| 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 | 76.7 | Confident | 89.4 | Confident | 50 Ų | 50 | 11.6 Ų | 11.6 | 25% | 0.246 | 8% | 0.076 | C | C | . | . | 0 | 165.4 | 0 | -61.1 | 171.6 | -158.7 | 0 | 0 | 108.6 | L29 V30 H32 I172 L251 | M1-L29 HydrophobicContact CB-CD1 3.93Å; M1-L29 HydrophobicContact CE-CD1 4.13Å; M1-L29 HydrophobicContact CG-CD1 3.93Å; M1-L29 HydrophobicContact SD-CD1 3.5Å; M1-L29 WeakPolarHBondContact SD-CD1 3.44Å; M1-V30 PolarHBondContact N-O 3.1Å; M1-V30 VanDerWaalsContact N-O 3.09Å; M1-H32 PolarHBondContact O-N 3.43Å; M1-I172 HydrophobicContact SD-CD1 4.31Å; M1-L251 HydrophobicContact CE-CD2 3.4Å; M1-L251 VanDerWaalsContact CE-CD2 3.4Å; M1-L251 HydrophobicContact CE-CG 3.71Å; M1-L251 HydrophobicContact SD-CD2 3.64Å | |||
| 2 | N | 89.1 | Confident | 89.4 | Confident | 16 Ų | 16 | 11.2 Ų | 11.2 | 9% | 0.086 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 160.7 | 179.7 | -63.8 | -27.6 | 0 | 0 | 0 | 110.3 | K33 D168 T171 I172 | N2-K33 VanDerWaalsContact CA-O 3.23Å; N2-K33 WeakPolarHBondContact CA-O 3.47Å; N2-K33 HydrophobicContact CB-CB 4.46Å; N2-K33 WeakPolarHBondContact CB-O 3.37Å; N2-K33 WeakPolarHBondContact OD1-CB 3.42Å; N2-K33 PolarHBondContact OD1-N 2.97Å; N2-K33 PolarHBondContact OD1-O 2.98Å; N2-D168 PolarHBondContact ND2-OD2 2.91Å; N2-T171 HydrophobicContact CB-CG2 4.46Å; N2-T171 WeakPolarHBondContact O-CA 3.39Å; N2-I172 PolarHBondContact O-N 3.44Å |
| 3 | F | 92 | Very high | 89.6 | Confident | 1 Ų | 1 | 10.4 Ų | 10.4 | 0% | 0.004 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 149.2 | -178.6 | -82.3 | -88.5 | 0 | 0 | 0 | 111.6 | F5 I22 L29 V31 K33 I34 S35 I172 V174 I183 | F3-F5 HydrophobicContact CB-CD2 4.28Å; F3-F5 HydrophobicContact CB-CE2 3.81Å; F3-F5 HydrophobicContact CD1-CE2 4.2Å; F3-F5 HydrophobicContact CG-CE2 4.23Å; F3-I22 HydrophobicContact CD1-CD1 4.27Å; F3-I22 HydrophobicContact CE1-CD1 3.61Å; F3-I22 HydrophobicContact CE1-CG1 4.47Å; F3-I22 HydrophobicContact CE2-CD1 4.35Å; F3-I22 HydrophobicContact CZ-CD1 3.65Å; F3-I22 HydrophobicContact CZ-CG1 4.21Å; F3-L29 HydrophobicContact CE2-CD2 3.55Å; F3-L29 HydrophobicContact CE2-CG 4.14Å; F3-L29 HydrophobicContact CZ-CD2 3.56Å; F3-V31 HydrophobicContact CD2-CG1 4.44Å; F3-V31 HydrophobicContact CD2-CG2 4.07Å; F3-V31 HydrophobicContact CE2-CG2 4.14Å; F3-K33 PolarHBondContact N-O 2.87Å; F3-I34 HydrophobicContact CB-CD1 4.11Å; F3-I34 HydrophobicContact CB-CG1 3.87Å; F3-I34 CarbonylContact O-C 3.58Å; F3-I34 VanDerWaalsContact O-CA 3.28Å; F3-I34 WeakPolarHBondContact O-CA 3.39Å; F3-S35 PolarHBondContact O-N 2.8Å; F3-S35 PolarHBondContact O-OG 3.41Å; F3-I172 CarbonylContact C-O 3.56Å; F3-I172 VanDerWaalsContact CA-O 3.28Å; F3-I172 WeakPolarHBondContact CA-O 3.45Å; F3-I172 HydrophobicContact CD1-CB 3.71Å; F3-I172 HydrophobicContact CD1-CG2 3.9Å; F3-I172 HydrophobicContact CE1-CB 3.77Å; F3-I172 HydrophobicContact CE1-CD1 3.96Å; F3-I172 HydrophobicContact CE1-CG1 4.48Å; F3-I172 HydrophobicContact CE1-CG2 3.66Å; F3-I172 HydrophobicContact CE2-CD1 4.31Å; F3-I172 HydrophobicContact CG-CB 4.36Å; F3-I172 HydrophobicContact CZ-CB 4.46Å; F3-I172 HydrophobicContact CZ-CD1 3.82Å; F3-V174 HydrophobicContact CD1-CG2 4.15Å; F3-I183 HydrophobicContact CE1-CD1 4.39Å |
| 4 | S | 94.7 | Very high | 90 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 129.2 | 170.2 | -171.4 | 0 | 0 | 0 | 0 | 111.3 | S35 L164 P165 I172 V174 | S4-S35 WeakPolarHBondContact CA-O 3.25Å; S4-S35 WeakPolarHBondContact CA-OG 3.25Å; S4-S35 VanDerWaalsContact CB-OG 3.26Å; S4-S35 WeakPolarHBondContact CB-OG 3.15Å; S4-S35 PolarHBondContact OG-OG 2.94Å; S4-L164 WeakPolarHBondContact OG-CD1 3.4Å; S4-P165 VanDerWaalsContact CB-O 3.29Å; S4-P165 WeakPolarHBondContact CB-O 3.34Å; S4-P165 PolarHBondContact OG-O 3.01Å; S4-I172 PolarHBondContact N-O 3.19Å; S4-V174 WeakPolarHBondContact O-CB 3.33Å; S4-V174 PolarHBondContact O-N 2.71Å |
| 5 | F | 95.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 119.5 | -177.2 | -76.9 | -101.3 | 0 | 0 | 0 | 111.3 | F3 H15 V18 I22 I34 S35 G36 A37 G40 A43 L47 V174 | F3-F5 HydrophobicContact CB-CD2 4.28Å; F3-F5 HydrophobicContact CB-CE2 3.81Å; F3-F5 HydrophobicContact CD1-CE2 4.2Å; F3-F5 HydrophobicContact CG-CE2 4.23Å; F5-H15 HydrophobicContact CD1-CB 3.98Å; F5-H15 AromaticContact CD1-CE1 3.99Å; F5-H15 AromaticContact CD1-CG 3.74Å; F5-H15 AromaticContact CD1-ND1 3.63Å; F5-H15 HydrophobicContact CE1-CB 4.29Å; F5-V18 HydrophobicContact CE1-CB 4.2Å; F5-V18 HydrophobicContact CE1-CG1 3.78Å; F5-V18 HydrophobicContact CZ-CG1 3.98Å; F5-I22 HydrophobicContact CZ-CD1 4.26Å; F5-I34 HydrophobicContact CD2-CD1 3.9Å; F5-I34 HydrophobicContact CD2-CG1 3.97Å; F5-I34 HydrophobicContact CE2-CD1 3.57Å; F5-I34 HydrophobicContact CE2-CG1 4.08Å; F5-S35 PolarHBondContact N-O 2.83Å; F5-G36 WeakPolarHBondContact O-CA 3.19Å; F5-A37 PolarHBondContact O-N 2.89Å; F5-G40 WeakPolarHBondContact CB-O 3.44Å; F5-A43 HydrophobicContact CD1-CB 4.17Å; F5-L47 HydrophobicContact CE2-CD1 3.94Å; F5-L47 HydrophobicContact CZ-CD1 3.67Å; F5-V174 HydrophobicContact CD1-CB 3.92Å; F5-V174 HydrophobicContact CD1-CG1 3.91Å; F5-V174 HydrophobicContact CD1-CG2 4.24Å; F5-V174 HydrophobicContact CD2-CG2 4.42Å; F5-V174 HydrophobicContact CE1-CB 4.09Å; F5-V174 HydrophobicContact CE1-CG1 3.88Å; F5-V174 HydrophobicContact CE1-CG2 4.01Å; F5-V174 HydrophobicContact CE2-CG2 4.18Å; F5-V174 HydrophobicContact CG-CB 4.23Å; F5-V174 HydrophobicContact CG-CG2 4.44Å; F5-V174 HydrophobicContact CZ-CG2 3.97Å |
| 6 | S | 94.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 6% | 0.058 | C | C | . | . | trans | -67.7 | 152 | -173.3 | 91.3 | 0 | 0 | 0 | 0 | 113.6 | C8 H15 G40 N163 V174 P176 | S6-C8 PolarHBondContact O-SG 3.43Å; S6-H15 PolarHBondContact O-NE2 3.49Å; S6-G40 WeakPolarHBondContact O-CA 3.04Å; S6-G40 PolarHBondContact O-N 2.97Å; S6-N163 CarbonylContact C-O 3.23Å; S6-N163 WeakPolarHBondContact CA-O 3.49Å; S6-V174 PolarHBondContact N-O 3.17Å; S6-P176 WeakPolarHBondContact OG-CD 3.24Å | ||
| 7 | G | 90.8 | Very high | 90.6 | Very high | 4 Ų | 4 | 8.4 Ų | 8.4 | 4% | 0.041 | 6% | 0.055 | C | C | . | . | trans | -61.2 | 141.9 | 161.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A37 N163 | G7-A37 WeakPolarHBondContact CA-O 3.26Å; G7-A37 PolarHBondContact N-O 2.92Å; G7-N163 WeakPolarHBondContact CA-OD1 3.23Å; G7-N163 PolarHBondContact N-O 3.44Å; G7-N163 PolarHBondContact N-OD1 2.81Å; G7-N163 PolarHBondContact O-ND2 2.9Å | ||
| 8 | C | 87.7 | Confident | 90.7 | Very high | 7 Ų | 7 | 7.9 Ų | 7.9 | 5% | 0.047 | 5% | 0.052 | C | C | . | . | trans | -164.4 | -1.8 | -164.6 | 57.3 | 0 | 0 | 0 | 0 | 116.7 | S6 F10 L11 H15 P176 A216 | S6-C8 PolarHBondContact O-SG 3.43Å; C8-F10 PolarHBondContact O-N 3.21Å; C8-L11 HydrophobicContact CB-CB 4.05Å; C8-L11 WeakPolarHBondContact O-CB 3.34Å; C8-L11 PolarHBondContact O-N 3.08Å; C8-H15 PolarHBondContact SG-CD2 3.44Å; C8-P176 HydrophobicContact CB-CG 3.55Å; C8-A216 WeakPolarHBondContact O-CB 3.25Å | ||
| 9 | G | 87 | Confident | 90.8 | Very high | 31 Ų | 31 | 7.6 Ų | 7.6 | 32% | 0.32 | 5% | 0.05 | S | C | . | . | G | 310 helix | trans | 52.3 | -128.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L11 G12 | G9-L11 PolarHBondContact O-N 3.31Å; G9-G12 PolarHBondContact O-N 2.81Å; G9-G12 VanDerWaalsContact O-N 3.14Å |
| 10 | F | 86.7 | Confident | 90.8 | Very high | 14 Ų | 14 | 7.4 Ų | 7.4 | 6% | 0.061 | 5% | 0.049 | C | C | . | . | G | 310 helix | trans | -67.4 | -12.3 | -180 | -78.5 | -72.1 | 0 | 0 | 0 | 114.9 | C8 G12 V63 S64 A67 P74 F79 Y142 A216 P219 | C8-F10 PolarHBondContact O-N 3.21Å; F10-G12 PolarHBondContact O-N 3.3Å; F10-V63 HydrophobicContact CE1-CB 4.25Å; F10-V63 HydrophobicContact CE1-CG1 3.78Å; F10-V63 HydrophobicContact CZ-CG1 3.94Å; F10-S64 VanDerWaalsContact CD1-OG 3.24Å; F10-S64 WeakPolarHBondContact CD1-OG 3.34Å; F10-S64 WeakPolarHBondContact CE1-OG 3.18Å; F10-A67 HydrophobicContact CZ-CB 4.1Å; F10-P74 HydrophobicContact CE2-CG 3.99Å; F10-F79 HydrophobicContact CZ-CZ 4.37Å; F10-Y142 WeakPolarHBondContact CD2-OH 3.36Å; F10-Y142 WeakPolarHBondContact CE2-OH 3.44Å; F10-A216 PolarHBondContact N-O 3.29Å; F10-P219 HydrophobicContact CB-CB 4.15Å; F10-P219 HydrophobicContact CD1-CB 3.8Å; F10-P219 HydrophobicContact CD1-CG 4.08Å; F10-P219 HydrophobicContact CD2-CB 4.09Å; F10-P219 HydrophobicContact CD2-CG 3.84Å; F10-P219 HydrophobicContact CE1-CB 4.17Å; F10-P219 HydrophobicContact CE1-CG 4.01Å; F10-P219 HydrophobicContact CE2-CB 4.42Å; F10-P219 HydrophobicContact CE2-CG 3.75Å; F10-P219 HydrophobicContact CG-CB 3.75Å; F10-P219 HydrophobicContact CG-CG 3.99Å; F10-P219 HydrophobicContact CZ-CB 4.46Å; F10-P219 HydrophobicContact CZ-CG 3.84Å |
| 11 | L | 88.9 | Confident | 90.7 | Very high | 5 Ų | 5 | 7 Ų | 7 | 3% | 0.026 | 5% | 0.046 | C | C | . | . | G | 310 helix | trans | -72.8 | 0 | 169.6 | -78.6 | -179.8 | 0 | 0 | 0 | 113.9 | C8 G9 I13 Y14 P176 F177 R212 V215 A216 M228 | C8-L11 HydrophobicContact CB-CB 4.05Å; C8-L11 WeakPolarHBondContact O-CB 3.34Å; C8-L11 PolarHBondContact O-N 3.08Å; G9-L11 PolarHBondContact O-N 3.31Å; L11-I13 PolarHBondContact O-N 3.09Å; L11-Y14 VanDerWaalsContact O-CB 3.3Å; L11-Y14 WeakPolarHBondContact O-CB 3.5Å; L11-Y14 PolarHBondContact O-N 2.78Å; L11-P176 HydrophobicContact CB-CB 4.15Å; L11-P176 HydrophobicContact CB-CG 4.1Å; L11-P176 HydrophobicContact CD1-CB 4.22Å; L11-P176 HydrophobicContact CD1-CG 4.32Å; L11-F177 HydrophobicContact CD1-CE1 3.93Å; L11-F177 HydrophobicContact CD1-CZ 4.24Å; L11-R212 HydrophobicContact CD1-CB 3.73Å; L11-R212 HydrophobicContact CD1-CG 4.16Å; L11-R212 VanDerWaalsContact CD1-O 3.27Å; L11-R212 WeakPolarHBondContact CD1-O 3.11Å; L11-V215 HydrophobicContact CD1-CG2 4.26Å; L11-V215 HydrophobicContact CD2-CG2 3.77Å; L11-V215 HydrophobicContact CG-CG2 4.07Å; L11-A216 HydrophobicContact CD1-CB 4.18Å; L11-A216 HydrophobicContact CG-CB 4.22Å; L11-M228 HydrophobicContact CD2-CE 4.33Å; L11-M228 HydrophobicContact CD2-CG 4.35Å; L11-M228 HydrophobicContact CD2-SD 3.51Å; L11-M228 VanDerWaalsContact CD2-SD 3.51Å |
| 12 | G | 89.3 | Confident | 91.2 | Very high | 6 Ų | 6 | 5 Ų | 5 | 6% | 0.062 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -54.3 | -17 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | G9 F10 Y14 H15 V16 | G9-G12 PolarHBondContact O-N 2.81Å; G9-G12 VanDerWaalsContact O-N 3.14Å; F10-G12 PolarHBondContact O-N 3.3Å; G12-Y14 VanDerWaalsContact C-N 3.28Å; G12-Y14 PolarHBondContact O-N 3.09Å; G12-H15 WeakPolarHBondContact O-CB 3.29Å; G12-H15 PolarHBondContact O-N 3.44Å; G12-H15 VanDerWaalsContact O-N 3.17Å; G12-V16 PolarHBondContact O-N 3.08Å; G12-V16 VanDerWaalsContact O-N 3.15Å |
| 13 | I | 91.7 | Very high | 90.9 | Very high | 1 Ų | 1 | 7.5 Ų | 7.5 | 1% | 0.005 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -62.7 | -29.8 | 170.3 | -161 | 69.8 | 0 | 0 | 0 | 113.4 | L11 V16 G17 I60 L61 M225 M228 C229 L341 | L11-I13 PolarHBondContact O-N 3.09Å; I13-V16 WeakPolarHBondContact O-CB 3.47Å; I13-V16 PolarHBondContact O-N 3.03Å; I13-G17 PolarHBondContact O-N 3.29Å; I13-I60 HydrophobicContact CB-CG2 4.2Å; I13-I60 HydrophobicContact CD1-CG2 4.16Å; I13-L61 HydrophobicContact CD1-CG 4.49Å; I13-M225 HydrophobicContact CB-CE 3.95Å; I13-M225 HydrophobicContact CG1-CB 4.29Å; I13-M225 HydrophobicContact CG1-CE 4.38Å; I13-M225 HydrophobicContact CG2-CB 4.19Å; I13-M225 HydrophobicContact CG2-CE 3.93Å; I13-M228 HydrophobicContact CG2-CB 4.08Å; I13-C229 HydrophobicContact CG1-CB 3.94Å; I13-L341 HydrophobicContact CD1-CD2 4.41Å |
| 14 | Y | 94.8 | Very high | 90.4 | Very high | 3 Ų | 3 | 11.3 Ų | 11.3 | 1% | 0.012 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -63.1 | -45.4 | 170.8 | 174.5 | -87.3 | 0 | 0 | 0 | 110.6 | L11 G12 V16 G17 V18 V174 S175 P176 I183 C184 P185 Q231 G232 D235 | L11-Y14 VanDerWaalsContact O-CB 3.3Å; L11-Y14 WeakPolarHBondContact O-CB 3.5Å; L11-Y14 PolarHBondContact O-N 2.78Å; G12-Y14 VanDerWaalsContact C-N 3.28Å; G12-Y14 PolarHBondContact O-N 3.09Å; Y14-V16 VanDerWaalsContact C-N 3.26Å; Y14-V16 PolarHBondContact O-N 3.46Å; Y14-G17 WeakPolarHBondContact O-CA 3.42Å; Y14-G17 PolarHBondContact O-N 3.34Å; Y14-V18 HydrophobicContact CD1-CG2 3.94Å; Y14-V18 HydrophobicContact CE1-CG2 3.62Å; Y14-V18 PolarHBondContact O-N 3.41Å; Y14-V174 HydrophobicContact CE1-CG1 4.23Å; Y14-S175 WeakPolarHBondContact CE1-O 3.42Å; Y14-P176 HydrophobicContact CD1-CB 3.63Å; Y14-P176 HydrophobicContact CD2-CB 4.32Å; Y14-P176 HydrophobicContact CE1-CB 4.23Å; Y14-P176 HydrophobicContact CG-CB 3.69Å; Y14-I183 PolarHBondContact OH-O 2.7Å; Y14-C184 WeakPolarHBondContact OH-CA 3.34Å; Y14-P185 HydrophobicContact CE2-CG 3.77Å; Y14-Q231 HydrophobicContact CE2-CG 4.16Å; Y14-G232 VanDerWaalsContact CD2-CA 3.43Å; Y14-D235 PolarHBondContact OH-OD2 2.8Å |
| 15 | H | 94.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64.3 | -28 | 177.5 | -65.9 | -33.1 | 0 | 0 | 0 | 112.8 | F5 S6 C8 G12 G17 V18 A19 A43 | F5-H15 HydrophobicContact CD1-CB 3.98Å; F5-H15 AromaticContact CD1-CE1 3.99Å; F5-H15 AromaticContact CD1-CG 3.74Å; F5-H15 AromaticContact CD1-ND1 3.63Å; F5-H15 HydrophobicContact CE1-CB 4.29Å; S6-H15 PolarHBondContact O-NE2 3.49Å; C8-H15 PolarHBondContact SG-CD2 3.44Å; G12-H15 WeakPolarHBondContact O-CB 3.29Å; G12-H15 PolarHBondContact O-N 3.44Å; G12-H15 VanDerWaalsContact O-N 3.17Å; H15-G17 VanDerWaalsContact C-N 3.35Å; H15-V18 PolarHBondContact O-N 3.03Å; H15-A19 VanDerWaalsContact O-CB 3.27Å; H15-A19 WeakPolarHBondContact O-CB 3.42Å; H15-A19 PolarHBondContact O-N 3.09Å; H15-A43 HydrophobicContact CB-CB 3.59Å |
| 16 | V | 93.1 | Very high | 88.7 | Confident | 4 Ų | 4 | 11.8 Ų | 11.8 | 2% | 0.024 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -65.2 | -38.7 | 169 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | G12 I13 Y14 A20 V56 C57 I60 V337 | G12-V16 PolarHBondContact O-N 3.08Å; G12-V16 VanDerWaalsContact O-N 3.15Å; I13-V16 WeakPolarHBondContact O-CB 3.47Å; I13-V16 PolarHBondContact O-N 3.03Å; Y14-V16 VanDerWaalsContact C-N 3.26Å; Y14-V16 PolarHBondContact O-N 3.46Å; V16-A20 VanDerWaalsContact O-CB 3.25Å; V16-A20 WeakPolarHBondContact O-CB 3.36Å; V16-A20 PolarHBondContact O-N 3.28Å; V16-V56 HydrophobicContact CG2-CG1 4.1Å; V16-C57 HydrophobicContact CG1-CB 4.13Å; V16-I60 HydrophobicContact CG2-CD1 3.61Å; V16-V337 HydrophobicContact CG1-CG1 4.26Å |
| 17 | G | 92.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.4 | -46.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | I13 Y14 H15 A20 A21 C229 F233 | I13-G17 PolarHBondContact O-N 3.29Å; Y14-G17 WeakPolarHBondContact O-CA 3.42Å; Y14-G17 PolarHBondContact O-N 3.34Å; H15-G17 VanDerWaalsContact C-N 3.35Å; G17-A20 WeakPolarHBondContact O-CB 3.38Å; G17-A20 PolarHBondContact O-N 2.92Å; G17-A21 PolarHBondContact O-N 3.33Å; G17-C229 VanDerWaalsContact CA-O 3.31Å; G17-C229 WeakPolarHBondContact CA-O 3.48Å; G17-F233 WeakPolarHBondContact O-CA 2.78Å |
| 18 | V | 93.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.9 | -51.5 | 175 | 175.3 | 0 | 0 | 0 | 0 | 111.1 | F5 Y14 H15 A20 A21 I22 V174 I183 G232 T236 | F5-V18 HydrophobicContact CE1-CB 4.2Å; F5-V18 HydrophobicContact CE1-CG1 3.78Å; F5-V18 HydrophobicContact CZ-CG1 3.98Å; Y14-V18 HydrophobicContact CD1-CG2 3.94Å; Y14-V18 HydrophobicContact CE1-CG2 3.62Å; Y14-V18 PolarHBondContact O-N 3.41Å; H15-V18 PolarHBondContact O-N 3.03Å; V18-A20 PolarHBondContact O-N 3.2Å; V18-A21 PolarHBondContact O-N 2.92Å; V18-A21 VanDerWaalsContact O-N 3.15Å; V18-I22 HydrophobicContact CG1-CD1 3.83Å; V18-I22 HydrophobicContact CG1-CG1 4.49Å; V18-I22 WeakPolarHBondContact O-CG1 3.38Å; V18-I22 PolarHBondContact O-N 3.36Å; V18-V174 HydrophobicContact CB-CG1 4.23Å; V18-V174 HydrophobicContact CG1-CG1 3.86Å; V18-V174 HydrophobicContact CG1-CG2 4.25Å; V18-V174 HydrophobicContact CG2-CG1 3.76Å; V18-I183 HydrophobicContact CG1-CD1 4.42Å; V18-I183 HydrophobicContact CG1-CG2 4.45Å; V18-I183 HydrophobicContact CG2-CG2 4.06Å; V18-G232 WeakPolarHBondContact CG2-O 3.19Å; V18-T236 WeakPolarHBondContact CA-OG1 3.45Å; V18-T236 HydrophobicContact CG1-CG2 4.48Å; V18-T236 WeakPolarHBondContact CG1-OG1 3.17Å; V18-T236 WeakPolarHBondContact CG2-OG1 3.28Å |
| 19 | A | 92.2 | Very high | 85.5 | Confident | 2 Ų | 2 | 18.8 Ų | 18.8 | 2% | 0.017 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.1 | -35.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | H15 K23 L47 L53 | H15-A19 VanDerWaalsContact O-CB 3.27Å; H15-A19 WeakPolarHBondContact O-CB 3.42Å; H15-A19 PolarHBondContact O-N 3.09Å; A19-K23 WeakPolarHBondContact O-CB 3.23Å; A19-K23 PolarHBondContact O-N 3.15Å; A19-L47 HydrophobicContact CB-CD1 4.01Å; A19-L47 HydrophobicContact CB-CD2 3.81Å; A19-L47 HydrophobicContact CB-CG 3.89Å; A19-L53 HydrophobicContact CB-CD1 4.16Å; A19-L53 HydrophobicContact CB-CD2 4.07Å |
| 20 | A | 90.9 | Very high | 84.2 | Confident | 3 Ų | 3 | 21.6 Ų | 21.6 | 3% | 0.025 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67.4 | -42.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V16 G17 V18 K23 E24 L53 F233 P334 | V16-A20 VanDerWaalsContact O-CB 3.25Å; V16-A20 WeakPolarHBondContact O-CB 3.36Å; V16-A20 PolarHBondContact O-N 3.28Å; G17-A20 WeakPolarHBondContact O-CB 3.38Å; G17-A20 PolarHBondContact O-N 2.92Å; V18-A20 PolarHBondContact O-N 3.2Å; A20-K23 PolarHBondContact O-N 3.45Å; A20-E24 WeakPolarHBondContact O-CB 3.47Å; A20-E24 PolarHBondContact O-N 2.86Å; A20-L53 HydrophobicContact CB-CD1 4.08Å; A20-F233 HydrophobicContact CB-CD2 4.03Å; A20-F233 HydrophobicContact CB-CE2 4.4Å; A20-P334 HydrophobicContact CB-CG 4.02Å |
| 21 | A | 88.2 | Confident | 83.5 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.9 | -43.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G17 V18 K23 E24 Y25 F233 T236 | G17-A21 PolarHBondContact O-N 3.33Å; V18-A21 PolarHBondContact O-N 2.92Å; V18-A21 VanDerWaalsContact O-N 3.15Å; A21-K23 PolarHBondContact O-N 2.89Å; A21-E24 PolarHBondContact O-N 3.06Å; A21-Y25 WeakPolarHBondContact O-CD2 3.49Å; A21-Y25 PolarHBondContact O-N 2.95Å; A21-F233 HydrophobicContact CB-CD2 3.62Å; A21-F233 HydrophobicContact CB-CE2 4.06Å; A21-F233 HydrophobicContact CB-CG 4.13Å; A21-T236 HydrophobicContact CB-CG2 3.5Å; A21-T236 VanDerWaalsContact CB-CG2 3.5Å |
| 22 | I | 86.8 | Confident | 83.1 | Confident | 7 Ų | 7 | 27.1 Ų | 27.1 | 4% | 0.036 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.8 | -49.9 | 173.7 | -64.1 | 166.4 | 0 | 0 | 0 | 110 | F3 F5 V18 E24 A26 L29 T236 | F3-I22 HydrophobicContact CD1-CD1 4.27Å; F3-I22 HydrophobicContact CE1-CD1 3.61Å; F3-I22 HydrophobicContact CE1-CG1 4.47Å; F3-I22 HydrophobicContact CE2-CD1 4.35Å; F3-I22 HydrophobicContact CZ-CD1 3.65Å; F3-I22 HydrophobicContact CZ-CG1 4.21Å; F5-I22 HydrophobicContact CZ-CD1 4.26Å; V18-I22 HydrophobicContact CG1-CD1 3.83Å; V18-I22 HydrophobicContact CG1-CG1 4.49Å; V18-I22 WeakPolarHBondContact O-CG1 3.38Å; V18-I22 PolarHBondContact O-N 3.36Å; I22-E24 PolarHBondContact O-N 2.73Å; I22-A26 CarbonylContact O-C 3.48Å; I22-A26 VanDerWaalsContact O-C 3.23Å; I22-A26 WeakPolarHBondContact O-CA 3.45Å; I22-A26 PolarHBondContact O-N 3.23Å; I22-L29 HydrophobicContact CG2-CD2 4.45Å; I22-T236 HydrophobicContact CG1-CG2 4.03Å |
| 23 | K | 84.4 | Confident | 83.2 | Confident | 70 Ų | 70 | 31.1 Ų | 31.1 | 30% | 0.304 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -69.4 | -27.2 | -175.1 | -168.2 | 169.3 | -171.9 | 162.7 | 0 | 114.3 | A19 A20 A21 N50 L51 L53 | A19-K23 WeakPolarHBondContact O-CB 3.23Å; A19-K23 PolarHBondContact O-N 3.15Å; A20-K23 PolarHBondContact O-N 3.45Å; A21-K23 PolarHBondContact O-N 2.89Å; K23-N50 WeakPolarHBondContact CE-OD1 3.26Å; K23-N50 PolarHBondContact NZ-O 3.3Å; K23-N50 PolarHBondContact NZ-OD1 3.4Å; K23-L51 PolarHBondContact NZ-O 3.24Å; K23-L53 HydrophobicContact CB-CD1 4.36Å; K23-L53 HydrophobicContact CD-CD1 3.91Å; K23-L53 HydrophobicContact CD-CG 4.33Å |
| 24 | E | 81.4 | Confident | 83.3 | Confident | 80 Ų | 80 | 31 Ų | 31 | 37% | 0.374 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -88.9 | -40.1 | 178 | -174.1 | 178.1 | -177.9 | 0 | 0 | 113.2 | A20 A21 I22 | A20-E24 WeakPolarHBondContact O-CB 3.47Å; A20-E24 PolarHBondContact O-N 2.86Å; A21-E24 PolarHBondContact O-N 3.06Å; I22-E24 PolarHBondContact O-N 2.73Å |
| 25 | Y | 77.5 | Confident | 83.3 | Confident | 7 Ų | 7 | 30.9 Ų | 30.9 | 3% | 0.027 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -105.4 | -29.7 | -170 | -65.1 | -89.8 | 0 | 0 | 0 | 114.2 | A21 P27 F233 L237 L254 I255 S256 A328 K331 | A21-Y25 WeakPolarHBondContact O-CD2 3.49Å; A21-Y25 PolarHBondContact O-N 2.95Å; Y25-P27 VanDerWaalsContact O-CD 3.3Å; Y25-P27 WeakPolarHBondContact O-CD 3.31Å; Y25-F233 HydrophobicContact CE2-CE2 4.14Å; Y25-F233 AromaticContact CE2-CZ 3.72Å; Y25-F233 HydrophobicContact CE2-CZ 3.72Å; Y25-L237 HydrophobicContact CD1-CD2 4.08Å; Y25-L237 HydrophobicContact CD2-CD2 3.61Å; Y25-L237 HydrophobicContact CE1-CD2 4.4Å; Y25-L237 HydrophobicContact CE2-CD2 3.98Å; Y25-L237 HydrophobicContact CG-CD2 3.69Å; Y25-L254 VanDerWaalsContact O-O 3.09Å; Y25-I255 HydrophobicContact CD1-CG2 4.39Å; Y25-I255 WeakPolarHBondContact O-CA 3.36Å; Y25-S256 PolarHBondContact O-N 2.61Å; Y25-A328 HydrophobicContact CD1-CB 3.86Å; Y25-A328 HydrophobicContact CE1-CB 3.28Å; Y25-K331 VanDerWaalsContact OH-CD 3.24Å; Y25-K331 WeakPolarHBondContact OH-CD 3.31Å |
| 26 | A | 75.4 | Confident | 83.4 | Confident | 3 Ų | 3 | 30.9 Ų | 30.9 | 3% | 0.025 | 16% | 0.16 | C | C | . | . | trans | -117.4 | 50.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I22 D28 L29 L240 L254 | I22-A26 CarbonylContact O-C 3.48Å; I22-A26 VanDerWaalsContact O-C 3.23Å; I22-A26 WeakPolarHBondContact O-CA 3.45Å; I22-A26 PolarHBondContact O-N 3.23Å; A26-D28 PolarHBondContact O-N 3.1Å; A26-L29 HydrophobicContact CB-CB 3.99Å; A26-L29 HydrophobicContact CB-CD2 4.21Å; A26-L29 WeakPolarHBondContact O-CB 3.4Å; A26-L29 PolarHBondContact O-N 3.18Å; A26-L240 HydrophobicContact CB-CD1 4.23Å; A26-L240 HydrophobicContact CB-CD2 4.24Å; A26-L254 VanDerWaalsContact CA-O 3.27Å; A26-L254 WeakPolarHBondContact CA-O 3.36Å; A26-L254 HydrophobicContact CB-CD2 4.44Å; A26-L254 VanDerWaalsContact CB-O 3.26Å; A26-L254 WeakPolarHBondContact CB-O 3.38Å | ||
| 27 | P | 71.3 | Confident | 83.5 | Confident | 76 Ų | 76 | 30.7 Ų | 30.7 | 49% | 0.494 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -23.7 | -177.8 | 30.7 | -37.2 | 0 | 0 | 0 | 113.5 | Y25 L29 | Y25-P27 VanDerWaalsContact O-CD 3.3Å; Y25-P27 WeakPolarHBondContact O-CD 3.31Å; P27-L29 PolarHBondContact O-N 3.09Å |
| 28 | D | 64.6 | Low | 83.5 | Confident | 63 Ų | 63 | 31 Ų | 31 | 34% | 0.337 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -8.8 | 174 | -61.3 | -22.2 | 0 | 0 | 0 | 112.4 | A26 V30 S256 R264 | A26-D28 PolarHBondContact O-N 3.1Å; D28-V30 VanDerWaalsContact C-N 3.35Å; D28-V30 PolarHBondContact O-N 2.81Å; D28-S256 VanDerWaalsContact OD2-CB 3.27Å; D28-S256 WeakPolarHBondContact OD2-CB 3.35Å; D28-S256 PolarHBondContact OD2-OG 2.7Å; D28-R264 IonicContact OD2-NH1 3.26Å |
| 29 | L | 69.9 | Low | 83.4 | Confident | 20 Ų | 20 | 31.5 Ų | 31.5 | 11% | 0.105 | 17% | 0.166 | C | C | . | . | trans | -75.2 | 87.7 | -179 | -173.2 | 54.8 | 0 | 0 | 0 | 110 | M1 F3 I22 A26 P27 V31 L254 | M1-L29 HydrophobicContact CB-CD1 3.93Å; M1-L29 HydrophobicContact CE-CD1 4.13Å; M1-L29 HydrophobicContact CG-CD1 3.93Å; M1-L29 HydrophobicContact SD-CD1 3.5Å; M1-L29 WeakPolarHBondContact SD-CD1 3.44Å; F3-L29 HydrophobicContact CE2-CD2 3.55Å; F3-L29 HydrophobicContact CE2-CG 4.14Å; F3-L29 HydrophobicContact CZ-CD2 3.56Å; I22-L29 HydrophobicContact CG2-CD2 4.45Å; A26-L29 HydrophobicContact CB-CB 3.99Å; A26-L29 HydrophobicContact CB-CD2 4.21Å; A26-L29 WeakPolarHBondContact O-CB 3.4Å; A26-L29 PolarHBondContact O-N 3.18Å; P27-L29 PolarHBondContact O-N 3.09Å; L29-V31 PolarHBondContact O-N 3.08Å; L29-L254 HydrophobicContact CD1-CD2 3.96Å; L29-L254 HydrophobicContact CD2-CD2 3.91Å; L29-L254 HydrophobicContact CG-CD2 4.38Å | ||
| 30 | V | 60.1 | Low | 83.5 | Confident | 89 Ų | 89 | 31.4 Ų | 31.4 | 54% | 0.539 | 17% | 0.165 | S | C | . | . | trans | -59.7 | 105.8 | 173.4 | -173.6 | 0 | 0 | 0 | 0 | 108.6 | M1 D28 H32 | M1-V30 PolarHBondContact N-O 3.1Å; M1-V30 VanDerWaalsContact N-O 3.09Å; D28-V30 VanDerWaalsContact C-N 3.35Å; D28-V30 PolarHBondContact O-N 2.81Å; V30-H32 WeakPolarHBondContact CG1-NE2 3.2Å; V30-H32 PolarHBondContact O-CD2 3.43Å; V30-H32 PolarHBondContact O-N 3.08Å | ||
| 31 | V | 72.1 | Confident | 83.7 | Confident | 24 Ų | 24 | 31.3 Ų | 31.3 | 15% | 0.145 | 16% | 0.164 | C | C | . | . | trans | -76.4 | 94.7 | 167.9 | -177.5 | 0 | 0 | 0 | 0 | 106.4 | F3 L29 I34 I48 | F3-V31 HydrophobicContact CD2-CG1 4.44Å; F3-V31 HydrophobicContact CD2-CG2 4.07Å; F3-V31 HydrophobicContact CE2-CG2 4.14Å; L29-V31 PolarHBondContact O-N 3.08Å; V31-I34 HydrophobicContact CG1-CB 3.86Å; V31-I34 HydrophobicContact CG1-CD1 4.11Å; V31-I34 HydrophobicContact CG1-CG1 4.45Å; V31-I48 HydrophobicContact CB-CD1 4.49Å; V31-I48 HydrophobicContact CG1-CD1 3.93Å | ||
| 32 | H | 80.1 | Confident | 83.9 | Confident | 111 Ų | 111 | 33.5 Ų | 33.5 | 51% | 0.514 | 18% | 0.175 | S | C | . | . | trans | -73.4 | -47.8 | 179.9 | -68.3 | -105 | 0 | 0 | 0 | 109.8 | M1 V30 R104 | M1-H32 PolarHBondContact O-N 3.43Å; V30-H32 WeakPolarHBondContact CG1-NE2 3.2Å; V30-H32 PolarHBondContact O-CD2 3.43Å; V30-H32 PolarHBondContact O-N 3.08Å; H32-R104 WeakPolarHBondContact O-CB 3.11Å; H32-R104 WeakPolarHBondContact O-CG 3.21Å | ||
| 33 | K | 91.5 | Very high | 84.2 | Confident | 90 Ų | 90 | 33.4 Ų | 33.4 | 39% | 0.391 | 18% | 0.176 | S | C | . | . | trans | -131.4 | 149 | 172.6 | -54.5 | 176.4 | 179.3 | 174.6 | 0 | 110.2 | N2 F3 R104 F106 L167 | N2-K33 VanDerWaalsContact CA-O 3.23Å; N2-K33 WeakPolarHBondContact CA-O 3.47Å; N2-K33 HydrophobicContact CB-CB 4.46Å; N2-K33 WeakPolarHBondContact CB-O 3.37Å; N2-K33 WeakPolarHBondContact OD1-CB 3.42Å; N2-K33 PolarHBondContact OD1-N 2.97Å; N2-K33 PolarHBondContact OD1-O 2.98Å; F3-K33 PolarHBondContact N-O 2.87Å; K33-R104 CarbonylContact C-O 3.57Å; K33-R104 VanDerWaalsContact CA-O 3.26Å; K33-R104 WeakPolarHBondContact CA-O 3.33Å; K33-F106 HydrophobicContact CB-CD2 4.22Å; K33-F106 HydrophobicContact CB-CE2 3.91Å; K33-F106 HydrophobicContact CD-CE2 3.75Å; K33-F106 HydrophobicContact CD-CZ 4Å; K33-F106 HydrophobicContact CG-CE2 3.84Å; K33-L167 HydrophobicContact CB-CD1 3.55Å; K33-L167 HydrophobicContact CD-CD1 4.28Å | ||
| 34 | I | 94.1 | Very high | 84.6 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 148.9 | 172.7 | -162.3 | 156.8 | 0 | 0 | 0 | 108.5 | F3 F5 V31 A44 L47 I48 R104 L105 F106 | F3-I34 HydrophobicContact CB-CD1 4.11Å; F3-I34 HydrophobicContact CB-CG1 3.87Å; F3-I34 CarbonylContact O-C 3.58Å; F3-I34 VanDerWaalsContact O-CA 3.28Å; F3-I34 WeakPolarHBondContact O-CA 3.39Å; F5-I34 HydrophobicContact CD2-CD1 3.9Å; F5-I34 HydrophobicContact CD2-CG1 3.97Å; F5-I34 HydrophobicContact CE2-CD1 3.57Å; F5-I34 HydrophobicContact CE2-CG1 4.08Å; V31-I34 HydrophobicContact CG1-CB 3.86Å; V31-I34 HydrophobicContact CG1-CD1 4.11Å; V31-I34 HydrophobicContact CG1-CG1 4.45Å; I34-A44 HydrophobicContact CB-CB 4.4Å; I34-A44 HydrophobicContact CD1-CB 3.95Å; I34-A44 HydrophobicContact CG1-CB 3.68Å; I34-A44 HydrophobicContact CG2-CB 3.86Å; I34-L47 HydrophobicContact CD1-CB 4.13Å; I34-L47 HydrophobicContact CD1-CD1 3.78Å; I34-I48 HydrophobicContact CB-CG1 4.28Å; I34-I48 HydrophobicContact CG2-CD1 3.94Å; I34-I48 HydrophobicContact CG2-CG1 3.3Å; I34-R104 PolarHBondContact N-O 3.28Å; I34-L105 HydrophobicContact CG2-CB 4.42Å; I34-L105 HydrophobicContact CG2-CD1 3.66Å; I34-L105 WeakPolarHBondContact O-CA 3.18Å; I34-F106 PolarHBondContact O-N 2.92Å |
| 35 | S | 95.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 164.1 | 178.9 | 58.4 | 0 | 0 | 0 | 0 | 111.6 | F3 S4 F5 F106 P165 | F3-S35 PolarHBondContact O-N 2.8Å; F3-S35 PolarHBondContact O-OG 3.41Å; S4-S35 WeakPolarHBondContact CA-O 3.25Å; S4-S35 WeakPolarHBondContact CA-OG 3.25Å; S4-S35 VanDerWaalsContact CB-OG 3.26Å; S4-S35 WeakPolarHBondContact CB-OG 3.15Å; S4-S35 PolarHBondContact OG-OG 2.94Å; F5-S35 PolarHBondContact N-O 2.83Å; S35-F106 CarbonylContact C-O 3.6Å; S35-F106 WeakPolarHBondContact CA-O 3.31Å; S35-P165 WeakPolarHBondContact CB-O 3.28Å; S35-P165 PolarHBondContact OG-O 3.46Å |
