0 | 0 | 0 | 0 | 114.1 | R152 D884 S885 T886 | R152-S888 PolarHBondContact NH1-OG 3.15Å; D884-S888 WeakPolarHBondContact O-CB 3.41Å; D884-S888 PolarHBondContact O-N 2.94Å; D884-S888 PolarHBondContact O-OG 2.58Å; S885-S888 PolarHBondContact O-OG 2.93Å; T886-S888 VanDerWaalsContact C-N 3.34Å; T886-S888 PolarHBondContact O-N 3.33Å |
| 889 | C | 74 | Confident | 70.5 | Confident | 22 Ų | 22 | 39.9 Ų | 39.9 | 15% | 0.149 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -86.7 | -38.6 | 173.7 | -86.2 | 0 | 0 | 0 | 0 | 112.3 | C143 L148 R152 S885 T886 L887 F891 | C143-C889 PolarHBondContact SG-O 3.18Å; C143-C889 VanDerWaalsContact SG-O 3.37Å; L148-C889 HydrophobicContact CD1-CB 3.9Å; R152-C889 WeakPolarHBondContact CD-SG 3.5Å; R152-C889 VanDerWaalsContact CZ-SG 3.51Å; R152-C889 PolarHBondContact NE-SG 3.45Å; R152-C889 VanDerWaalsContact NE-SG 3.41Å; S885-C889 PolarHBondContact O-N 3.37Å; T886-C889 WeakPolarHBondContact O-CB 2.9Å; T886-C889 PolarHBondContact O-N 2.98Å; T886-C889 VanDerWaalsContact O-N 3.11Å; L887-C889 PolarHBondContact O-N 3.26Å; C889-F891 VanDerWaalsContact C-N 3.3Å |
| 890 | F | 69.3 | Low | 69.7 | Low | 5 Ų | 5 | 41.7 Ų | 41.7 | 2% | 0.022 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -71 | -29.5 | 179 | -69.6 | -2 | 0 | 0 | 0 | 112.4 | M1 L140 C143 L148 T886 L887 P892 | M1-F890 HydrophobicContact CG-CE2 4.1Å; M1-F890 HydrophobicContact SD-CE2 4.17Å; L140-F890 HydrophobicContact CB-CE1 4.44Å; L140-F890 HydrophobicContact CB-CZ 4.35Å; L140-F890 HydrophobicContact CD1-CE1 3.72Å; L140-F890 HydrophobicContact CD1-CZ 3.58Å; C143-F890 HydrophobicContact CB-CD1 4.49Å; C143-F890 HydrophobicContact CB-CE1 4.49Å; C143-F890 VanDerWaalsContact SG-CD1 3.54Å; L148-F890 HydrophobicContact CD2-CE1 4.28Å; T886-F890 HydrophobicContact CG2-CD1 4.43Å; T886-F890 HydrophobicContact CG2-CD2 4.2Å; T886-F890 HydrophobicContact CG2-CE1 3.93Å; T886-F890 HydrophobicContact CG2-CE2 3.65Å; T886-F890 HydrophobicContact CG2-CZ 3.49Å; T886-F890 VanDerWaalsContact CG2-CZ 3.49Å; T886-F890 PolarHBondContact O-N 2.86Å; L887-F890 PolarHBondContact O-N 2.96Å; L887-F890 VanDerWaalsContact O-N 3.16Å; F890-P892 VanDerWaalsContact O-CD 3.31Å; F890-P892 WeakPolarHBondContact O-CD 3.4Å |
| 891 | F | 76.4 | Confident | 68.9 | Low | 7 Ų | 7 | 43.8 Ų | 43.8 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | trans | -121.3 | 65.7 | -177.5 | -56.4 | -64 | 0 | 0 | 0 | 111.4 | L211 L212 T215 L887 C889 D893 L894 | L211-F891 HydrophobicContact CD2-CD2 4.33Å; L212-F891 HydrophobicContact CD2-CE2 3.69Å; L212-F891 HydrophobicContact CD2-CZ 3.49Å; L212-F891 VanDerWaalsContact CD2-CZ 3.49Å; T215-F891 HydrophobicContact CG2-CD1 4.09Å; T215-F891 HydrophobicContact CG2-CE1 3.52Å; L887-F891 HydrophobicContact CB-CD2 4.49Å; L887-F891 HydrophobicContact CD2-CD2 4.25Å; L887-F891 HydrophobicContact CD2-CE2 3.83Å; L887-F891 WeakPolarHBondContact O-CD2 3.3Å; L887-F891 PolarHBondContact O-N 3.5Å; C889-F891 VanDerWaalsContact C-N 3.3Å; F891-D893 PolarHBondContact O-N 2.79Å; F891-L894 HydrophobicContact CB-CB 4.25Å; F891-L894 HydrophobicContact CB-CD1 3.7Å; F891-L894 HydrophobicContact CB-CG 4.45Å; F891-L894 HydrophobicContact CD1-CD1 4.16Å; F891-L894 HydrophobicContact CG-CD1 4Å; F891-L894 PolarHBondContact O-N 2.81Å | ||