| 36 | G | 95.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.7 | 173.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | F5 F106 S108 | F5-G36 WeakPolarHBondContact O-CA 3.19Å; G36-F106 PolarHBondContact N-O 3.1Å; G36-S108 WeakPolarHBondContact O-CB 3.28Å; G36-S108 PolarHBondContact O-N 2.87Å |
| 37 | A | 95 | Very high | 86.7 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -120.5 | 151.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | F5 G7 G39 G40 A41 | F5-A37 PolarHBondContact O-N 2.89Å; G7-A37 WeakPolarHBondContact CA-O 3.26Å; G7-A37 PolarHBondContact N-O 2.92Å; A37-G39 PolarHBondContact O-N 3.23Å; A37-G40 VanDerWaalsContact O-CA 3.29Å; A37-G40 WeakPolarHBondContact O-CA 3.41Å; A37-G40 PolarHBondContact O-N 3.35Å; A37-A41 PolarHBondContact O-N 3.3Å; A37-A41 VanDerWaalsContact O-N 3.14Å |
| 38 | S | 94 | Very high | 87.6 | Confident | 5 Ų | 5 | 24.3 Ų | 24.3 | 4% | 0.035 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | 53.7 | -132.4 | 167.7 | -162.8 | 0 | 0 | 0 | 0 | 113.1 | G40 A41 M42 S136 D157 | S38-G40 PolarHBondContact O-N 3.38Å; S38-G40 VanDerWaalsContact O-N 3.16Å; S38-A41 WeakPolarHBondContact O-CB 3.38Å; S38-A41 PolarHBondContact O-N 2.85Å; S38-M42 PolarHBondContact O-N 3.01Å; S38-S136 WeakPolarHBondContact CA-O 3.3Å; S38-S136 WeakPolarHBondContact CB-O 3.13Å; S38-S136 PolarHBondContact N-O 3.32Å; S38-S136 PolarHBondContact N-OG 3.25Å; S38-D157 WeakPolarHBondContact CB-OD2 3.48Å; S38-D157 PolarHBondContact OG-OD2 2.92Å |
| 39 | G | 90.9 | Very high | 88.8 | Confident | 12 Ų | 12 | 21.6 Ų | 21.6 | 12% | 0.124 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -55.9 | -25.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | A37 M42 A43 | A37-G39 PolarHBondContact O-N 3.23Å; G39-M42 PolarHBondContact O-N 2.97Å; G39-A43 PolarHBondContact O-N 3.33Å |
| 40 | G | 93.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -68.9 | -41.3 | 172 | 0 | 0 | 0 | 0 | 0 | 113.1 | F5 S6 A37 S38 M42 A43 A44 | F5-G40 WeakPolarHBondContact CB-O 3.44Å; S6-G40 WeakPolarHBondContact O-CA 3.04Å; S6-G40 PolarHBondContact O-N 2.97Å; A37-G40 VanDerWaalsContact O-CA 3.29Å; A37-G40 WeakPolarHBondContact O-CA 3.41Å; A37-G40 PolarHBondContact O-N 3.35Å; S38-G40 PolarHBondContact O-N 3.38Å; S38-G40 VanDerWaalsContact O-N 3.16Å; G40-M42 PolarHBondContact O-N 2.98Å; G40-A43 PolarHBondContact O-N 2.74Å; G40-A44 WeakPolarHBondContact O-CB 3.36Å; G40-A44 PolarHBondContact O-N 3.14Å |
| 41 | A | 95.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.4 | -32.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A37 S38 C45 I107 L133 | A37-A41 PolarHBondContact O-N 3.3Å; A37-A41 VanDerWaalsContact O-N 3.14Å; S38-A41 WeakPolarHBondContact O-CB 3.38Å; S38-A41 PolarHBondContact O-N 2.85Å; A41-C45 WeakPolarHBondContact O-CB 3.33Å; A41-C45 PolarHBondContact O-N 3.19Å; A41-I107 HydrophobicContact CB-CG1 4.29Å; A41-I107 HydrophobicContact CB-CG2 4.23Å; A41-L133 HydrophobicContact CB-CD2 4.04Å |
| 42 | M | 93.1 | Very high | 91.8 | Very high | 46 Ų | 46 | 21 Ų | 21 | 23% | 0.227 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -71.4 | -42.1 | 174.9 | -62.2 | 178.2 | -169.7 | 0 | 0 | 112.6 | S38 G39 G40 A44 C45 A46 I85 L133 A137 | S38-M42 PolarHBondContact O-N 3.01Å; G39-M42 PolarHBondContact O-N 2.97Å; G40-M42 PolarHBondContact O-N 2.98Å; M42-A44 VanDerWaalsContact C-N 3.34Å; M42-C45 PolarHBondContact O-N 3Å; M42-A46 WeakPolarHBondContact O-CB 3.46Å; M42-A46 PolarHBondContact O-N 2.88Å; M42-I85 HydrophobicContact CE-CD1 4Å; M42-I85 HydrophobicContact CE-CG1 4.31Å; M42-I85 HydrophobicContact CE-CG2 3.64Å; M42-L133 HydrophobicContact CG-CD2 4.36Å; M42-A137 HydrophobicContact CE-CB 3.48Å; M42-A137 VanDerWaalsContact CE-CB 3.48Å |
| 43 | A | 92.8 | Very high | 92.2 | Very high | 6 Ų | 6 | 16.5 Ų | 16.5 | 5% | 0.05 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63.9 | -40.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | F5 H15 G39 G40 A46 L47 | F5-A43 HydrophobicContact CD1-CB 4.17Å; H15-A43 HydrophobicContact CB-CB 3.59Å; G39-A43 PolarHBondContact O-N 3.33Å; G40-A43 PolarHBondContact O-N 2.74Å; A43-A46 PolarHBondContact O-N 2.93Å; A43-L47 PolarHBondContact O-N 3.38Å |
| 44 | A | 93.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -58.7 | -47.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I34 G40 M42 L47 I48 L105 | I34-A44 HydrophobicContact CB-CB 4.4Å; I34-A44 HydrophobicContact CD1-CB 3.95Å; I34-A44 HydrophobicContact CG1-CB 3.68Å; I34-A44 HydrophobicContact CG2-CB 3.86Å; G40-A44 WeakPolarHBondContact O-CB 3.36Å; G40-A44 PolarHBondContact O-N 3.14Å; M42-A44 VanDerWaalsContact C-N 3.34Å; A44-L47 PolarHBondContact O-N 3.32Å; A44-I48 PolarHBondContact O-N 3.05Å; A44-I48 VanDerWaalsContact O-N 3.14Å; A44-L105 HydrophobicContact CB-CD1 3.67Å |
| 45 | C | 93.8 | Very high | 91.5 | Very high | 2 Ų | 2 | 16.1 Ų | 16.1 | 1% | 0.014 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.6 | -43.4 | 174.5 | -170.6 | 0 | 0 | 0 | 0 | 112 | A41 M42 L47 I48 C49 L105 L133 | A41-C45 WeakPolarHBondContact O-CB 3.33Å; A41-C45 PolarHBondContact O-N 3.19Å; M42-C45 PolarHBondContact O-N 3Å; C45-L47 VanDerWaalsContact C-N 3.29Å; C45-L47 PolarHBondContact O-N 3.37Å; C45-I48 PolarHBondContact O-N 3.18Å; C45-C49 WeakPolarHBondContact O-CB 3.26Å; C45-C49 PolarHBondContact O-N 3.49Å; C45-L105 HydrophobicContact CB-CD2 3.71Å; C45-L133 HydrophobicContact CB-CD1 4.21Å; C45-L133 HydrophobicContact CB-CD2 4.18Å |
| 46 | A | 92.1 | Very high | 91.1 | Very high | 3 Ų | 3 | 17.4 Ų | 17.4 | 3% | 0.025 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.7 | -34.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | M42 A43 N50 L51 V56 | M42-A46 WeakPolarHBondContact O-CB 3.46Å; M42-A46 PolarHBondContact O-N 2.88Å; A43-A46 PolarHBondContact O-N 2.93Å; A46-N50 PolarHBondContact O-N 3.44Å; A46-L51 HydrophobicContact CB-CB 4.36Å; A46-L51 HydrophobicContact CB-CD1 4.01Å; A46-L51 HydrophobicContact CB-CG 4.39Å; A46-L51 PolarHBondContact O-N 2.74Å; A46-V56 HydrophobicContact CB-CG2 4.1Å |
| 47 | L | 91 | Very high | 90.7 | Very high | 28 Ų | 28 | 17.4 Ų | 17.4 | 15% | 0.147 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -69.4 | -52.4 | 172.9 | -78.1 | 168.1 | 0 | 0 | 0 | 111.8 | F5 A19 I34 A43 A44 C45 C49 N50 | F5-L47 HydrophobicContact CE2-CD1 3.94Å; F5-L47 HydrophobicContact CZ-CD1 3.67Å; A19-L47 HydrophobicContact CB-CD1 4.01Å; A19-L47 HydrophobicContact CB-CD2 3.81Å; A19-L47 HydrophobicContact CB-CG 3.89Å; I34-L47 HydrophobicContact CD1-CB 4.13Å; I34-L47 HydrophobicContact CD1-CD1 3.78Å; A43-L47 PolarHBondContact O-N 3.38Å; A44-L47 PolarHBondContact O-N 3.32Å; C45-L47 VanDerWaalsContact C-N 3.29Å; C45-L47 PolarHBondContact O-N 3.37Å; L47-C49 PolarHBondContact O-N 3.42Å; L47-N50 PolarHBondContact O-N 2.99Å |
| 48 | I | 91.5 | Very high | 90.4 | Very high | 11 Ų | 11 | 19.8 Ų | 19.8 | 6% | 0.056 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64 | -37.3 | -178.1 | -71.9 | -67.5 | 0 | 0 | 0 | 113.1 | V31 I34 A44 C45 N50 M100 R104 | V31-I48 HydrophobicContact CB-CD1 4.49Å; V31-I48 HydrophobicContact CG1-CD1 3.93Å; I34-I48 HydrophobicContact CB-CG1 4.28Å; I34-I48 HydrophobicContact CG2-CD1 3.94Å; I34-I48 HydrophobicContact CG2-CG1 3.3Å; A44-I48 PolarHBondContact O-N 3.05Å; A44-I48 VanDerWaalsContact O-N 3.14Å; C45-I48 PolarHBondContact O-N 3.18Å; I48-N50 PolarHBondContact O-N 3.44Å; I48-M100 WeakPolarHBondContact CG2-O 3.47Å; I48-R104 HydrophobicContact CD1-CB 4.13Å |
| 49 | C | 90.1 | Very high | 90 | Very high | 7 Ų | 7 | 20.4 Ų | 20.4 | 5% | 0.047 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | 3.7 | 175.1 | -64.2 | 0 | 0 | 0 | 0 | 113.4 | C45 L47 L51 | C45-C49 WeakPolarHBondContact O-CB 3.26Å; C45-C49 PolarHBondContact O-N 3.49Å; L47-C49 PolarHBondContact O-N 3.42Å; C49-L51 VanDerWaalsContact C-N 3.26Å; C49-L51 HydrophobicContact CB-CD2 3.74Å; C49-L51 HydrophobicContact CB-CG 3.93Å; C49-L51 PolarHBondContact O-N 3.38Å |
| 50 | N | 87.7 | Confident | 89.9 | Confident | 65 Ų | 65 | 21.7 Ų | 21.7 | 35% | 0.348 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 33.9 | 178.2 | -167.4 | 17.6 | 0 | 0 | 0 | 114.3 | K23 A46 L47 I48 | K23-N50 WeakPolarHBondContact CE-OD1 3.26Å; K23-N50 PolarHBondContact NZ-O 3.3Å; K23-N50 PolarHBondContact NZ-OD1 3.4Å; A46-N50 PolarHBondContact O-N 3.44Å; L47-N50 PolarHBondContact O-N 2.99Å; I48-N50 PolarHBondContact O-N 3.44Å |
| 51 | L | 88.9 | Confident | 89.6 | Confident | 26 Ų | 26 | 21.8 Ų | 21.8 | 14% | 0.136 | 12% | 0.122 | C | C | . | . | trans | -64.2 | 161.9 | -170.9 | -56.4 | -174.9 | 0 | 0 | 0 | 113.4 | K23 A46 C49 L53 V56 L93 | K23-L51 PolarHBondContact NZ-O 3.24Å; A46-L51 HydrophobicContact CB-CB 4.36Å; A46-L51 HydrophobicContact CB-CD1 4.01Å; A46-L51 HydrophobicContact CB-CG 4.39Å; A46-L51 PolarHBondContact O-N 2.74Å; C49-L51 VanDerWaalsContact C-N 3.26Å; C49-L51 HydrophobicContact CB-CD2 3.74Å; C49-L51 HydrophobicContact CB-CG 3.93Å; C49-L51 PolarHBondContact O-N 3.38Å; L51-L53 PolarHBondContact O-N 3.32Å; L51-L53 VanDerWaalsContact O-N 3.16Å; L51-V56 HydrophobicContact CB-CG2 4.22Å; L51-V56 HydrophobicContact CD1-CG2 4.31Å; L51-L93 HydrophobicContact CD1-CD2 4.1Å | ||
| 52 | C | 87.6 | Confident | 89.2 | Confident | 29 Ų | 29 | 25.3 Ų | 25.3 | 20% | 0.196 | 14% | 0.135 | C | C | . | . | trans | -73.4 | 102.6 | 172.1 | -170.8 | 0 | 0 | 0 | 0 | 109.7 | G54 Q55 V56 C716 | C52-G54 PolarHBondContact O-N 2.77Å; C52-G54 VanDerWaalsContact O-N 3.11Å; C52-Q55 HydrophobicContact CB-CB 4.42Å; C52-Q55 WeakPolarHBondContact O-CB 3.38Å; C52-Q55 PolarHBondContact O-N 3.1Å; C52-V56 PolarHBondContact O-N 2.9Å; C52-C716 HydrophobicContact CB-CB 4.15Å; C52-C716 WeakPolarHBondContact CB-SG 3.19Å; C52-C716 WeakPolarHBondContact SG-CB 3.33Å; C52-C716 CovalentContact SG-SG 2.04Å; C52-C716 PolarHBondContact SG-SG 3.06Å | ||
| 53 | L | 87.8 | Confident | 88.9 | Confident | 17 Ų | 17 | 23.8 Ų | 23.8 | 9% | 0.089 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.7 | -24.2 | -173 | -63.7 | 178 | 0 | 0 | 0 | 114.2 | A19 A20 K23 L51 C57 V337 | A19-L53 HydrophobicContact CB-CD1 4.16Å; A19-L53 HydrophobicContact CB-CD2 4.07Å; A20-L53 HydrophobicContact CB-CD1 4.08Å; K23-L53 HydrophobicContact CB-CD1 4.36Å; K23-L53 HydrophobicContact CD-CD1 3.91Å; K23-L53 HydrophobicContact CD-CG 4.33Å; L51-L53 PolarHBondContact O-N 3.32Å; L51-L53 VanDerWaalsContact O-N 3.16Å; L53-C57 VanDerWaalsContact O-CB 3.25Å; L53-C57 WeakPolarHBondContact O-CB 3.29Å; L53-C57 PolarHBondContact O-N 3.07Å; L53-V337 HydrophobicContact CB-CG2 4.12Å |
| 54 | G | 86 | Confident | 88.6 | Confident | 4 Ų | 4 | 23.5 Ų | 23.5 | 4% | 0.041 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67.2 | -34.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | C52 C57 S58 S340 | C52-G54 PolarHBondContact O-N 2.77Å; C52-G54 VanDerWaalsContact O-N 3.11Å; G54-C57 WeakPolarHBondContact O-CB 3.49Å; G54-C57 PolarHBondContact O-N 2.82Å; G54-S58 WeakPolarHBondContact O-CB 3.45Å; G54-S58 PolarHBondContact O-N 3.26Å; G54-S340 PolarHBondContact O-OG 2.83Å |
| 55 | Q | 85.2 | Confident | 88.1 | Confident | 77 Ų | 77 | 24 Ų | 24 | 36% | 0.36 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -69.1 | -47.5 | 174.6 | -168.7 | 60 | 47.1 | 0 | 0 | 110.4 | C52 C57 S58 D59 F92 | C52-Q55 HydrophobicContact CB-CB 4.42Å; C52-Q55 WeakPolarHBondContact O-CB 3.38Å; C52-Q55 PolarHBondContact O-N 3.1Å; Q55-C57 PolarHBondContact O-N 3.22Å; Q55-S58 WeakPolarHBondContact O-CA 3.36Å; Q55-S58 WeakPolarHBondContact O-CB 3.22Å; Q55-S58 PolarHBondContact O-N 3.48Å; Q55-D59 PolarHBondContact NE2-OD2 3.28Å; Q55-D59 PolarHBondContact O-N 3.49Å; Q55-F92 HydrophobicContact CG-CD1 3.48Å; Q55-F92 VanDerWaalsContact CG-CD1 3.48Å; Q55-F92 HydrophobicContact CG-CE1 3.41Å; Q55-F92 VanDerWaalsContact CG-CE1 3.41Å; Q55-F92 HydrophobicContact CG-CG 4.09Å; Q55-F92 HydrophobicContact CG-CZ 3.97Å |
| 56 | V | 87.2 | Confident | 87.7 | Confident | 28 Ų | 28 | 26.2 Ų | 26.2 | 17% | 0.17 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -55.4 | -42.1 | 174.6 | -177.2 | 0 | 0 | 0 | 0 | 111.2 | V16 A46 L51 C52 I60 | V16-V56 HydrophobicContact CG2-CG1 4.1Å; A46-V56 HydrophobicContact CB-CG2 4.1Å; L51-V56 HydrophobicContact CB-CG2 4.22Å; L51-V56 HydrophobicContact CD1-CG2 4.31Å; C52-V56 PolarHBondContact O-N 2.9Å; V56-I60 HydrophobicContact CG1-CD1 4.1Å; V56-I60 WeakPolarHBondContact O-CG1 3.2Å; V56-I60 PolarHBondContact O-N 3.03Å; V56-I60 VanDerWaalsContact O-N 3.08Å |
| 57 | C | 88.7 | Confident | 87.2 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.8 | -50.5 | 172.4 | -170.8 | 0 | 0 | 0 | 0 | 112.2 | V16 L53 G54 Q55 D59 I60 L61 V337 | V16-C57 HydrophobicContact CG1-CB 4.13Å; L53-C57 VanDerWaalsContact O-CB 3.25Å; L53-C57 WeakPolarHBondContact O-CB 3.29Å; L53-C57 PolarHBondContact O-N 3.07Å; G54-C57 WeakPolarHBondContact O-CB 3.49Å; G54-C57 PolarHBondContact O-N 2.82Å; Q55-C57 PolarHBondContact O-N 3.22Å; C57-D59 VanDerWaalsContact C-N 3.26Å; C57-D59 PolarHBondContact O-N 3.47Å; C57-I60 PolarHBondContact O-N 3.07Å; C57-L61 WeakPolarHBondContact O-CB 3.4Å; C57-L61 VanDerWaalsContact O-CD1 3.28Å; C57-L61 WeakPolarHBondContact O-CD1 3.48Å; C57-L61 WeakPolarHBondContact O-CG 3.32Å; C57-L61 PolarHBondContact O-N 3.43Å; C57-V337 HydrophobicContact CB-CG1 4.28Å |
| 58 | S | 87.6 | Confident | 86.8 | Confident | 49 Ų | 49 | 28.3 Ų | 28.3 | 34% | 0.343 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -56.7 | -39.8 | 179.2 | -165.3 | 0 | 0 | 0 | 0 | 112 | G54 Q55 L61 R62 | G54-S58 WeakPolarHBondContact O-CB 3.45Å; G54-S58 PolarHBondContact O-N 3.26Å; Q55-S58 WeakPolarHBondContact O-CA 3.36Å; Q55-S58 WeakPolarHBondContact O-CB 3.22Å; Q55-S58 PolarHBondContact O-N 3.48Å; S58-L61 CarbonylContact O-C 3.25Å; S58-L61 PolarHBondContact O-N 2.93Å; S58-R62 WeakPolarHBondContact O-CB 3.23Å; S58-R62 PolarHBondContact O-N 3.04Å |
| 59 | D | 86.7 | Confident | 86.1 | Confident | 18 Ų | 18 | 31.3 Ų | 31.3 | 10% | 0.096 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -75.4 | -41.6 | 179.7 | -82.7 | -83.4 | 0 | 0 | 0 | 113.7 | Q55 C57 L61 R62 V63 F92 | Q55-D59 PolarHBondContact NE2-OD2 3.28Å; Q55-D59 PolarHBondContact O-N 3.49Å; C57-D59 VanDerWaalsContact C-N 3.26Å; C57-D59 PolarHBondContact O-N 3.47Å; D59-L61 PolarHBondContact O-N 2.96Å; D59-R62 WeakPolarHBondContact O-CB 3.25Å; D59-R62 PolarHBondContact O-N 3.33Å; D59-R62 VanDerWaalsContact O-N 3.07Å; D59-R62 IonicContact OD1-CZ 3.46Å; D59-R62 IonicContact OD1-NE 2.97Å; D59-R62 PolarHBondContact OD1-NE 3.26Å; D59-R62 IonicContact OD1-NH2 2.71Å; D59-R62 PolarHBondContact OD1-NH2 3.17Å; D59-V63 VanDerWaalsContact O-CG2 3.28Å; D59-V63 WeakPolarHBondContact O-CG2 3.45Å; D59-V63 PolarHBondContact O-N 3.4Å; D59-F92 HydrophobicContact CB-CE2 4.25Å; D59-F92 WeakPolarHBondContact OD1-CE2 3.43Å; D59-F92 WeakPolarHBondContact OD2-CE2 3.09Å; D59-F92 WeakPolarHBondContact OD2-CZ 3.18Å |
| 60 | I | 87.2 | Confident | 85.2 | Confident | 40 Ų | 40 | 35.9 Ų | 35.9 | 21% | 0.205 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.6 | -40.8 | 170.9 | -70.4 | 165.4 | 0 | 0 | 0 | 110.1 | I13 V16 V56 C57 S64 M225 | I13-I60 HydrophobicContact CB-CG2 4.2Å; I13-I60 HydrophobicContact CD1-CG2 4.16Å; V16-I60 HydrophobicContact CG2-CD1 3.61Å; V56-I60 HydrophobicContact CG1-CD1 4.1Å; V56-I60 WeakPolarHBondContact O-CG1 3.2Å; V56-I60 PolarHBondContact O-N 3.03Å; V56-I60 VanDerWaalsContact O-N 3.08Å; C57-I60 PolarHBondContact O-N 3.07Å; I60-S64 WeakPolarHBondContact O-CB 3.27Å; I60-S64 PolarHBondContact O-N 3.38Å; I60-S64 PolarHBondContact O-OG 3.16Å; I60-M225 HydrophobicContact CG2-CE 3.97Å |
| 61 | L | 87.5 | Confident | 83.9 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.6 | -38.1 | 175.3 | -64.7 | 161.5 | 0 | 0 | 0 | 112.3 | I13 C57 S58 D59 S64 I65 P222 M225 S340 L341 A344 | I13-L61 HydrophobicContact CD1-CG 4.49Å; C57-L61 WeakPolarHBondContact O-CB 3.4Å; C57-L61 VanDerWaalsContact O-CD1 3.28Å; C57-L61 WeakPolarHBondContact O-CD1 3.48Å; C57-L61 WeakPolarHBondContact O-CG 3.32Å; C57-L61 PolarHBondContact O-N 3.43Å; S58-L61 CarbonylContact O-C 3.25Å; S58-L61 PolarHBondContact O-N 2.93Å; D59-L61 PolarHBondContact O-N 2.96Å; L61-S64 WeakPolarHBondContact O-CB 3.35Å; L61-S64 PolarHBondContact O-N 3.44Å; L61-I65 WeakPolarHBondContact O-CB 3.47Å; L61-I65 VanDerWaalsContact O-CG1 3.29Å; L61-I65 WeakPolarHBondContact O-CG1 3.47Å; L61-I65 PolarHBondContact O-N 3.38Å; L61-P222 HydrophobicContact CD2-CB 4.26Å; L61-M225 HydrophobicContact CD2-CB 4.15Å; L61-M225 HydrophobicContact CD2-CE 4.38Å; L61-M225 HydrophobicContact CD2-SD 3.96Å; L61-S340 WeakPolarHBondContact CD1-O 3.26Å; L61-L341 HydrophobicContact CD1-CD2 3.81Å; L61-L341 HydrophobicContact CD1-CG 4.26Å; L61-L341 HydrophobicContact CD2-CD2 4.08Å; L61-L341 HydrophobicContact CG-CD2 4.49Å; L61-A344 HydrophobicContact CB-CB 3.77Å; L61-A344 HydrophobicContact CD1-CB 3.71Å; L61-A344 HydrophobicContact CD2-CB 4.17Å; L61-A344 HydrophobicContact CG-CB 4.09Å |
| 62 | R | 87.2 | Confident | 82.6 | Confident | 73 Ų | 73 | 39.6 Ų | 39.6 | 28% | 0.275 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59.1 | -49.9 | 173.6 | 179.5 | 176.3 | 68.5 | 102.4 | -4.8 | 110.9 | S58 D59 S64 I65 L66 E87 | S58-R62 WeakPolarHBondContact O-CB 3.23Å; S58-R62 PolarHBondContact O-N 3.04Å; D59-R62 WeakPolarHBondContact O-CB 3.25Å; D59-R62 PolarHBondContact O-N 3.33Å; D59-R62 VanDerWaalsContact O-N 3.07Å; D59-R62 IonicContact OD1-CZ 3.46Å; D59-R62 IonicContact OD1-NE 2.97Å; D59-R62 PolarHBondContact OD1-NE 3.26Å; D59-R62 IonicContact OD1-NH2 2.71Å; D59-R62 PolarHBondContact OD1-NH2 3.17Å; R62-S64 VanDerWaalsContact C-N 3.31Å; R62-S64 PolarHBondContact O-N 3.11Å; R62-I65 PolarHBondContact O-N 3.28Å; R62-L66 HydrophobicContact CG-CD1 4Å; R62-L66 WeakPolarHBondContact O-CB 3.44Å; R62-L66 VanDerWaalsContact O-CG 3.23Å; R62-L66 WeakPolarHBondContact O-CG 3.42Å; R62-L66 PolarHBondContact O-N 2.84Å; R62-E87 IonicContact CZ-OE2 3.27Å; R62-E87 IonicContact NH1-OE2 2.93Å; R62-E87 PolarHBondContact NH1-OE2 3.07Å; R62-E87 IonicContact NH2-OE2 2.67Å; R62-E87 PolarHBondContact NH2-OE2 3.46Å |
| 63 | V | 86.2 | Confident | 81.7 | Confident | 14 Ų | 14 | 39 Ų | 39 | 9% | 0.085 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.5 | -41.9 | 176.7 | -175.6 | 0 | 0 | 0 | 0 | 110.7 | F10 D59 L66 A67 F79 L81 I84 | F10-V63 HydrophobicContact CE1-CB 4.25Å; F10-V63 HydrophobicContact CE1-CG1 3.78Å; F10-V63 HydrophobicContact CZ-CG1 3.94Å; D59-V63 VanDerWaalsContact O-CG2 3.28Å; D59-V63 WeakPolarHBondContact O-CG2 3.45Å; D59-V63 PolarHBondContact O-N 3.4Å; V63-L66 PolarHBondContact O-N 3.12Å; V63-A67 PolarHBondContact O-N 3.45Å; V63-F79 HydrophobicContact CG1-CE2 4.41Å; V63-F79 HydrophobicContact CG1-CZ 3.85Å; V63-L81 HydrophobicContact CG1-CD1 3.44Å; V63-L81 VanDerWaalsContact CG1-CD1 3.44Å; V63-I84 HydrophobicContact CG2-CG2 3.64Å |
| 64 | S | 86.3 | Confident | 80.7 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.007 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.2 | -47.6 | 178.4 | -59.4 | 0 | 0 | 0 | 0 | 112.3 | F10 I60 L61 R62 A67 R68 M225 | F10-S64 VanDerWaalsContact CD1-OG 3.24Å; F10-S64 WeakPolarHBondContact CD1-OG 3.34Å; F10-S64 WeakPolarHBondContact CE1-OG 3.18Å; I60-S64 WeakPolarHBondContact O-CB 3.27Å; I60-S64 PolarHBondContact O-N 3.38Å; I60-S64 PolarHBondContact O-OG 3.16Å; L61-S64 WeakPolarHBondContact O-CB 3.35Å; L61-S64 PolarHBondContact O-N 3.44Å; R62-S64 VanDerWaalsContact C-N 3.31Å; R62-S64 PolarHBondContact O-N 3.11Å; S64-A67 PolarHBondContact O-N 2.82Å; S64-R68 WeakPolarHBondContact O-CB 3.49Å; S64-R68 WeakPolarHBondContact O-CG 3.46Å; S64-R68 PolarHBondContact O-N 2.94Å; S64-M225 WeakPolarHBondContact OG-CE 3.41Å |
| 65 | I | 84.6 | Confident | 79.8 | Confident | 9 Ų | 9 | 42.5 Ų | 42.5 | 5% | 0.046 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.9 | -44.1 | 176.1 | -68.8 | 166.4 | 0 | 0 | 0 | 110.5 | L61 R62 A67 R68 Q69 P222 A344 M351 | L61-I65 WeakPolarHBondContact O-CB 3.47Å; L61-I65 VanDerWaalsContact O-CG1 3.29Å; L61-I65 WeakPolarHBondContact O-CG1 3.47Å; L61-I65 PolarHBondContact O-N 3.38Å; R62-I65 PolarHBondContact O-N 3.28Å; I65-A67 VanDerWaalsContact C-N 3.29Å; I65-A67 PolarHBondContact O-N 3.01Å; I65-R68 PolarHBondContact O-N 2.72Å; I65-Q69 VanDerWaalsContact O-CG 3.29Å; I65-Q69 WeakPolarHBondContact O-CG 3.37Å; I65-Q69 PolarHBondContact O-N 2.82Å; I65-P222 HydrophobicContact CG1-CG 4.38Å; I65-A344 HydrophobicContact CD1-CB 4.09Å; I65-M351 HydrophobicContact CG2-CE 3.86Å; I65-M351 HydrophobicContact CG2-SD 4.47Å |
| 66 | L | 83.9 | Confident | 78.8 | Confident | 49 Ų | 49 | 40.1 Ų | 40.1 | 26% | 0.257 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.1 | -33.9 | 177.9 | -74.5 | 170.8 | 0 | 0 | 0 | 113.1 | R62 V63 F79 I84 | R62-L66 HydrophobicContact CG-CD1 4Å; R62-L66 WeakPolarHBondContact O-CB 3.44Å; R62-L66 VanDerWaalsContact O-CG 3.23Å; R62-L66 WeakPolarHBondContact O-CG 3.42Å; R62-L66 PolarHBondContact O-N 2.84Å; V63-L66 PolarHBondContact O-N 3.12Å; L66-F79 HydrophobicContact CB-CE2 4.12Å; L66-I84 HydrophobicContact CD1-CD1 4.34Å; L66-I84 HydrophobicContact CD1-CG2 4.34Å |
| 67 | A | 81.6 | Confident | 77.6 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.8 | -48.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F10 V63 S64 I65 Q69 R70 G73 P74 F79 P219 | F10-A67 HydrophobicContact CZ-CB 4.1Å; V63-A67 PolarHBondContact O-N 3.45Å; S64-A67 PolarHBondContact O-N 2.82Å; I65-A67 VanDerWaalsContact C-N 3.29Å; I65-A67 PolarHBondContact O-N 3.01Å; A67-Q69 PolarHBondContact O-N 2.86Å; A67-R70 PolarHBondContact O-N 3.44Å; A67-R70 VanDerWaalsContact O-N 3.15Å; A67-G73 CarbonylContact O-C 3.52Å; A67-G73 WeakPolarHBondContact O-CA 3.35Å; A67-P74 HydrophobicContact CB-CG 4.03Å; A67-F79 HydrophobicContact CB-CD2 4.39Å; A67-F79 HydrophobicContact CB-CE1 4.34Å; A67-F79 HydrophobicContact CB-CE2 3.79Å; A67-F79 HydrophobicContact CB-CZ 3.75Å; A67-P219 HydrophobicContact CB-CG 3.84Å |
| 68 | R | 82.6 | Confident | 76.6 | Confident | 75 Ų | 75 | 44.2 Ų | 44.2 | 28% | 0.283 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.1 | -23.8 | -178.6 | -68.6 | 168.8 | 64 | 66.1 | 7.5 | 113.8 | S64 I65 R70 P219 P220 E348 | S64-R68 WeakPolarHBondContact O-CB 3.49Å; S64-R68 WeakPolarHBondContact O-CG 3.46Å; S64-R68 PolarHBondContact O-N 2.94Å; I65-R68 PolarHBondContact O-N 2.72Å; R68-R70 PolarHBondContact O-N 3.18Å; R68-P219 WeakPolarHBondContact CD-O 3.29Å; R68-P219 HydrophobicContact CG-CB 4.43Å; R68-P219 HydrophobicContact CG-CG 4.1Å; R68-P219 PolarHBondContact NH1-O 3.37Å; R68-P220 WeakPolarHBondContact CD-O 3.4Å; R68-P220 PolarHBondContact NE-O 3.28Å; R68-P220 VanDerWaalsContact NH1-C 3.34Å; R68-E348 IonicContact CZ-OE1 3.29Å; R68-E348 IonicContact NE-OE1 2.89Å; R68-E348 PolarHBondContact NE-OE1 3.19Å; R68-E348 IonicContact NE-OE2 2.76Å; R68-E348 PolarHBondContact NE-OE2 3.34Å; R68-E348 VanDerWaalsContact NE-OE2 3.09Å; R68-E348 IonicContact NH2-OE1 2.64Å; R68-E348 PolarHBondContact NH2-OE1 3.3Å |
| 69 | Q | 77.6 | Confident | 75.9 | Confident | 74 Ų | 74 | 42.8 Ų | 42.8 | 35% | 0.346 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -13.4 | 173.3 | -80.1 | 171.8 | 7.1 | 0 | 0 | 114.8 | I65 A67 M351 | I65-Q69 VanDerWaalsContact O-CG 3.29Å; I65-Q69 WeakPolarHBondContact O-CG 3.37Å; I65-Q69 PolarHBondContact O-N 2.82Å; A67-Q69 PolarHBondContact O-N 2.86Å; Q69-M351 HydrophobicContact CG-CE 3.62Å; Q69-M351 HydrophobicContact CG-SD 3.81Å; Q69-M351 PolarHBondContact NE2-SD 3.36Å |
| 70 | R | 72.1 | Confident | 75.5 | Confident | 104 Ų | 104 | 45.4 Ų | 45.4 | 39% | 0.392 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -109.7 | 142.1 | -172.1 | -52.8 | -59.3 | 171.6 | 166.7 | -4.9 | 111.4 | A67 R68 L72 G73 H76 | A67-R70 PolarHBondContact O-N 3.44Å; A67-R70 VanDerWaalsContact O-N 3.15Å; R68-R70 PolarHBondContact O-N 3.18Å; R70-L72 PolarHBondContact O-N 2.92Å; R70-G73 WeakPolarHBondContact O-CA 3.44Å; R70-G73 PolarHBondContact O-N 2.93Å; R70-H76 HydrophobicContact CB-CB 3.62Å; R70-H76 HydrophobicContact CG-CB 4.05Å |
| 71 | A | 59.4 | Low | 75.3 | Confident | 97 Ų | 97 | 44.3 Ų | 44.3 | 80% | 0.802 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -26.3 | -176 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 72 | L | 61.3 | Low | 75.1 | Confident | 72 Ų | 72 | 45.5 Ų | 45.5 | 38% | 0.377 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 12.3 | 173.9 | -60 | 176.5 | 0 | 0 | 0 | 112.6 | R70 L75 H76 | R70-L72 PolarHBondContact O-N 2.92Å; L72-L75 HydrophobicContact CB-CB 4.34Å; L72-L75 WeakPolarHBondContact O-CB 3.41Å; L72-L75 PolarHBondContact O-N 3.3Å; L72-L75 VanDerWaalsContact O-N 3.09Å; L72-H76 HydrophobicContact CB-CB 4.25Å |
| 73 | G | 68.5 | Low | 75 | Confident | 15 Ų | 15 | 44.8 Ų | 44.8 | 16% | 0.155 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | 57.1 | -136.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A67 R70 L75 H76 | A67-G73 CarbonylContact O-C 3.52Å; A67-G73 WeakPolarHBondContact O-CA 3.35Å; R70-G73 WeakPolarHBondContact O-CA 3.44Å; R70-G73 PolarHBondContact O-N 2.93Å; G73-L75 PolarHBondContact O-N 2.98Å; G73-H76 WeakPolarHBondContact O-CB 3.22Å; G73-H76 PolarHBondContact O-N 3.35Å |
| 74 | P | 67.7 | Low | 75 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.019 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -55.8 | -27.3 | 173.3 | -23.3 | 32.6 | 0 | 0 | 0 | 114.7 | F10 A67 H76 F79 Y142 | F10-P74 HydrophobicContact CE2-CG 3.99Å; A67-P74 HydrophobicContact CB-CG 4.03Å; P74-H76 PolarHBondContact O-N 3.18Å; P74-F79 HydrophobicContact CB-CD1 4.22Å; P74-F79 HydrophobicContact CB-CE1 4.09Å; P74-F79 VanDerWaalsContact O-CD1 3.3Å; P74-F79 WeakPolarHBondContact O-CD1 3.37Å; P74-Y142 HydrophobicContact CB-CD2 4.31Å; P74-Y142 HydrophobicContact CB-CE1 4.34Å; P74-Y142 HydrophobicContact CB-CE2 3.6Å; P74-Y142 HydrophobicContact CG-CE2 4.01Å |
| 75 | L | 66.6 | Low | 75 | Confident | 92 Ų | 92 | 46.5 Ų | 46.5 | 48% | 0.482 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -77.7 | 3.7 | -175.4 | -56.1 | 175.7 | 0 | 0 | 0 | 113.6 | L72 G73 Y142 F218 | L72-L75 HydrophobicContact CB-CB 4.34Å; L72-L75 WeakPolarHBondContact O-CB 3.41Å; L72-L75 PolarHBondContact O-N 3.3Å; L72-L75 VanDerWaalsContact O-N 3.09Å; G73-L75 PolarHBondContact O-N 2.98Å; L75-Y142 HydrophobicContact CD2-CD2 3.8Å; L75-F218 HydrophobicContact CD1-CE1 4.32Å; L75-F218 HydrophobicContact CD1-CZ 4.26Å |
| 76 | H | 64.5 | Low | 75.3 | Confident | 28 Ų | 28 | 49.5 Ų | 49.5 | 13% | 0.13 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -73.8 | 130.2 | -177.7 | -173 | -103.1 | 0 | 0 | 0 | 112.1 | R70 L72 G73 P74 S78 F79 | R70-H76 HydrophobicContact CB-CB 3.62Å; R70-H76 HydrophobicContact CG-CB 4.05Å; L72-H76 HydrophobicContact CB-CB 4.25Å; G73-H76 WeakPolarHBondContact O-CB 3.22Å; G73-H76 PolarHBondContact O-N 3.35Å; P74-H76 PolarHBondContact O-N 3.18Å; H76-S78 PolarHBondContact CE1-OG 2.76Å; H76-S78 VanDerWaalsContact CE1-OG 3.25Å; H76-S78 PolarHBondContact ND1-N 2.95Å; H76-S78 PolarHBondContact ND1-OG 3.2Å; H76-S78 PolarHBondContact O-N 3.48Å; H76-F79 HydrophobicContact CB-CB 4.47Å; H76-F79 WeakPolarHBondContact O-CB 3.45Å; H76-F79 PolarHBondContact O-N 3.4Å |
| 77 | P | 62.7 | Low | 75.6 | Confident | 55 Ų | 55 | 52.2 Ų | 52.2 | 36% | 0.357 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 8.4 | -177.4 | -25.7 | 35.8 | 0 | 0 | 0 | 117.9 | T381 K384 | P77-T381 HydrophobicContact CG-CG2 4.09Å; P77-K384 PolarHBondContact O-NZ 2.7Å |
| 78 | S | 67 | Low | 75.8 | Confident | 58 Ų | 58 | 52.5 Ų | 52.5 | 41% | 0.406 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | -5.7 | 168.1 | 86.7 | 0 | 0 | 0 | 0 | 113.6 | H76 | H76-S78 PolarHBondContact CE1-OG 2.76Å; H76-S78 VanDerWaalsContact CE1-OG 3.25Å; H76-S78 PolarHBondContact ND1-N 2.95Å; H76-S78 PolarHBondContact ND1-OG 3.2Å; H76-S78 PolarHBondContact O-N 3.48Å |
| 79 | F | 73.2 | Confident | 76.2 | Confident | 19 Ų | 19 | 50.2 Ų | 50.2 | 8% | 0.083 | 28% | 0.278 | C | S | . | . | trans | -90.6 | 119.1 | 172.7 | -173.2 | -101.4 | 0 | 0 | 0 | 107.3 | F10 V63 L66 A67 P74 H76 L81 I84 | F10-F79 HydrophobicContact CZ-CZ 4.37Å; V63-F79 HydrophobicContact CG1-CE2 4.41Å; V63-F79 HydrophobicContact CG1-CZ 3.85Å; L66-F79 HydrophobicContact CB-CE2 4.12Å; A67-F79 HydrophobicContact CB-CD2 4.39Å; A67-F79 HydrophobicContact CB-CE1 4.34Å; A67-F79 HydrophobicContact CB-CE2 3.79Å; A67-F79 HydrophobicContact CB-CZ 3.75Å; P74-F79 HydrophobicContact CB-CD1 4.22Å; P74-F79 HydrophobicContact CB-CE1 4.09Å; P74-F79 VanDerWaalsContact O-CD1 3.3Å; P74-F79 WeakPolarHBondContact O-CD1 3.37Å; H76-F79 HydrophobicContact CB-CB 4.47Å; H76-F79 WeakPolarHBondContact O-CB 3.45Å; H76-F79 PolarHBondContact O-N 3.4Å; F79-L81 HydrophobicContact CD1-CB 4.37Å; F79-L81 HydrophobicContact CE1-CB 3.75Å; F79-L81 HydrophobicContact CE1-CD1 4.11Å; F79-L81 HydrophobicContact CE1-CG 4.34Å; F79-L81 HydrophobicContact CZ-CB 4.41Å; F79-L81 HydrophobicContact CZ-CD1 4.05Å; F79-I84 HydrophobicContact CD2-CD1 3.94Å; F79-I84 HydrophobicContact CE2-CD1 3.67Å; F79-I84 HydrophobicContact CZ-CD1 4.29Å | ||
| 80 | N | 77.3 | Confident | 76.9 | Confident | 73 Ų | 73 | 49.6 Ų | 49.6 | 39% | 0.39 | 28% | 0.279 | S | S | . | . | trans | -123 | 92.2 | 175.4 | 177.8 | -5.9 | 0 | 0 | 0 | 106.9 | T82 S83 I84 S143 | N80-T82 PolarHBondContact O-N 2.86Å; N80-T82 VanDerWaalsContact OD1-CB 3.25Å; N80-T82 WeakPolarHBondContact OD1-CB 3.41Å; N80-T82 PolarHBondContact OD1-N 3.44Å; N80-S83 VanDerWaalsContact CB-OG 3.28Å; N80-S83 WeakPolarHBondContact CB-OG 3.43Å; N80-S83 PolarHBondContact ND2-OG 3.16Å; N80-S83 PolarHBondContact O-N 3.06Å; N80-S83 PolarHBondContact O-OG 3.1Å; N80-S83 PolarHBondContact OD1-N 3.37Å; N80-S83 VanDerWaalsContact OD1-N 3.09Å; N80-I84 WeakPolarHBondContact O-CG1 3.13Å; N80-I84 PolarHBondContact O-N 2.99Å; N80-I84 VanDerWaalsContact O-N 3.15Å; N80-S143 PolarHBondContact OD1-O 2.74Å | ||
| 81 | L | 83 | Confident | 77.7 | Confident | 17 Ų | 17 | 49.4 Ų | 49.4 | 9% | 0.089 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -55.5 | -43 | -179 | -174.9 | 49.6 | 0 | 0 | 0 | 110.6 | V63 F79 S83 I84 I85 Y142 | V63-L81 HydrophobicContact CG1-CD1 3.44Å; V63-L81 VanDerWaalsContact CG1-CD1 3.44Å; F79-L81 HydrophobicContact CD1-CB 4.37Å; F79-L81 HydrophobicContact CE1-CB 3.75Å; F79-L81 HydrophobicContact CE1-CD1 4.11Å; F79-L81 HydrophobicContact CE1-CG 4.34Å; F79-L81 HydrophobicContact CZ-CB 4.41Å; F79-L81 HydrophobicContact CZ-CD1 4.05Å; L81-S83 PolarHBondContact O-N 2.84Å; L81-I84 PolarHBondContact O-N 2.86Å; L81-I85 HydrophobicContact CD1-CD1 3.71Å; L81-I85 HydrophobicContact CD1-CG1 4.09Å; L81-I85 HydrophobicContact CG-CD1 3.63Å; L81-I85 HydrophobicContact CG-CG1 4.46Å; L81-I85 WeakPolarHBondContact O-CB 3.5Å; L81-I85 WeakPolarHBondContact O-CD1 3.27Å; L81-I85 VanDerWaalsContact O-CG1 3.28Å; L81-I85 WeakPolarHBondContact O-CG1 3.49Å; L81-I85 PolarHBondContact O-N 3.44Å; L81-Y142 HydrophobicContact CD2-CD1 4.05Å; L81-Y142 HydrophobicContact CD2-CE1 3.61Å |
| 82 | T | 84.4 | Confident | 78.9 | Confident | 27 Ų | 27 | 48 Ų | 48 | 17% | 0.166 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -54.4 | -47.1 | 177.9 | -44.9 | 0 | 0 | 0 | 0 | 112.1 | N80 R86 T134 S143 | N80-T82 PolarHBondContact O-N 2.86Å; N80-T82 VanDerWaalsContact OD1-CB 3.25Å; N80-T82 WeakPolarHBondContact OD1-CB 3.41Å; N80-T82 PolarHBondContact OD1-N 3.44Å; T82-R86 WeakPolarHBondContact O-CB 3.46Å; T82-R86 PolarHBondContact O-N 2.81Å; T82-T134 HydrophobicContact CG2-CG2 3.35Å; T82-S143 PolarHBondContact OG1-O 3.02Å |
| 83 | S | 85 | Confident | 80.3 | Confident | 59 Ų | 59 | 44.8 Ų | 44.8 | 41% | 0.413 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -74.4 | -35.1 | 179.8 | 58.4 | 0 | 0 | 0 | 0 | 113.7 | N80 L81 I85 R86 E87 | N80-S83 VanDerWaalsContact CB-OG 3.28Å; N80-S83 WeakPolarHBondContact CB-OG 3.43Å; N80-S83 PolarHBondContact ND2-OG 3.16Å; N80-S83 PolarHBondContact O-N 3.06Å; N80-S83 PolarHBondContact O-OG 3.1Å; N80-S83 PolarHBondContact OD1-N 3.37Å; N80-S83 VanDerWaalsContact OD1-N 3.09Å; L81-S83 PolarHBondContact O-N 2.84Å; S83-I85 VanDerWaalsContact C-N 3.35Å; S83-R86 PolarHBondContact O-N 3.38Å; S83-E87 VanDerWaalsContact O-CB 3.3Å; S83-E87 WeakPolarHBondContact O-CB 3.25Å; S83-E87 PolarHBondContact O-N 2.97Å |
| 84 | I | 85.2 | Confident | 81.4 | Confident | 26 Ų | 26 | 46.3 Ų | 46.3 | 13% | 0.133 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.3 | -37.3 | 178.5 | -59.3 | 162.8 | 0 | 0 | 0 | 110.2 | V63 L66 F79 N80 L81 G88 | V63-I84 HydrophobicContact CG2-CG2 3.64Å; L66-I84 HydrophobicContact CD1-CD1 4.34Å; L66-I84 HydrophobicContact CD1-CG2 4.34Å; F79-I84 HydrophobicContact CD2-CD1 3.94Å; F79-I84 HydrophobicContact CE2-CD1 3.67Å; F79-I84 HydrophobicContact CZ-CD1 4.29Å; N80-I84 WeakPolarHBondContact O-CG1 3.13Å; N80-I84 PolarHBondContact O-N 2.99Å; N80-I84 VanDerWaalsContact O-N 3.15Å; L81-I84 PolarHBondContact O-N 2.86Å; I84-G88 PolarHBondContact O-N 3.03Å; I84-G88 VanDerWaalsContact O-N 3.15Å |
| 85 | I | 87.8 | Confident | 82.6 | Confident | 24 Ų | 24 | 51.9 Ų | 51.9 | 12% | 0.123 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.9 | -52 | 170.4 | -71.8 | 163 | 0 | 0 | 0 | 110.4 | M42 L81 S83 E87 G88 L89 A137 | M42-I85 HydrophobicContact CE-CD1 4Å; M42-I85 HydrophobicContact CE-CG1 4.31Å; M42-I85 HydrophobicContact CE-CG2 3.64Å; L81-I85 HydrophobicContact CD1-CD1 3.71Å; L81-I85 HydrophobicContact CD1-CG1 4.09Å; L81-I85 HydrophobicContact CG-CD1 3.63Å; L81-I85 HydrophobicContact CG-CG1 4.46Å; L81-I85 WeakPolarHBondContact O-CB 3.5Å; L81-I85 WeakPolarHBondContact O-CD1 3.27Å; L81-I85 VanDerWaalsContact O-CG1 3.28Å; L81-I85 WeakPolarHBondContact O-CG1 3.49Å; L81-I85 PolarHBondContact O-N 3.44Å; S83-I85 VanDerWaalsContact C-N 3.35Å; I85-E87 VanDerWaalsContact C-N 3.33Å; I85-E87 PolarHBondContact O-N 3.45Å; I85-G88 PolarHBondContact O-N 3.17Å; I85-L89 HydrophobicContact CG2-CD1 3.65Å; I85-L89 HydrophobicContact CG2-CG 4.14Å; I85-L89 WeakPolarHBondContact O-CG 3.37Å; I85-L89 PolarHBondContact O-N 2.86Å; I85-A137 HydrophobicContact CD1-CB 4.32Å |
| 86 | R | 90.6 | Very high | 83.8 | Confident | 73 Ų | 73 | 51.5 Ų | 51.5 | 28% | 0.275 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.6 | -41.1 | -177.3 | -150.7 | -174.2 | -166.8 | -81.3 | 3.5 | 111.9 | T82 S83 L89 V90 D127 I130 D131 | T82-R86 WeakPolarHBondContact O-CB 3.46Å; T82-R86 PolarHBondContact O-N 2.81Å; S83-R86 PolarHBondContact O-N 3.38Å; R86-L89 PolarHBondContact O-N 2.87Å; R86-V90 WeakPolarHBondContact O-CB 3.5Å; R86-V90 VanDerWaalsContact O-CG2 3.26Å; R86-V90 WeakPolarHBondContact O-CG2 3.39Å; R86-V90 PolarHBondContact O-N 3.34Å; R86-D127 IonicContact CZ-OD1 2.83Å; R86-D127 IonicContact NH1-OD1 2.76Å; R86-D127 PolarHBondContact NH1-OD1 3.28Å; R86-D127 IonicContact NH2-OD1 2.93Å; R86-D127 PolarHBondContact NH2-OD1 2.95Å; R86-I130 HydrophobicContact CG-CG2 3.41Å; R86-I130 VanDerWaalsContact CG-CG2 3.41Å; R86-D131 IonicContact CZ-OD1 2.83Å; R86-D131 IonicContact NE-OD1 3.22Å; R86-D131 PolarHBondContact NE-OD1 2.86Å; R86-D131 IonicContact NH2-OD1 3.36Å; R86-D131 PolarHBondContact NH2-OD1 3.01Å; R86-D131 IonicContact NH2-OD2 2.82Å; R86-D131 PolarHBondContact NH2-OD2 3.46Å |
| 87 | E | 88.9 | Confident | 85.2 | Confident | 105 Ų | 105 | 50.1 Ų | 50.1 | 49% | 0.491 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -53.4 | -56.8 | 171.6 | 177.5 | -167.6 | -123.8 | 0 | 0 | 111 | R62 S83 I85 L89 V90 T91 | R62-E87 IonicContact CZ-OE2 3.27Å; R62-E87 IonicContact NH1-OE2 2.93Å; R62-E87 PolarHBondContact NH1-OE2 3.07Å; R62-E87 IonicContact NH2-OE2 2.67Å; R62-E87 PolarHBondContact NH2-OE2 3.46Å; S83-E87 VanDerWaalsContact O-CB 3.3Å; S83-E87 WeakPolarHBondContact O-CB 3.25Å; S83-E87 PolarHBondContact O-N 2.97Å; I85-E87 VanDerWaalsContact C-N 3.33Å; I85-E87 PolarHBondContact O-N 3.45Å; E87-L89 PolarHBondContact O-N 2.62Å; E87-V90 PolarHBondContact O-N 3.43Å; E87-T91 PolarHBondContact O-N 3.05Å; E87-T91 VanDerWaalsContact O-N 3.14Å; E87-T91 PolarHBondContact O-OG1 3.37Å |
| 88 | G | 86.8 | Confident | 86.7 | Confident | 7 Ų | 7 | 48.8 Ų | 48.8 | 7% | 0.072 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.7 | -46.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | I84 I85 V90 T91 F92 | I84-G88 PolarHBondContact O-N 3.03Å; I84-G88 VanDerWaalsContact O-N 3.15Å; I85-G88 PolarHBondContact O-N 3.17Å; G88-V90 VanDerWaalsContact C-N 3.32Å; G88-V90 PolarHBondContact O-N 2.89Å; G88-T91 PolarHBondContact O-N 3.23Å; G88-T91 VanDerWaalsContact O-N 3.12Å; G88-F92 WeakPolarHBondContact O-CD2 3.47Å; G88-F92 WeakPolarHBondContact O-CE2 3.45Å; G88-F92 WeakPolarHBondContact O-CG 3.46Å; G88-F92 PolarHBondContact O-N 3.05Å |
| 89 | L | 91 | Very high | 88 | Confident | 26 Ų | 26 | 53.6 Ų | 53.6 | 14% | 0.136 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.9 | -36.3 | 179.8 | -66.7 | 176.4 | 0 | 0 | 0 | 112.5 | I85 R86 E87 L93 I130 L133 | I85-L89 HydrophobicContact CG2-CD1 3.65Å; I85-L89 HydrophobicContact CG2-CG 4.14Å; I85-L89 WeakPolarHBondContact O-CG 3.37Å; I85-L89 PolarHBondContact O-N 2.86Å; R86-L89 PolarHBondContact O-N 2.87Å; E87-L89 PolarHBondContact O-N 2.62Å; L89-L93 HydrophobicContact CB-CD1 4.16Å; L89-L93 HydrophobicContact CD2-CD1 4.3Å; L89-L93 HydrophobicContact CD2-CG 4.5Å; L89-L93 VanDerWaalsContact O-CB 3.26Å; L89-L93 WeakPolarHBondContact O-CB 3.39Å; L89-L93 VanDerWaalsContact O-CG 3.3Å; L89-L93 WeakPolarHBondContact O-CG 3.47Å; L89-L93 PolarHBondContact O-N 3.42Å; L89-L93 VanDerWaalsContact O-N 3.12Å; L89-I130 HydrophobicContact CB-CD1 4.35Å; L89-I130 HydrophobicContact CB-CG1 4Å; L89-I130 HydrophobicContact CB-CG2 4.29Å; L89-I130 HydrophobicContact CD1-CG2 4.46Å; L89-L133 HydrophobicContact CD1-CB 3.74Å; L89-L133 HydrophobicContact CD1-CD1 3.98Å; L89-L133 HydrophobicContact CD2-CD1 4.11Å |
| 90 | V | 91.9 | Very high | 88.9 | Confident | 62 Ų | 62 | 55 Ų | 55 | 38% | 0.376 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.1 | -41.4 | 173.2 | 168.7 | 0 | 0 | 0 | 0 | 111.4 | R86 E87 G88 K126 I130 | R86-V90 WeakPolarHBondContact O-CB 3.5Å; R86-V90 VanDerWaalsContact O-CG2 3.26Å; R86-V90 WeakPolarHBondContact O-CG2 3.39Å; R86-V90 PolarHBondContact O-N 3.34Å; E87-V90 PolarHBondContact O-N 3.43Å; G88-V90 VanDerWaalsContact C-N 3.32Å; G88-V90 PolarHBondContact O-N 2.89Å; V90-K126 WeakPolarHBondContact O-CE 3.27Å; V90-K126 PolarHBondContact O-NZ 2.89Å; V90-I130 HydrophobicContact CB-CD1 4.44Å; V90-I130 HydrophobicContact CG2-CD1 3.74Å |
| 91 | T | 88.1 | Confident | 89.7 | Confident | 99 Ų | 99 | 51.5 Ų | 51.5 | 61% | 0.607 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -72.3 | -39.7 | -179.5 | -56.1 | 0 | 0 | 0 | 0 | 113.6 | E87 G88 | E87-T91 PolarHBondContact O-N 3.05Å; E87-T91 VanDerWaalsContact O-N 3.14Å; E87-T91 PolarHBondContact O-OG1 3.37Å; G88-T91 PolarHBondContact O-N 3.23Å; G88-T91 VanDerWaalsContact O-N 3.12Å |
| 92 | F | 84.9 | Confident | 90.2 | Very high | 67 Ų | 67 | 52.1 Ų | 52.1 | 29% | 0.294 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -101.2 | -19.5 | -169.5 | -52.6 | -54.4 | 0 | 0 | 0 | 115.6 | Q55 D59 G88 | Q55-F92 HydrophobicContact CG-CD1 3.48Å; Q55-F92 VanDerWaalsContact CG-CD1 3.48Å; Q55-F92 HydrophobicContact CG-CE1 3.41Å; Q55-F92 VanDerWaalsContact CG-CE1 3.41Å; Q55-F92 HydrophobicContact CG-CG 4.09Å; Q55-F92 HydrophobicContact CG-CZ 3.97Å; D59-F92 HydrophobicContact CB-CE2 4.25Å; D59-F92 WeakPolarHBondContact OD1-CE2 3.43Å; D59-F92 WeakPolarHBondContact OD2-CE2 3.09Å; D59-F92 WeakPolarHBondContact OD2-CZ 3.18Å; G88-F92 WeakPolarHBondContact O-CD2 3.47Å; G88-F92 WeakPolarHBondContact O-CE2 3.45Å; G88-F92 WeakPolarHBondContact O-CG 3.46Å; G88-F92 PolarHBondContact O-N 3.05Å |
| 93 | L | 91.4 | Very high | 90.6 | Very high | 5 Ų | 5 | 52.4 Ų | 52.4 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -78.6 | 128.7 | 174.4 | -66.4 | 176.5 | 0 | 0 | 0 | 110.3 | L51 L89 A97 K126 L129 I130 L133 | L51-L93 HydrophobicContact CD1-CD2 4.1Å; L89-L93 HydrophobicContact CB-CD1 4.16Å; L89-L93 HydrophobicContact CD2-CD1 4.3Å; L89-L93 HydrophobicContact CD2-CG 4.5Å; L89-L93 VanDerWaalsContact O-CB 3.26Å; L89-L93 WeakPolarHBondContact O-CB 3.39Å; L89-L93 VanDerWaalsContact O-CG 3.3Å; L89-L93 WeakPolarHBondContact O-CG 3.47Å; L89-L93 PolarHBondContact O-N 3.42Å; L89-L93 VanDerWaalsContact O-N 3.12Å; L93-A97 HydrophobicContact CB-CB 3.98Å; L93-A97 HydrophobicContact CD2-CB 4.31Å; L93-K126 WeakPolarHBondContact O-CE 3.39Å; L93-K126 PolarHBondContact O-NZ 2.92Å; L93-L129 HydrophobicContact CD1-CD2 4.28Å; L93-I130 HydrophobicContact CD1-CD1 4.22Å; L93-I130 HydrophobicContact CD1-CG1 3.67Å; L93-L133 HydrophobicContact CD1-CD1 4.27Å |
| 94 | P | 92.3 | Very high | 91 | Very high | 47 Ų | 47 | 54 Ų | 54 | 31% | 0.305 | 28% | 0.28 | S | S | . | . | trans | -65.4 | 155.3 | 171.9 | 30.4 | -36.5 | 0 | 0 | 0 | 110.3 | N96 A97 M100 | P94-N96 WeakPolarHBondContact CB-OD1 3.28Å; P94-N96 PolarHBondContact O-N 3.28Å; P94-N96 VanDerWaalsContact O-N 3.14Å; P94-A97 HydrophobicContact CG-CB 4.15Å; P94-A97 WeakPolarHBondContact O-CB 3.13Å; P94-A97 PolarHBondContact O-N 3.49Å; P94-M100 HydrophobicContact CG-SD 4.32Å | ||
| 95 | D | 91.6 | Very high | 91.5 | Very high | 120 Ų | 120 | 52.7 Ų | 52.7 | 64% | 0.642 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -21.7 | -170.7 | -56.4 | -45.4 | 0 | 0 | 0 | 113.6 | H98 K126 | D95-H98 PolarHBondContact O-CE1 3.03Å; D95-H98 PolarHBondContact O-ND1 3Å; D95-K126 WeakPolarHBondContact OD1-CD 3.37Å; D95-K126 IonicContact OD1-NZ 2.68Å; D95-K126 PolarHBondContact OD1-NZ 2.84Å |
| 96 | N | 92.6 | Very high | 92 | Very high | 84 Ų | 84 | 53 Ų | 53 | 45% | 0.449 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | 5.7 | 170.1 | 70.6 | -25.1 | 0 | 0 | 0 | 114.3 | P94 H98 K99 M100 | P94-N96 WeakPolarHBondContact CB-OD1 3.28Å; P94-N96 PolarHBondContact O-N 3.28Å; P94-N96 VanDerWaalsContact O-N 3.14Å; N96-H98 PolarHBondContact O-N 3.26Å; N96-H98 VanDerWaalsContact O-N 3.16Å; N96-K99 WeakPolarHBondContact O-CA 3.44Å; N96-K99 WeakPolarHBondContact O-CB 3.34Å; N96-K99 PolarHBondContact O-N 2.81Å; N96-M100 PolarHBondContact O-N 2.88Å; N96-M100 VanDerWaalsContact O-N 3.08Å |
| 97 | A | 93.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -52.4 | -40 | -177 | 0 | 0 | 0 | 0 | 0 | 112.9 | L93 P94 K99 M100 A101 L129 | L93-A97 HydrophobicContact CB-CB 3.98Å; L93-A97 HydrophobicContact CD2-CB 4.31Å; P94-A97 HydrophobicContact CG-CB 4.15Å; P94-A97 WeakPolarHBondContact O-CB 3.13Å; P94-A97 PolarHBondContact O-N 3.49Å; A97-K99 VanDerWaalsContact C-N 3.35Å; A97-K99 PolarHBondContact O-N 3.03Å; A97-M100 CarbonylContact O-C 3.49Å; A97-M100 WeakPolarHBondContact O-CA 3.4Å; A97-M100 WeakPolarHBondContact O-CB 3.31Å; A97-M100 PolarHBondContact O-N 2.94Å; A97-A101 VanDerWaalsContact O-CB 3.27Å; A97-A101 WeakPolarHBondContact O-CB 3.5Å; A97-A101 PolarHBondContact O-N 3.13Å; A97-L129 HydrophobicContact CB-CD2 3.87Å |
| 98 | H | 94.1 | Very high | 92.6 | Very high | 27 Ų | 27 | 44.5 Ų | 44.5 | 13% | 0.125 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.6 | -43.3 | 174.5 | 64 | -81.3 | 0 | 0 | 0 | 112.8 | D95 N96 M100 A101 S102 S125 K126 L129 | D95-H98 PolarHBondContact O-CE1 3.03Å; D95-H98 PolarHBondContact O-ND1 3Å; N96-H98 PolarHBondContact O-N 3.26Å; N96-H98 VanDerWaalsContact O-N 3.16Å; H98-M100 VanDerWaalsContact C-N 3.29Å; H98-M100 PolarHBondContact O-N 2.64Å; H98-A101 PolarHBondContact O-N 3.49Å; H98-S102 PolarHBondContact O-N 2.74Å; H98-S125 VanDerWaalsContact CB-O 3.23Å; H98-S125 WeakPolarHBondContact CB-O 3.2Å; H98-S125 VanDerWaalsContact CG-C 3.42Å; H98-K126 PolarHBondContact ND1-N 2.76Å; H98-L129 HydrophobicContact CB-CB 4.46Å |
| 99 | K | 94.1 | Very high | 93.1 | Very high | 159 Ų | 159 | 44.1 Ų | 44.1 | 69% | 0.691 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -69.9 | -25.1 | 175.4 | -49.9 | -171 | -179.9 | -178.6 | 0 | 113 | N96 A97 | N96-K99 WeakPolarHBondContact O-CA 3.44Å; N96-K99 WeakPolarHBondContact O-CB 3.34Å; N96-K99 PolarHBondContact O-N 2.81Å; A97-K99 VanDerWaalsContact C-N 3.35Å; A97-K99 PolarHBondContact O-N 3.03Å |
| 100 | M | 92.3 | Very high | 93.2 | Very high | 47 Ų | 47 | 42.9 Ų | 42.9 | 23% | 0.232 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -79.3 | -32.1 | 172.5 | -60.9 | 176.9 | 74.4 | 0 | 0 | 111.7 | I48 P94 N96 A97 H98 R104 | I48-M100 WeakPolarHBondContact CG2-O 3.47Å; P94-M100 HydrophobicContact CG-SD 4.32Å; N96-M100 PolarHBondContact O-N 2.88Å; N96-M100 VanDerWaalsContact O-N 3.08Å; A97-M100 CarbonylContact O-C 3.49Å; A97-M100 WeakPolarHBondContact O-CA 3.4Å; A97-M100 WeakPolarHBondContact O-CB 3.31Å; A97-M100 PolarHBondContact O-N 2.94Å; H98-M100 VanDerWaalsContact C-N 3.29Å; H98-M100 PolarHBondContact O-N 2.64Å; M100-R104 VanDerWaalsContact O-CZ 3.29Å; M100-R104 PolarHBondContact O-NE 2.86Å; M100-R104 PolarHBondContact O-NH2 3.36Å |
| 101 | A | 93.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -82.4 | -39.9 | -177 | 0 | 0 | 0 | 0 | 0 | 113.4 | A97 H98 G103 R104 L105 Y123 L129 | A97-A101 VanDerWaalsContact O-CB 3.27Å; A97-A101 WeakPolarHBondContact O-CB 3.5Å; A97-A101 PolarHBondContact O-N 3.13Å; H98-A101 PolarHBondContact O-N 3.49Å; A101-G103 PolarHBondContact O-N 2.65Å; A101-R104 CarbonylContact O-C 3.59Å; A101-R104 PolarHBondContact O-N 2.78Å; A101-L105 HydrophobicContact CB-CB 3.94Å; A101-L105 HydrophobicContact CB-CD2 3.87Å; A101-L105 PolarHBondContact O-N 3.39Å; A101-Y123 HydrophobicContact CB-CD2 3.63Å; A101-Y123 HydrophobicContact CB-CE2 3.77Å; A101-L129 HydrophobicContact CB-CD1 4.11Å; A101-L129 HydrophobicContact CB-CD2 3.95Å |
| 102 | S | 94.7 | Very high | 93.3 | Very high | 31 Ų | 31 | 39.4 Ų | 39.4 | 22% | 0.217 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 136 | 178.7 | -100.6 | 0 | 0 | 0 | 0 | 112.7 | H98 R104 S121 E122 Y123 | H98-S102 PolarHBondContact O-N 2.74Å; S102-R104 PolarHBondContact O-N 3.19Å; S102-S121 WeakPolarHBondContact CA-O 3.32Å; S102-E122 WeakPolarHBondContact CB-OE2 3.33Å; S102-E122 PolarHBondContact OG-OE2 2.97Å; S102-Y123 PolarHBondContact OG-N 2.92Å |
| 103 | G | 92.7 | Very high | 93.4 | Very high | 32 Ų | 32 | 40.3 Ų | 40.3 | 33% | 0.33 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | -8.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | A101 S121 E122 | A101-G103 PolarHBondContact O-N 2.65Å; G103-S121 PolarHBondContact N-O 3.49Å; G103-E122 VanDerWaalsContact CA-OE1 3.32Å; G103-E122 WeakPolarHBondContact CA-OE1 3.27Å; G103-E122 PolarHBondContact N-OE1 3.48Å |
| 104 | R | 93.8 | Very high | 93.2 | Very high | 92 Ų | 92 | 43.4 Ų | 43.4 | 35% | 0.347 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.5 | -27.4 | -170.4 | -57.2 | -163.6 | -60.5 | 159.5 | 3.4 | 115.1 | H32 K33 I34 I48 M100 A101 S102 | H32-R104 WeakPolarHBondContact O-CB 3.11Å; H32-R104 WeakPolarHBondContact O-CG 3.21Å; K33-R104 CarbonylContact C-O 3.57Å; K33-R104 VanDerWaalsContact CA-O 3.26Å; K33-R104 WeakPolarHBondContact CA-O 3.33Å; I34-R104 PolarHBondContact N-O 3.28Å; I48-R104 HydrophobicContact CD1-CB 4.13Å; M100-R104 VanDerWaalsContact O-CZ 3.29Å; M100-R104 PolarHBondContact O-NE 2.86Å; M100-R104 PolarHBondContact O-NH2 3.36Å; A101-R104 CarbonylContact O-C 3.59Å; A101-R104 PolarHBondContact O-N 2.78Å; S102-R104 PolarHBondContact O-N 3.19Å |
| 105 | L | 95.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 117.9 | 179.6 | 174.1 | 63.2 | 0 | 0 | 0 | 109.8 | I34 A44 C45 A101 I107 Y123 L129 | I34-L105 HydrophobicContact CG2-CB 4.42Å; I34-L105 HydrophobicContact CG2-CD1 3.66Å; I34-L105 WeakPolarHBondContact O-CA 3.18Å; A44-L105 HydrophobicContact CB-CD1 3.67Å; C45-L105 HydrophobicContact CB-CD2 3.71Å; A101-L105 HydrophobicContact CB-CB 3.94Å; A101-L105 HydrophobicContact CB-CD2 3.87Å; A101-L105 PolarHBondContact O-N 3.39Å; L105-I107 HydrophobicContact CD1-CG1 4.39Å; L105-I107 HydrophobicContact CD2-CD1 4.13Å; L105-I107 HydrophobicContact CD2-CG1 4.35Å; L105-I107 HydrophobicContact CG-CD1 4.36Å; L105-I107 HydrophobicContact CG-CG1 4.05Å; L105-Y123 HydrophobicContact CB-CE2 4.33Å; L105-Y123 WeakPolarHBondContact O-CE2 3.44Å; L105-Y123 PolarHBondContact O-OH 2.73Å; L105-L129 HydrophobicContact CD2-CD1 3.8Å |
| 106 | F | 96.6 | Very high | 92.8 | Very high | 29 Ų | 29 | 39.8 Ų | 39.8 | 13% | 0.127 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 102.3 | -175.2 | -70.3 | -104 | 0 | 0 | 0 | 110.3 | K33 I34 S35 G36 L119 V120 S121 L167 | K33-F106 HydrophobicContact CB-CD2 4.22Å; K33-F106 HydrophobicContact CB-CE2 3.91Å; K33-F106 HydrophobicContact CD-CE2 3.75Å; K33-F106 HydrophobicContact CD-CZ 4Å; K33-F106 HydrophobicContact CG-CE2 3.84Å; I34-F106 PolarHBondContact O-N 2.92Å; S35-F106 CarbonylContact C-O 3.6Å; S35-F106 WeakPolarHBondContact CA-O 3.31Å; G36-F106 PolarHBondContact N-O 3.1Å; F106-L119 HydrophobicContact CB-CD1 4.02Å; F106-L119 HydrophobicContact CB-CD2 4.22Å; F106-L119 HydrophobicContact CB-CG 4.02Å; F106-L119 HydrophobicContact CD1-CD2 3.93Å; F106-L119 HydrophobicContact CD1-CG 4.14Å; F106-V120 CarbonylContact C-O 3.6Å; F106-V120 VanDerWaalsContact CA-O 3.26Å; F106-V120 WeakPolarHBondContact CA-O 3.1Å; F106-S121 VanDerWaalsContact CE1-CB 3.4Å; F106-L167 HydrophobicContact CB-CD2 3.97Å; F106-L167 HydrophobicContact CD1-CD2 3.85Å; F106-L167 HydrophobicContact CD2-CD1 3.87Å; F106-L167 HydrophobicContact CD2-CD2 4.32Å; F106-L167 HydrophobicContact CE1-CD2 4.46Å; F106-L167 HydrophobicContact CE2-CD1 4.33Å; F106-L167 HydrophobicContact CG-CD1 4.15Å; F106-L167 HydrophobicContact CG-CD2 3.78Å |
| 107 | I | 97.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 120.3 | -175.8 | -64.1 | 173.5 | 0 | 0 | 0 | 110 | A41 L105 L109 L119 V120 Y123 L129 A132 L133 S136 | A41-I107 HydrophobicContact CB-CG1 4.29Å; A41-I107 HydrophobicContact CB-CG2 4.23Å; L105-I107 HydrophobicContact CD1-CG1 4.39Å; L105-I107 HydrophobicContact CD2-CD1 4.13Å; L105-I107 HydrophobicContact CD2-CG1 4.35Å; L105-I107 HydrophobicContact CG-CD1 4.36Å; L105-I107 HydrophobicContact CG-CG1 4.05Å; I107-L109 HydrophobicContact CG2-CD2 3.89Å; I107-L109 HydrophobicContact CG2-CG 4.38Å; I107-L119 WeakPolarHBondContact O-CA 3.39Å; I107-V120 PolarHBondContact N-O 2.74Å; I107-V120 PolarHBondContact O-N 3.17Å; I107-Y123 HydrophobicContact CD1-CE1 3.9Å; I107-Y123 WeakPolarHBondContact CD1-OH 3.32Å; I107-Y123 WeakPolarHBondContact CG1-OH 3.48Å; I107-L129 HydrophobicContact CD1-CD1 3.97Å; I107-A132 HydrophobicContact CD1-CB 4.04Å; I107-L133 HydrophobicContact CD1-CD2 3.59Å; I107-L133 HydrophobicContact CD1-CG 3.74Å; I107-L133 HydrophobicContact CG1-CD2 4.33Å; I107-S136 VanDerWaalsContact CG2-CB 3.48Å |
| 108 | S | 96.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 124.7 | 172.4 | 174 | 0 | 0 | 0 | 0 | 110.6 | G36 N117 S136 G158 D162 | G36-S108 WeakPolarHBondContact O-CB 3.28Å; G36-S108 PolarHBondContact O-N 2.87Å; S108-N117 PolarHBondContact OG-ND2 3.02Å; S108-S136 WeakPolarHBondContact O-CB 3.47Å; S108-S136 PolarHBondContact O-OG 3.44Å; S108-G158 VanDerWaalsContact O-CA 3.29Å; S108-G158 WeakPolarHBondContact O-CA 3.3Å; S108-G158 WeakPolarHBondContact OG-CA 3.46Å; S108-G158 PolarHBondContact OG-O 3.28Å; S108-D162 WeakPolarHBondContact CB-O 3.26Å; S108-D162 PolarHBondContact OG-O 2.77Å |
| 109 | L | 95.5 | Very high | 93 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 144.3 | 172.5 | -57.3 | -175.5 | 0 | 0 | 0 | 110.3 | I107 N117 F118 V120 A132 C135 F150 Y155 | I107-L109 HydrophobicContact CG2-CD2 3.89Å; I107-L109 HydrophobicContact CG2-CG 4.38Å; L109-N117 CarbonylContact O-C 3.56Å; L109-N117 WeakPolarHBondContact O-CA 3.41Å; L109-N117 PolarHBondContact O-ND2 2.99Å; L109-F118 WeakPolarHBondContact CB-O 3.41Å; L109-F118 PolarHBondContact N-O 3.28Å; L109-F118 PolarHBondContact O-N 2.69Å; L109-V120 HydrophobicContact CD1-CG2 3.57Å; L109-V120 HydrophobicContact CG-CG2 4.09Å; L109-A132 WeakPolarHBondContact CD2-O 3.48Å; L109-C135 HydrophobicContact CD1-CB 4.34Å; L109-C135 HydrophobicContact CD2-CB 3.62Å; L109-F150 HydrophobicContact CD1-CB 4.38Å; L109-F150 HydrophobicContact CD1-CD1 4.04Å; L109-F150 HydrophobicContact CD1-CG 4.33Å; L109-Y155 HydrophobicContact CB-CD1 3.61Å; L109-Y155 HydrophobicContact CB-CE1 4.23Å; L109-Y155 HydrophobicContact CB-CG 4.09Å; L109-Y155 HydrophobicContact CD1-CD1 4.02Å; L109-Y155 HydrophobicContact CD1-CD2 4.12Å; L109-Y155 HydrophobicContact CD1-CE1 4.34Å; L109-Y155 HydrophobicContact CD1-CE2 4.42Å; L109-Y155 HydrophobicContact CD1-CG 3.93Å; L109-Y155 HydrophobicContact CG-CD1 4.46Å |
| 110 | T | 94.5 | Very high | 93 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 118.9 | 169.7 | -55.9 | 0 | 0 | 0 | 0 | 109.6 | Y155 I156 D157 G158 W160 S161 F402 | T110-Y155 CarbonylContact O-C 3.4Å; T110-Y155 VanDerWaalsContact O-CA 3.32Å; T110-Y155 WeakPolarHBondContact O-CA 3.5Å; T110-I156 HydrophobicContact CG2-CD1 4.29Å; T110-I156 HydrophobicContact CG2-CG1 3.99Å; T110-I156 PolarHBondContact N-O 3.23Å; T110-I156 PolarHBondContact O-N 3.19Å; T110-D157 WeakPolarHBondContact CB-O 3.48Å; T110-D157 PolarHBondContact OG1-O 2.96Å; T110-G158 PolarHBondContact OG1-O 3.34Å; T110-W160 HydrophobicContact CG2-CB 3.95Å; T110-S161 WeakPolarHBondContact OG1-CB 3.44Å; T110-S161 PolarHBondContact OG1-N 2.75Å; T110-S161 PolarHBondContact OG1-OG 3.13Å; T110-F402 HydrophobicContact CG2-CZ 4.14Å |
| 111 | R | 92.6 | Very high | 93.2 | Very high | 81 Ų | 81 | 36 Ų | 36 | 31% | 0.306 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 128.1 | 179.6 | -174.9 | 166.9 | 59.6 | -160.1 | 1 | 111 | S113 D114 G115 V116 V153 Y155 | R111-S113 WeakPolarHBondContact CG-OG 3.45Å; R111-S113 PolarHBondContact O-N 3.19Å; R111-D114 WeakPolarHBondContact CG-OD1 3.35Å; R111-D114 IonicContact CZ-OD1 3.2Å; R111-D114 IonicContact CZ-OD2 2.79Å; R111-D114 IonicContact NE-OD1 2.78Å; R111-D114 PolarHBondContact NE-OD1 3.27Å; R111-D114 IonicContact NE-OD2 3.69Å; R111-D114 PolarHBondContact NE-OD2 3.18Å; R111-D114 IonicContact NH2-OD1 3.53Å; R111-D114 IonicContact NH2-OD2 2.78Å; R111-D114 PolarHBondContact NH2-OD2 2.98Å; R111-G115 VanDerWaalsContact O-CA 3.29Å; R111-G115 WeakPolarHBondContact O-CA 3.31Å; R111-G115 PolarHBondContact O-N 3.05Å; R111-V116 PolarHBondContact N-O 2.95Å; R111-V153 HydrophobicContact CG-CG1 3.95Å; R111-Y155 HydrophobicContact CB-CD1 3.95Å; R111-Y155 HydrophobicContact CB-CE1 3.73Å; R111-Y155 HydrophobicContact CG-CD1 4.44Å; R111-Y155 HydrophobicContact CG-CE1 4.05Å |
| 112 | L | 89 | Confident | 93.3 | Very high | 7 Ų | 7 | 41 Ų | 41 | 4% | 0.037 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -29.9 | -170.4 | -177.8 | 61.3 | 0 | 0 | 0 | 114.2 | D114 P147 H154 I156 Q398 V399 F402 | L112-D114 VanDerWaalsContact C-N 3.35Å; L112-D114 PolarHBondContact O-N 2.86Å; L112-P147 HydrophobicContact CD2-CB 4.42Å; L112-P147 HydrophobicContact CD2-CG 3.73Å; L112-H154 HydrophobicContact CB-CB 4.13Å; L112-H154 WeakPolarHBondContact CB-O 3.42Å; L112-H154 HydrophobicContact CD2-CB 3.93Å; L112-H154 PolarHBondContact N-O 3.42Å; L112-H154 VanDerWaalsContact N-O 3.1Å; L112-I156 HydrophobicContact CD1-CG2 4.04Å; L112-Q398 HydrophobicContact CD2-CB 4.14Å; L112-V399 HydrophobicContact CD1-CG2 4.2Å; L112-V399 HydrophobicContact CD2-CG2 4.17Å; L112-F402 HydrophobicContact CD1-CB 3.73Å; L112-F402 HydrophobicContact CD1-CD1 4.29Å; L112-F402 HydrophobicContact CD1-CD2 4.46Å; L112-F402 HydrophobicContact CD1-CG 3.88Å; L112-F402 WeakPolarHBondContact O-CD2 3.06Å |
| 113 | S | 86.7 | Confident | 93.3 | Very high | 86 Ų | 86 | 39.9 Ų | 39.9 | 60% | 0.601 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -32.7 | -175.1 | 46.8 | 0 | 0 | 0 | 0 | 114.4 | R111 | R111-S113 WeakPolarHBondContact CG-OG 3.45Å; R111-S113 PolarHBondContact O-N 3.19Å |