| 892 | P | 68.5 | Low | 68 | Low | 81 Ų | 81 | 45.7 Ų | 45.7 | 53% | 0.526 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -21.1 | 176.5 | 30.8 | -35.3 | 0 | 0 | 0 | 112.2 | F890 L894 | F890-P892 VanDerWaalsContact O-CD 3.31Å; F890-P892 WeakPolarHBondContact O-CD 3.4Å; P892-L894 VanDerWaalsContact C-N 3.26Å; P892-L894 PolarHBondContact O-N 2.98Å |
| 893 | D | 66.6 | Low | 67.1 | Low | 131 Ų | 131 | 48.2 Ų | 48.2 | 70% | 0.701 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -18.6 | 179.9 | -57.8 | -38 | 0 | 0 | 0 | 112.8 | F891 | F891-D893 PolarHBondContact O-N 2.79Š|
| 894 | L | 59.1 | Low | 66 | Low | 52 Ų | 52 | 50.6 Ų | 50.6 | 27% | 0.272 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -98.1 | 132.7 | -178.2 | -75.4 | 154.4 | 0 | 0 | 0 | 109.5 | L211 F891 P892 V896 | L211-L894 HydrophobicContact CD1-CD1 3.37Å; L211-L894 HydrophobicContact CD1-CD2 4Å; L211-L894 HydrophobicContact CD1-CG 4.27Å; L211-L894 HydrophobicContact CD2-CD1 4.07Å; L211-L894 HydrophobicContact CG-CD1 3.88Å; F891-L894 HydrophobicContact CB-CB 4.25Å; F891-L894 HydrophobicContact CB-CD1 3.7Å; F891-L894 HydrophobicContact CB-CG 4.45Å; F891-L894 HydrophobicContact CD1-CD1 4.16Å; F891-L894 HydrophobicContact CG-CD1 4Å; F891-L894 PolarHBondContact O-N 2.81Å; P892-L894 VanDerWaalsContact C-N 3.26Å; P892-L894 PolarHBondContact O-N 2.98Å; L894-V896 PolarHBondContact O-N 3.42Å |
| 895 | P | 52.9 | Low | 64.8 | Low | 83 Ų | 83 | 52.7 Ų | 52.7 | 54% | 0.539 | 30% | 0.303 | S | S | . | . | trans | -59.5 | 136.9 | 176.1 | 22.8 | -29.2 | 0 | 0 | 0 | 109 | E897 S898 | P895-E897 PolarHBondContact O-N 3.46Å; P895-S898 WeakPolarHBondContact CD-OG 3.13Å; P895-S898 WeakPolarHBondContact O-CB 3.36Å; P895-S898 PolarHBondContact O-N 2.72Å; P895-S898 PolarHBondContact O-OG 2.74Å | ||
| 896 | V | 52.6 | Low | 63.8 | Low | 95 Ų | 95 | 55.1 Ų | 55.1 | 58% | 0.576 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -54.2 | -30.1 | -179.6 | 179.8 | 0 | 0 | 0 | 0 | 111.6 | L738 L894 S898 I899 | L738-V896 WeakPolarHBondContact CD1-O 3.16Å; L894-V896 PolarHBondContact O-N 3.42Å; V896-S898 PolarHBondContact O-N 2.76Å; V896-I899 PolarHBondContact O-N 3.25Å |
| 897 | E | 47.1 | Very low | 62.7 | Low | 184 Ų | 184 | 59.2 Ų | 59.2 | 86% | 0.86 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -66.8 | -16.9 | 175.1 | -62.6 | 178.1 | 178.1 | 0 | 0 | 114.6 | P895 | P895-E897 PolarHBondContact O-N 3.46Š|
| 898 | S | 45.6 | Very low | 61.2 | Low | 61 Ų | 61 | 63.9 Ų | 63.9 | 43% | 0.427 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -91.1 | -15.3 | 177.9 | 67.4 | 0 | 0 | 0 | 0 | 114.5 | P895 V896 | P895-S898 WeakPolarHBondContact CD-OG 3.13Å; P895-S898 WeakPolarHBondContact O-CB 3.36Å; P895-S898 PolarHBondContact O-N 2.72Å; P895-S898 PolarHBondContact O-OG 2.74Å; V896-S898 PolarHBondContact O-N 2.76Å |
| 899 | I | 41.8 | Very low | 59.4 | Low | 24 Ų | 24 | 67.7 Ų | 67.7 | 12% | 0.123 | 38% | 0.384 | C | S | . | . | trans | -88.5 | 0 | 172.5 | -59.2 | 176.1 | 0 | 0 | 0 | 107.1 | L211 L738 L887 V896 | L211-I899 HydrophobicContact CD2-CG1 4.01Å; L738-I899 VanDerWaalsContact CD1-OXT 3.23Å; L738-I899 WeakPolarHBondContact CD1-OXT 3.17Å; L738-I899 WeakPolarHBondContact CD2-OXT 3.47Å; L887-I899 HydrophobicContact CB-CD1 4.42Å; L887-I899 HydrophobicContact CB-CG2 4.06Å; L887-I899 HydrophobicContact CD1-CG2 4.16Å; V896-I899 PolarHBondContact O-N 3.25Å |
Retrieved 899 of 899 residues in 1080.7 ms
(Link to these results)