| 114 | D | 86.8 | Confident | 93.3 | Very high | 70 Ų | 70 | 45.9 Ų | 45.9 | 37% | 0.374 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -144.1 | -13.4 | -165 | 58.8 | -29.5 | 0 | 0 | 0 | 114.2 | R111 L112 V116 | R111-D114 WeakPolarHBondContact CG-OD1 3.35Å; R111-D114 IonicContact CZ-OD1 3.2Å; R111-D114 IonicContact CZ-OD2 2.79Å; R111-D114 IonicContact NE-OD1 2.78Å; R111-D114 PolarHBondContact NE-OD1 3.27Å; R111-D114 IonicContact NE-OD2 3.69Å; R111-D114 PolarHBondContact NE-OD2 3.18Å; R111-D114 IonicContact NH2-OD1 3.53Å; R111-D114 IonicContact NH2-OD2 2.78Å; R111-D114 PolarHBondContact NH2-OD2 2.98Å; L112-D114 VanDerWaalsContact C-N 3.35Å; L112-D114 PolarHBondContact O-N 2.86Å; D114-V116 VanDerWaalsContact C-N 3.31Å; D114-V116 HydrophobicContact CB-CG2 4.38Å; D114-V116 PolarHBondContact O-N 2.97Å; D114-V116 WeakPolarHBondContact OD2-CG2 3.42Å |
| 115 | G | 85.8 | Confident | 93.4 | Very high | 14 Ų | 14 | 43.8 Ų | 43.8 | 14% | 0.144 | 23% | 0.23 | C | C | . | . | trans | 79.4 | 9 | 178 | 0 | 0 | 0 | 0 | 0 | 115.6 | R111 F402 | R111-G115 VanDerWaalsContact O-CA 3.29Å; R111-G115 WeakPolarHBondContact O-CA 3.31Å; R111-G115 PolarHBondContact O-N 3.05Å; G115-F402 VanDerWaalsContact CA-CE2 3.5Å | ||
| 116 | V | 91 | Very high | 93.4 | Very high | 77 Ų | 77 | 45.4 Ų | 45.4 | 47% | 0.467 | 24% | 0.237 | S | C | . | . | trans | -72.5 | 140.2 | 177.5 | 175.9 | 0 | 0 | 0 | 0 | 109.7 | R111 D114 | R111-V116 PolarHBondContact N-O 2.95Å; D114-V116 VanDerWaalsContact C-N 3.31Å; D114-V116 HydrophobicContact CB-CG2 4.38Å; D114-V116 PolarHBondContact O-N 2.97Å; D114-V116 WeakPolarHBondContact OD2-CG2 3.42Å | ||
| 117 | N | 94 | Very high | 93.3 | Very high | 49 Ų | 49 | 47.6 Ų | 47.6 | 26% | 0.262 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 138.9 | 172.8 | -171.2 | -96.8 | 0 | 0 | 0 | 110.7 | S108 L109 S161 | S108-N117 PolarHBondContact OG-ND2 3.02Å; L109-N117 CarbonylContact O-C 3.56Å; L109-N117 WeakPolarHBondContact O-CA 3.41Å; L109-N117 PolarHBondContact O-ND2 2.99Å; N117-S161 WeakPolarHBondContact CA-OG 3.3Å; N117-S161 WeakPolarHBondContact CB-OG 3.29Å; N117-S161 PolarHBondContact ND2-OG 2.98Å |
| 118 | F | 94 | Very high | 93.1 | Very high | 88 Ų | 88 | 48.5 Ų | 48.5 | 39% | 0.386 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 105.1 | 171.5 | -171.5 | -121.2 | 0 | 0 | 0 | 109.3 | L109 V120 F150 Y155 | L109-F118 WeakPolarHBondContact CB-O 3.41Å; L109-F118 PolarHBondContact N-O 3.28Å; L109-F118 PolarHBondContact O-N 2.69Å; F118-V120 HydrophobicContact CD1-CG2 3.66Å; F118-V120 HydrophobicContact CE1-CG2 3.72Å; F118-V120 PolarHBondContact O-N 3.28Å; F118-F150 HydrophobicContact CE1-CE1 4.25Å; F118-Y155 HydrophobicContact CB-CE1 3.87Å; F118-Y155 AromaticContact CD1-CE1 3.9Å; F118-Y155 HydrophobicContact CD1-CE1 3.9Å; F118-Y155 AromaticContact CD1-CZ 3.84Å; F118-Y155 WeakPolarHBondContact CD1-OH 3.32Å; F118-Y155 HydrophobicContact CG-CE1 4.22Å |
| 119 | L | 95.1 | Very high | 93.1 | Very high | 61 Ų | 61 | 48.5 Ų | 48.5 | 32% | 0.319 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 99 | -179.4 | -168.8 | 69.4 | 0 | 0 | 0 | 109.7 | F106 I107 P165 L167 | F106-L119 HydrophobicContact CB-CD1 4.02Å; F106-L119 HydrophobicContact CB-CD2 4.22Å; F106-L119 HydrophobicContact CB-CG 4.02Å; F106-L119 HydrophobicContact CD1-CD2 3.93Å; F106-L119 HydrophobicContact CD1-CG 4.14Å; I107-L119 WeakPolarHBondContact O-CA 3.39Å; L119-P165 HydrophobicContact CD1-CB 3.77Å; L119-P165 HydrophobicContact CD1-CG 4.1Å; L119-L167 HydrophobicContact CD2-CD2 3.89Å |
| 120 | V | 95.1 | Very high | 93.1 | Very high | 7 Ų | 7 | 48.5 Ų | 48.5 | 4% | 0.042 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 128.1 | -177.5 | -176.8 | 0 | 0 | 0 | 0 | 110.1 | F106 I107 L109 F118 Y123 F150 | F106-V120 CarbonylContact C-O 3.6Å; F106-V120 VanDerWaalsContact CA-O 3.26Å; F106-V120 WeakPolarHBondContact CA-O 3.1Å; I107-V120 PolarHBondContact N-O 2.74Å; I107-V120 PolarHBondContact O-N 3.17Å; L109-V120 HydrophobicContact CD1-CG2 3.57Å; L109-V120 HydrophobicContact CG-CG2 4.09Å; F118-V120 HydrophobicContact CD1-CG2 3.66Å; F118-V120 HydrophobicContact CE1-CG2 3.72Å; F118-V120 PolarHBondContact O-N 3.28Å; V120-Y123 HydrophobicContact CB-CE1 4.37Å; V120-Y123 HydrophobicContact CG1-CD1 4.16Å; V120-Y123 HydrophobicContact CG1-CE1 3.55Å; V120-Y123 PolarHBondContact O-OH 2.77Å; V120-F150 HydrophobicContact CB-CE1 4.45Å; V120-F150 HydrophobicContact CG1-CE1 3.85Å; V120-F150 HydrophobicContact CG1-CZ 3.6Å; V120-F150 HydrophobicContact CG2-CD1 4.18Å; V120-F150 HydrophobicContact CG2-CE1 3.65Å; V120-F150 HydrophobicContact CG2-CZ 4.21Å |
| 121 | S | 95.4 | Very high | 93.1 | Very high | 33 Ų | 33 | 50.5 Ų | 50.5 | 23% | 0.231 | 27% | 0.266 | C | S | . | . | trans | -118.8 | -9.3 | 175.8 | 70.7 | 0 | 0 | 0 | 0 | 114.9 | S102 G103 F106 | S102-S121 WeakPolarHBondContact CA-O 3.32Å; G103-S121 PolarHBondContact N-O 3.49Å; F106-S121 VanDerWaalsContact CE1-CB 3.4Å | ||
| 122 | E | 95.4 | Very high | 93.2 | Very high | 103 Ų | 103 | 46.6 Ų | 46.6 | 48% | 0.481 | 25% | 0.251 | S | S | . | . | trans | -128.7 | 132.9 | -171.2 | -68.3 | -53.2 | 138.1 | 0 | 0 | 112.1 | S102 G103 | S102-E122 WeakPolarHBondContact CB-OE2 3.33Å; S102-E122 PolarHBondContact OG-OE2 2.97Å; G103-E122 VanDerWaalsContact CA-OE1 3.32Å; G103-E122 WeakPolarHBondContact CA-OE1 3.27Å; G103-E122 PolarHBondContact N-OE1 3.48Å | ||
| 123 | Y | 95.5 | Very high | 93.5 | Very high | 9 Ų | 9 | 46.3 Ų | 46.3 | 4% | 0.035 | 25% | 0.249 | C | C | . | . | trans | -132.6 | 120.2 | -171.9 | -47.2 | -82.3 | 0 | 0 | 0 | 111.3 | A101 S102 L105 I107 V120 D128 L129 A132 | A101-Y123 HydrophobicContact CB-CD2 3.63Å; A101-Y123 HydrophobicContact CB-CE2 3.77Å; S102-Y123 PolarHBondContact OG-N 2.92Å; L105-Y123 HydrophobicContact CB-CE2 4.33Å; L105-Y123 WeakPolarHBondContact O-CE2 3.44Å; L105-Y123 PolarHBondContact O-OH 2.73Å; I107-Y123 HydrophobicContact CD1-CE1 3.9Å; I107-Y123 WeakPolarHBondContact CD1-OH 3.32Å; I107-Y123 WeakPolarHBondContact CG1-OH 3.48Å; V120-Y123 HydrophobicContact CB-CE1 4.37Å; V120-Y123 HydrophobicContact CG1-CD1 4.16Å; V120-Y123 HydrophobicContact CG1-CE1 3.55Å; V120-Y123 PolarHBondContact O-OH 2.77Å; Y123-D128 WeakPolarHBondContact CA-OD2 3.45Å; Y123-L129 HydrophobicContact CD1-CB 3.95Å; Y123-L129 HydrophobicContact CD1-CD1 3.81Å; Y123-L129 HydrophobicContact CD2-CD1 4.24Å; Y123-L129 HydrophobicContact CE1-CD1 3.76Å; Y123-L129 HydrophobicContact CE2-CD1 4.23Å; Y123-L129 HydrophobicContact CG-CB 4.04Å; Y123-L129 HydrophobicContact CG-CD1 4.04Å; Y123-A132 HydrophobicContact CD1-CB 4.36Å; Y123-A132 HydrophobicContact CE1-CB 3.92Å | ||
| 124 | K | 93.4 | Very high | 93.9 | Very high | 158 Ų | 158 | 42.4 Ų | 42.4 | 69% | 0.687 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -77.6 | -27.4 | -174 | -65.5 | 163.8 | -178.7 | 158.3 | 0 | 113.3 | D128 Q151 | K124-D128 HydrophobicContact CB-CB 4.42Å; K124-D128 PolarHBondContact N-OD2 2.91Å; K124-Q151 VanDerWaalsContact NZ-CD 3.34Å |
| 125 | S | 95.2 | Very high | 94.2 | Very high | 47 Ų | 47 | 39.1 Ų | 39.1 | 33% | 0.329 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -154.3 | 170.7 | -178.3 | 74.4 | 0 | 0 | 0 | 0 | 111.5 | H98 D127 D128 L129 | H98-S125 VanDerWaalsContact CB-O 3.23Å; H98-S125 WeakPolarHBondContact CB-O 3.2Å; H98-S125 VanDerWaalsContact CG-C 3.42Å; S125-D127 VanDerWaalsContact C-N 3.3Å; S125-D127 PolarHBondContact O-N 2.93Å; S125-D127 PolarHBondContact OG-N 2.67Å; S125-D128 WeakPolarHBondContact O-CB 3.44Å; S125-D128 PolarHBondContact O-N 3.33Å; S125-D128 PolarHBondContact OG-N 3.34Å; S125-D128 VanDerWaalsContact OG-N 3.09Å; S125-L129 PolarHBondContact O-N 3.08Å; S125-L129 VanDerWaalsContact O-N 3.15Å |
| 126 | K | 94.7 | Very high | 94.6 | Very high | 34 Ų | 34 | 38.4 Ų | 38.4 | 15% | 0.148 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.5 | -41.4 | 173 | 169.7 | 165.6 | 157.8 | 176.9 | 0 | 111.4 | V90 L93 D95 H98 L129 I130 | V90-K126 WeakPolarHBondContact O-CE 3.27Å; V90-K126 PolarHBondContact O-NZ 2.89Å; L93-K126 WeakPolarHBondContact O-CE 3.39Å; L93-K126 PolarHBondContact O-NZ 2.92Å; D95-K126 WeakPolarHBondContact OD1-CD 3.37Å; D95-K126 IonicContact OD1-NZ 2.68Å; D95-K126 PolarHBondContact OD1-NZ 2.84Å; H98-K126 PolarHBondContact ND1-N 2.76Å; K126-L129 PolarHBondContact O-N 3.4Å; K126-I130 HydrophobicContact CG-CD1 3.71Å; K126-I130 HydrophobicContact CG-CG1 4.48Å; K126-I130 WeakPolarHBondContact O-CB 3.26Å; K126-I130 WeakPolarHBondContact O-CG1 3.27Å; K126-I130 PolarHBondContact O-N 3.5Å |
| 127 | D | 94.5 | Very high | 94.7 | Very high | 76 Ų | 76 | 35.2 Ų | 35.2 | 41% | 0.406 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -64.3 | -40.5 | 174 | -75.4 | -80.1 | 0 | 0 | 0 | 113.1 | R86 S125 L129 I130 D131 | R86-D127 IonicContact CZ-OD1 2.83Å; R86-D127 IonicContact NH1-OD1 2.76Å; R86-D127 PolarHBondContact NH1-OD1 3.28Å; R86-D127 IonicContact NH2-OD1 2.93Å; R86-D127 PolarHBondContact NH2-OD1 2.95Å; S125-D127 VanDerWaalsContact C-N 3.3Å; S125-D127 PolarHBondContact O-N 2.93Å; S125-D127 PolarHBondContact OG-N 2.67Å; D127-L129 VanDerWaalsContact C-N 3.32Å; D127-L129 PolarHBondContact O-N 3.48Å; D127-I130 CarbonylContact O-C 3.58Å; D127-I130 PolarHBondContact O-N 3.35Å; D127-I130 VanDerWaalsContact O-N 3.07Å; D127-D131 WeakPolarHBondContact O-CB 3.25Å; D127-D131 PolarHBondContact O-N 3.47Å |
| 128 | D | 94.8 | Very high | 94.5 | Very high | 19 Ų | 19 | 32.9 Ų | 32.9 | 10% | 0.102 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60 | -41.4 | 177.9 | -163 | 52.1 | 0 | 0 | 0 | 111.2 | Y123 K124 S125 A132 F150 Q151 | Y123-D128 WeakPolarHBondContact CA-OD2 3.45Å; K124-D128 HydrophobicContact CB-CB 4.42Å; K124-D128 PolarHBondContact N-OD2 2.91Å; S125-D128 WeakPolarHBondContact O-CB 3.44Å; S125-D128 PolarHBondContact O-N 3.33Å; S125-D128 PolarHBondContact OG-N 3.34Å; S125-D128 VanDerWaalsContact OG-N 3.09Å; D128-A132 WeakPolarHBondContact O-CB 3.48Å; D128-A132 PolarHBondContact O-N 3.22Å; D128-A132 VanDerWaalsContact O-N 3.08Å; D128-F150 VanDerWaalsContact O-CE2 3.27Å; D128-F150 WeakPolarHBondContact O-CE2 3.43Å; D128-F150 VanDerWaalsContact OD1-CE2 3.24Å; D128-F150 WeakPolarHBondContact OD1-CE2 3.41Å; D128-Q151 VanDerWaalsContact CG-NE2 3.34Å; D128-Q151 VanDerWaalsContact OD1-CG 3.24Å; D128-Q151 WeakPolarHBondContact OD1-CG 3.45Å; D128-Q151 PolarHBondContact OD1-NE2 3.26Å; D128-Q151 PolarHBondContact OD2-NE2 3.06Å |
| 129 | L | 95.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.8 | -41.6 | 171.3 | 173 | 61.6 | 0 | 0 | 0 | 112.8 | L93 A97 H98 A101 L105 I107 Y123 S125 K126 D127 A132 L133 | L93-L129 HydrophobicContact CD1-CD2 4.28Å; A97-L129 HydrophobicContact CB-CD2 3.87Å; H98-L129 HydrophobicContact CB-CB 4.46Å; A101-L129 HydrophobicContact CB-CD1 4.11Å; A101-L129 HydrophobicContact CB-CD2 3.95Å; L105-L129 HydrophobicContact CD2-CD1 3.8Å; I107-L129 HydrophobicContact CD1-CD1 3.97Å; Y123-L129 HydrophobicContact CD1-CB 3.95Å; Y123-L129 HydrophobicContact CD1-CD1 3.81Å; Y123-L129 HydrophobicContact CD2-CD1 4.24Å; Y123-L129 HydrophobicContact CE1-CD1 3.76Å; Y123-L129 HydrophobicContact CE2-CD1 4.23Å; Y123-L129 HydrophobicContact CG-CB 4.04Å; Y123-L129 HydrophobicContact CG-CD1 4.04Å; S125-L129 PolarHBondContact O-N 3.08Å; S125-L129 VanDerWaalsContact O-N 3.15Å; K126-L129 PolarHBondContact O-N 3.4Å; D127-L129 VanDerWaalsContact C-N 3.32Å; D127-L129 PolarHBondContact O-N 3.48Å; L129-A132 PolarHBondContact O-N 3.45Å; L129-L133 HydrophobicContact CD1-CD1 4.16Å; L129-L133 HydrophobicContact CD1-CG 4.32Å; L129-L133 HydrophobicContact CG-CD1 4.2Å; L129-L133 WeakPolarHBondContact O-CG 3.46Å; L129-L133 PolarHBondContact O-N 3.14Å |
| 130 | I | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.1 | -41.5 | 179.6 | -73.1 | 171.6 | 0 | 0 | 0 | 111 | R86 L89 V90 L93 K126 D127 L133 T134 | R86-I130 HydrophobicContact CG-CG2 3.41Å; R86-I130 VanDerWaalsContact CG-CG2 3.41Å; L89-I130 HydrophobicContact CB-CD1 4.35Å; L89-I130 HydrophobicContact CB-CG1 4Å; L89-I130 HydrophobicContact CB-CG2 4.29Å; L89-I130 HydrophobicContact CD1-CG2 4.46Å; V90-I130 HydrophobicContact CB-CD1 4.44Å; V90-I130 HydrophobicContact CG2-CD1 3.74Å; L93-I130 HydrophobicContact CD1-CD1 4.22Å; L93-I130 HydrophobicContact CD1-CG1 3.67Å; K126-I130 HydrophobicContact CG-CD1 3.71Å; K126-I130 HydrophobicContact CG-CG1 4.48Å; K126-I130 WeakPolarHBondContact O-CB 3.26Å; K126-I130 WeakPolarHBondContact O-CG1 3.27Å; K126-I130 PolarHBondContact O-N 3.5Å; D127-I130 CarbonylContact O-C 3.58Å; D127-I130 PolarHBondContact O-N 3.35Å; D127-I130 VanDerWaalsContact O-N 3.07Å; I130-L133 PolarHBondContact O-N 2.99Å; I130-T134 WeakPolarHBondContact O-CB 3.45Å; I130-T134 PolarHBondContact O-N 3.11Å; I130-T134 PolarHBondContact O-OG1 2.93Å |
| 131 | D | 94.6 | Very high | 92.4 | Very high | 41 Ų | 41 | 33 Ų | 33 | 22% | 0.219 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -71.4 | -34.1 | 179 | -69.6 | -30.5 | 0 | 0 | 0 | 111.1 | R86 D127 T134 C135 | R86-D131 IonicContact CZ-OD1 2.83Å; R86-D131 IonicContact NE-OD1 3.22Å; R86-D131 PolarHBondContact NE-OD1 2.86Å; R86-D131 IonicContact NH2-OD1 3.36Å; R86-D131 PolarHBondContact NH2-OD1 3.01Å; R86-D131 IonicContact NH2-OD2 2.82Å; R86-D131 PolarHBondContact NH2-OD2 3.46Å; D127-D131 WeakPolarHBondContact O-CB 3.25Å; D127-D131 PolarHBondContact O-N 3.47Å; D131-T134 PolarHBondContact O-N 2.65Å; D131-C135 WeakPolarHBondContact O-CB 3.25Å; D131-C135 PolarHBondContact O-N 2.83Å; D131-C135 PolarHBondContact O-SG 3.15Å |
| 132 | A | 95.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61 | -50.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I107 L109 Y123 D128 L129 T134 C135 S136 F150 | I107-A132 HydrophobicContact CD1-CB 4.04Å; L109-A132 WeakPolarHBondContact CD2-O 3.48Å; Y123-A132 HydrophobicContact CD1-CB 4.36Å; Y123-A132 HydrophobicContact CE1-CB 3.92Å; D128-A132 WeakPolarHBondContact O-CB 3.48Å; D128-A132 PolarHBondContact O-N 3.22Å; D128-A132 VanDerWaalsContact O-N 3.08Å; L129-A132 PolarHBondContact O-N 3.45Å; A132-T134 VanDerWaalsContact C-N 3.27Å; A132-T134 PolarHBondContact O-N 3.15Å; A132-C135 PolarHBondContact O-N 3.17Å; A132-S136 WeakPolarHBondContact O-CB 3.35Å; A132-S136 PolarHBondContact O-N 3.45Å; A132-F150 HydrophobicContact CB-CD2 3.86Å; A132-F150 HydrophobicContact CB-CE2 3.84Å; A132-F150 HydrophobicContact CB-CZ 4.47Å |
| 133 | L | 95.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.3 | -37.7 | 176.3 | -73.7 | 167.6 | 0 | 0 | 0 | 112.4 | A41 M42 C45 L89 L93 I107 L129 I130 S136 A137 | A41-L133 HydrophobicContact CB-CD2 4.04Å; M42-L133 HydrophobicContact CG-CD2 4.36Å; C45-L133 HydrophobicContact CB-CD1 4.21Å; C45-L133 HydrophobicContact CB-CD2 4.18Å; L89-L133 HydrophobicContact CD1-CB 3.74Å; L89-L133 HydrophobicContact CD1-CD1 3.98Å; L89-L133 HydrophobicContact CD2-CD1 4.11Å; L93-L133 HydrophobicContact CD1-CD1 4.27Å; I107-L133 HydrophobicContact CD1-CD2 3.59Å; I107-L133 HydrophobicContact CD1-CG 3.74Å; I107-L133 HydrophobicContact CG1-CD2 4.33Å; L129-L133 HydrophobicContact CD1-CD1 4.16Å; L129-L133 HydrophobicContact CD1-CG 4.32Å; L129-L133 HydrophobicContact CG-CD1 4.2Å; L129-L133 WeakPolarHBondContact O-CG 3.46Å; L129-L133 PolarHBondContact O-N 3.14Å; I130-L133 PolarHBondContact O-N 2.99Å; L133-S136 PolarHBondContact O-N 3.15Å; L133-A137 PolarHBondContact O-N 3.45Å |
| 134 | T | 93.6 | Very high | 89.4 | Confident | 5 Ų | 5 | 28.2 Ų | 28.2 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -70 | -39.3 | 178.8 | -62.5 | 0 | 0 | 0 | 0 | 111.7 | T82 I130 D131 A132 F138 P148 | T82-T134 HydrophobicContact CG2-CG2 3.35Å; I130-T134 WeakPolarHBondContact O-CB 3.45Å; I130-T134 PolarHBondContact O-N 3.11Å; I130-T134 PolarHBondContact O-OG1 2.93Å; D131-T134 PolarHBondContact O-N 2.65Å; A132-T134 VanDerWaalsContact C-N 3.27Å; A132-T134 PolarHBondContact O-N 3.15Å; T134-F138 PolarHBondContact O-N 3.28Å; T134-P148 HydrophobicContact CG2-CB 4.38Å; T134-P148 HydrophobicContact CG2-CG 4.43Å |
| 135 | C | 94.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.2 | -45.5 | 170 | -70.5 | 0 | 0 | 0 | 0 | 111.5 | L109 D131 A132 A137 F138 P148 I156 D157 | L109-C135 HydrophobicContact CD1-CB 4.34Å; L109-C135 HydrophobicContact CD2-CB 3.62Å; D131-C135 WeakPolarHBondContact O-CB 3.25Å; D131-C135 PolarHBondContact O-N 2.83Å; D131-C135 PolarHBondContact O-SG 3.15Å; A132-C135 PolarHBondContact O-N 3.17Å; C135-A137 PolarHBondContact O-N 3.24Å; C135-A137 VanDerWaalsContact O-N 3.15Å; C135-F138 PolarHBondContact O-N 3.26Å; C135-F138 VanDerWaalsContact O-N 3.08Å; C135-P148 HydrophobicContact CB-CG 4.21Å; C135-P148 VanDerWaalsContact SG-CG 3.59Å; C135-I156 CarbonylContact O-C 3.55Å; C135-I156 VanDerWaalsContact O-C 3.25Å; C135-D157 PolarHBondContact O-N 2.79Å |
| 136 | S | 94.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.2 | -20.7 | -177.4 | -162.3 | 0 | 0 | 0 | 0 | 113.8 | S38 I107 S108 A132 L133 D157 G158 | S38-S136 WeakPolarHBondContact CA-O 3.3Å; S38-S136 WeakPolarHBondContact CB-O 3.13Å; S38-S136 PolarHBondContact N-O 3.32Å; S38-S136 PolarHBondContact N-OG 3.25Å; I107-S136 VanDerWaalsContact CG2-CB 3.48Å; S108-S136 WeakPolarHBondContact O-CB 3.47Å; S108-S136 PolarHBondContact O-OG 3.44Å; A132-S136 WeakPolarHBondContact O-CB 3.35Å; A132-S136 PolarHBondContact O-N 3.45Å; L133-S136 PolarHBondContact O-N 3.15Å; S136-D157 VanDerWaalsContact O-CA 3.23Å; S136-D157 WeakPolarHBondContact O-CA 3.3Å; S136-D157 WeakPolarHBondContact O-CB 3.36Å; S136-G158 PolarHBondContact O-N 3.14Å |
| 137 | A | 92 | Very high | 87.2 | Confident | 9 Ų | 9 | 22.2 Ų | 22.2 | 7% | 0.074 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 14.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | M42 I85 L133 C135 I139 S143 | M42-A137 HydrophobicContact CE-CB 3.48Å; M42-A137 VanDerWaalsContact CE-CB 3.48Å; I85-A137 HydrophobicContact CD1-CB 4.32Å; L133-A137 PolarHBondContact O-N 3.45Å; C135-A137 PolarHBondContact O-N 3.24Å; C135-A137 VanDerWaalsContact O-N 3.15Å; A137-I139 PolarHBondContact O-N 3.18Å; A137-S143 PolarHBondContact O-OG 2.83Å |
| 138 | F | 90.8 | Very high | 87 | Confident | 1 Ų | 1 | 19.7 Ų | 19.7 | 0% | 0.004 | 11% | 0.112 | C | C | . | . | trans | -84.3 | 92 | 175.5 | -174 | -94.5 | 0 | 0 | 0 | 111.1 | T134 C135 P140 G144 V146 P147 P148 I156 D157 | T134-F138 PolarHBondContact O-N 3.28Å; C135-F138 PolarHBondContact O-N 3.26Å; C135-F138 VanDerWaalsContact O-N 3.08Å; F138-P140 HydrophobicContact CD1-CG 4.36Å; F138-P140 HydrophobicContact CE1-CB 4.19Å; F138-P140 HydrophobicContact CE1-CG 4.12Å; F138-P140 WeakPolarHBondContact O-CD 3.35Å; F138-G144 VanDerWaalsContact CZ-O 3.3Å; F138-G144 WeakPolarHBondContact CZ-O 3.36Å; F138-V146 WeakPolarHBondContact CE2-O 3.5Å; F138-V146 WeakPolarHBondContact CZ-O 3.46Å; F138-P147 HydrophobicContact CD1-CB 3.97Å; F138-P147 HydrophobicContact CE1-CB 3.7Å; F138-P147 HydrophobicContact CZ-CB 4.28Å; F138-P148 HydrophobicContact CB-CG 3.92Å; F138-P148 VanDerWaalsContact CD2-CD 3.47Å; F138-P148 HydrophobicContact CD2-CG 4.37Å; F138-P148 HydrophobicContact CG-CG 4.16Å; F138-I156 HydrophobicContact CD1-CB 4.34Å; F138-I156 HydrophobicContact CD1-CG2 4.04Å; F138-I156 HydrophobicContact CE1-CG2 4.48Å; F138-D157 WeakPolarHBondContact O-CB 3.43Å; F138-D157 PolarHBondContact O-N 2.99Å | ||
| 139 | I | 85.9 | Confident | 86.8 | Confident | 36 Ų | 36 | 23.8 Ų | 23.8 | 19% | 0.185 | 13% | 0.131 | C | C | . | . | trans | -82.2 | 118 | 168.7 | -56.7 | 175.9 | 0 | 0 | 0 | 107.5 | A137 Y142 S143 D157 | A137-I139 PolarHBondContact O-N 3.18Å; I139-Y142 HydrophobicContact CB-CD1 4.14Å; I139-Y142 HydrophobicContact CB-CG 4.45Å; I139-Y142 HydrophobicContact CD1-CD1 4.2Å; I139-Y142 HydrophobicContact CD1-CE1 4.42Å; I139-Y142 HydrophobicContact CG2-CD1 4.49Å; I139-Y142 HydrophobicContact CG2-CG 4.36Å; I139-Y142 PolarHBondContact O-N 3.37Å; I139-S143 PolarHBondContact N-OG 3.23Å; I139-S143 WeakPolarHBondContact O-CB 3.3Å; I139-S143 PolarHBondContact O-N 3Å; I139-D157 HydrophobicContact CG1-CB 4.12Å | ||
| 140 | P | 78.1 | Confident | 86.6 | Confident | 13 Ų | 13 | 24 Ų | 24 | 8% | 0.084 | 13% | 0.132 | C | C | . | . | B | Isolated β-bridge | trans | -60.6 | 146.2 | -177 | -23.5 | 34.2 | 0 | 0 | 0 | 113.2 | F138 Y142 I156 V399 | F138-P140 HydrophobicContact CD1-CG 4.36Å; F138-P140 HydrophobicContact CE1-CB 4.19Å; F138-P140 HydrophobicContact CE1-CG 4.12Å; F138-P140 WeakPolarHBondContact O-CD 3.35Å; P140-Y142 PolarHBondContact O-N 3.44Å; P140-I156 HydrophobicContact CG-CB 4.21Å; P140-I156 HydrophobicContact CG-CD1 4.21Å; P140-I156 HydrophobicContact CG-CG2 3.96Å; P140-V399 HydrophobicContact CB-CG1 3.58Å; P140-V399 HydrophobicContact CG-CG1 4.26Å |
| 141 | F | 74.9 | Confident | 86.4 | Confident | 108 Ų | 108 | 28.5 Ų | 28.5 | 47% | 0.474 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63 | -24.4 | -171.6 | -54.9 | -81.8 | 0 | 0 | 0 | 116 | G144 T145 V399 L403 | F141-G144 VanDerWaalsContact CA-O 3.31Å; F141-G144 WeakPolarHBondContact CA-O 3.4Å; F141-G144 PolarHBondContact N-O 3.29Å; F141-T145 HydrophobicContact CD1-CG2 4.28Å; F141-V399 HydrophobicContact CD2-CG1 4.4Å; F141-V399 HydrophobicContact CE2-CG1 3.66Å; F141-V399 HydrophobicContact CZ-CG1 4.08Å; F141-L403 HydrophobicContact CD2-CD1 4.31Å; F141-L403 HydrophobicContact CE2-CD1 3.77Å |
| 142 | Y | 73.2 | Confident | 86.1 | Confident | 22 Ų | 22 | 29.7 Ų | 29.7 | 9% | 0.086 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -50.9 | -179.1 | 179.6 | -85.9 | 0 | 0 | 0 | 112.4 | F10 P74 L75 L81 I139 P140 L217 | F10-Y142 WeakPolarHBondContact CD2-OH 3.36Å; F10-Y142 WeakPolarHBondContact CE2-OH 3.44Å; P74-Y142 HydrophobicContact CB-CD2 4.31Å; P74-Y142 HydrophobicContact CB-CE1 4.34Å; P74-Y142 HydrophobicContact CB-CE2 3.6Å; P74-Y142 HydrophobicContact CG-CE2 4.01Å; L75-Y142 HydrophobicContact CD2-CD2 3.8Å; L81-Y142 HydrophobicContact CD2-CD1 4.05Å; L81-Y142 HydrophobicContact CD2-CE1 3.61Å; I139-Y142 HydrophobicContact CB-CD1 4.14Å; I139-Y142 HydrophobicContact CB-CG 4.45Å; I139-Y142 HydrophobicContact CD1-CD1 4.2Å; I139-Y142 HydrophobicContact CD1-CE1 4.42Å; I139-Y142 HydrophobicContact CG2-CD1 4.49Å; I139-Y142 HydrophobicContact CG2-CG 4.36Å; I139-Y142 PolarHBondContact O-N 3.37Å; P140-Y142 PolarHBondContact O-N 3.44Å; Y142-L217 WeakPolarHBondContact CE2-O 3.14Å; Y142-L217 PolarHBondContact OH-O 3.01Å |
| 143 | S | 75.2 | Confident | 86 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.007 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -19.9 | 175.1 | -58.5 | 0 | 0 | 0 | 0 | 112.6 | N80 T82 A137 I139 | N80-S143 PolarHBondContact OD1-O 2.74Å; T82-S143 PolarHBondContact OG1-O 3.02Å; A137-S143 PolarHBondContact O-OG 2.83Å; I139-S143 PolarHBondContact N-OG 3.23Å; I139-S143 WeakPolarHBondContact O-CB 3.3Å; I139-S143 PolarHBondContact O-N 3Å |
| 144 | G | 74.7 | Confident | 85.8 | Confident | 23 Ų | 23 | 35 Ų | 35 | 24% | 0.237 | 20% | 0.203 | C | C | . | . | B | Isolated β-bridge | trans | 159.2 | -177.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F138 F141 | F138-G144 VanDerWaalsContact CZ-O 3.3Å; F138-G144 WeakPolarHBondContact CZ-O 3.36Å; F141-G144 VanDerWaalsContact CA-O 3.31Å; F141-G144 WeakPolarHBondContact CA-O 3.4Å; F141-G144 PolarHBondContact N-O 3.29Å |
| 145 | T | 71 | Confident | 85.8 | Confident | 49 Ų | 49 | 35.3 Ų | 35.3 | 30% | 0.301 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -110.6 | -11.4 | -179.9 | 53.6 | 0 | 0 | 0 | 0 | 114.3 | F141 F392 | F141-T145 HydrophobicContact CD1-CG2 4.28Å; T145-F392 HydrophobicContact CG2-CE2 4.08Å |
| 146 | V | 81.7 | Confident | 85.7 | Confident | 61 Ų | 61 | 35.3 Ų | 35.3 | 37% | 0.37 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -110.8 | 115.2 | 173.6 | -179.3 | 0 | 0 | 0 | 0 | 107.5 | F138 | F138-V146 WeakPolarHBondContact CE2-O 3.5Å; F138-V146 WeakPolarHBondContact CZ-O 3.46Å |
| 147 | P | 85.4 | Confident | 85.6 | Confident | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.019 | 21% | 0.206 | C | C | . | . | trans | -69.2 | 139.1 | 178.8 | 26.1 | -30.2 | 0 | 0 | 0 | 110.7 | L112 F138 H154 I156 V399 | L112-P147 HydrophobicContact CD2-CB 4.42Å; L112-P147 HydrophobicContact CD2-CG 3.73Å; F138-P147 HydrophobicContact CD1-CB 3.97Å; F138-P147 HydrophobicContact CE1-CB 3.7Å; F138-P147 HydrophobicContact CZ-CB 4.28Å; P147-H154 HydrophobicContact CG-CB 4.36Å; P147-H154 PolarHBondContact O-CE1 2.86Å; P147-H154 PolarHBondContact O-ND1 2.93Å; P147-I156 HydrophobicContact CB-CG2 4.36Å; P147-V399 HydrophobicContact CG-CG2 4.16Å | ||
| 148 | P | 89.8 | Confident | 85.5 | Confident | 23 Ų | 23 | 35.3 Ų | 35.3 | 15% | 0.149 | 20% | 0.203 | C | C | . | . | trans | -62.1 | 167.4 | 173.4 | 28.7 | -35.9 | 0 | 0 | 0 | 111.4 | T134 C135 F138 H154 Y155 | T134-P148 HydrophobicContact CG2-CB 4.38Å; T134-P148 HydrophobicContact CG2-CG 4.43Å; C135-P148 HydrophobicContact CB-CG 4.21Å; C135-P148 VanDerWaalsContact SG-CG 3.59Å; F138-P148 HydrophobicContact CB-CG 3.92Å; F138-P148 VanDerWaalsContact CD2-CD 3.47Å; F138-P148 HydrophobicContact CD2-CG 4.37Å; F138-P148 HydrophobicContact CG-CG 4.16Å; P148-H154 PolarHBondContact O-ND1 2.88Å; P148-Y155 PolarHBondContact O-N 3.29Å | ||
| 149 | M | 90.8 | Very high | 85.4 | Confident | 105 Ų | 105 | 35.9 Ų | 35.9 | 52% | 0.517 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 139.3 | 173.2 | -66.9 | -178.2 | -69.7 | 0 | 0 | 109.8 | V153 H154 | M149-V153 CarbonylContact C-O 3.4Å; M149-V153 VanDerWaalsContact CA-O 3.27Å; M149-V153 WeakPolarHBondContact CA-O 3.37Å; M149-H154 WeakPolarHBondContact CG-CE1 3.24Å; M149-H154 WeakPolarHBondContact CG-ND1 3.48Å |
| 150 | F | 92.2 | Very high | 85.4 | Confident | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 124.5 | 164.9 | 174 | -106.2 | 0 | 0 | 0 | 108 | L109 F118 V120 D128 A132 G152 V153 Y155 | L109-F150 HydrophobicContact CD1-CB 4.38Å; L109-F150 HydrophobicContact CD1-CD1 4.04Å; L109-F150 HydrophobicContact CD1-CG 4.33Å; F118-F150 HydrophobicContact CE1-CE1 4.25Å; V120-F150 HydrophobicContact CB-CE1 4.45Å; V120-F150 HydrophobicContact CG1-CE1 3.85Å; V120-F150 HydrophobicContact CG1-CZ 3.6Å; V120-F150 HydrophobicContact CG2-CD1 4.18Å; V120-F150 HydrophobicContact CG2-CE1 3.65Å; V120-F150 HydrophobicContact CG2-CZ 4.21Å; D128-F150 VanDerWaalsContact O-CE2 3.27Å; D128-F150 WeakPolarHBondContact O-CE2 3.43Å; D128-F150 VanDerWaalsContact OD1-CE2 3.24Å; D128-F150 WeakPolarHBondContact OD1-CE2 3.41Å; A132-F150 HydrophobicContact CB-CD2 3.86Å; A132-F150 HydrophobicContact CB-CE2 3.84Å; A132-F150 HydrophobicContact CB-CZ 4.47Å; F150-G152 PolarHBondContact O-N 3.14Å; F150-V153 PolarHBondContact N-O 3.48Å; F150-V153 PolarHBondContact O-N 3.42Å; F150-Y155 HydrophobicContact CB-CD2 3.79Å; F150-Y155 HydrophobicContact CB-CE2 3.9Å; F150-Y155 HydrophobicContact CD1-CE2 4.11Å |
| 151 | Q | 90.5 | Very high | 85.9 | Confident | 95 Ų | 95 | 38.9 Ų | 38.9 | 44% | 0.444 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | 36.8 | -178.5 | -56.4 | -169.4 | 10.5 | 0 | 0 | 114.8 | K124 D128 | K124-Q151 VanDerWaalsContact NZ-CD 3.34Å; D128-Q151 VanDerWaalsContact CG-NE2 3.34Å; D128-Q151 VanDerWaalsContact OD1-CG 3.24Å; D128-Q151 WeakPolarHBondContact OD1-CG 3.45Å; D128-Q151 PolarHBondContact OD1-NE2 3.26Å; D128-Q151 PolarHBondContact OD2-NE2 3.06Å |
| 152 | G | 89.4 | Confident | 86.6 | Confident | 65 Ų | 65 | 35.2 Ų | 35.2 | 67% | 0.67 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87.4 | 3.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | F150 | F150-G152 PolarHBondContact O-N 3.14Š|
| 153 | V | 92 | Very high | 87.5 | Confident | 57 Ų | 57 | 34.7 Ų | 34.7 | 35% | 0.345 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 140.6 | 177.6 | 176.4 | 0 | 0 | 0 | 0 | 110 | R111 M149 F150 Y155 | R111-V153 HydrophobicContact CG-CG1 3.95Å; M149-V153 CarbonylContact C-O 3.4Å; M149-V153 VanDerWaalsContact CA-O 3.27Å; M149-V153 WeakPolarHBondContact CA-O 3.37Å; F150-V153 PolarHBondContact N-O 3.48Å; F150-V153 PolarHBondContact O-N 3.42Å; V153-Y155 HydrophobicContact CB-CD2 4.42Å; V153-Y155 HydrophobicContact CB-CE2 3.64Å; V153-Y155 HydrophobicContact CG1-CD2 4.35Å; V153-Y155 HydrophobicContact CG1-CE1 4.45Å; V153-Y155 HydrophobicContact CG1-CE2 3.72Å; V153-Y155 WeakPolarHBondContact O-CD2 3.48Å; V153-Y155 WeakPolarHBondContact O-CE2 3.15Å |
| 154 | H | 92.1 | Very high | 88.3 | Confident | 54 Ų | 54 | 35.1 Ų | 35.1 | 25% | 0.25 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 132.8 | 175.2 | -73.6 | -69.5 | 0 | 0 | 0 | 112.2 | L112 P147 P148 M149 | L112-H154 HydrophobicContact CB-CB 4.13Å; L112-H154 WeakPolarHBondContact CB-O 3.42Å; L112-H154 HydrophobicContact CD2-CB 3.93Å; L112-H154 PolarHBondContact N-O 3.42Å; L112-H154 VanDerWaalsContact N-O 3.1Å; P147-H154 HydrophobicContact CG-CB 4.36Å; P147-H154 PolarHBondContact O-CE1 2.86Å; P147-H154 PolarHBondContact O-ND1 2.93Å; P148-H154 PolarHBondContact O-ND1 2.88Å; M149-H154 WeakPolarHBondContact CG-CE1 3.24Å; M149-H154 WeakPolarHBondContact CG-ND1 3.48Å |
| 155 | Y | 93.5 | Very high | 89.1 | Confident | 12 Ų | 12 | 34.1 Ų | 34.1 | 5% | 0.047 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 158.5 | 176.7 | -64.5 | -89.7 | 0 | 0 | 0 | 111 | L109 T110 R111 F118 P148 F150 V153 | L109-Y155 HydrophobicContact CB-CD1 3.61Å; L109-Y155 HydrophobicContact CB-CE1 4.23Å; L109-Y155 HydrophobicContact CB-CG 4.09Å; L109-Y155 HydrophobicContact CD1-CD1 4.02Å; L109-Y155 HydrophobicContact CD1-CD2 4.12Å; L109-Y155 HydrophobicContact CD1-CE1 4.34Å; L109-Y155 HydrophobicContact CD1-CE2 4.42Å; L109-Y155 HydrophobicContact CD1-CG 3.93Å; L109-Y155 HydrophobicContact CG-CD1 4.46Å; T110-Y155 CarbonylContact O-C 3.4Å; T110-Y155 VanDerWaalsContact O-CA 3.32Å; T110-Y155 WeakPolarHBondContact O-CA 3.5Å; R111-Y155 HydrophobicContact CB-CD1 3.95Å; R111-Y155 HydrophobicContact CB-CE1 3.73Å; R111-Y155 HydrophobicContact CG-CD1 4.44Å; R111-Y155 HydrophobicContact CG-CE1 4.05Å; F118-Y155 HydrophobicContact CB-CE1 3.87Å; F118-Y155 AromaticContact CD1-CE1 3.9Å; F118-Y155 HydrophobicContact CD1-CE1 3.9Å; F118-Y155 AromaticContact CD1-CZ 3.84Å; F118-Y155 WeakPolarHBondContact CD1-OH 3.32Å; F118-Y155 HydrophobicContact CG-CE1 4.22Å; P148-Y155 PolarHBondContact O-N 3.29Å; F150-Y155 HydrophobicContact CB-CD2 3.79Å; F150-Y155 HydrophobicContact CB-CE2 3.9Å; F150-Y155 HydrophobicContact CD1-CE2 4.11Å; V153-Y155 HydrophobicContact CB-CD2 4.42Å; V153-Y155 HydrophobicContact CB-CE2 3.64Å; V153-Y155 HydrophobicContact CG1-CD2 4.35Å; V153-Y155 HydrophobicContact CG1-CE1 4.45Å; V153-Y155 HydrophobicContact CG1-CE2 3.72Å; V153-Y155 WeakPolarHBondContact O-CD2 3.48Å; V153-Y155 WeakPolarHBondContact O-CE2 3.15Å |
| 156 | I | 92 | Very high | 90 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 175.9 | 171.5 | 71.8 | 176.5 | 0 | 0 | 0 | 109.4 | T110 L112 C135 F138 P140 P147 G158 W160 F402 | T110-I156 HydrophobicContact CG2-CD1 4.29Å; T110-I156 HydrophobicContact CG2-CG1 3.99Å; T110-I156 PolarHBondContact N-O 3.23Å; T110-I156 PolarHBondContact O-N 3.19Å; L112-I156 HydrophobicContact CD1-CG2 4.04Å; C135-I156 CarbonylContact O-C 3.55Å; C135-I156 VanDerWaalsContact O-C 3.25Å; F138-I156 HydrophobicContact CD1-CB 4.34Å; F138-I156 HydrophobicContact CD1-CG2 4.04Å; F138-I156 HydrophobicContact CE1-CG2 4.48Å; P140-I156 HydrophobicContact CG-CB 4.21Å; P140-I156 HydrophobicContact CG-CD1 4.21Å; P140-I156 HydrophobicContact CG-CG2 3.96Å; P147-I156 HydrophobicContact CB-CG2 4.36Å; I156-G158 PolarHBondContact O-N 2.64Å; I156-W160 HydrophobicContact CD1-CB 4.32Å; I156-W160 HydrophobicContact CD1-CD2 4.34Å; I156-W160 HydrophobicContact CD1-CG 3.97Å; I156-F402 HydrophobicContact CD1-CD1 3.86Å; I156-F402 HydrophobicContact CD1-CE1 3.36Å; I156-F402 HydrophobicContact CD1-CZ 3.95Å |
| 157 | D | 92.4 | Very high | 90.3 | Very high | 10 Ų | 10 | 34.3 Ų | 34.3 | 5% | 0.053 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -46.8 | 133.6 | -176.2 | -172.8 | -51.9 | 0 | 0 | 0 | 112.9 | S38 T110 C135 S136 F138 I139 G159 W160 | S38-D157 WeakPolarHBondContact CB-OD2 3.48Å; S38-D157 PolarHBondContact OG-OD2 2.92Å; T110-D157 WeakPolarHBondContact CB-O 3.48Å; T110-D157 PolarHBondContact OG1-O 2.96Å; C135-D157 PolarHBondContact O-N 2.79Å; S136-D157 VanDerWaalsContact O-CA 3.23Å; S136-D157 WeakPolarHBondContact O-CA 3.3Å; S136-D157 WeakPolarHBondContact O-CB 3.36Å; F138-D157 WeakPolarHBondContact O-CB 3.43Å; F138-D157 PolarHBondContact O-N 2.99Å; I139-D157 HydrophobicContact CG1-CB 4.12Å; D157-G159 PolarHBondContact O-N 3.32Å; D157-G159 PolarHBondContact OD1-N 3.15Å; D157-W160 PolarHBondContact O-N 3.34Å |
| 158 | G | 90.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -58.3 | -31.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S108 T110 S136 I156 W160 S161 D162 | S108-G158 VanDerWaalsContact O-CA 3.29Å; S108-G158 WeakPolarHBondContact O-CA 3.3Å; S108-G158 WeakPolarHBondContact OG-CA 3.46Å; S108-G158 PolarHBondContact OG-O 3.28Å; T110-G158 PolarHBondContact OG1-O 3.34Å; S136-G158 PolarHBondContact O-N 3.14Å; I156-G158 PolarHBondContact O-N 2.64Å; G158-W160 PolarHBondContact O-N 3.3Å; G158-S161 PolarHBondContact O-N 3.44Å; G158-S161 PolarHBondContact O-OG 3.25Å; G158-D162 CarbonylContact C-O 3.52Å; G158-D162 CarbonylContact O-C 3.58Å; G158-D162 PolarHBondContact O-N 2.75Å |
| 159 | G | 88.4 | Confident | 90 | Very high | 12 Ų | 12 | 46.5 Ų | 46.5 | 12% | 0.124 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -63.6 | -11.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | D157 S161 N163 | D157-G159 PolarHBondContact O-N 3.32Å; D157-G159 PolarHBondContact OD1-N 3.15Å; G159-S161 VanDerWaalsContact C-N 3.3Å; G159-N163 WeakPolarHBondContact CA-OD1 3.49Å |
| 160 | W | 85.4 | Confident | 89.6 | Confident | 89 Ų | 89 | 48.7 Ų | 48.7 | 34% | 0.337 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -73.9 | -18.7 | 170.1 | -72.4 | 84.6 | 0 | 0 | 0 | 113.6 | T110 I156 D157 G158 K199 F402 L403 | T110-W160 HydrophobicContact CG2-CB 3.95Å; I156-W160 HydrophobicContact CD1-CB 4.32Å; I156-W160 HydrophobicContact CD1-CD2 4.34Å; I156-W160 HydrophobicContact CD1-CG 3.97Å; D157-W160 PolarHBondContact O-N 3.34Å; G158-W160 PolarHBondContact O-N 3.3Å; W160-K199 VanDerWaalsContact O-CE 3.25Å; W160-K199 WeakPolarHBondContact O-CE 3.45Å; W160-K199 PolarHBondContact O-NZ 2.68Å; W160-F402 HydrophobicContact CE3-CE1 4.27Å; W160-L403 HydrophobicContact CE3-CD2 4.38Å; W160-L403 HydrophobicContact CH2-CD2 3.36Å; W160-L403 HydrophobicContact CZ2-CD2 4.07Å; W160-L403 HydrophobicContact CZ3-CD2 3.55Å |
| 161 | S | 88.8 | Confident | 89.4 | Confident | 24 Ų | 24 | 48.9 Ų | 48.9 | 17% | 0.168 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.6 | -45.4 | -177.9 | 57.1 | 0 | 0 | 0 | 0 | 113.2 | T110 N117 G158 G159 | T110-S161 WeakPolarHBondContact OG1-CB 3.44Å; T110-S161 PolarHBondContact OG1-N 2.75Å; T110-S161 PolarHBondContact OG1-OG 3.13Å; N117-S161 WeakPolarHBondContact CA-OG 3.3Å; N117-S161 WeakPolarHBondContact CB-OG 3.29Å; N117-S161 PolarHBondContact ND2-OG 2.98Å; G158-S161 PolarHBondContact O-N 3.44Å; G158-S161 PolarHBondContact O-OG 3.25Å; G159-S161 VanDerWaalsContact C-N 3.3Å |
| 162 | D | 90.6 | Very high | 89.4 | Confident | 30 Ų | 30 | 45 Ų | 45 | 16% | 0.16 | 24% | 0.24 | C | C | . | . | trans | -147.9 | 111 | 170.2 | -174.9 | -10.2 | 0 | 0 | 0 | 109.6 | S108 G158 L164 P165 N200 | S108-D162 WeakPolarHBondContact CB-O 3.26Å; S108-D162 PolarHBondContact OG-O 2.77Å; G158-D162 CarbonylContact C-O 3.52Å; G158-D162 CarbonylContact O-C 3.58Å; G158-D162 PolarHBondContact O-N 2.75Å; D162-L164 PolarHBondContact OD1-N 2.9Å; D162-P165 WeakPolarHBondContact OD1-CA 3.42Å; D162-P165 VanDerWaalsContact OD2-CA 3.28Å; D162-P165 WeakPolarHBondContact OD2-CA 3.46Å; D162-N200 WeakPolarHBondContact OD1-CB 3.48Å | ||
| 163 | N | 91.6 | Very high | 89.6 | Confident | 11 Ų | 11 | 42.8 Ų | 42.8 | 6% | 0.059 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -88.6 | -15.4 | -175.1 | -172.1 | 71.5 | 0 | 0 | 0 | 113.5 | S6 G7 G159 L198 K199 T201 | S6-N163 CarbonylContact C-O 3.23Å; S6-N163 WeakPolarHBondContact CA-O 3.49Å; G7-N163 WeakPolarHBondContact CA-OD1 3.23Å; G7-N163 PolarHBondContact N-O 3.44Å; G7-N163 PolarHBondContact N-OD1 2.81Å; G7-N163 PolarHBondContact O-ND2 2.9Å; G159-N163 WeakPolarHBondContact CA-OD1 3.49Å; N163-L198 WeakPolarHBondContact CB-O 3.25Å; N163-K199 HydrophobicContact CB-CB 4.39Å; N163-K199 WeakPolarHBondContact CB-O 3.25Å; N163-K199 PolarHBondContact N-O 2.79Å; N163-T201 WeakPolarHBondContact CB-OG1 3.38Å; N163-T201 PolarHBondContact ND2-OG1 3.28Å |
| 164 | L | 91.2 | Very high | 89.7 | Confident | 10 Ų | 10 | 40 Ų | 40 | 5% | 0.052 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -145.7 | 71.4 | -178.7 | 178.5 | 65.9 | 0 | 0 | 0 | 108.8 | S4 D162 V166 T173 A181 N200 T201 | S4-L164 WeakPolarHBondContact OG-CD1 3.4Å; D162-L164 PolarHBondContact OD1-N 2.9Å; L164-V166 PolarHBondContact O-N 3.37Å; L164-V166 VanDerWaalsContact O-N 3.14Å; L164-T173 HydrophobicContact CD2-CG2 4.31Å; L164-T173 HydrophobicContact CG-CG2 4.43Å; L164-A181 HydrophobicContact CD2-CB 4.48Å; L164-N200 WeakPolarHBondContact CB-O 3.43Å; L164-N200 PolarHBondContact O-ND2 3.46Å; L164-T201 VanDerWaalsContact CB-OG1 3.3Å; L164-T201 WeakPolarHBondContact CB-OG1 3.42Å |
| 165 | P | 91.6 | Very high | 89.8 | Confident | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.013 | 19% | 0.186 | C | C | . | . | trans | -65.1 | 113.4 | -172.3 | 24.8 | -36.8 | 0 | 0 | 0 | 112.2 | S4 S35 L119 D162 | S4-P165 VanDerWaalsContact CB-O 3.29Å; S4-P165 WeakPolarHBondContact CB-O 3.34Å; S4-P165 PolarHBondContact OG-O 3.01Å; S35-P165 WeakPolarHBondContact CB-O 3.28Å; S35-P165 PolarHBondContact OG-O 3.46Å; L119-P165 HydrophobicContact CD1-CB 3.77Å; L119-P165 HydrophobicContact CD1-CG 4.1Å; D162-P165 WeakPolarHBondContact OD1-CA 3.42Å; D162-P165 VanDerWaalsContact OD2-CA 3.28Å; D162-P165 WeakPolarHBondContact OD2-CA 3.46Å | ||
| 166 | V | 90.6 | Very high | 89.7 | Confident | 70 Ų | 70 | 37.1 Ų | 37.1 | 42% | 0.424 | 18% | 0.184 | S | C | . | . | trans | -90 | 127.7 | 179.9 | -179.7 | 0 | 0 | 0 | 0 | 109.7 | L164 D168 T173 | L164-V166 PolarHBondContact O-N 3.37Å; L164-V166 VanDerWaalsContact O-N 3.14Å; V166-D168 VanDerWaalsContact CG1-O 3.3Å; V166-D168 WeakPolarHBondContact CG1-O 3.46Å; V166-T173 HydrophobicContact CG2-CG2 4.09Å | ||
| 167 | L | 88.1 | Confident | 89.6 | Confident | 45 Ų | 45 | 37.5 Ų | 37.5 | 24% | 0.236 | 19% | 0.186 | C | C | . | . | trans | -89.6 | -35.2 | -175.6 | -59.5 | 179.8 | 0 | 0 | 0 | 113.1 | K33 F106 L119 | K33-L167 HydrophobicContact CB-CD1 3.55Å; K33-L167 HydrophobicContact CD-CD1 4.28Å; F106-L167 HydrophobicContact CB-CD2 3.97Å; F106-L167 HydrophobicContact CD1-CD2 3.85Å; F106-L167 HydrophobicContact CD2-CD1 3.87Å; F106-L167 HydrophobicContact CD2-CD2 4.32Å; F106-L167 HydrophobicContact CE1-CD2 4.46Å; F106-L167 HydrophobicContact CE2-CD1 4.33Å; F106-L167 HydrophobicContact CG-CD1 4.15Å; F106-L167 HydrophobicContact CG-CD2 3.78Å; L119-L167 HydrophobicContact CD2-CD2 3.89Å | ||
| 168 | D | 86.2 | Confident | 89.3 | Confident | 61 Ų | 61 | 37.2 Ų | 37.2 | 33% | 0.326 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -161 | 177.3 | 179.3 | 53.2 | 45.1 | 0 | 0 | 0 | 110.9 | N2 V166 E170 T171 | N2-D168 PolarHBondContact ND2-OD2 2.91Å; V166-D168 VanDerWaalsContact CG1-O 3.3Å; V166-D168 WeakPolarHBondContact CG1-O 3.46Å; D168-E170 PolarHBondContact O-N 3.37Å; D168-E170 VanDerWaalsContact OD1-C 3.27Å; D168-E170 WeakPolarHBondContact OD1-CA 3.48Å; D168-E170 PolarHBondContact OD1-N 3.5Å; D168-T171 PolarHBondContact N-OG1 2.58Å; D168-T171 VanDerWaalsContact N-OG1 3.12Å; D168-T171 WeakPolarHBondContact O-CB 3.09Å; D168-T171 PolarHBondContact O-N 3.41Å; D168-T171 PolarHBondContact O-OG1 2.96Å; D168-T171 PolarHBondContact OD1-N 3.46Å; D168-T171 PolarHBondContact OD1-OG1 3.04Å |
| 169 | K | 83.4 | Confident | 89 | Confident | 221 Ų | 221 | 37.7 Ų | 37.7 | 96% | 0.961 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -4 | 178.7 | -63.7 | -175.1 | 177.6 | -176.2 | 0 | 114.5 | ||
| 170 | E | 82.3 | Confident | 88.7 | Confident | 150 Ų | 150 | 40.2 Ų | 40.2 | 70% | 0.701 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113.2 | 10.8 | 178.8 | -59.1 | -172 | 173.2 | 0 | 0 | 112.1 | D168 I172 | D168-E170 PolarHBondContact O-N 3.37Å; D168-E170 VanDerWaalsContact OD1-C 3.27Å; D168-E170 WeakPolarHBondContact OD1-CA 3.48Å; D168-E170 PolarHBondContact OD1-N 3.5Å; E170-I172 PolarHBondContact O-N 3.5Å |
| 171 | T | 88 | Confident | 88.8 | Confident | 9 Ų | 9 | 36.6 Ų | 36.6 | 6% | 0.055 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 110 | -180 | -64.8 | 0 | 0 | 0 | 0 | 110 | N2 D168 T173 | N2-T171 HydrophobicContact CB-CG2 4.46Å; N2-T171 WeakPolarHBondContact O-CA 3.39Å; D168-T171 PolarHBondContact N-OG1 2.58Å; D168-T171 VanDerWaalsContact N-OG1 3.12Å; D168-T171 WeakPolarHBondContact O-CB 3.09Å; D168-T171 PolarHBondContact O-N 3.41Å; D168-T171 PolarHBondContact O-OG1 2.96Å; D168-T171 PolarHBondContact OD1-N 3.46Å; D168-T171 PolarHBondContact OD1-OG1 3.04Å; T171-T173 PolarHBondContact O-N 3.05Å |
| 172 | I | 90.7 | Very high | 88.8 | Confident | 13 Ų | 13 | 39.3 Ų | 39.3 | 7% | 0.067 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 121.4 | 178.8 | -59.8 | 164.1 | 0 | 0 | 0 | 109.3 | M1 N2 F3 S4 E170 D182 I183 F239 | M1-I172 HydrophobicContact SD-CD1 4.31Å; N2-I172 PolarHBondContact O-N 3.44Å; F3-I172 CarbonylContact C-O 3.56Å; F3-I172 VanDerWaalsContact CA-O 3.28Å; F3-I172 WeakPolarHBondContact CA-O 3.45Å; F3-I172 HydrophobicContact CD1-CB 3.71Å; F3-I172 HydrophobicContact CD1-CG2 3.9Å; F3-I172 HydrophobicContact CE1-CB 3.77Å; F3-I172 HydrophobicContact CE1-CD1 3.96Å; F3-I172 HydrophobicContact CE1-CG1 4.48Å; F3-I172 HydrophobicContact CE1-CG2 3.66Å; F3-I172 HydrophobicContact CE2-CD1 4.31Å; F3-I172 HydrophobicContact CG-CB 4.36Å; F3-I172 HydrophobicContact CZ-CB 4.46Å; F3-I172 HydrophobicContact CZ-CD1 3.82Å; S4-I172 PolarHBondContact N-O 3.19Å; E170-I172 PolarHBondContact O-N 3.5Å; I172-D182 HydrophobicContact CG2-CB 3.99Å; I172-I183 HydrophobicContact CG2-CD1 3.99Å; I172-I183 HydrophobicContact CG2-CG1 4.18Å; I172-F239 HydrophobicContact CD1-CE1 4Å; I172-F239 HydrophobicContact CD1-CZ 4.06Å; I172-F239 HydrophobicContact CG1-CE1 4.43Å; I172-F239 HydrophobicContact CG1-CZ 4.04Å; I172-F239 HydrophobicContact CG2-CE1 3.88Å; I172-F239 HydrophobicContact CG2-CE2 4.28Å; I172-F239 HydrophobicContact CG2-CZ 3.67Å |
| 173 | T | 92.8 | Very high | 88.8 | Confident | 18 Ų | 18 | 38 Ų | 38 | 11% | 0.11 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 138.3 | -175.6 | 58.5 | 0 | 0 | 0 | 0 | 112.8 | L164 V166 T171 A181 D182 I183 | L164-T173 HydrophobicContact CD2-CG2 4.31Å; L164-T173 HydrophobicContact CG-CG2 4.43Å; V166-T173 HydrophobicContact CG2-CG2 4.09Å; T171-T173 PolarHBondContact O-N 3.05Å; T173-A181 VanDerWaalsContact OG1-CA 3.28Å; T173-A181 WeakPolarHBondContact OG1-CA 3.39Å; T173-D182 WeakPolarHBondContact CB-OD2 3.5Å; T173-D182 PolarHBondContact N-OD2 3.48Å; T173-D182 WeakPolarHBondContact O-CB 3.49Å; T173-D182 PolarHBondContact O-N 3.42Å; T173-D182 PolarHBondContact OG1-N 3.15Å; T173-D182 PolarHBondContact OG1-OD2 2.81Å; T173-I183 PolarHBondContact O-N 3.25Å |
| 174 | V | 94.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 119.3 | -175.7 | -171.4 | 0 | 0 | 0 | 0 | 110.1 | F3 S4 F5 S6 Y14 V18 I183 | F3-V174 HydrophobicContact CD1-CG2 4.15Å; S4-V174 WeakPolarHBondContact O-CB 3.33Å; S4-V174 PolarHBondContact O-N 2.71Å; F5-V174 HydrophobicContact CD1-CB 3.92Å; F5-V174 HydrophobicContact CD1-CG1 3.91Å; F5-V174 HydrophobicContact CD1-CG2 4.24Å; F5-V174 HydrophobicContact CD2-CG2 4.42Å; F5-V174 HydrophobicContact CE1-CB 4.09Å; F5-V174 HydrophobicContact CE1-CG1 3.88Å; F5-V174 HydrophobicContact CE1-CG2 4.01Å; F5-V174 HydrophobicContact CE2-CG2 4.18Å; F5-V174 HydrophobicContact CG-CB 4.23Å; F5-V174 HydrophobicContact CG-CG2 4.44Å; F5-V174 HydrophobicContact CZ-CG2 3.97Å; S6-V174 PolarHBondContact N-O 3.17Å; Y14-V174 HydrophobicContact CE1-CG1 4.23Å; V18-V174 HydrophobicContact CB-CG1 4.23Å; V18-V174 HydrophobicContact CG1-CG1 3.86Å; V18-V174 HydrophobicContact CG1-CG2 4.25Å; V18-V174 HydrophobicContact CG2-CG1 3.76Å; V174-I183 HydrophobicContact CG1-CB 4.3Å; V174-I183 HydrophobicContact CG1-CG2 4.32Å; V174-I183 HydrophobicContact CG2-CB 4.26Å; V174-I183 HydrophobicContact CG2-CD1 4.26Å |
| 175 | S | 93.8 | Very high | 88.7 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.007 | 20% | 0.195 | C | C | . | . | trans | -133.9 | 133.9 | 179.1 | 172.5 | 0 | 0 | 0 | 0 | 110.4 | Y14 F177 I183 C184 P185 | Y14-S175 WeakPolarHBondContact CE1-O 3.42Å; S175-F177 PolarHBondContact O-N 3.43Å; S175-F177 PolarHBondContact OG-N 2.97Å; S175-F177 PolarHBondContact OG-O 3.47Å; S175-I183 PolarHBondContact N-O 3.48Å; S175-C184 VanDerWaalsContact O-CA 3.27Å; S175-C184 WeakPolarHBondContact O-CA 3.47Å; S175-C184 VanDerWaalsContact O-CB 3.32Å; S175-C184 WeakPolarHBondContact O-CB 3.43Å; S175-P185 WeakPolarHBondContact O-CD 3.34Å | ||
| 176 | P | 91.9 | Very high | 88.1 | Confident | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.019 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -78.3 | -2.3 | 170.8 | 34.8 | -32 | 0 | 0 | 0 | 112.4 | S6 C8 L11 Y14 P185 R212 | S6-P176 WeakPolarHBondContact OG-CD 3.24Å; C8-P176 HydrophobicContact CB-CG 3.55Å; L11-P176 HydrophobicContact CB-CB 4.15Å; L11-P176 HydrophobicContact CB-CG 4.1Å; L11-P176 HydrophobicContact CD1-CB 4.22Å; L11-P176 HydrophobicContact CD1-CG 4.32Å; Y14-P176 HydrophobicContact CD1-CB 3.63Å; Y14-P176 HydrophobicContact CD2-CB 4.32Å; Y14-P176 HydrophobicContact CE1-CB 4.23Å; Y14-P176 HydrophobicContact CG-CB 3.69Å; P176-P185 WeakPolarHBondContact O-CG 3.47Å; P176-R212 VanDerWaalsContact O-CD 3.25Å; P176-R212 WeakPolarHBondContact O-CD 3.27Å; P176-R212 PolarHBondContact O-NE 2.9Å |
| 177 | F | 89.8 | Confident | 87.2 | Confident | 8 Ų | 8 | 39 Ų | 39 | 4% | 0.035 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -103.9 | 135.5 | 175.1 | -49.2 | -78.9 | 0 | 0 | 0 | 110 | L11 S175 G179 C184 I203 R212 I213 A216 | L11-F177 HydrophobicContact CD1-CE1 3.93Å; L11-F177 HydrophobicContact CD1-CZ 4.24Å; S175-F177 PolarHBondContact O-N 3.43Å; S175-F177 PolarHBondContact OG-N 2.97Å; S175-F177 PolarHBondContact OG-O 3.47Å; F177-G179 PolarHBondContact O-N 3.04Å; F177-C184 WeakPolarHBondContact O-CB 3.34Å; F177-I203 HydrophobicContact CB-CD1 4.06Å; F177-I203 HydrophobicContact CB-CG1 3.93Å; F177-I203 HydrophobicContact CB-CG2 3.99Å; F177-I203 HydrophobicContact CD1-CD1 4.42Å; F177-I203 HydrophobicContact CD2-CD1 3.87Å; F177-I203 HydrophobicContact CD2-CG1 4.47Å; F177-I203 HydrophobicContact CE2-CD1 4.42Å; F177-I203 HydrophobicContact CG-CD1 3.87Å; F177-I203 HydrophobicContact CG-CG1 4.3Å; F177-R212 HydrophobicContact CD1-CB 3.73Å; F177-R212 HydrophobicContact CE1-CB 3.88Å; F177-I213 HydrophobicContact CD1-CG1 4.17Å; F177-I213 HydrophobicContact CE1-CG1 3.7Å; F177-I213 HydrophobicContact CZ-CG1 4.46Å; F177-A216 HydrophobicContact CZ-CB 4.35Å |
| 178 | S | 86.8 | Confident | 85.6 | Confident | 5 Ų | 5 | 41.6 Ų | 41.6 | 4% | 0.035 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -65.1 | 130.1 | 177.2 | -165.7 | 0 | 0 | 0 | 0 | 110.5 | P185 D187 R204 N209 | S178-P185 WeakPolarHBondContact CB-O 3.16Å; S178-P185 PolarHBondContact OG-O 2.95Å; S178-D187 WeakPolarHBondContact CB-OD2 3.42Å; S178-R204 PolarHBondContact O-N 2.94Å; S178-N209 PolarHBondContact N-ND2 3.14Å; S178-N209 PolarHBondContact N-OD1 3.27Å; S178-N209 PolarHBondContact O-ND2 2.89Å |
| 179 | G | 82.6 | Confident | 83.9 | Confident | 9 Ų | 9 | 44.6 Ų | 44.6 | 9% | 0.093 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -164.4 | -137.1 | -165.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | F177 T202 R204 | F177-G179 PolarHBondContact O-N 3.04Å; G179-T202 WeakPolarHBondContact CA-O 3.2Å; G179-R204 PolarHBondContact O-NH1 3.12Å; G179-R204 PolarHBondContact O-NH2 3.44Å |
| 180 | E | 82 | Confident | 81.8 | Confident | 65 Ų | 65 | 38.5 Ų | 38.5 | 30% | 0.304 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -110.5 | 3.2 | 170.6 | -54.6 | 169.1 | 149.6 | 0 | 0 | 112.1 | L195 T202 Q421 | E180-L195 HydrophobicContact CG-CD2 3.58Å; E180-T202 WeakPolarHBondContact CB-OG1 3.41Å; E180-T202 WeakPolarHBondContact CG-OG1 3.37Å; E180-T202 VanDerWaalsContact OE2-CB 3.23Å; E180-T202 WeakPolarHBondContact OE2-CB 3.33Å; E180-T202 VanDerWaalsContact OE2-CG2 3.26Å; E180-T202 WeakPolarHBondContact OE2-CG2 3.27Å; E180-T202 PolarHBondContact OE2-OG1 2.87Å; E180-Q421 PolarHBondContact OE1-OE1 3.33Å |
| 181 | A | 87.3 | Confident | 79.9 | Confident | 14 Ų | 14 | 34 Ų | 34 | 12% | 0.116 | 23% | 0.225 | C | C | . | . | trans | -73.4 | 140.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L164 T173 I183 C184 | L164-A181 HydrophobicContact CD2-CB 4.48Å; T173-A181 VanDerWaalsContact OG1-CA 3.28Å; T173-A181 WeakPolarHBondContact OG1-CA 3.39Å; A181-I183 VanDerWaalsContact C-N 3.3Å; A181-I183 PolarHBondContact O-N 3.23Å; A181-C184 HydrophobicContact CB-CB 4.35Å; A181-C184 PolarHBondContact O-SG 3.5Å | ||
| 182 | D | 88.9 | Confident | 78 | Confident | 80 Ų | 80 | 33.8 Ų | 33.8 | 43% | 0.428 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -53.9 | -42.8 | -173.5 | -60.8 | -84.4 | 0 | 0 | 0 | 113.3 | I172 T173 F239 | I172-D182 HydrophobicContact CG2-CB 3.99Å; T173-D182 WeakPolarHBondContact CB-OD2 3.5Å; T173-D182 PolarHBondContact N-OD2 3.48Å; T173-D182 WeakPolarHBondContact O-CB 3.49Å; T173-D182 PolarHBondContact O-N 3.42Å; T173-D182 PolarHBondContact OG1-N 3.15Å; T173-D182 PolarHBondContact OG1-OD2 2.81Å; D182-F239 HydrophobicContact CB-CD2 4.06Å; D182-F239 HydrophobicContact CB-CE2 3.66Å; D182-F239 HydrophobicContact CB-CZ 4.41Å; D182-F239 WeakPolarHBondContact O-CD2 3.29Å |
| 183 | I | 90.4 | Very high | 76.1 | Confident | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -116.1 | 90.1 | 176.4 | -54.1 | -178.9 | 0 | 0 | 0 | 108.6 | F3 Y14 V18 I172 T173 V174 S175 A181 D235 T236 F239 | F3-I183 HydrophobicContact CE1-CD1 4.39Å; Y14-I183 PolarHBondContact OH-O 2.7Å; V18-I183 HydrophobicContact CG1-CD1 4.42Å; V18-I183 HydrophobicContact CG1-CG2 4.45Å; V18-I183 HydrophobicContact CG2-CG2 4.06Å; I172-I183 HydrophobicContact CG2-CD1 3.99Å; I172-I183 HydrophobicContact CG2-CG1 4.18Å; T173-I183 PolarHBondContact O-N 3.25Å; V174-I183 HydrophobicContact CG1-CB 4.3Å; V174-I183 HydrophobicContact CG1-CG2 4.32Å; V174-I183 HydrophobicContact CG2-CB 4.26Å; V174-I183 HydrophobicContact CG2-CD1 4.26Å; S175-I183 PolarHBondContact N-O 3.48Å; A181-I183 VanDerWaalsContact C-N 3.3Å; A181-I183 PolarHBondContact O-N 3.23Å; I183-D235 HydrophobicContact CG2-CB 4.49Å; I183-T236 HydrophobicContact CD1-CG2 4.19Å; I183-T236 WeakPolarHBondContact CG2-OG1 3.3Å; I183-F239 HydrophobicContact CD1-CB 4.35Å; I183-F239 HydrophobicContact CD1-CD1 3.81Å; I183-F239 HydrophobicContact CD1-CE1 4.35Å; I183-F239 HydrophobicContact CD1-CG 4.06Å; I183-F239 HydrophobicContact CG1-CB 3.87Å; I183-F239 HydrophobicContact CG1-CD1 3.94Å; I183-F239 HydrophobicContact CG1-CD2 4.02Å; I183-F239 HydrophobicContact CG1-CG 3.66Å |
| 184 | C | 91.3 | Very high | 74.3 | Confident | 22 Ų | 22 | 41 Ų | 41 | 15% | 0.149 | 26% | 0.257 | C | S | . | . | trans | -140.4 | 163.4 | 172.3 | 72.1 | 0 | 0 | 0 | 0 | 113.2 | Y14 S175 F177 A181 A186 | Y14-C184 WeakPolarHBondContact OH-CA 3.34Å; S175-C184 VanDerWaalsContact O-CA 3.27Å; S175-C184 WeakPolarHBondContact O-CA 3.47Å; S175-C184 VanDerWaalsContact O-CB 3.32Å; S175-C184 WeakPolarHBondContact O-CB 3.43Å; F177-C184 WeakPolarHBondContact O-CB 3.34Å; A181-C184 HydrophobicContact CB-CB 4.35Å; A181-C184 PolarHBondContact O-SG 3.5Å; C184-A186 PolarHBondContact O-N 3.15Å | ||
| 185 | P | 89.2 | Confident | 72.9 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -61.1 | 131.2 | 177.3 | -27.2 | 36.9 | 0 | 0 | 0 | 113.6 | Y14 S175 P176 S178 D187 Q231 D235 | Y14-P185 HydrophobicContact CE2-CG 3.77Å; S175-P185 WeakPolarHBondContact O-CD 3.34Å; P176-P185 WeakPolarHBondContact O-CG 3.47Å; S178-P185 WeakPolarHBondContact CB-O 3.16Å; S178-P185 PolarHBondContact OG-O 2.95Å; P185-D187 PolarHBondContact O-N 3.16Å; P185-Q231 HydrophobicContact CG-CG 4.49Å; P185-D235 WeakPolarHBondContact CA-OD2 3.42Å | ||
| 186 | A | 79.9 | Confident | 71.7 | Confident | 68 Ų | 68 | 45 Ų | 45 | 56% | 0.562 | 28% | 0.275 | S | S | * | . | trans | -79.1 | 95.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | C184 A188 | C184-A186 PolarHBondContact O-N 3.15Å; A186-A188 PolarHBondContact O-N 2.97Å | ||
| 187 | D | 71.2 | Confident | 70.7 | Confident | 26 Ų | 26 | 49.7 Ų | 49.7 | 14% | 0.139 | 30% | 0.3 | C | S | . | . | trans | -77.1 | 86.4 | 173 | -78.8 | -9.7 | 0 | 0 | 0 | 110.7 | S178 P185 E189 T206 K208 R212 | S178-D187 WeakPolarHBondContact CB-OD2 3.42Å; P185-D187 PolarHBondContact O-N 3.16Å; D187-E189 PolarHBondContact O-N 3.09Å; D187-T206 HydrophobicContact CB-CG2 4.34Å; D187-T206 PolarHBondContact OD2-OG1 3.5Å; D187-K208 HydrophobicContact CB-CD 4.38Å; D187-K208 VanDerWaalsContact OD1-CD 3.27Å; D187-K208 WeakPolarHBondContact OD1-CD 3.42Å; D187-K208 WeakPolarHBondContact OD2-CB 3.35Å; D187-R212 IonicContact OD1-CZ 3.89Å; D187-R212 VanDerWaalsContact OD1-CZ 3.29Å; D187-R212 IonicContact OD1-NH1 3.27Å; D187-R212 PolarHBondContact OD1-NH1 3.28Å; D187-R212 IonicContact OD1-NH2 3.15Å; D187-R212 PolarHBondContact OD1-NH2 2.98Å; D187-R212 IonicContact OD2-CZ 2.71Å; D187-R212 IonicContact OD2-NH1 2.69Å; D187-R212 PolarHBondContact OD2-NH1 3.35Å | ||
| 188 | A | 54.1 | Low | 69.8 | Low | 99 Ų | 99 | 53 Ų | 53 | 82% | 0.818 | 32% | 0.318 | S | S | * | . | trans | -71.3 | 17 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | A186 | A186-A188 PolarHBondContact O-N 2.97Š| ||
| 189 | E | 50.4 | Low | 69.3 | Low | 124 Ų | 124 | 56.2 Ų | 56.2 | 58% | 0.579 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -131 | 130.5 | -176.3 | -73.8 | 179.7 | 130.1 | 0 | 0 | 111.8 | D187 K208 | D187-E189 PolarHBondContact O-N 3.09Å; E189-K208 WeakPolarHBondContact OE2-CE 3.34Å; E189-K208 IonicContact OE2-NZ 2.68Å; E189-K208 PolarHBondContact OE2-NZ 3.06Å |
| 190 | S | 40.5 | Very low | 69.1 | Low | 93 Ų | 93 | 59.6 Ų | 59.6 | 65% | 0.65 | 35% | 0.347 | S | S | * | . | trans | 71.4 | 127.1 | 176.1 | -47.2 | 0 | 0 | 0 | 0 | 115.7 | S192 | S190-S192 PolarHBondContact O-N 3.3Š| ||
| 191 | G | 41 | Very low | 69 | Low | 54 Ų | 54 | 56.6 Ų | 56.6 | 56% | 0.557 | 33% | 0.333 | S | S | * | . | trans | -74.7 | 52.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114 | F193 | G191-F193 WeakPolarHBondContact O-CD2 3.39Å; G191-F193 VanDerWaalsContact O-CE2 3.3Å; G191-F193 WeakPolarHBondContact O-CE2 3.48Å; G191-F193 PolarHBondContact O-N 3.3Å | ||
| 192 | S | 48.7 | Very low | 68.7 | Low | 6 Ų | 6 | 57.8 Ų | 57.8 | 4% | 0.042 | 34% | 0.339 | C | S | . | . | trans | -71.6 | 94.4 | 175.6 | 178.5 | 0 | 0 | 0 | 0 | 110 | S190 L194 R204 F205 | S190-S192 PolarHBondContact O-N 3.3Å; S192-L194 PolarHBondContact O-N 3.2Å; S192-R204 WeakPolarHBondContact O-CD 3.32Å; S192-R204 WeakPolarHBondContact O-CG 3.46Å; S192-F205 WeakPolarHBondContact CB-O 3.31Å; S192-F205 PolarHBondContact OG-O 3.45Å | ||
| 193 | F | 51.4 | Low | 68.2 | Low | 118 Ų | 118 | 54 Ų | 54 | 52% | 0.518 | 32% | 0.319 | S | S | . | . | trans | -74 | 2.6 | 170.2 | -58.4 | -77.1 | 0 | 0 | 0 | 112.8 | G191 | G191-F193 WeakPolarHBondContact O-CD2 3.39Å; G191-F193 VanDerWaalsContact O-CE2 3.3Å; G191-F193 WeakPolarHBondContact O-CE2 3.48Å; G191-F193 PolarHBondContact O-N 3.3Å | ||
| 194 | L | 55.3 | Low | 67.6 | Low | 64 Ų | 64 | 56.7 Ų | 56.7 | 34% | 0.335 | 33% | 0.329 | S | S | . | . | trans | -91.4 | 105.4 | -177.1 | -60.2 | 178.6 | 0 | 0 | 0 | 109.9 | S192 F205 L418 | S192-L194 PolarHBondContact O-N 3.2Å; L194-F205 HydrophobicContact CB-CB 4.02Å; L194-F205 WeakPolarHBondContact O-CB 3.21Å; L194-F205 PolarHBondContact O-N 3.31Å; L194-L418 HydrophobicContact CD2-CD2 3.71Å | ||
| 195 | L | 64.2 | Low | 66.5 | Low | 17 Ų | 17 | 58.3 Ų | 58.3 | 9% | 0.089 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 146.5 | 166.2 | -63.6 | 96.6 | 0 | 0 | 0 | 110.7 | E180 I203 M419 | E180-L195 HydrophobicContact CG-CD2 3.58Å; L195-I203 WeakPolarHBondContact CA-O 3.41Å; L195-M419 WeakPolarHBondContact CD1-O 3.41Å |
| 196 | F | 68.4 | Low | 65.6 | Low | 68 Ų | 68 | 58.7 Ų | 58.7 | 30% | 0.298 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 133.2 | 165.8 | 63.5 | -86.3 | 0 | 0 | 0 | 109.8 | L198 I203 F205 I213 | F196-L198 HydrophobicContact CE2-CB 4.49Å; F196-L198 PolarHBondContact O-N 3.23Å; F196-I203 HydrophobicContact CD1-CB 4.4Å; F196-I203 WeakPolarHBondContact CD1-O 3.44Å; F196-I203 HydrophobicContact CD2-CB 4.29Å; F196-I203 HydrophobicContact CE1-CB 3.91Å; F196-I203 HydrophobicContact CE1-CG2 3.68Å; F196-I203 WeakPolarHBondContact CE1-O 3.28Å; F196-I203 HydrophobicContact CE2-CB 3.79Å; F196-I203 HydrophobicContact CE2-CD1 4.06Å; F196-I203 HydrophobicContact CE2-CG1 4.41Å; F196-I203 HydrophobicContact CE2-CG2 4.11Å; F196-I203 HydrophobicContact CZ-CB 3.58Å; F196-I203 HydrophobicContact CZ-CD1 4.31Å; F196-I203 HydrophobicContact CZ-CG2 3.4Å; F196-I203 VanDerWaalsContact CZ-CG2 3.4Å; F196-I203 PolarHBondContact N-O 2.72Å; F196-I203 PolarHBondContact O-N 2.84Å; F196-F205 HydrophobicContact CD1-CB 4.33Å; F196-F205 HydrophobicContact CD1-CD2 4.21Å; F196-F205 HydrophobicContact CE1-CB 4.45Å; F196-F205 HydrophobicContact CE1-CD2 4.03Å; F196-I213 HydrophobicContact CE2-CD1 4.44Å; F196-I213 HydrophobicContact CZ-CD1 3.88Å |
| 197 | D | 71.5 | Confident | 65.1 | Low | 102 Ų | 102 | 57 Ų | 57 | 55% | 0.545 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 113.1 | 174.3 | 175 | 30.2 | 0 | 0 | 0 | 110.6 | K199 N200 T201 T202 | D197-K199 PolarHBondContact O-N 3.43Å; D197-K199 PolarHBondContact OD1-N 2.79Å; D197-N200 VanDerWaalsContact OD1-CA 3.3Å; D197-N200 WeakPolarHBondContact OD1-CA 3.49Å; D197-N200 PolarHBondContact OD1-N 3.49Å; D197-N200 PolarHBondContact OD2-N 2.88Å; D197-T201 PolarHBondContact OD1-N 2.94Å; D197-T202 HydrophobicContact CB-CG2 4.28Å |
| 198 | L | 70.3 | Confident | 65.6 | Low | 77 Ų | 77 | 58.9 Ų | 58.9 | 40% | 0.403 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -94.9 | 73 | 168.3 | -170.9 | 69.4 | 0 | 0 | 0 | 109.6 | N163 F196 T201 I203 | N163-L198 WeakPolarHBondContact CB-O 3.25Å; F196-L198 HydrophobicContact CE2-CB 4.49Å; F196-L198 PolarHBondContact O-N 3.23Å; L198-T201 PolarHBondContact N-O 3.24Å; L198-T201 WeakPolarHBondContact O-CB 3.28Å; L198-I203 HydrophobicContact CB-CD1 3.99Å; L198-I203 HydrophobicContact CD2-CD1 3.93Å |
| 199 | K | 77.4 | Confident | 67 | Low | 72 Ų | 72 | 54.2 Ų | 54.2 | 31% | 0.313 | 29% | 0.288 | S | S | . | . | S | Bend | trans | 56.3 | 74.4 | 175.5 | -63.7 | -72.2 | -176.8 | 126.6 | 0 | 112.5 | W160 N163 D197 T201 | W160-K199 VanDerWaalsContact O-CE 3.25Å; W160-K199 WeakPolarHBondContact O-CE 3.45Å; W160-K199 PolarHBondContact O-NZ 2.68Å; N163-K199 HydrophobicContact CB-CB 4.39Å; N163-K199 WeakPolarHBondContact CB-O 3.25Å; N163-K199 PolarHBondContact N-O 2.79Å; D197-K199 PolarHBondContact O-N 3.43Å; D197-K199 PolarHBondContact OD1-N 2.79Å; K199-T201 PolarHBondContact O-N 3.31Å |
| 200 | N | 78 | Confident | 68.1 | Low | 80 Ų | 80 | 50.7 Ų | 50.7 | 43% | 0.428 | 28% | 0.275 | S | S | . | . | S | Bend | trans | 64.2 | 22.2 | -174.9 | -159.1 | 43.6 | 0 | 0 | 0 | 113.8 | D162 L164 D197 | D162-N200 WeakPolarHBondContact OD1-CB 3.48Å; L164-N200 WeakPolarHBondContact CB-O 3.43Å; L164-N200 PolarHBondContact O-ND2 3.46Å; D197-N200 VanDerWaalsContact OD1-CA 3.3Å; D197-N200 WeakPolarHBondContact OD1-CA 3.49Å; D197-N200 PolarHBondContact OD1-N 3.49Å; D197-N200 PolarHBondContact OD2-N 2.88Å |
| 201 | T | 79.1 | Confident | 70.1 | Confident | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.018 | 26% | 0.264 | C | S | . | . | trans | -129.9 | 99.2 | 174.1 | -55 | 0 | 0 | 0 | 0 | 108.5 | N163 L164 D197 L198 K199 I203 | N163-T201 WeakPolarHBondContact CB-OG1 3.38Å; N163-T201 PolarHBondContact ND2-OG1 3.28Å; L164-T201 VanDerWaalsContact CB-OG1 3.3Å; L164-T201 WeakPolarHBondContact CB-OG1 3.42Å; D197-T201 PolarHBondContact OD1-N 2.94Å; L198-T201 PolarHBondContact N-O 3.24Å; L198-T201 WeakPolarHBondContact O-CB 3.28Å; K199-T201 PolarHBondContact O-N 3.31Å; T201-I203 HydrophobicContact CG2-CD1 4.24Å; T201-I203 HydrophobicContact CG2-CG1 3.94Å; T201-I203 PolarHBondContact O-N 2.69Å | ||
| 202 | T | 81.4 | Confident | 72.2 | Confident | 39 Ų | 39 | 49.6 Ų | 49.6 | 24% | 0.239 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 111.8 | 178.6 | 47.2 | 0 | 0 | 0 | 0 | 110.4 | G179 E180 D197 | G179-T202 WeakPolarHBondContact CA-O 3.2Å; E180-T202 WeakPolarHBondContact CB-OG1 3.41Å; E180-T202 WeakPolarHBondContact CG-OG1 3.37Å; E180-T202 VanDerWaalsContact OE2-CB 3.23Å; E180-T202 WeakPolarHBondContact OE2-CB 3.33Å; E180-T202 VanDerWaalsContact OE2-CG2 3.26Å; E180-T202 WeakPolarHBondContact OE2-CG2 3.27Å; E180-T202 PolarHBondContact OE2-OG1 2.87Å; D197-T202 HydrophobicContact CB-CG2 4.28Å |
| 203 | I | 78.6 | Confident | 73.7 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 127.6 | -177.7 | -59.5 | 176.4 | 0 | 0 | 0 | 108.3 | F177 L195 F196 L198 T201 N209 | F177-I203 HydrophobicContact CB-CD1 4.06Å; F177-I203 HydrophobicContact CB-CG1 3.93Å; F177-I203 HydrophobicContact CB-CG2 3.99Å; F177-I203 HydrophobicContact CD1-CD1 4.42Å; F177-I203 HydrophobicContact CD2-CD1 3.87Å; F177-I203 HydrophobicContact CD2-CG1 4.47Å; F177-I203 HydrophobicContact CE2-CD1 4.42Å; F177-I203 HydrophobicContact CG-CD1 3.87Å; F177-I203 HydrophobicContact CG-CG1 4.3Å; L195-I203 WeakPolarHBondContact CA-O 3.41Å; F196-I203 HydrophobicContact CD1-CB 4.4Å; F196-I203 WeakPolarHBondContact CD1-O 3.44Å; F196-I203 HydrophobicContact CD2-CB 4.29Å; F196-I203 HydrophobicContact CE1-CB 3.91Å; F196-I203 HydrophobicContact CE1-CG2 3.68Å; F196-I203 WeakPolarHBondContact CE1-O 3.28Å; F196-I203 HydrophobicContact CE2-CB 3.79Å; F196-I203 HydrophobicContact CE2-CD1 4.06Å; F196-I203 HydrophobicContact CE2-CG1 4.41Å; F196-I203 HydrophobicContact CE2-CG2 4.11Å; F196-I203 HydrophobicContact CZ-CB 3.58Å; F196-I203 HydrophobicContact CZ-CD1 4.31Å; F196-I203 HydrophobicContact CZ-CG2 3.4Å; F196-I203 VanDerWaalsContact CZ-CG2 3.4Å; F196-I203 PolarHBondContact N-O 2.72Å; F196-I203 PolarHBondContact O-N 2.84Å; L198-I203 HydrophobicContact CB-CD1 3.99Å; L198-I203 HydrophobicContact CD2-CD1 3.93Å; T201-I203 HydrophobicContact CG2-CD1 4.24Å; T201-I203 HydrophobicContact CG2-CG1 3.94Å; T201-I203 PolarHBondContact O-N 2.69Å; I203-N209 HydrophobicContact CG2-CB 3.92Å; I203-N209 WeakPolarHBondContact CG2-ND2 3.07Å |
| 204 | R | 76.8 | Confident | 74.9 | Confident | 59 Ų | 59 | 48 Ų | 48 | 22% | 0.223 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 137.3 | 176.1 | -166.3 | 169.3 | -75.9 | 96.1 | 6.3 | 110.2 | S178 G179 S192 T206 N209 | S178-R204 PolarHBondContact O-N 2.94Å; G179-R204 PolarHBondContact O-NH1 3.12Å; G179-R204 PolarHBondContact O-NH2 3.44Å; S192-R204 WeakPolarHBondContact O-CD 3.32Å; S192-R204 WeakPolarHBondContact O-CG 3.46Å; R204-T206 VanDerWaalsContact C-N 3.27Å; R204-T206 HydrophobicContact CB-CG2 4.16Å; R204-T206 HydrophobicContact CG-CG2 3.87Å; R204-T206 PolarHBondContact O-N 3.22Å; R204-N209 WeakPolarHBondContact O-CB 3.44Å; R204-N209 PolarHBondContact O-ND2 3.28Å |
| 205 | F | 68.4 | Low | 76.3 | Confident | 56 Ų | 56 | 45.5 Ų | 45.5 | 25% | 0.246 | 23% | 0.231 | C | C | . | . | trans | -79.1 | 76.4 | -178.4 | -167.5 | -110.6 | 0 | 0 | 0 | 110.4 | S192 L194 F196 V210 L516 L519 | S192-F205 WeakPolarHBondContact CB-O 3.31Å; S192-F205 PolarHBondContact OG-O 3.45Å; L194-F205 HydrophobicContact CB-CB 4.02Å; L194-F205 WeakPolarHBondContact O-CB 3.21Å; L194-F205 PolarHBondContact O-N 3.31Å; F196-F205 HydrophobicContact CD1-CB 4.33Å; F196-F205 HydrophobicContact CD1-CD2 4.21Å; F196-F205 HydrophobicContact CE1-CB 4.45Å; F196-F205 HydrophobicContact CE1-CD2 4.03Å; F205-V210 HydrophobicContact CE2-CG2 4.35Å; F205-L516 HydrophobicContact CD1-CD1 3.94Å; F205-L516 HydrophobicContact CD1-CD2 4.41Å; F205-L516 HydrophobicContact CD1-CG 3.87Å; F205-L516 HydrophobicContact CE1-CD1 3.37Å; F205-L516 HydrophobicContact CE1-CG 3.64Å; F205-L516 HydrophobicContact CZ-CD1 3.8Å; F205-L516 WeakPolarHBondContact O-CD2 3.47Å; F205-L519 HydrophobicContact CE1-CD1 4.13Å; F205-L519 HydrophobicContact CZ-CD1 4.27Å | ||
| 206 | T | 70.4 | Confident | 77.4 | Confident | 7 Ų | 7 | 45.1 Ų | 45.1 | 4% | 0.043 | 23% | 0.231 | C | C | . | . | trans | -110 | 151.6 | 176.5 | 73.7 | 0 | 0 | 0 | 0 | 110.3 | D187 R204 K208 N209 V210 | D187-T206 HydrophobicContact CB-CG2 4.34Å; D187-T206 PolarHBondContact OD2-OG1 3.5Å; R204-T206 VanDerWaalsContact C-N 3.27Å; R204-T206 HydrophobicContact CB-CG2 4.16Å; R204-T206 HydrophobicContact CG-CG2 3.87Å; R204-T206 PolarHBondContact O-N 3.22Å; T206-K208 PolarHBondContact O-N 2.92Å; T206-N209 PolarHBondContact O-N 2.77Å; T206-N209 WeakPolarHBondContact OG1-CB 3.33Å; T206-N209 PolarHBondContact OG1-N 2.85Å; T206-V210 PolarHBondContact O-N 3.28Å | ||
| 207 | S | 70 | Confident | 78 | Confident | 33 Ų | 33 | 45.1 Ų | 45.1 | 23% | 0.231 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.8 | -31.5 | 172.5 | 56.5 | 0 | 0 | 0 | 0 | 112.3 | Y211 | S207-Y211 WeakPolarHBondContact O-CB 3.26Å; S207-Y211 PolarHBondContact O-N 3.11Å |
| 208 | K | 81.6 | Confident | 78.5 | Confident | 65 Ų | 65 | 45.3 Ų | 45.3 | 28% | 0.283 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -68 | -39 | 173.3 | -66.9 | 173.4 | -177.4 | 169.8 | 0 | 112.6 | D187 E189 T206 Y211 R212 | D187-K208 HydrophobicContact CB-CD 4.38Å; D187-K208 VanDerWaalsContact OD1-CD 3.27Å; D187-K208 WeakPolarHBondContact OD1-CD 3.42Å; D187-K208 WeakPolarHBondContact OD2-CB 3.35Å; E189-K208 WeakPolarHBondContact OE2-CE 3.34Å; E189-K208 IonicContact OE2-NZ 2.68Å; E189-K208 PolarHBondContact OE2-NZ 3.06Å; T206-K208 PolarHBondContact O-N 2.92Å; K208-Y211 PolarHBondContact O-N 3.47Å; K208-R212 WeakPolarHBondContact O-CB 3.46Å; K208-R212 VanDerWaalsContact O-CG 3.25Å; K208-R212 WeakPolarHBondContact O-CG 3.18Å; K208-R212 PolarHBondContact O-N 3.4Å |
| 209 | N | 82.8 | Confident | 79.2 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -71.3 | -37.2 | 173.4 | -82.2 | -17.5 | 0 | 0 | 0 | 112.9 | S178 I203 R204 T206 Y211 R212 I213 | S178-N209 PolarHBondContact N-ND2 3.14Å; S178-N209 PolarHBondContact N-OD1 3.27Å; S178-N209 PolarHBondContact O-ND2 2.89Å; I203-N209 HydrophobicContact CG2-CB 3.92Å; I203-N209 WeakPolarHBondContact CG2-ND2 3.07Å; R204-N209 WeakPolarHBondContact O-CB 3.44Å; R204-N209 PolarHBondContact O-ND2 3.28Å; T206-N209 PolarHBondContact O-N 2.77Å; T206-N209 WeakPolarHBondContact OG1-CB 3.33Å; T206-N209 PolarHBondContact OG1-N 2.85Å; N209-Y211 VanDerWaalsContact C-N 3.31Å; N209-Y211 PolarHBondContact O-N 2.95Å; N209-R212 WeakPolarHBondContact O-CB 3.19Å; N209-R212 PolarHBondContact O-N 2.8Å; N209-R212 VanDerWaalsContact OD1-CD 3.32Å; N209-R212 WeakPolarHBondContact OD1-CD 3.44Å; N209-R212 PolarHBondContact OD1-NH1 3.09Å; N209-I213 WeakPolarHBondContact O-CG1 3.46Å; N209-I213 PolarHBondContact O-N 3.13Å |
| 210 | V | 75 | Confident | 79.5 | Confident | 50 Ų | 50 | 39.3 Ų | 39.3 | 30% | 0.303 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -59.7 | -44.2 | 170.2 | 175.1 | 0 | 0 | 0 | 0 | 110.6 | F205 T206 I213 G214 V512 | F205-V210 HydrophobicContact CE2-CG2 4.35Å; T206-V210 PolarHBondContact O-N 3.28Å; V210-I213 PolarHBondContact O-N 3.36Å; V210-G214 PolarHBondContact O-N 2.88Å; V210-G214 VanDerWaalsContact O-N 3.08Å; V210-V512 HydrophobicContact CB-CG1 4.08Å; V210-V512 HydrophobicContact CG1-CG1 3.96Å; V210-V512 HydrophobicContact CG2-CG1 4.34Å |
| 211 | Y | 81.1 | Confident | 79.9 | Confident | 108 Ų | 108 | 37.8 Ų | 37.8 | 42% | 0.424 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.8 | -45.5 | 173.1 | 174.1 | -102.3 | 0 | 0 | 0 | 112.6 | S207 K208 N209 I213 G214 V215 M228 | S207-Y211 WeakPolarHBondContact O-CB 3.26Å; S207-Y211 PolarHBondContact O-N 3.11Å; K208-Y211 PolarHBondContact O-N 3.47Å; N209-Y211 VanDerWaalsContact C-N 3.31Å; N209-Y211 PolarHBondContact O-N 2.95Å; Y211-I213 VanDerWaalsContact C-N 3.34Å; Y211-I213 PolarHBondContact O-N 3.42Å; Y211-G214 WeakPolarHBondContact O-CA 3.49Å; Y211-G214 PolarHBondContact O-N 2.88Å; Y211-G214 VanDerWaalsContact O-N 3.07Å; Y211-V215 HydrophobicContact CE1-CG1 4.12Å; Y211-V215 HydrophobicContact CE1-CG2 4.39Å; Y211-V215 HydrophobicContact CE2-CG1 3.96Å; Y211-V215 WeakPolarHBondContact O-CG2 3.41Å; Y211-V215 PolarHBondContact O-N 2.9Å; Y211-M228 HydrophobicContact CE1-CE 3.7Å |
| 212 | R | 86.3 | Confident | 80.2 | Confident | 17 Ų | 17 | 37.7 Ų | 37.7 | 6% | 0.064 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.4 | -42.6 | 175.3 | -76.1 | 164.4 | -176 | 127.9 | 7.3 | 112.5 | L11 P176 F177 D187 K208 N209 G214 V215 A216 | L11-R212 HydrophobicContact CD1-CB 3.73Å; L11-R212 HydrophobicContact CD1-CG 4.16Å; L11-R212 VanDerWaalsContact CD1-O 3.27Å; L11-R212 WeakPolarHBondContact CD1-O 3.11Å; P176-R212 VanDerWaalsContact O-CD 3.25Å; P176-R212 WeakPolarHBondContact O-CD 3.27Å; P176-R212 PolarHBondContact O-NE 2.9Å; F177-R212 HydrophobicContact CD1-CB 3.73Å; F177-R212 HydrophobicContact CE1-CB 3.88Å; D187-R212 IonicContact OD1-CZ 3.89Å; D187-R212 VanDerWaalsContact OD1-CZ 3.29Å; D187-R212 IonicContact OD1-NH1 3.27Å; D187-R212 PolarHBondContact OD1-NH1 3.28Å; D187-R212 IonicContact OD1-NH2 3.15Å; D187-R212 PolarHBondContact OD1-NH2 2.98Å; D187-R212 IonicContact OD2-CZ 2.71Å; D187-R212 IonicContact OD2-NH1 2.69Å; D187-R212 PolarHBondContact OD2-NH1 3.35Å; K208-R212 WeakPolarHBondContact O-CB 3.46Å; K208-R212 VanDerWaalsContact O-CG 3.25Å; K208-R212 WeakPolarHBondContact O-CG 3.18Å; K208-R212 PolarHBondContact O-N 3.4Å; N209-R212 WeakPolarHBondContact O-CB 3.19Å; N209-R212 PolarHBondContact O-N 2.8Å; N209-R212 VanDerWaalsContact OD1-CD 3.32Å; N209-R212 WeakPolarHBondContact OD1-CD 3.44Å; N209-R212 PolarHBondContact OD1-NH1 3.09Å; R212-G214 VanDerWaalsContact C-N 3.3Å; R212-G214 PolarHBondContact O-N 2.91Å; R212-V215 WeakPolarHBondContact O-CG2 3.21Å; R212-V215 PolarHBondContact O-N 2.87Å; R212-A216 WeakPolarHBondContact O-CB 3.43Å; R212-A216 PolarHBondContact O-N 2.92Å |
| 213 | I | 80.4 | Confident | 80.5 | Confident | 57 Ų | 57 | 38.7 Ų | 38.7 | 29% | 0.292 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.3 | -39.8 | 175.2 | -67.7 | 163.4 | 0 | 0 | 0 | 110.5 | F177 F196 N209 V210 Y211 A216 L217 | F177-I213 HydrophobicContact CD1-CG1 4.17Å; F177-I213 HydrophobicContact CE1-CG1 3.7Å; F177-I213 HydrophobicContact CZ-CG1 4.46Å; F196-I213 HydrophobicContact CE2-CD1 4.44Å; F196-I213 HydrophobicContact CZ-CD1 3.88Å; N209-I213 WeakPolarHBondContact O-CG1 3.46Å; N209-I213 PolarHBondContact O-N 3.13Å; V210-I213 PolarHBondContact O-N 3.36Å; Y211-I213 VanDerWaalsContact C-N 3.34Å; Y211-I213 PolarHBondContact O-N 3.42Å; I213-A216 PolarHBondContact O-N 3.34Å; I213-L217 PolarHBondContact O-N 3.04Å |
| 214 | G | 76.4 | Confident | 80.9 | Confident | 34 Ų | 34 | 40.8 Ų | 40.8 | 35% | 0.351 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -57.2 | -50.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V210 Y211 R212 L217 F218 | V210-G214 PolarHBondContact O-N 2.88Å; V210-G214 VanDerWaalsContact O-N 3.08Å; Y211-G214 WeakPolarHBondContact O-CA 3.49Å; Y211-G214 PolarHBondContact O-N 2.88Å; Y211-G214 VanDerWaalsContact O-N 3.07Å; R212-G214 VanDerWaalsContact C-N 3.3Å; R212-G214 PolarHBondContact O-N 2.91Å; G214-L217 PolarHBondContact O-N 3.39Å; G214-F218 PolarHBondContact O-N 3.31Å |
| 215 | V | 85.2 | Confident | 81.5 | Confident | 10 Ų | 10 | 38 Ų | 38 | 6% | 0.061 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -76.5 | -19.6 | -178.7 | -66.3 | 0 | 0 | 0 | 0 | 114.7 | L11 Y211 R212 L217 F218 P220 M228 | L11-V215 HydrophobicContact CD1-CG2 4.26Å; L11-V215 HydrophobicContact CD2-CG2 3.77Å; L11-V215 HydrophobicContact CG-CG2 4.07Å; Y211-V215 HydrophobicContact CE1-CG1 4.12Å; Y211-V215 HydrophobicContact CE1-CG2 4.39Å; Y211-V215 HydrophobicContact CE2-CG1 3.96Å; Y211-V215 WeakPolarHBondContact O-CG2 3.41Å; Y211-V215 PolarHBondContact O-N 2.9Å; R212-V215 WeakPolarHBondContact O-CG2 3.21Å; R212-V215 PolarHBondContact O-N 2.87Å; V215-L217 VanDerWaalsContact C-N 3.28Å; V215-F218 WeakPolarHBondContact CA-O 3.18Å; V215-P220 HydrophobicContact CB-CG 4.06Å; V215-P220 HydrophobicContact CG1-CB 3.92Å; V215-P220 HydrophobicContact CG1-CG 3.94Å; V215-M228 HydrophobicContact CB-CE 4.49Å; V215-M228 HydrophobicContact CG2-CE 3.76Å; V215-M228 HydrophobicContact CG2-SD 4.34Å |
| 216 | A | 86.3 | Confident | 82.4 | Confident | 9 Ų | 9 | 36.9 Ų | 36.9 | 7% | 0.074 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.8 | -35.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | C8 F10 L11 F177 R212 I213 | C8-A216 WeakPolarHBondContact O-CB 3.25Å; F10-A216 PolarHBondContact N-O 3.29Å; L11-A216 HydrophobicContact CD1-CB 4.18Å; L11-A216 HydrophobicContact CG-CB 4.22Å; F177-A216 HydrophobicContact CZ-CB 4.35Å; R212-A216 WeakPolarHBondContact O-CB 3.43Å; R212-A216 PolarHBondContact O-N 2.92Å; I213-A216 PolarHBondContact O-N 3.34Å |
| 217 | L | 80.9 | Confident | 83.4 | Confident | 69 Ų | 69 | 40.2 Ų | 40.2 | 36% | 0.361 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -94.2 | -21.4 | 179.5 | -63.4 | 175.4 | 0 | 0 | 0 | 113.9 | Y142 I213 G214 V215 | Y142-L217 WeakPolarHBondContact CE2-O 3.14Å; Y142-L217 PolarHBondContact OH-O 3.01Å; I213-L217 PolarHBondContact O-N 3.04Å; G214-L217 PolarHBondContact O-N 3.39Å; V215-L217 VanDerWaalsContact C-N 3.28Å |
| 218 | F | 81.4 | Confident | 84.3 | Confident | 105 Ų | 105 | 39.6 Ų | 39.6 | 46% | 0.461 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -138.3 | 104.1 | -178.8 | -65.5 | -79.1 | 0 | 0 | 0 | 110.6 | L75 G214 V215 | L75-F218 HydrophobicContact CD1-CE1 4.32Å; L75-F218 HydrophobicContact CD1-CZ 4.26Å; G214-F218 PolarHBondContact O-N 3.31Å; V215-F218 WeakPolarHBondContact CA-O 3.18Å |
| 219 | P | 85 | Confident | 84.9 | Confident | 8 Ų | 8 | 36.5 Ų | 36.5 | 5% | 0.052 | 20% | 0.195 | C | C | . | . | trans | -62.4 | 128.4 | -168.4 | 16.8 | -25.5 | 0 | 0 | 0 | 112.1 | F10 A67 R68 | F10-P219 HydrophobicContact CB-CB 4.15Å; F10-P219 HydrophobicContact CD1-CB 3.8Å; F10-P219 HydrophobicContact CD1-CG 4.08Å; F10-P219 HydrophobicContact CD2-CB 4.09Å; F10-P219 HydrophobicContact CD2-CG 3.84Å; F10-P219 HydrophobicContact CE1-CB 4.17Å; F10-P219 HydrophobicContact CE1-CG 4.01Å; F10-P219 HydrophobicContact CE2-CB 4.42Å; F10-P219 HydrophobicContact CE2-CG 3.75Å; F10-P219 HydrophobicContact CG-CB 3.75Å; F10-P219 HydrophobicContact CG-CG 3.99Å; F10-P219 HydrophobicContact CZ-CB 4.46Å; F10-P219 HydrophobicContact CZ-CG 3.84Å; A67-P219 HydrophobicContact CB-CG 3.84Å; R68-P219 WeakPolarHBondContact CD-O 3.29Å; R68-P219 HydrophobicContact CG-CB 4.43Å; R68-P219 HydrophobicContact CG-CG 4.1Å; R68-P219 PolarHBondContact NH1-O 3.37Å | ||
| 220 | P | 84.8 | Confident | 85.2 | Confident | 15 Ų | 15 | 40.9 Ų | 40.9 | 10% | 0.097 | 21% | 0.212 | C | C | . | . | trans | -78.4 | -178.6 | 179.8 | 34.1 | -33.9 | 0 | 0 | 0 | 110.9 | R68 V215 V224 M225 M228 | R68-P220 WeakPolarHBondContact CD-O 3.4Å; R68-P220 PolarHBondContact NE-O 3.28Å; R68-P220 VanDerWaalsContact NH1-C 3.34Å; V215-P220 HydrophobicContact CB-CG 4.06Å; V215-P220 HydrophobicContact CG1-CB 3.92Å; V215-P220 HydrophobicContact CG1-CG 3.94Å; P220-V224 HydrophobicContact CB-CB 4.02Å; P220-V224 HydrophobicContact CB-CG1 3.96Å; P220-V224 HydrophobicContact CG-CB 4.23Å; P220-V224 HydrophobicContact CG-CG1 4Å; P220-M225 HydrophobicContact CG-CG 3.8Å; P220-M228 HydrophobicContact CG-SD 4.31Å | ||
| 221 | H | 85.5 | Confident | 86 | Confident | 49 Ų | 49 | 41.4 Ų | 41.4 | 23% | 0.227 | 21% | 0.211 | C | C | . | . | trans | -62.8 | 144.3 | 176.3 | -173.3 | -97 | 0 | 0 | 0 | 110.8 | D223 V224 M225 E348 | H221-D223 IonicContact CE1-OD2 3.43Å; H221-D223 PolarHBondContact CE1-OD2 3.42Å; H221-D223 PolarHBondContact ND1-N 3.08Å; H221-D223 IonicContact ND1-OD2 3.36Å; H221-D223 PolarHBondContact ND1-OD2 3.07Å; H221-D223 VanDerWaalsContact ND1-OD2 3.17Å; H221-D223 PolarHBondContact O-N 3.03Å; H221-V224 WeakPolarHBondContact O-CA 3.35Å; H221-V224 WeakPolarHBondContact O-CB 3.5Å; H221-V224 PolarHBondContact O-N 2.87Å; H221-M225 PolarHBondContact O-N 3.28Å; H221-M225 VanDerWaalsContact O-N 3.16Å; H221-E348 IonicContact CD2-OE1 2.77Å; H221-E348 PolarHBondContact CD2-OE1 3.39Å; H221-E348 IonicContact NE2-OE1 3.87Å | ||
| 222 | P | 86.3 | Confident | 86.5 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -51.4 | -30.4 | -179.5 | -33.1 | 37.3 | 0 | 0 | 0 | 115.6 | L61 I65 M225 S226 A344 E348 | L61-P222 HydrophobicContact CD2-CB 4.26Å; I65-P222 HydrophobicContact CG1-CG 4.38Å; P222-M225 CarbonylContact O-C 3.49Å; P222-M225 PolarHBondContact O-N 3.23Å; P222-S226 PolarHBondContact O-N 2.95Å; P222-A344 HydrophobicContact CB-CB 4.24Å; P222-A344 HydrophobicContact CG-CB 4.49Å; P222-E348 VanDerWaalsContact CD-CD 3.47Å; P222-E348 WeakPolarHBondContact CD-OE2 3.36Å; P222-E348 HydrophobicContact CG-CB 4.13Å; P222-E348 WeakPolarHBondContact CG-OE2 3.35Å |
| 223 | D | 86.4 | Confident | 86.7 | Confident | 59 Ų | 59 | 35.5 Ų | 35.5 | 32% | 0.316 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62.5 | -41.7 | 173.7 | -63.9 | -27.1 | 0 | 0 | 0 | 111.9 | H221 S226 D227 S345 K349 | H221-D223 IonicContact CE1-OD2 3.43Å; H221-D223 PolarHBondContact CE1-OD2 3.42Å; H221-D223 PolarHBondContact ND1-N 3.08Å; H221-D223 IonicContact ND1-OD2 3.36Å; H221-D223 PolarHBondContact ND1-OD2 3.07Å; H221-D223 VanDerWaalsContact ND1-OD2 3.17Å; H221-D223 PolarHBondContact O-N 3.03Å; D223-S226 WeakPolarHBondContact O-CB 3.16Å; D223-S226 PolarHBondContact O-N 3Å; D223-D227 PolarHBondContact O-N 2.95Å; D223-D227 VanDerWaalsContact O-N 3.08Å; D223-S345 WeakPolarHBondContact OD1-CB 3.22Å; D223-S345 PolarHBondContact OD1-OG 3.37Å; D223-K349 IonicContact OD1-NZ 3.67Å; D223-K349 PolarHBondContact OD1-NZ 3.46Å; D223-K349 WeakPolarHBondContact OD2-CE 3.49Å; D223-K349 IonicContact OD2-NZ 2.69Å; D223-K349 PolarHBondContact OD2-NZ 2.91Å |
| 224 | V | 87.7 | Confident | 87 | Confident | 45 Ų | 45 | 36.2 Ų | 36.2 | 27% | 0.273 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -68.8 | -37.1 | 175.5 | 179.7 | 0 | 0 | 0 | 0 | 110.7 | P220 H221 S226 D227 M228 | P220-V224 HydrophobicContact CB-CB 4.02Å; P220-V224 HydrophobicContact CB-CG1 3.96Å; P220-V224 HydrophobicContact CG-CB 4.23Å; P220-V224 HydrophobicContact CG-CG1 4Å; H221-V224 WeakPolarHBondContact O-CA 3.35Å; H221-V224 WeakPolarHBondContact O-CB 3.5Å; H221-V224 PolarHBondContact O-N 2.87Å; V224-S226 PolarHBondContact O-N 3.42Å; V224-D227 PolarHBondContact O-N 3.31Å; V224-M228 HydrophobicContact CG1-CE 3.49Å; V224-M228 VanDerWaalsContact CG1-CE 3.49Å; V224-M228 HydrophobicContact CG1-SD 4.06Å; V224-M228 WeakPolarHBondContact O-CG 3.34Å; V224-M228 PolarHBondContact O-N 3.28Å |
| 225 | M | 89.1 | Confident | 87.7 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.2 | -31.2 | 172.7 | -59.8 | -169.6 | 72.5 | 0 | 0 | 112 | I13 I60 L61 S64 P220 H221 P222 C229 | I13-M225 HydrophobicContact CB-CE 3.95Å; I13-M225 HydrophobicContact CG1-CB 4.29Å; I13-M225 HydrophobicContact CG1-CE 4.38Å; I13-M225 HydrophobicContact CG2-CB 4.19Å; I13-M225 HydrophobicContact CG2-CE 3.93Å; I60-M225 HydrophobicContact CG2-CE 3.97Å; L61-M225 HydrophobicContact CD2-CB 4.15Å; L61-M225 HydrophobicContact CD2-CE 4.38Å; L61-M225 HydrophobicContact CD2-SD 3.96Å; S64-M225 WeakPolarHBondContact OG-CE 3.41Å; P220-M225 HydrophobicContact CG-CG 3.8Å; H221-M225 PolarHBondContact O-N 3.28Å; H221-M225 VanDerWaalsContact O-N 3.16Å; P222-M225 CarbonylContact O-C 3.49Å; P222-M225 PolarHBondContact O-N 3.23Å; M225-C229 WeakPolarHBondContact O-CB 3.47Å; M225-C229 PolarHBondContact O-N 3.28Å |
| 226 | S | 88.9 | Confident | 87.9 | Confident | 32 Ų | 32 | 34.4 Ų | 34.4 | 22% | 0.224 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.5 | -43.7 | 172.8 | -169.5 | 0 | 0 | 0 | 0 | 112.2 | P222 D223 V224 C229 R230 | P222-S226 PolarHBondContact O-N 2.95Å; D223-S226 WeakPolarHBondContact O-CB 3.16Å; D223-S226 PolarHBondContact O-N 3Å; V224-S226 PolarHBondContact O-N 3.42Å; S226-C229 WeakPolarHBondContact O-CB 3.38Å; S226-C229 PolarHBondContact O-N 2.91Å; S226-R230 WeakPolarHBondContact O-CB 3.48Å; S226-R230 PolarHBondContact O-N 2.87Å |
| 227 | D | 89.5 | Confident | 87.8 | Confident | 77 Ų | 77 | 34.5 Ų | 34.5 | 41% | 0.412 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -62.8 | -40.5 | 173.2 | -74.8 | -46.4 | 0 | 0 | 0 | 112 | D223 V224 R230 Q231 | D223-D227 PolarHBondContact O-N 2.95Å; D223-D227 VanDerWaalsContact O-N 3.08Å; V224-D227 PolarHBondContact O-N 3.31Å; D227-R230 PolarHBondContact O-N 3.32Å; D227-R230 IonicContact OD1-CZ 3.09Å; D227-R230 IonicContact OD1-NH1 2.87Å; D227-R230 PolarHBondContact OD1-NH1 3.02Å; D227-R230 IonicContact OD1-NH2 3.24Å; D227-R230 PolarHBondContact OD1-NH2 2.98Å; D227-Q231 WeakPolarHBondContact O-CB 3.33Å; D227-Q231 PolarHBondContact O-N 3.15Å |
| 228 | M | 90.8 | Very high | 87.8 | Confident | 19 Ų | 19 | 35.6 Ų | 35.6 | 9% | 0.094 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.8 | -37.7 | 175.1 | -69.6 | 164.6 | 179.4 | 0 | 0 | 112.7 | L11 I13 Y211 V215 P220 V224 Q231 G232 | L11-M228 HydrophobicContact CD2-CE 4.33Å; L11-M228 HydrophobicContact CD2-CG 4.35Å; L11-M228 HydrophobicContact CD2-SD 3.51Å; L11-M228 VanDerWaalsContact CD2-SD 3.51Å; I13-M228 HydrophobicContact CG2-CB 4.08Å; Y211-M228 HydrophobicContact CE1-CE 3.7Å; V215-M228 HydrophobicContact CB-CE 4.49Å; V215-M228 HydrophobicContact CG2-CE 3.76Å; V215-M228 HydrophobicContact CG2-SD 4.34Å; P220-M228 HydrophobicContact CG-SD 4.31Å; V224-M228 HydrophobicContact CG1-CE 3.49Å; V224-M228 VanDerWaalsContact CG1-CE 3.49Å; V224-M228 HydrophobicContact CG1-SD 4.06Å; V224-M228 WeakPolarHBondContact O-CG 3.34Å; V224-M228 PolarHBondContact O-N 3.28Å; M228-Q231 PolarHBondContact O-N 3.01Å; M228-G232 PolarHBondContact O-N 3Å; M228-G232 VanDerWaalsContact O-N 3.15Å |
| 229 | C | 92.4 | Very high | 88 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.8 | -44.3 | 172.1 | -163 | 0 | 0 | 0 | 0 | 111.2 | I13 G17 M225 S226 G232 F233 L333 L341 | I13-C229 HydrophobicContact CG1-CB 3.94Å; G17-C229 VanDerWaalsContact CA-O 3.31Å; G17-C229 WeakPolarHBondContact CA-O 3.48Å; M225-C229 WeakPolarHBondContact O-CB 3.47Å; M225-C229 PolarHBondContact O-N 3.28Å; S226-C229 WeakPolarHBondContact O-CB 3.38Å; S226-C229 PolarHBondContact O-N 2.91Å; C229-G232 PolarHBondContact O-N 3.48Å; C229-F233 PolarHBondContact O-N 3.03Å; C229-L333 HydrophobicContact CB-CD1 4.05Å; C229-L341 HydrophobicContact CB-CD1 4.08Å |
| 230 | R | 90.8 | Very high | 87.7 | Confident | 94 Ų | 94 | 31 Ų | 31 | 36% | 0.355 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -65.1 | -40.9 | 177 | -168.3 | -175.9 | 64.7 | -107.3 | -9.8 | 111.2 | S226 D227 F233 E234 L333 | S226-R230 WeakPolarHBondContact O-CB 3.48Å; S226-R230 PolarHBondContact O-N 2.87Å; D227-R230 PolarHBondContact O-N 3.32Å; D227-R230 IonicContact OD1-CZ 3.09Å; D227-R230 IonicContact OD1-NH1 2.87Å; D227-R230 PolarHBondContact OD1-NH1 3.02Å; D227-R230 IonicContact OD1-NH2 3.24Å; D227-R230 PolarHBondContact OD1-NH2 2.98Å; R230-F233 WeakPolarHBondContact O-CB 3.45Å; R230-F233 PolarHBondContact O-N 3.2Å; R230-E234 WeakPolarHBondContact CD-OE1 3.41Å; R230-E234 HydrophobicContact CG-CG 4.28Å; R230-E234 WeakPolarHBondContact CG-OE1 3.28Å; R230-E234 IonicContact NE-OE1 3.2Å; R230-E234 PolarHBondContact NE-OE1 3.33Å; R230-E234 VanDerWaalsContact NE-OE1 3.15Å; R230-E234 WeakPolarHBondContact O-CB 3.26Å; R230-E234 WeakPolarHBondContact O-CG 3.44Å; R230-E234 PolarHBondContact O-N 3.41Å; R230-L333 HydrophobicContact CB-CD1 4.07Å; R230-L333 HydrophobicContact CB-CG 4.34Å |
| 231 | Q | 90.3 | Very high | 87.1 | Confident | 61 Ų | 61 | 32.3 Ų | 32.3 | 29% | 0.285 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -57.9 | -49.6 | 176.6 | -179.9 | 159.9 | 60.4 | 0 | 0 | 111.6 | Y14 P185 D227 M228 F233 E234 D235 | Y14-Q231 HydrophobicContact CE2-CG 4.16Å; P185-Q231 HydrophobicContact CG-CG 4.49Å; D227-Q231 WeakPolarHBondContact O-CB 3.33Å; D227-Q231 PolarHBondContact O-N 3.15Å; M228-Q231 PolarHBondContact O-N 3.01Å; Q231-F233 VanDerWaalsContact C-N 3.28Å; Q231-F233 PolarHBondContact O-N 3.41Å; Q231-E234 PolarHBondContact O-N 3.47Å; Q231-E234 VanDerWaalsContact O-N 3.16Å; Q231-D235 WeakPolarHBondContact CG-OD2 3.45Å; Q231-D235 WeakPolarHBondContact O-CB 3.45Å; Q231-D235 PolarHBondContact O-N 2.98Å |
| 232 | G | 91.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.2 | -32.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y14 V18 M228 C229 T236 | Y14-G232 VanDerWaalsContact CD2-CA 3.43Å; V18-G232 WeakPolarHBondContact CG2-O 3.19Å; M228-G232 PolarHBondContact O-N 3Å; M228-G232 VanDerWaalsContact O-N 3.15Å; C229-G232 PolarHBondContact O-N 3.48Å; G232-T236 WeakPolarHBondContact O-CB 3.3Å; G232-T236 PolarHBondContact O-N 2.86Å; G232-T236 VanDerWaalsContact O-N 3.15Å; G232-T236 PolarHBondContact O-OG1 3.45Å |
| 233 | F | 90.5 | Very high | 85.5 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.9 | -46.2 | 172.8 | -178.5 | -92 | 0 | 0 | 0 | 112 | G17 A20 A21 Y25 C229 R230 Q231 T236 L237 G332 L333 P334 | G17-F233 WeakPolarHBondContact O-CA 2.78Å; A20-F233 HydrophobicContact CB-CD2 4.03Å; A20-F233 HydrophobicContact CB-CE2 4.4Å; A21-F233 HydrophobicContact CB-CD2 3.62Å; A21-F233 HydrophobicContact CB-CE2 4.06Å; A21-F233 HydrophobicContact CB-CG 4.13Å; Y25-F233 HydrophobicContact CE2-CE2 4.14Å; Y25-F233 AromaticContact CE2-CZ 3.72Å; Y25-F233 HydrophobicContact CE2-CZ 3.72Å; C229-F233 PolarHBondContact O-N 3.03Å; R230-F233 WeakPolarHBondContact O-CB 3.45Å; R230-F233 PolarHBondContact O-N 3.2Å; Q231-F233 VanDerWaalsContact C-N 3.28Å; Q231-F233 PolarHBondContact O-N 3.41Å; F233-T236 PolarHBondContact O-N 3.28Å; F233-L237 HydrophobicContact CD1-CD1 3.91Å; F233-L237 HydrophobicContact CE1-CD1 3.6Å; F233-L237 HydrophobicContact CE1-CG 4.46Å; F233-L237 HydrophobicContact CZ-CD1 4.3Å; F233-L237 WeakPolarHBondContact O-CG 3.35Å; F233-L237 PolarHBondContact O-N 3.08Å; F233-G332 WeakPolarHBondContact CE1-O 3.44Å; F233-G332 WeakPolarHBondContact CZ-O 3.44Å; F233-L333 HydrophobicContact CB-CD2 3.68Å; F233-L333 HydrophobicContact CD2-CD2 3.99Å; F233-L333 HydrophobicContact CG-CD2 3.85Å; F233-P334 HydrophobicContact CE2-CG 4.21Å |
| 234 | E | 87.5 | Confident | 83.8 | Confident | 72 Ų | 72 | 38.1 Ų | 38.1 | 34% | 0.336 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -66.8 | -40.2 | 177.9 | -73.2 | 173.3 | -167 | 0 | 0 | 112.8 | R230 Q231 L237 R238 | R230-E234 WeakPolarHBondContact CD-OE1 3.41Å; R230-E234 HydrophobicContact CG-CG 4.28Å; R230-E234 WeakPolarHBondContact CG-OE1 3.28Å; R230-E234 IonicContact NE-OE1 3.2Å; R230-E234 PolarHBondContact NE-OE1 3.33Å; R230-E234 VanDerWaalsContact NE-OE1 3.15Å; R230-E234 WeakPolarHBondContact O-CB 3.26Å; R230-E234 WeakPolarHBondContact O-CG 3.44Å; R230-E234 PolarHBondContact O-N 3.41Å; Q231-E234 PolarHBondContact O-N 3.47Å; Q231-E234 VanDerWaalsContact O-N 3.16Å; E234-L237 PolarHBondContact O-N 2.9Å; E234-R238 PolarHBondContact O-N 3.4Å |
| 235 | D | 90 | Very high | 81.5 | Confident | 6 Ų | 6 | 41.2 Ų | 41.2 | 3% | 0.032 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.9 | -40.2 | 177.4 | -66.2 | -27.2 | 0 | 0 | 0 | 110.9 | Y14 I183 P185 Q231 R238 F239 | Y14-D235 PolarHBondContact OH-OD2 2.8Å; I183-D235 HydrophobicContact CG2-CB 4.49Å; P185-D235 WeakPolarHBondContact CA-OD2 3.42Å; Q231-D235 WeakPolarHBondContact CG-OD2 3.45Å; Q231-D235 WeakPolarHBondContact O-CB 3.45Å; Q231-D235 PolarHBondContact O-N 2.98Å; D235-R238 WeakPolarHBondContact O-CB 3.45Å; D235-R238 PolarHBondContact O-N 2.89Å; D235-R238 IonicContact OD1-CZ 2.62Å; D235-R238 VanDerWaalsContact OD1-CZ 3.27Å; D235-R238 IonicContact OD1-NH1 3.54Å; D235-R238 PolarHBondContact OD1-NH1 2.87Å; D235-R238 IonicContact OD1-NH2 3.79Å; D235-R238 PolarHBondContact OD1-NH2 3.29Å; D235-F239 PolarHBondContact O-N 3.16Å |
| 236 | T | 89.2 | Confident | 79.3 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.1 | -45 | 172.3 | -57.6 | 0 | 0 | 0 | 0 | 112 | V18 A21 I22 I183 G232 F233 R238 F239 L240 | V18-T236 WeakPolarHBondContact CA-OG1 3.45Å; V18-T236 HydrophobicContact CG1-CG2 4.48Å; V18-T236 WeakPolarHBondContact CG1-OG1 3.17Å; V18-T236 WeakPolarHBondContact CG2-OG1 3.28Å; A21-T236 HydrophobicContact CB-CG2 3.5Å; A21-T236 VanDerWaalsContact CB-CG2 3.5Å; I22-T236 HydrophobicContact CG1-CG2 4.03Å; I183-T236 HydrophobicContact CD1-CG2 4.19Å; I183-T236 WeakPolarHBondContact CG2-OG1 3.3Å; G232-T236 WeakPolarHBondContact O-CB 3.3Å; G232-T236 PolarHBondContact O-N 2.86Å; G232-T236 VanDerWaalsContact O-N 3.15Å; G232-T236 PolarHBondContact O-OG1 3.45Å; F233-T236 PolarHBondContact O-N 3.28Å; T236-R238 PolarHBondContact O-N 3.17Å; T236-F239 PolarHBondContact O-N 3.19Å; T236-L240 HydrophobicContact CG2-CD1 4.01Å; T236-L240 HydrophobicContact CG2-CG 4.18Å; T236-L240 VanDerWaalsContact O-CG 3.32Å; T236-L240 WeakPolarHBondContact O-CG 3.41Å; T236-L240 PolarHBondContact O-N 3.04Å |
| 237 | L | 84.2 | Confident | 76.7 | Confident | 10 Ų | 10 | 52.9 Ų | 52.9 | 5% | 0.052 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59 | -38 | 175 | -76 | 178.2 | 0 | 0 | 0 | 111.8 | Y25 F233 E234 A241 A328 | Y25-L237 HydrophobicContact CD1-CD2 4.08Å; Y25-L237 HydrophobicContact CD2-CD2 3.61Å; Y25-L237 HydrophobicContact CE1-CD2 4.4Å; Y25-L237 HydrophobicContact CE2-CD2 3.98Å; Y25-L237 HydrophobicContact CG-CD2 3.69Å; F233-L237 HydrophobicContact CD1-CD1 3.91Å; F233-L237 HydrophobicContact CE1-CD1 3.6Å; F233-L237 HydrophobicContact CE1-CG 4.46Å; F233-L237 HydrophobicContact CZ-CD1 4.3Å; F233-L237 WeakPolarHBondContact O-CG 3.35Å; F233-L237 PolarHBondContact O-N 3.08Å; E234-L237 PolarHBondContact O-N 2.9Å; L237-A241 VanDerWaalsContact O-CB 3.25Å; L237-A241 WeakPolarHBondContact O-CB 3.49Å; L237-A241 PolarHBondContact O-N 3.17Å; L237-A328 HydrophobicContact CD1-CB 3.84Å; L237-A328 HydrophobicContact CD2-CB 3.75Å; L237-A328 HydrophobicContact CG-CB 4.42Å |
| 238 | R | 82.9 | Confident | 74.3 | Confident | 93 Ų | 93 | 57.8 Ų | 57.8 | 35% | 0.351 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.7 | -40.9 | 175.8 | -160 | -177.3 | -49.9 | 104.7 | 8.2 | 112.1 | E234 D235 T236 R242 | E234-R238 PolarHBondContact O-N 3.4Å; D235-R238 WeakPolarHBondContact O-CB 3.45Å; D235-R238 PolarHBondContact O-N 2.89Å; D235-R238 IonicContact OD1-CZ 2.62Å; D235-R238 VanDerWaalsContact OD1-CZ 3.27Å; D235-R238 IonicContact OD1-NH1 3.54Å; D235-R238 PolarHBondContact OD1-NH1 2.87Å; D235-R238 IonicContact OD1-NH2 3.79Å; D235-R238 PolarHBondContact OD1-NH2 3.29Å; T236-R238 PolarHBondContact O-N 3.17Å; R238-R242 WeakPolarHBondContact O-CB 3.5Å; R238-R242 WeakPolarHBondContact O-CG 3.26Å; R238-R242 PolarHBondContact O-N 3.34Å |
| 239 | F | 84.7 | Confident | 71.7 | Confident | 13 Ų | 13 | 61.8 Ų | 61.8 | 6% | 0.057 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.3 | -52.8 | 173.3 | 173.5 | -92.6 | 0 | 0 | 0 | 111.7 | I172 D182 I183 D235 T236 A241 R242 H243 | I172-F239 HydrophobicContact CD1-CE1 4Å; I172-F239 HydrophobicContact CD1-CZ 4.06Å; I172-F239 HydrophobicContact CG1-CE1 4.43Å; I172-F239 HydrophobicContact CG1-CZ 4.04Å; I172-F239 HydrophobicContact CG2-CE1 3.88Å; I172-F239 HydrophobicContact CG2-CE2 4.28Å; I172-F239 HydrophobicContact CG2-CZ 3.67Å; D182-F239 HydrophobicContact CB-CD2 4.06Å; D182-F239 HydrophobicContact CB-CE2 3.66Å; D182-F239 HydrophobicContact CB-CZ 4.41Å; D182-F239 WeakPolarHBondContact O-CD2 3.29Å; I183-F239 HydrophobicContact CD1-CB 4.35Å; I183-F239 HydrophobicContact CD1-CD1 3.81Å; I183-F239 HydrophobicContact CD1-CE1 4.35Å; I183-F239 HydrophobicContact CD1-CG 4.06Å; I183-F239 HydrophobicContact CG1-CB 3.87Å; I183-F239 HydrophobicContact CG1-CD1 3.94Å; I183-F239 HydrophobicContact CG1-CD2 4.02Å; I183-F239 HydrophobicContact CG1-CG 3.66Å; D235-F239 PolarHBondContact O-N 3.16Å; T236-F239 PolarHBondContact O-N 3.19Å; F239-A241 VanDerWaalsContact C-N 3.26Å; F239-A241 PolarHBondContact O-N 2.8Å; F239-R242 PolarHBondContact O-N 3.25Å; F239-R242 VanDerWaalsContact O-N 3.16Å; F239-H243 AromaticContact CD2-CD2 3.37Å; F239-H243 WeakPolarHBondContact CD2-CD2 3.48Å; F239-H243 AromaticContact CD2-NE2 3.64Å; F239-H243 AromaticContact CE2-CD2 3.18Å; F239-H243 WeakPolarHBondContact CE2-CD2 3.14Å; F239-H243 AromaticContact CE2-CG 3.97Å; F239-H243 AromaticContact CE2-NE2 3.34Å; F239-H243 VanDerWaalsContact CE2-NE2 3.34Å; F239-H243 WeakPolarHBondContact CE2-NE2 3.12Å; F239-H243 AromaticContact CZ-CD2 3.7Å; F239-H243 PolarHBondContact O-CD2 3.24Å; F239-H243 PolarHBondContact O-N 3.01Å |
| 240 | L | 79.3 | Confident | 69.2 | Low | 2 Ų | 2 | 68.7 Ų | 68.7 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.1 | -36.8 | 179.4 | -64.7 | 176.3 | 0 | 0 | 0 | 112 | A26 T236 G244 L254 I255 | A26-L240 HydrophobicContact CB-CD1 4.23Å; A26-L240 HydrophobicContact CB-CD2 4.24Å; T236-L240 HydrophobicContact CG2-CD1 4.01Å; T236-L240 HydrophobicContact CG2-CG 4.18Å; T236-L240 VanDerWaalsContact O-CG 3.32Å; T236-L240 WeakPolarHBondContact O-CG 3.41Å; T236-L240 PolarHBondContact O-N 3.04Å; L240-G244 PolarHBondContact O-N 3.45Å; L240-L254 HydrophobicContact CD2-CB 4.2Å; L240-L254 HydrophobicContact CD2-CD1 4.07Å; L240-L254 HydrophobicContact CD2-CD2 4.17Å; L240-L254 HydrophobicContact CD2-CG 4.39Å; L240-I255 HydrophobicContact CB-CD1 4.28Å; L240-I255 HydrophobicContact CB-CG1 4.26Å |
| 241 | A | 72.1 | Confident | 66.8 | Low | 44 Ų | 44 | 65.9 Ų | 65.9 | 36% | 0.364 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.3 | -46.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L237 F239 G244 | L237-A241 VanDerWaalsContact O-CB 3.25Å; L237-A241 WeakPolarHBondContact O-CB 3.49Å; L237-A241 PolarHBondContact O-N 3.17Å; F239-A241 VanDerWaalsContact C-N 3.26Å; F239-A241 PolarHBondContact O-N 2.8Å; A241-G244 PolarHBondContact O-N 2.71Å |
| 242 | R | 70.8 | Confident | 64.4 | Low | 159 Ų | 159 | 65.2 Ų | 65.2 | 60% | 0.6 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -60.2 | -52.6 | 177.9 | -77.6 | 172.9 | 171.7 | -177.2 | -5.7 | 111.9 | R238 F239 G244 S245 I246 | R238-R242 WeakPolarHBondContact O-CB 3.5Å; R238-R242 WeakPolarHBondContact O-CG 3.26Å; R238-R242 PolarHBondContact O-N 3.34Å; F239-R242 PolarHBondContact O-N 3.25Å; F239-R242 VanDerWaalsContact O-N 3.16Å; R242-G244 VanDerWaalsContact C-N 3.29Å; R242-G244 PolarHBondContact O-N 2.98Å; R242-S245 PolarHBondContact O-N 3.08Å; R242-I246 WeakPolarHBondContact O-CD1 3.4Å; R242-I246 WeakPolarHBondContact O-CG1 3.33Å; R242-I246 PolarHBondContact O-N 2.94Å |
| 243 | H | 65.9 | Low | 62.4 | Low | 54 Ų | 54 | 69.8 Ų | 69.8 | 25% | 0.25 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -74.5 | -20.2 | -176.7 | -69.1 | -83.9 | 0 | 0 | 0 | 113.2 | F239 S245 L254 | F239-H243 AromaticContact CD2-CD2 3.37Å; F239-H243 WeakPolarHBondContact CD2-CD2 3.48Å; F239-H243 AromaticContact CD2-NE2 3.64Å; F239-H243 AromaticContact CE2-CD2 3.18Å; F239-H243 WeakPolarHBondContact CE2-CD2 3.14Å; F239-H243 AromaticContact CE2-CG 3.97Å; F239-H243 AromaticContact CE2-NE2 3.34Å; F239-H243 VanDerWaalsContact CE2-NE2 3.34Å; F239-H243 WeakPolarHBondContact CE2-NE2 3.12Å; F239-H243 AromaticContact CZ-CD2 3.7Å; F239-H243 PolarHBondContact O-CD2 3.24Å; F239-H243 PolarHBondContact O-N 3.01Å; H243-S245 VanDerWaalsContact C-N 3.25Å; H243-S245 PolarHBondContact O-N 2.79Å; H243-L254 HydrophobicContact CB-CD1 4.3Å |
| 244 | G | 51.9 | Low | 60.6 | Low | 18 Ų | 18 | 70.2 Ų | 70.2 | 19% | 0.186 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.2 | -22.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L240 A241 R242 S252 | L240-G244 PolarHBondContact O-N 3.45Å; A241-G244 PolarHBondContact O-N 2.71Å; R242-G244 VanDerWaalsContact C-N 3.29Å; R242-G244 PolarHBondContact O-N 2.98Å; G244-S252 CarbonylContact O-C 3.46Å; G244-S252 VanDerWaalsContact O-CA 3.22Å; G244-S252 WeakPolarHBondContact O-CA 3.29Å; G244-S252 VanDerWaalsContact O-O 3.07Å |
| 245 | S | 39.4 | Very low | 59.1 | Low | 109 Ų | 109 | 67.7 Ų | 67.7 | 76% | 0.762 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -105.3 | -15.6 | -178.4 | -62.3 | 0 | 0 | 0 | 0 | 115.1 | R242 H243 | R242-S245 PolarHBondContact O-N 3.08Å; H243-S245 VanDerWaalsContact C-N 3.25Å; H243-S245 PolarHBondContact O-N 2.79Å |
| 246 | I | 41.5 | Very low | 57.4 | Low | 126 Ų | 126 | 68.1 Ų | 68.1 | 65% | 0.646 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -105.3 | -15 | -162.4 | -67.7 | 172.5 | 0 | 0 | 0 | 114.2 | R242 | R242-I246 WeakPolarHBondContact O-CD1 3.4Å; R242-I246 WeakPolarHBondContact O-CG1 3.33Å; R242-I246 PolarHBondContact O-N 2.94Å |
| 247 | R | 34.8 | Very low | 55.8 | Low | 153 Ų | 153 | 68.4 Ų | 68.4 | 58% | 0.577 | 35% | 0.345 | S | S | * | . | trans | -126.5 | 112.1 | 176.2 | -77.6 | -177.1 | 172.9 | 139.5 | 5.5 | 112.3 | T249 L251 S252 | R247-T249 PolarHBondContact O-N 2.73Å; R247-L251 HydrophobicContact CB-CB 4.17Å; R247-L251 HydrophobicContact CB-CD1 4.22Å; R247-S252 WeakPolarHBondContact O-CB 3.18Å; R247-S252 PolarHBondContact O-N 3.44Å | ||
| 248 | H | 40.1 | Very low | 54.5 | Low | 179 Ų | 179 | 72.6 Ų | 72.6 | 83% | 0.829 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | 15.6 | 177.1 | -129.3 | -85 | 0 | 0 | 0 | 114.4 | ||
| 249 | T | 34.7 | Very low | 52.9 | Low | 103 Ų | 103 | 77.1 Ų | 77.1 | 63% | 0.632 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.5 | 93.7 | -165 | -36.1 | 0 | 0 | 0 | 0 | 109.2 | R247 L251 | R247-T249 PolarHBondContact O-N 2.73Å; T249-L251 PolarHBondContact O-N 2.86Å |
| 250 | I | 40.7 | Very low | 51.4 | Low | 145 Ų | 145 | 77.9 Ų | 77.9 | 74% | 0.744 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | -39.2 | 175 | -57.2 | 176.7 | 0 | 0 | 0 | 116 | ||
| 251 | L | 40.7 | Very low | 50.2 | Low | 36 Ų | 36 | 80.2 Ų | 80.2 | 19% | 0.188 | 41% | 0.406 | C | S | . | . | G | 310 helix | trans | -71 | -24.3 | -179.2 | -81.2 | 149.2 | 0 | 0 | 0 | 114.7 | M1 R247 T249 R253 L254 | M1-L251 HydrophobicContact CE-CD2 3.4Å; M1-L251 VanDerWaalsContact CE-CD2 3.4Å; M1-L251 HydrophobicContact CE-CG 3.71Å; M1-L251 HydrophobicContact SD-CD2 3.64Å; R247-L251 HydrophobicContact CB-CB 4.17Å; R247-L251 HydrophobicContact CB-CD1 4.22Å; T249-L251 PolarHBondContact O-N 2.86Å; L251-R253 PolarHBondContact O-N 2.7Å; L251-L254 HydrophobicContact CD2-CD1 4.17Å; L251-L254 WeakPolarHBondContact O-CG 3.41Å |
| 252 | S | 39.3 | Very low | 49.1 | Very low | 46 Ų | 46 | 80.6 Ų | 80.6 | 32% | 0.322 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -63.9 | -3.3 | -172.5 | 54 | 0 | 0 | 0 | 0 | 116.3 | G244 R247 | G244-S252 CarbonylContact O-C 3.46Å; G244-S252 VanDerWaalsContact O-CA 3.22Å; G244-S252 WeakPolarHBondContact O-CA 3.29Å; G244-S252 VanDerWaalsContact O-O 3.07Å; R247-S252 WeakPolarHBondContact O-CB 3.18Å; R247-S252 PolarHBondContact O-N 3.44Å |
| 253 | R | 49.2 | Very low | 48.3 | Very low | 96 Ų | 96 | 76.9 Ų | 76.9 | 36% | 0.362 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -135.3 | 53.8 | -176.4 | -61.4 | 179.9 | -174.8 | 146.1 | 1.4 | 110.9 | L251 R264 E315 | L251-R253 PolarHBondContact O-N 2.7Å; R253-R264 PolarHBondContact O-NH1 3.47Å; R253-R264 VanDerWaalsContact O-NH1 3.14Å; R253-E315 IonicContact CZ-OE1 3.17Å; R253-E315 IonicContact NH1-OE1 2.79Å; R253-E315 PolarHBondContact NH1-OE1 2.98Å; R253-E315 PolarHBondContact NH2-O 2.92Å; R253-E315 IonicContact NH2-OE1 2.83Å; R253-E315 PolarHBondContact NH2-OE1 3.06Å |
| 254 | L | 53.6 | Low | 47.5 | Very low | 11 Ų | 11 | 78.1 Ų | 78.1 | 6% | 0.058 | 41% | 0.407 | C | S | . | . | trans | -78.4 | -21.1 | 173.6 | -84.6 | 166.4 | 0 | 0 | 0 | 114 | Y25 A26 L29 L240 H243 L251 | Y25-L254 VanDerWaalsContact O-O 3.09Å; A26-L254 VanDerWaalsContact CA-O 3.27Å; A26-L254 WeakPolarHBondContact CA-O 3.36Å; A26-L254 HydrophobicContact CB-CD2 4.44Å; A26-L254 VanDerWaalsContact CB-O 3.26Å; A26-L254 WeakPolarHBondContact CB-O 3.38Å; L29-L254 HydrophobicContact CD1-CD2 3.96Å; L29-L254 HydrophobicContact CD2-CD2 3.91Å; L29-L254 HydrophobicContact CG-CD2 4.38Å; L240-L254 HydrophobicContact CD2-CB 4.2Å; L240-L254 HydrophobicContact CD2-CD1 4.07Å; L240-L254 HydrophobicContact CD2-CD2 4.17Å; L240-L254 HydrophobicContact CD2-CG 4.39Å; H243-L254 HydrophobicContact CB-CD1 4.3Å; L251-L254 HydrophobicContact CD2-CD1 4.17Å; L251-L254 WeakPolarHBondContact O-CG 3.41Å | ||
| 255 | I | 55.8 | Low | 47.2 | Very low | 18 Ų | 18 | 80.5 Ų | 80.5 | 9% | 0.092 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -107.4 | 96.3 | 175.1 | -61.4 | 176.8 | 0 | 0 | 0 | 108.3 | Y25 L240 T324 A325 | Y25-I255 HydrophobicContact CD1-CG2 4.39Å; Y25-I255 WeakPolarHBondContact O-CA 3.36Å; L240-I255 HydrophobicContact CB-CD1 4.28Å; L240-I255 HydrophobicContact CB-CG1 4.26Å; I255-T324 HydrophobicContact CG2-CG2 3.92Å; I255-A325 HydrophobicContact CD1-CB 3.58Å; I255-A325 HydrophobicContact CG2-CB 4.32Å |
| 256 | S | 54.1 | Low | 47.5 | Very low | 16 Ų | 16 | 78.7 Ų | 78.7 | 11% | 0.112 | 41% | 0.408 | C | S | . | . | trans | -92.2 | 116.9 | -170.9 | -78.7 | 0 | 0 | 0 | 0 | 113 | Y25 D28 | Y25-S256 PolarHBondContact O-N 2.61Å; D28-S256 VanDerWaalsContact OD2-CB 3.27Å; D28-S256 WeakPolarHBondContact OD2-CB 3.35Å; D28-S256 PolarHBondContact OD2-OG 2.7Å | ||
| 257 | C | 56.7 | Low | 47.6 | Very low | 6 Ų | 6 | 76.9 Ų | 76.9 | 4% | 0.041 | 40% | 0.398 | C | S | . | . | trans | -79.9 | 152.8 | 166.2 | 90 | 0 | 0 | 0 | 0 | 111.5 | R259 C260 I261 R320 C321 | C257-R259 PolarHBondContact O-N 3.17Å; C257-R259 VanDerWaalsContact O-N 3.09Å; C257-C260 WeakPolarHBondContact O-CB 3.4Å; C257-C260 PolarHBondContact O-N 3.22Å; C257-I261 PolarHBondContact O-N 2.79Å; C257-R320 HydrophobicContact CB-CB 4.3Å; C257-R320 HydrophobicContact CB-CG 4.14Å; C257-C321 VanDerWaalsContact CB-SG 3.59Å; C257-C321 PolarHBondContact N-SG 3.32Å; C257-C321 PolarHBondContact SG-SG 3.15Å | ||
| 258 | T | 56 | Low | 48 | Very low | 98 Ų | 98 | 74.6 Ų | 74.6 | 60% | 0.601 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -54.9 | -32 | -176.3 | 46 | 0 | 0 | 0 | 0 | 114.6 | I261 A262 | T258-I261 PolarHBondContact O-N 3.36Å; T258-A262 WeakPolarHBondContact O-CB 3.22Å; T258-A262 PolarHBondContact O-N 3.4Å |
| 259 | R | 48.6 | Very low | 48.1 | Very low | 187 Ų | 187 | 73.2 Ų | 73.2 | 71% | 0.706 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -68.4 | -37.4 | 176 | -167.2 | 175 | -177.9 | 176.9 | -0.5 | 112.1 | C257 V263 | C257-R259 PolarHBondContact O-N 3.17Å; C257-R259 VanDerWaalsContact O-N 3.09Å; R259-V263 WeakPolarHBondContact O-CG2 3.24Å; R259-V263 PolarHBondContact O-N 3.49Å |
| 260 | C | 54.7 | Low | 48.3 | Very low | 29 Ų | 29 | 71.9 Ų | 71.9 | 20% | 0.196 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -73.9 | -36.6 | 175.5 | -65.8 | 0 | 0 | 0 | 0 | 112.3 | C257 V263 R264 | C257-C260 WeakPolarHBondContact O-CB 3.4Å; C257-C260 PolarHBondContact O-N 3.22Å; C260-V263 PolarHBondContact O-N 2.83Å; C260-R264 WeakPolarHBondContact O-CB 3.37Å; C260-R264 PolarHBondContact O-N 3.48Å |
| 261 | I | 53.4 | Low | 48.3 | Very low | 51 Ų | 51 | 72.4 Ų | 72.4 | 26% | 0.262 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.8 | -47.5 | 173.5 | -61.4 | 173.1 | 0 | 0 | 0 | 110 | C257 T258 V263 R264 S265 | C257-I261 PolarHBondContact O-N 2.79Å; T258-I261 PolarHBondContact O-N 3.36Å; I261-V263 PolarHBondContact O-N 2.9Å; I261-R264 PolarHBondContact O-N 3.49Å; I261-S265 WeakPolarHBondContact O-CB 3.46Å; I261-S265 PolarHBondContact O-N 3.19Å; I261-S265 PolarHBondContact O-OG 3.14Å |
| 262 | A | 50.2 | Low | 48 | Very low | 53 Ų | 53 | 74.3 Ų | 74.3 | 44% | 0.438 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -56.8 | -52.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | T258 R264 S265 S266 | T258-A262 WeakPolarHBondContact O-CB 3.22Å; T258-A262 PolarHBondContact O-N 3.4Å; A262-R264 PolarHBondContact O-N 3.46Å; A262-S265 PolarHBondContact O-N 3.37Å; A262-S265 PolarHBondContact O-OG 2.88Å; A262-S266 PolarHBondContact O-N 2.89Å; A262-S266 VanDerWaalsContact O-N 3.13Å; A262-S266 PolarHBondContact O-OG 3.05Å |
| 263 | V | 53.6 | Low | 47.5 | Very low | 81 Ų | 81 | 74.5 Ų | 74.5 | 49% | 0.491 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.2 | -44.4 | -179.9 | 173.7 | 0 | 0 | 0 | 0 | 112.1 | R259 C260 I261 S265 S266 I267 | R259-V263 WeakPolarHBondContact O-CG2 3.24Å; R259-V263 PolarHBondContact O-N 3.49Å; C260-V263 PolarHBondContact O-N 2.83Å; I261-V263 PolarHBondContact O-N 2.9Å; V263-S265 VanDerWaalsContact C-N 3.34Å; V263-S265 PolarHBondContact O-N 3.36Å; V263-S266 WeakPolarHBondContact CA-OG 3.17Å; V263-S266 PolarHBondContact O-N 2.89Å; V263-S266 PolarHBondContact O-OG 2.88Å; V263-I267 HydrophobicContact CG1-CD1 4.09Å; V263-I267 WeakPolarHBondContact O-CG1 3.44Å; V263-I267 PolarHBondContact O-N 3.21Å |
| 264 | R | 48.6 | Very low | 46.6 | Very low | 80 Ų | 80 | 76.8 Ų | 76.8 | 30% | 0.302 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -58.9 | -44.3 | 174.1 | -82.1 | 177.2 | 153.9 | 169.1 | -8.6 | 111.8 | D28 R253 C260 I261 A262 S266 I267 V268 | D28-R264 IonicContact OD2-NH1 3.26Å; R253-R264 PolarHBondContact O-NH1 3.47Å; R253-R264 VanDerWaalsContact O-NH1 3.14Å; C260-R264 WeakPolarHBondContact O-CB 3.37Å; C260-R264 PolarHBondContact O-N 3.48Å; I261-R264 PolarHBondContact O-N 3.49Å; A262-R264 PolarHBondContact O-N 3.46Å; R264-S266 VanDerWaalsContact C-N 3.28Å; R264-S266 PolarHBondContact O-N 3.23Å; R264-I267 PolarHBondContact O-N 3.27Å; R264-I267 VanDerWaalsContact O-N 3.15Å; R264-V268 PolarHBondContact O-N 3.38Å |
| 265 | S | 46.1 | Very low | 45.4 | Very low | 67 Ų | 67 | 82.4 Ų | 82.4 | 47% | 0.469 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.7 | -29.2 | -179.3 | 73.3 | 0 | 0 | 0 | 0 | 113.7 | I261 A262 V263 L269 | I261-S265 WeakPolarHBondContact O-CB 3.46Å; I261-S265 PolarHBondContact O-N 3.19Å; I261-S265 PolarHBondContact O-OG 3.14Å; A262-S265 PolarHBondContact O-N 3.37Å; A262-S265 PolarHBondContact O-OG 2.88Å; V263-S265 VanDerWaalsContact C-N 3.34Å; V263-S265 PolarHBondContact O-N 3.36Å; S265-L269 WeakPolarHBondContact O-CD1 3.28Å; S265-L269 WeakPolarHBondContact O-CG 3.35Å |
| 266 | S | 46 | Very low | 44.2 | Very low | 71 Ų | 71 | 89.3 Ų | 89.3 | 50% | 0.497 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -75.3 | -27 | 173.2 | 36.5 | 0 | 0 | 0 | 0 | 114.4 | A262 V263 R264 | A262-S266 PolarHBondContact O-N 2.89Å; A262-S266 VanDerWaalsContact O-N 3.13Å; A262-S266 PolarHBondContact O-OG 3.05Å; V263-S266 WeakPolarHBondContact CA-OG 3.17Å; V263-S266 PolarHBondContact O-N 2.89Å; V263-S266 PolarHBondContact O-OG 2.88Å; R264-S266 VanDerWaalsContact C-N 3.28Å; R264-S266 PolarHBondContact O-N 3.23Å |
| 267 | I | 42.6 | Very low | 43.2 | Very low | 88 Ų | 88 | 93 Ų | 93 | 45% | 0.451 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -77.8 | -44.9 | -179.1 | -65.6 | 163.5 | 0 | 0 | 0 | 110.7 | V263 R264 L269 A270 E271 | V263-I267 HydrophobicContact CG1-CD1 4.09Å; V263-I267 WeakPolarHBondContact O-CG1 3.44Å; V263-I267 PolarHBondContact O-N 3.21Å; R264-I267 PolarHBondContact O-N 3.27Å; R264-I267 VanDerWaalsContact O-N 3.15Å; I267-L269 PolarHBondContact O-N 3.29Å; I267-L269 VanDerWaalsContact O-N 3.11Å; I267-A270 WeakPolarHBondContact O-CB 3.45Å; I267-A270 PolarHBondContact O-N 2.88Å; I267-E271 PolarHBondContact O-N 3.41Å |
| 268 | V | 42.3 | Very low | 42.2 | Very low | 105 Ų | 105 | 100.6 Ų | 100.6 | 64% | 0.636 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -18.5 | 178.7 | 179.5 | 0 | 0 | 0 | 0 | 112.7 | R264 | R264-V268 PolarHBondContact O-N 3.38Š|
| 269 | L | 42.4 | Very low | 41.3 | Very low | 151 Ų | 151 | 102.1 Ų | 102.1 | 79% | 0.791 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -12.8 | 172.3 | -70.6 | 172.9 | 0 | 0 | 0 | 113.9 | S265 I267 | S265-L269 WeakPolarHBondContact O-CD1 3.28Å; S265-L269 WeakPolarHBondContact O-CG 3.35Å; I267-L269 PolarHBondContact O-N 3.29Å; I267-L269 VanDerWaalsContact O-N 3.11Å |
| 270 | A | 40.2 | Very low | 40.7 | Very low | 74 Ų | 74 | 101.8 Ų | 101.8 | 61% | 0.612 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -34.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | I267 G272 | I267-A270 WeakPolarHBondContact O-CB 3.45Å; I267-A270 PolarHBondContact O-N 2.88Å; A270-G272 PolarHBondContact O-N 3.14Å |
| 271 | E | 40.7 | Very low | 39.7 | Very low | 157 Ų | 157 | 107.7 Ų | 107.7 | 73% | 0.734 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -4.7 | -179.8 | -62.4 | 176.2 | 144.9 | 0 | 0 | 113.6 | I267 G273 | I267-E271 PolarHBondContact O-N 3.41Å; E271-G273 PolarHBondContact O-N 2.94Å |
| 272 | G | 34.5 | Very low | 38.8 | Very low | 76 Ų | 76 | 112.2 Ų | 112.2 | 78% | 0.784 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | 16.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | A270 | A270-G272 PolarHBondContact O-N 3.14Š|
| 273 | G | 29.2 | Very low | 37.8 | Very low | 50 Ų | 50 | 115.1 Ų | 115.1 | 52% | 0.515 | 68% | 0.679 | S | S | . | * | S | Bend | trans | -161.8 | 163.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | E271 | E271-G273 PolarHBondContact O-N 2.94Š|
| 274 | T | 29.2 | Very low | 36.9 | Very low | 144 Ų | 144 | 116.9 Ų | 116.9 | 88% | 0.883 | 70% | 0.695 | S | S | * | * | trans | 68.1 | 68.5 | 177.9 | 60.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 275 | T | 29.2 | Very low | 36 | Very low | 129 Ų | 129 | 117.5 Ų | 117.5 | 79% | 0.791 | 72% | 0.717 | S | S | * | * | trans | -115.2 | 171.9 | 133.1 | 51.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 276 | D | 31.1 | Very low | 35.3 | Very low | 162 Ų | 162 | 122.2 Ų | 122.2 | 87% | 0.866 | 73% | 0.732 | S | S | * | * | trans | 67.8 | 70.1 | 179.3 | -54.2 | -14.3 | 0 | 0 | 0 | 116.2 | ||||
| 277 | A | 32 | Very low | 34.6 | Very low | 93 Ų | 93 | 123.2 Ų | 123.2 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | trans | -145 | 90.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 278 | N | 36.5 | Very low | 34.2 | Very low | 166 Ų | 166 | 123.6 Ų | 123.6 | 89% | 0.888 | 75% | 0.749 | S | S | * | * | trans | -158.7 | 108 | 168.3 | -94.2 | -35.1 | 0 | 0 | 0 | 109.8 | ||||
| 279 | T | 35.8 | Very low | 33.9 | Very low | 131 Ų | 131 | 124 Ų | 124 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | 161.4 | 98.9 | 148.5 | -67 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 280 | E | 36.6 | Very low | 33.5 | Very low | 180 Ų | 180 | 122.2 Ų | 122.2 | 84% | 0.841 | 76% | 0.756 | S | S | * | * | trans | 51.6 | 109.5 | 136.9 | -60.5 | 176.5 | 179.5 | 0 | 0 | 122.2 | ||||
| 281 | M | 34.1 | Very low | 33.3 | Very low | 153 Ų | 153 | 124.5 Ų | 124.5 | 75% | 0.754 | 77% | 0.765 | S | S | * | * | 85.4 | 102.4 | 117.1 | -149.3 | 158.7 | -176.1 | 0 | 0 | 121.9 | |||||
| 282 | E | 33.6 | Very low | 32.9 | Very low | 145 Ų | 145 | 125.8 Ų | 125.8 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | trans | 82.7 | 116 | 133.9 | -75.5 | -178.1 | 178.1 | 0 | 0 | 125.1 | ||||
| 283 | T | 30 | Very low | 32.7 | Very low | 115 Ų | 115 | 129.2 Ų | 129.2 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | 80.3 | 121 | 132.9 | 58.8 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 284 | S | 33.6 | Very low | 32.9 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | 66.3 | 165 | 145.5 | 69 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 285 | A | 31.3 | Very low | 32.8 | Very low | 93 Ų | 93 | 134.7 Ų | 134.7 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | cis | -174.8 | 159 | -35.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 286 | E | 30.9 | Very low | 32.9 | Very low | 167 Ų | 167 | 136.3 Ų | 136.3 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | cis | -156 | 168.5 | -7.2 | -144.2 | -130.9 | -94.2 | 0 | 0 | 111 | ||||
| 287 | S | 31.7 | Very low | 32.6 | Very low | 92 Ų | 92 | 139 Ų | 139 | 64% | 0.643 | 77% | 0.774 | S | S | * | * | trans | 66.8 | 169.2 | 162.2 | 95.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 288 | S | 32.8 | Very low | 32.4 | Very low | 95 Ų | 95 | 140.3 Ų | 140.3 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | cis | -160.5 | 156.2 | -5.5 | 26.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 289 | S | 37.6 | Very low | 32 | Very low | 115 Ų | 115 | 143.8 Ų | 143.8 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | 66.2 | 151.9 | 157.1 | 73.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 290 | S | 33.4 | Very low | 31.6 | Very low | 112 Ų | 112 | 145.4 Ų | 145.4 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | cis | -159.1 | 169.2 | -23.3 | 59.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 291 | P | 36.4 | Very low | 31.4 | Very low | 123 Ų | 123 | 143.7 Ų | 143.7 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | trans | -120.9 | 165.7 | -153.7 | 42.4 | -33.5 | 0 | 0 | 0 | 118.1 | ||||
| 292 | F | 31.9 | Very low | 31 | Very low | 184 Ų | 184 | 141.5 Ų | 141.5 | 81% | 0.807 | 77% | 0.77 | S | S | * | * | trans | -157.6 | 90.1 | 153.7 | -156.7 | -102.6 | 0 | 0 | 0 | 110.5 | ||||
| 293 | E | 30.9 | Very low | 30.6 | Very low | 148 Ų | 148 | 146.7 Ų | 146.7 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | 83 | 101.6 | 85.3 | -172.9 | 166.7 | -140.8 | 0 | 0 | 116.1 | |||||
| 294 | K | 32.6 | Very low | 30.5 | Very low | 210 Ų | 210 | 146 Ų | 146 | 91% | 0.913 | 78% | 0.783 | S | S | * | * | trans | -159.8 | 115.3 | 130.8 | -113.3 | 169.5 | -173.3 | 173.4 | 0 | 110.4 | ||||
| 295 | S | 26.3 | Very low | 30.1 | Very low | 98 Ų | 98 | 148.4 Ų | 148.4 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | trans | -86.4 | 125.6 | -172 | -172.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 296 | I | 31.1 | Very low | 29.8 | Very low | 163 Ų | 163 | 149.3 Ų | 149.3 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | trans | -114.5 | 113.1 | 155.9 | -62 | 179 | 0 | 0 | 0 | 106.5 | ||||
| 297 | R | 26.4 | Very low | 29.8 | Very low | 219 Ų | 219 | 146.8 Ų | 146.8 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 127.9 | -178.1 | -62.1 | -177.9 | -177.6 | -172.2 | 0.3 | 110.1 | R299 | R297-R299 PolarHBondContact O-N 3.25Š|
| 298 | P | 27 | Very low | 29.5 | Very low | 120 Ų | 120 | 147.1 Ų | 147.1 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 127.6 | 165.9 | 27.8 | -32.6 | 0 | 0 | 0 | 108.6 | I300 | P298-I300 PolarHBondContact O-N 3.15Š|
| 299 | R | 27.4 | Very low | 29.3 | Very low | 239 Ų | 239 | 147.7 Ų | 147.7 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -69 | 124 | 174.8 | -101.5 | -177.6 | 171.3 | 169.2 | -2.5 | 109 | R297 I301 | R297-R299 PolarHBondContact O-N 3.25Å; R299-I301 PolarHBondContact O-N 3.35Å |
| 300 | I | 28.4 | Very low | 28.9 | Very low | 166 Ų | 166 | 147.6 Ų | 147.6 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 118.2 | 177.2 | -62.4 | 169.1 | 0 | 0 | 0 | 108.6 | P298 | P298-I300 PolarHBondContact O-N 3.15Š|
| 301 | I | 31.1 | Very low | 28.6 | Very low | 143 Ų | 143 | 147.9 Ų | 147.9 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -74 | 129.9 | 172.2 | -59.8 | 173.7 | 0 | 0 | 0 | 107.8 | R299 R303 | R299-I301 PolarHBondContact O-N 3.35Å; I301-R303 PolarHBondContact O-N 3.17Å |
| 302 | P | 27.3 | Very low | 28.3 | Very low | 107 Ų | 107 | 149.1 Ų | 149.1 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 123.5 | 177.6 | 26.2 | -33.3 | 0 | 0 | 0 | 111 | S304 | P302-S304 PolarHBondContact O-N 2.89Š|
| 303 | R | 25.3 | Very low | 28.3 | Very low | 255 Ų | 255 | 146.3 Ų | 146.3 | 96% | 0.962 | 77% | 0.771 | S | S | * | * | trans | -76.4 | 85.4 | 176.8 | -75.5 | 178.1 | 164.6 | 146.3 | -6.7 | 110.9 | I301 | I301-R303 PolarHBondContact O-N 3.17Š| ||
| 304 | S | 26.2 | Very low | 28.4 | Very low | 99 Ų | 99 | 144 Ų | 144 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | trans | -155.4 | 51.2 | 174.5 | 67.2 | 0 | 0 | 0 | 0 | 115.4 | P302 | P302-S304 PolarHBondContact O-N 2.89Š| ||
| 305 | M | 27 | Very low | 28.7 | Very low | 168 Ų | 168 | 140.9 Ų | 140.9 | 83% | 0.828 | 76% | 0.76 | S | S | * | * | trans | -147.5 | 93.6 | 152.4 | -76.9 | -150.5 | 79.8 | 0 | 0 | 110.1 | V307 | M305-V307 HydrophobicContact CB-CG2 4.41Å; M305-V307 HydrophobicContact CE-CG2 4.33Å; M305-V307 PolarHBondContact O-N 3.33Å | ||
| 306 | S | 25 | Very low | 29.5 | Very low | 113 Ų | 113 | 139.6 Ų | 139.6 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | trans | -78.3 | 87.9 | 167 | 50.5 | 0 | 0 | 0 | 0 | 109.2 | S308 | S306-S308 PolarHBondContact O-N 3.33Š| ||
| 307 | V | 29.3 | Very low | 30.5 | Very low | 113 Ų | 113 | 138 Ų | 138 | 69% | 0.685 | 74% | 0.744 | S | S | * | * | trans | -81.5 | 71.4 | 171.8 | -171.5 | 0 | 0 | 0 | 0 | 108.9 | M305 N309 | M305-V307 HydrophobicContact CB-CG2 4.41Å; M305-V307 HydrophobicContact CE-CG2 4.33Å; M305-V307 PolarHBondContact O-N 3.33Å; V307-N309 VanDerWaalsContact C-N 3.27Å; V307-N309 PolarHBondContact O-N 2.82Å; V307-N309 VanDerWaalsContact O-N 3.1Å | ||
| 308 | S | 25.6 | Very low | 32.2 | Very low | 100 Ų | 100 | 129.9 Ų | 129.9 | 70% | 0.699 | 72% | 0.72 | S | S | * | * | trans | -74.2 | 86.4 | 160.5 | 53.4 | 0 | 0 | 0 | 0 | 108.2 | S306 | S306-S308 PolarHBondContact O-N 3.33Š| ||
| 309 | N | 29 | Very low | 33.8 | Very low | 106 Ų | 106 | 130.8 Ų | 130.8 | 57% | 0.567 | 71% | 0.714 | S | S | * | * | trans | -169.2 | 125.6 | 146.3 | -97.1 | -5.1 | 0 | 0 | 0 | 109.8 | V307 E311 | V307-N309 VanDerWaalsContact C-N 3.27Å; V307-N309 PolarHBondContact O-N 2.82Å; V307-N309 VanDerWaalsContact O-N 3.1Å; N309-E311 HydrophobicContact CB-CB 4.32Å; N309-E311 HydrophobicContact CB-CG 3.9Å; N309-E311 PolarHBondContact ND2-OE1 3.41Å; N309-E311 PolarHBondContact O-N 3.03Å | ||
| 310 | A | 28.6 | Very low | 35.3 | Very low | 114 Ų | 114 | 125.2 Ų | 125.2 | 94% | 0.942 | 69% | 0.693 | S | S | * | * | trans | -80.1 | 54 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | T312 | A310-T312 PolarHBondContact O-N 3.11Š| ||
| 311 | E | 28.8 | Very low | 36.8 | Very low | 117 Ų | 117 | 118.4 Ų | 118.4 | 55% | 0.547 | 66% | 0.66 | S | S | . | * | trans | -73 | 122.5 | 179.4 | -93 | 165.5 | -164.9 | 0 | 0 | 110.4 | N309 L313 | N309-E311 HydrophobicContact CB-CB 4.32Å; N309-E311 HydrophobicContact CB-CG 3.9Å; N309-E311 PolarHBondContact ND2-OE1 3.41Å; N309-E311 PolarHBondContact O-N 3.03Å; E311-L313 HydrophobicContact CB-CD1 3.85Å; E311-L313 HydrophobicContact CB-CG 4.11Å; E311-L313 PolarHBondContact O-N 3.13Å | ||
| 312 | T | 28.7 | Very low | 38.2 | Very low | 149 Ų | 149 | 116 Ų | 116 | 91% | 0.914 | 65% | 0.651 | S | S | * | * | trans | -64 | 82.1 | 167.9 | 46.9 | 0 | 0 | 0 | 0 | 110.3 | A310 | A310-T312 PolarHBondContact O-N 3.11Š| ||
| 313 | L | 32.3 | Very low | 39.7 | Very low | 126 Ų | 126 | 113.9 Ų | 113.9 | 66% | 0.66 | 63% | 0.632 | S | S | * | * | trans | -96.7 | 104.1 | -175.3 | -90.6 | 156.1 | 0 | 0 | 0 | 111.8 | E311 E315 | E311-L313 HydrophobicContact CB-CD1 3.85Å; E311-L313 HydrophobicContact CB-CG 4.11Å; E311-L313 PolarHBondContact O-N 3.13Å; L313-E315 PolarHBondContact O-N 3.4Å | ||
| 314 | S | 32.2 | Very low | 41.5 | Very low | 98 Ų | 98 | 103.3 Ų | 103.3 | 69% | 0.685 | 60% | 0.596 | S | S | * | * | trans | -7.2 | 103.5 | 167.8 | 57 | 0 | 0 | 0 | 0 | 116.1 | S316 | S314-S316 PolarHBondContact O-N 3.33Å; S314-S316 VanDerWaalsContact O-N 3.16Å | ||
| 315 | E | 38.9 | Very low | 43 | Very low | 146 Ų | 146 | 100 Ų | 100 | 68% | 0.682 | 57% | 0.574 | S | S | * | * | trans | -78.7 | 5.1 | -171.2 | -125.2 | -152.4 | 119.2 | 0 | 0 | 115.5 | R253 L313 | R253-E315 IonicContact CZ-OE1 3.17Å; R253-E315 IonicContact NH1-OE1 2.79Å; R253-E315 PolarHBondContact NH1-OE1 2.98Å; R253-E315 PolarHBondContact NH2-O 2.92Å; R253-E315 IonicContact NH2-OE1 2.83Å; R253-E315 PolarHBondContact NH2-OE1 3.06Å; L313-E315 PolarHBondContact O-N 3.4Å | ||
| 316 | S | 44.7 | Very low | 44.5 | Very low | 70 Ų | 70 | 95.2 Ų | 95.2 | 49% | 0.49 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -83.2 | -55.9 | -163.8 | 53.3 | 0 | 0 | 0 | 0 | 115.1 | S314 | S314-S316 PolarHBondContact O-N 3.33Å; S314-S316 VanDerWaalsContact O-N 3.16Å |
| 317 | D | 52.3 | Low | 46.2 | Very low | 130 Ų | 130 | 96.2 Ų | 96.2 | 70% | 0.695 | 55% | 0.548 | S | S | * | . | trans | -116.9 | 86.6 | -153.2 | -68.2 | -72.6 | 0 | 0 | 0 | 115.4 | H319 | D317-H319 PolarHBondContact O-N 3.42Š| ||
| 318 | C | 61.6 | Low | 47.6 | Very low | 48 Ų | 48 | 90.9 Ų | 90.9 | 32% | 0.324 | 52% | 0.516 | S | S | . | . | trans | -80.5 | 96.4 | 165.2 | -170.2 | 0 | 0 | 0 | 0 | 111.2 | R320 C321 V322 | C318-R320 PolarHBondContact O-N 3.29Å; C318-C321 HydrophobicContact CB-CB 4.2Å; C318-C321 WeakPolarHBondContact O-CB 3.25Å; C318-C321 PolarHBondContact O-N 3.1Å; C318-V322 PolarHBondContact O-N 3.27Å | ||
| 319 | H | 60.5 | Low | 49.2 | Very low | 140 Ų | 140 | 90 Ų | 90 | 65% | 0.648 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -43.9 | -42.8 | 177.2 | -175.4 | -78.9 | 0 | 0 | 0 | 113.6 | D317 C321 V322 E323 | D317-H319 PolarHBondContact O-N 3.42Å; H319-C321 VanDerWaalsContact C-N 3.3Å; H319-C321 PolarHBondContact O-N 3.4Å; H319-V322 PolarHBondContact O-N 2.54Å; H319-E323 WeakPolarHBondContact O-CB 3.41Å; H319-E323 PolarHBondContact O-N 3.02Å |
| 320 | R | 59.5 | Low | 50.5 | Low | 122 Ų | 122 | 95.9 Ų | 95.9 | 46% | 0.46 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.4 | -23.5 | -178.6 | -159.7 | 174.3 | -170.4 | 173.1 | 3.8 | 113.4 | C257 C318 T324 | C257-R320 HydrophobicContact CB-CB 4.3Å; C257-R320 HydrophobicContact CB-CG 4.14Å; C318-R320 PolarHBondContact O-N 3.29Å; R320-T324 VanDerWaalsContact O-CB 3.28Å; R320-T324 WeakPolarHBondContact O-CB 3.45Å; R320-T324 PolarHBondContact O-N 3.19Å; R320-T324 VanDerWaalsContact O-N 3.11Å; R320-T324 PolarHBondContact O-OG1 2.82Å |
| 321 | C | 59.8 | Low | 52 | Low | 23 Ų | 23 | 95.7 Ų | 95.7 | 16% | 0.155 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -78 | -48 | 172 | -65.2 | 0 | 0 | 0 | 0 | 110.9 | C257 C318 H319 E323 T324 A325 | C257-C321 VanDerWaalsContact CB-SG 3.59Å; C257-C321 PolarHBondContact N-SG 3.32Å; C257-C321 PolarHBondContact SG-SG 3.15Å; C318-C321 HydrophobicContact CB-CB 4.2Å; C318-C321 WeakPolarHBondContact O-CB 3.25Å; C318-C321 PolarHBondContact O-N 3.1Å; H319-C321 VanDerWaalsContact C-N 3.3Å; H319-C321 PolarHBondContact O-N 3.4Å; C321-E323 VanDerWaalsContact C-N 3.31Å; C321-E323 PolarHBondContact O-N 3.29Å; C321-T324 PolarHBondContact O-N 2.99Å; C321-T324 VanDerWaalsContact O-N 3.08Å; C321-A325 PolarHBondContact O-N 2.69Å |
| 322 | V | 58.7 | Low | 53.8 | Low | 91 Ų | 91 | 91.1 Ų | 91.1 | 55% | 0.552 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -56.4 | -46.6 | 175 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | C318 H319 T324 A325 A326 | C318-V322 PolarHBondContact O-N 3.27Å; H319-V322 PolarHBondContact O-N 2.54Å; V322-T324 PolarHBondContact O-N 2.9Å; V322-A325 WeakPolarHBondContact O-CB 3.36Å; V322-A325 PolarHBondContact O-N 3.11Å; V322-A326 PolarHBondContact O-N 2.87Å |
| 323 | E | 60.2 | Low | 56.1 | Low | 64 Ų | 64 | 84.6 Ų | 84.6 | 30% | 0.299 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.7 | -36.4 | 176.1 | -178.7 | 175.3 | -135.6 | 0 | 0 | 112.6 | H319 C321 A325 A326 R327 | H319-E323 WeakPolarHBondContact O-CB 3.41Å; H319-E323 PolarHBondContact O-N 3.02Å; C321-E323 VanDerWaalsContact C-N 3.31Å; C321-E323 PolarHBondContact O-N 3.29Å; E323-A325 VanDerWaalsContact C-N 3.34Å; E323-A326 PolarHBondContact O-N 3.03Å; E323-R327 VanDerWaalsContact CD-CZ 3.44Å; E323-R327 HydrophobicContact CG-CG 4.23Å; E323-R327 VanDerWaalsContact CG-NE 3.27Å; E323-R327 VanDerWaalsContact O-CB 3.27Å; E323-R327 WeakPolarHBondContact O-CB 3.06Å; E323-R327 WeakPolarHBondContact O-CG 3.07Å; E323-R327 PolarHBondContact O-N 2.8Å; E323-R327 IonicContact OE1-CZ 2.95Å; E323-R327 VanDerWaalsContact OE1-CZ 3.24Å; E323-R327 IonicContact OE1-NE 2.76Å; E323-R327 PolarHBondContact OE1-NE 3.38Å; E323-R327 IonicContact OE1-NH2 3.36Å; E323-R327 PolarHBondContact OE1-NH2 3.3Å; E323-R327 IonicContact OE2-CZ 3.04Å; E323-R327 IonicContact OE2-NH2 3.17Å |
| 324 | T | 62 | Low | 58.3 | Low | 33 Ų | 33 | 80.1 Ų | 80.1 | 20% | 0.202 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -64.9 | -40.1 | 174.5 | -64.6 | 0 | 0 | 0 | 0 | 111.2 | I255 R320 C321 V322 R327 A328 | I255-T324 HydrophobicContact CG2-CG2 3.92Å; R320-T324 VanDerWaalsContact O-CB 3.28Å; R320-T324 WeakPolarHBondContact O-CB 3.45Å; R320-T324 PolarHBondContact O-N 3.19Å; R320-T324 VanDerWaalsContact O-N 3.11Å; R320-T324 PolarHBondContact O-OG1 2.82Å; C321-T324 PolarHBondContact O-N 2.99Å; C321-T324 VanDerWaalsContact O-N 3.08Å; V322-T324 PolarHBondContact O-N 2.9Å; T324-R327 PolarHBondContact O-N 3.07Å; T324-A328 WeakPolarHBondContact O-CB 3.19Å; T324-A328 PolarHBondContact O-N 2.96Å |
| 325 | A | 58.5 | Low | 60.6 | Low | 28 Ų | 28 | 84.9 Ų | 84.9 | 23% | 0.231 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -63.2 | -48.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I255 C321 V322 E323 R327 A328 P329 | I255-A325 HydrophobicContact CD1-CB 3.58Å; I255-A325 HydrophobicContact CG2-CB 4.32Å; C321-A325 PolarHBondContact O-N 2.69Å; V322-A325 WeakPolarHBondContact O-CB 3.36Å; V322-A325 PolarHBondContact O-N 3.11Å; E323-A325 VanDerWaalsContact C-N 3.34Å; A325-R327 VanDerWaalsContact C-N 3.29Å; A325-R327 PolarHBondContact O-N 2.96Å; A325-A328 WeakPolarHBondContact O-CB 3.45Å; A325-A328 PolarHBondContact O-N 2.88Å; A325-A328 VanDerWaalsContact O-N 3.14Å; A325-P329 WeakPolarHBondContact O-CD 3.5Å |
| 326 | A | 57.7 | Low | 62.5 | Low | 69 Ų | 69 | 82 Ų | 82 | 57% | 0.57 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -63.3 | -32 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | V322 E323 | V322-A326 PolarHBondContact O-N 2.87Å; E323-A326 PolarHBondContact O-N 3.03Å |
| 327 | R | 60.9 | Low | 64.1 | Low | 134 Ų | 134 | 78.8 Ų | 78.8 | 51% | 0.506 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -81 | -19.1 | 175.3 | -69.9 | 172.9 | -178.8 | -159.8 | 3.8 | 113.3 | E323 T324 A325 R330 | E323-R327 VanDerWaalsContact CD-CZ 3.44Å; E323-R327 HydrophobicContact CG-CG 4.23Å; E323-R327 VanDerWaalsContact CG-NE 3.27Å; E323-R327 VanDerWaalsContact O-CB 3.27Å; E323-R327 WeakPolarHBondContact O-CB 3.06Å; E323-R327 WeakPolarHBondContact O-CG 3.07Å; E323-R327 PolarHBondContact O-N 2.8Å; E323-R327 IonicContact OE1-CZ 2.95Å; E323-R327 VanDerWaalsContact OE1-CZ 3.24Å; E323-R327 IonicContact OE1-NE 2.76Å; E323-R327 PolarHBondContact OE1-NE 3.38Å; E323-R327 IonicContact OE1-NH2 3.36Å; E323-R327 PolarHBondContact OE1-NH2 3.3Å; E323-R327 IonicContact OE2-CZ 3.04Å; E323-R327 IonicContact OE2-NH2 3.17Å; T324-R327 PolarHBondContact O-N 3.07Å; A325-R327 VanDerWaalsContact C-N 3.29Å; A325-R327 PolarHBondContact O-N 2.96Å; R327-R330 PolarHBondContact O-N 2.85Å; R327-R330 VanDerWaalsContact O-N 3.15Å |
| 328 | A | 59 | Low | 65.6 | Low | 1 Ų | 1 | 78.3 Ų | 78.3 | 1% | 0.008 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -58.8 | -47.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y25 L237 T324 A325 R330 K331 | Y25-A328 HydrophobicContact CD1-CB 3.86Å; Y25-A328 HydrophobicContact CE1-CB 3.28Å; L237-A328 HydrophobicContact CD1-CB 3.84Å; L237-A328 HydrophobicContact CD2-CB 3.75Å; L237-A328 HydrophobicContact CG-CB 4.42Å; T324-A328 WeakPolarHBondContact O-CB 3.19Å; T324-A328 PolarHBondContact O-N 2.96Å; A325-A328 WeakPolarHBondContact O-CB 3.45Å; A325-A328 PolarHBondContact O-N 2.88Å; A325-A328 VanDerWaalsContact O-N 3.14Å; A328-R330 PolarHBondContact O-N 3.26Å; A328-K331 PolarHBondContact O-N 2.72Å; A328-K331 VanDerWaalsContact O-N 3.15Å |
| 329 | P | 58.8 | Low | 66.6 | Low | 81 Ų | 81 | 84.4 Ų | 84.4 | 53% | 0.526 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.4 | -29.9 | 177.9 | -23.7 | 35.1 | 0 | 0 | 0 | 113.2 | A325 K331 | A325-P329 WeakPolarHBondContact O-CD 3.5Å; P329-K331 VanDerWaalsContact C-N 3.33Å; P329-K331 PolarHBondContact O-N 3.37Å |
| 330 | R | 56.7 | Low | 67.5 | Low | 230 Ų | 230 | 78.4 Ų | 78.4 | 87% | 0.868 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -75.4 | -17 | -178.6 | -59.6 | -174.2 | -178.3 | -175.9 | 0.8 | 113.7 | R327 A328 | R327-R330 PolarHBondContact O-N 2.85Å; R327-R330 VanDerWaalsContact O-N 3.15Å; A328-R330 PolarHBondContact O-N 3.26Å |
| 331 | K | 60 | Low | 68.5 | Low | 110 Ų | 110 | 72.8 Ų | 72.8 | 48% | 0.478 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -80.5 | -29.5 | 177.3 | -72.6 | 175.7 | 170.9 | -176.1 | 0 | 112.9 | Y25 A328 P329 | Y25-K331 VanDerWaalsContact OH-CD 3.24Å; Y25-K331 WeakPolarHBondContact OH-CD 3.31Å; A328-K331 PolarHBondContact O-N 2.72Å; A328-K331 VanDerWaalsContact O-N 3.15Å; P329-K331 VanDerWaalsContact C-N 3.33Å; P329-K331 PolarHBondContact O-N 3.37Å |
| 332 | G | 66.9 | Low | 69.5 | Low | 20 Ų | 20 | 74.5 Ų | 74.5 | 21% | 0.206 | 36% | 0.364 | C | S | . | . | trans | 61.4 | -170.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | F233 | F233-G332 WeakPolarHBondContact CE1-O 3.44Å; F233-G332 WeakPolarHBondContact CZ-O 3.44Å | ||
| 333 | L | 76 | Confident | 70.7 | Confident | 12 Ų | 12 | 75.1 Ų | 75.1 | 6% | 0.063 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -53.5 | 143.2 | -177.8 | -74.6 | 170 | 0 | 0 | 0 | 113.2 | C229 R230 F233 R338 L341 | C229-L333 HydrophobicContact CB-CD1 4.05Å; R230-L333 HydrophobicContact CB-CD1 4.07Å; R230-L333 HydrophobicContact CB-CG 4.34Å; F233-L333 HydrophobicContact CB-CD2 3.68Å; F233-L333 HydrophobicContact CD2-CD2 3.99Å; F233-L333 HydrophobicContact CG-CD2 3.85Å; L333-R338 PolarHBondContact O-NE 3.03Å; L333-R338 PolarHBondContact O-NH2 3.28Å; L333-L341 HydrophobicContact CD1-CD1 3.75Å |
| 334 | P | 78.9 | Confident | 71.5 | Confident | 32 Ų | 32 | 72.4 Ų | 72.4 | 21% | 0.208 | 35% | 0.353 | C | S | . | . | trans | -52.7 | 142.8 | 178.3 | -27.5 | 34.1 | 0 | 0 | 0 | 112.6 | A20 F233 I336 V337 R338 | A20-P334 HydrophobicContact CB-CG 4.02Å; F233-P334 HydrophobicContact CE2-CG 4.21Å; P334-I336 PolarHBondContact O-N 2.93Å; P334-V337 PolarHBondContact O-N 2.76Å; P334-V337 VanDerWaalsContact O-N 3.1Å; P334-R338 WeakPolarHBondContact O-CB 3.47Å; P334-R338 PolarHBondContact O-N 2.91Å | ||
| 335 | R | 81.4 | Confident | 72.2 | Confident | 199 Ų | 199 | 71.3 Ų | 71.3 | 75% | 0.751 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -50.9 | -33.5 | -177.5 | -69.5 | -176.3 | 176.6 | -169.3 | -1.3 | 113.4 | R339 | R335-R339 WeakPolarHBondContact O-CG 3.29Å; R335-R339 PolarHBondContact O-N 3.06Å |
| 336 | I | 79.2 | Confident | 73.2 | Confident | 84 Ų | 84 | 72.2 Ų | 72.2 | 43% | 0.431 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -68 | -55.3 | 178.9 | -72.4 | 169.1 | 0 | 0 | 0 | 111.4 | P334 R338 R339 S340 | P334-I336 PolarHBondContact O-N 2.93Å; I336-R338 VanDerWaalsContact C-N 3.31Å; I336-R338 PolarHBondContact O-N 2.86Å; I336-R339 PolarHBondContact O-N 3.28Å; I336-S340 PolarHBondContact O-N 3.29Å; I336-S340 PolarHBondContact O-OG 3.48Å |
| 337 | V | 76.8 | Confident | 74 | Confident | 3 Ų | 3 | 75.3 Ų | 75.3 | 2% | 0.018 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.4 | -39.9 | 178.8 | 178.5 | 0 | 0 | 0 | 0 | 111.1 | V16 L53 C57 P334 R339 S340 L341 | V16-V337 HydrophobicContact CG1-CG1 4.26Å; L53-V337 HydrophobicContact CB-CG2 4.12Å; C57-V337 HydrophobicContact CB-CG1 4.28Å; P334-V337 PolarHBondContact O-N 2.76Å; P334-V337 VanDerWaalsContact O-N 3.1Å; V337-R339 VanDerWaalsContact C-N 3.34Å; V337-R339 PolarHBondContact O-N 3.21Å; V337-S340 PolarHBondContact O-N 2.69Å; V337-L341 HydrophobicContact CG1-CD1 4.04Å; V337-L341 WeakPolarHBondContact O-CG 3.42Å; V337-L341 PolarHBondContact O-N 2.78Å; V337-L341 VanDerWaalsContact O-N 3.13Å |
| 338 | R | 83.9 | Confident | 74.4 | Confident | 120 Ų | 120 | 69 Ų | 69 | 45% | 0.453 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.5 | -34.7 | 179.3 | -162.9 | -163.2 | -47.2 | 170.3 | -1.3 | 113.4 | L333 P334 I336 A342 | L333-R338 PolarHBondContact O-NE 3.03Å; L333-R338 PolarHBondContact O-NH2 3.28Å; P334-R338 WeakPolarHBondContact O-CB 3.47Å; P334-R338 PolarHBondContact O-N 2.91Å; I336-R338 VanDerWaalsContact C-N 3.31Å; I336-R338 PolarHBondContact O-N 2.86Å; R338-A342 WeakPolarHBondContact O-CB 3.48Å; R338-A342 PolarHBondContact O-N 3Å; R338-A342 VanDerWaalsContact O-N 3.11Å |
| 339 | R | 83.8 | Confident | 74.9 | Confident | 176 Ų | 176 | 73.7 Ų | 73.7 | 66% | 0.664 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.9 | -54.7 | 173.3 | -80.4 | 172.2 | 175.9 | -177 | -3.8 | 110.2 | R335 I336 V337 L341 A342 D343 | R335-R339 WeakPolarHBondContact O-CG 3.29Å; R335-R339 PolarHBondContact O-N 3.06Å; I336-R339 PolarHBondContact O-N 3.28Å; V337-R339 VanDerWaalsContact C-N 3.34Å; V337-R339 PolarHBondContact O-N 3.21Å; R339-L341 PolarHBondContact O-N 2.98Å; R339-L341 VanDerWaalsContact O-N 3.11Å; R339-A342 CarbonylContact O-C 3.58Å; R339-A342 WeakPolarHBondContact O-CA 3.32Å; R339-A342 WeakPolarHBondContact O-CB 3.37Å; R339-A342 PolarHBondContact O-N 2.86Å; R339-D343 VanDerWaalsContact C-OD2 3.26Å; R339-D343 PolarHBondContact O-N 2.65Å |
| 340 | S | 78.9 | Confident | 75.4 | Confident | 14 Ų | 14 | 75.5 Ų | 75.5 | 10% | 0.098 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -51.7 | -39.6 | 178.6 | -48.3 | 0 | 0 | 0 | 0 | 113.4 | G54 L61 I336 V337 A344 | G54-S340 PolarHBondContact O-OG 2.83Å; L61-S340 WeakPolarHBondContact CD1-O 3.26Å; I336-S340 PolarHBondContact O-N 3.29Å; I336-S340 PolarHBondContact O-OG 3.48Å; V337-S340 PolarHBondContact O-N 2.69Å; S340-A344 VanDerWaalsContact O-CB 3.31Å; S340-A344 WeakPolarHBondContact O-CB 3.31Å; S340-A344 PolarHBondContact O-N 3.18Å; S340-A344 VanDerWaalsContact O-N 3.08Å |
| 341 | L | 80.8 | Confident | 75.7 | Confident | 5 Ų | 5 | 67.1 Ų | 67.1 | 3% | 0.026 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.9 | -45.1 | 173.9 | -72.5 | 162.7 | 0 | 0 | 0 | 113.1 | I13 L61 C229 L333 V337 R339 S345 | I13-L341 HydrophobicContact CD1-CD2 4.41Å; L61-L341 HydrophobicContact CD1-CD2 3.81Å; L61-L341 HydrophobicContact CD1-CG 4.26Å; L61-L341 HydrophobicContact CD2-CD2 4.08Å; L61-L341 HydrophobicContact CG-CD2 4.49Å; C229-L341 HydrophobicContact CB-CD1 4.08Å; L333-L341 HydrophobicContact CD1-CD1 3.75Å; V337-L341 HydrophobicContact CG1-CD1 4.04Å; V337-L341 WeakPolarHBondContact O-CG 3.42Å; V337-L341 PolarHBondContact O-N 2.78Å; V337-L341 VanDerWaalsContact O-N 3.13Å; R339-L341 PolarHBondContact O-N 2.98Å; R339-L341 VanDerWaalsContact O-N 3.11Å; L341-S345 WeakPolarHBondContact O-CB 3.45Å; L341-S345 PolarHBondContact O-N 3.07Å |
| 342 | A | 81.5 | Confident | 75.7 | Confident | 58 Ų | 58 | 63 Ų | 63 | 48% | 0.479 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.8 | -42 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R338 R339 S345 A346 | R338-A342 WeakPolarHBondContact O-CB 3.48Å; R338-A342 PolarHBondContact O-N 3Å; R338-A342 VanDerWaalsContact O-N 3.11Å; R339-A342 CarbonylContact O-C 3.58Å; R339-A342 WeakPolarHBondContact O-CA 3.32Å; R339-A342 WeakPolarHBondContact O-CB 3.37Å; R339-A342 PolarHBondContact O-N 2.86Å; A342-S345 WeakPolarHBondContact O-CB 3.46Å; A342-S345 PolarHBondContact O-N 3.14Å; A342-A346 WeakPolarHBondContact O-CB 3.47Å; A342-A346 PolarHBondContact O-N 3.36Å |
| 343 | D | 82.4 | Confident | 75.1 | Confident | 104 Ų | 104 | 65.4 Ų | 65.4 | 56% | 0.556 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -65.2 | -41.5 | 179.4 | -59.6 | -34.7 | 0 | 0 | 0 | 110.9 | R339 K347 | R339-D343 VanDerWaalsContact C-OD2 3.26Å; R339-D343 PolarHBondContact O-N 2.65Å; D343-K347 VanDerWaalsContact O-CB 3.22Å; D343-K347 WeakPolarHBondContact O-CB 3.48Å; D343-K347 PolarHBondContact O-N 2.99Å |
| 344 | A | 78 | Confident | 73.8 | Confident | 8 Ų | 8 | 72.4 Ų | 72.4 | 7% | 0.066 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L61 I65 P222 S340 K347 E348 | L61-A344 HydrophobicContact CB-CB 3.77Å; L61-A344 HydrophobicContact CD1-CB 3.71Å; L61-A344 HydrophobicContact CD2-CB 4.17Å; L61-A344 HydrophobicContact CG-CB 4.09Å; I65-A344 HydrophobicContact CD1-CB 4.09Å; P222-A344 HydrophobicContact CB-CB 4.24Å; P222-A344 HydrophobicContact CG-CB 4.49Å; S340-A344 VanDerWaalsContact O-CB 3.31Å; S340-A344 WeakPolarHBondContact O-CB 3.31Å; S340-A344 PolarHBondContact O-N 3.18Å; S340-A344 VanDerWaalsContact O-N 3.08Å; A344-K347 PolarHBondContact O-N 2.86Å; A344-E348 PolarHBondContact O-N 3.4Å |
| 345 | S | 76.7 | Confident | 72.5 | Confident | 10 Ų | 10 | 76.1 Ų | 76.1 | 7% | 0.07 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 176.3 | -176.5 | 0 | 0 | 0 | 0 | 112.2 | D223 L341 A342 E348 K349 | D223-S345 WeakPolarHBondContact OD1-CB 3.22Å; D223-S345 PolarHBondContact OD1-OG 3.37Å; L341-S345 WeakPolarHBondContact O-CB 3.45Å; L341-S345 PolarHBondContact O-N 3.07Å; A342-S345 WeakPolarHBondContact O-CB 3.46Å; A342-S345 PolarHBondContact O-N 3.14Å; S345-E348 PolarHBondContact O-N 2.77Å; S345-K349 WeakPolarHBondContact O-CB 3.3Å; S345-K349 WeakPolarHBondContact O-CD 3.23Å; S345-K349 VanDerWaalsContact O-CG 3.3Å; S345-K349 WeakPolarHBondContact O-CG 3.46Å; S345-K349 PolarHBondContact O-N 3.46Å; S345-K349 PolarHBondContact OG-NZ 2.89Å |
| 346 | A | 78.3 | Confident | 71.2 | Confident | 46 Ų | 46 | 71.7 Ų | 71.7 | 38% | 0.38 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A342 K349 N350 | A342-A346 WeakPolarHBondContact O-CB 3.47Å; A342-A346 PolarHBondContact O-N 3.36Å; A346-K349 PolarHBondContact O-N 3.35Å; A346-N350 VanDerWaalsContact O-CB 3.3Å; A346-N350 WeakPolarHBondContact O-CB 3.12Å; A346-N350 PolarHBondContact O-N 3.2Å; A346-N350 PolarHBondContact O-ND2 3.04Å |
| 347 | K | 74.7 | Confident | 69.9 | Low | 135 Ų | 135 | 72.2 Ų | 72.2 | 59% | 0.587 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63.7 | -43.8 | 177.5 | -172.6 | 171.4 | -175.5 | 171.7 | 0 | 112.4 | D343 A344 M351 | D343-K347 VanDerWaalsContact O-CB 3.22Å; D343-K347 WeakPolarHBondContact O-CB 3.48Å; D343-K347 PolarHBondContact O-N 2.99Å; A344-K347 PolarHBondContact O-N 2.86Å; K347-M351 WeakPolarHBondContact O-CB 3.24Å; K347-M351 PolarHBondContact O-N 2.91Å |
| 348 | E | 69.7 | Low | 68.8 | Low | 2 Ų | 2 | 74 Ų | 74 | 1% | 0.009 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -67.6 | -44.4 | 177.4 | -169.7 | 163.8 | 140 | 0 | 0 | 111.6 | R68 H221 P222 A344 S345 M351 F352 | R68-E348 IonicContact CZ-OE1 3.29Å; R68-E348 IonicContact NE-OE1 2.89Å; R68-E348 PolarHBondContact NE-OE1 3.19Å; R68-E348 IonicContact NE-OE2 2.76Å; R68-E348 PolarHBondContact NE-OE2 3.34Å; R68-E348 VanDerWaalsContact NE-OE2 3.09Å; R68-E348 IonicContact NH2-OE1 2.64Å; R68-E348 PolarHBondContact NH2-OE1 3.3Å; H221-E348 IonicContact CD2-OE1 2.77Å; H221-E348 PolarHBondContact CD2-OE1 3.39Å; H221-E348 IonicContact NE2-OE1 3.87Å; P222-E348 VanDerWaalsContact CD-CD 3.47Å; P222-E348 WeakPolarHBondContact CD-OE2 3.36Å; P222-E348 HydrophobicContact CG-CB 4.13Å; P222-E348 WeakPolarHBondContact CG-OE2 3.35Å; A344-E348 PolarHBondContact O-N 3.4Å; S345-E348 PolarHBondContact O-N 2.77Å; E348-M351 PolarHBondContact O-N 3.16Å; E348-F352 HydrophobicContact CG-CD2 3.43Å; E348-F352 VanDerWaalsContact CG-CD2 3.43Å; E348-F352 HydrophobicContact CG-CE2 3.58Å; E348-F352 PolarHBondContact O-N 3.21Å |
| 349 | K | 70.8 | Confident | 67.3 | Low | 99 Ų | 99 | 77.2 Ų | 77.2 | 43% | 0.43 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.7 | -47.9 | 175.8 | -76 | 164.6 | 179.6 | 151.7 | 0 | 112.2 | D223 S345 A346 S353 | D223-K349 IonicContact OD1-NZ 3.67Å; D223-K349 PolarHBondContact OD1-NZ 3.46Å; D223-K349 WeakPolarHBondContact OD2-CE 3.49Å; D223-K349 IonicContact OD2-NZ 2.69Å; D223-K349 PolarHBondContact OD2-NZ 2.91Å; S345-K349 WeakPolarHBondContact O-CB 3.3Å; S345-K349 WeakPolarHBondContact O-CD 3.23Å; S345-K349 VanDerWaalsContact O-CG 3.3Å; S345-K349 WeakPolarHBondContact O-CG 3.46Å; S345-K349 PolarHBondContact O-N 3.46Å; S345-K349 PolarHBondContact OG-NZ 2.89Å; A346-K349 PolarHBondContact O-N 3.35Å; K349-S353 VanDerWaalsContact O-CB 3.24Å; K349-S353 WeakPolarHBondContact O-CB 3.19Å; K349-S353 PolarHBondContact O-N 3.37Å |
| 350 | N | 68.8 | Low | 66.1 | Low | 119 Ų | 119 | 74.7 Ų | 74.7 | 64% | 0.636 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -60.6 | -50.9 | 176.8 | -73.5 | -12.9 | 0 | 0 | 0 | 111.2 | A346 F352 S353 | A346-N350 VanDerWaalsContact O-CB 3.3Å; A346-N350 WeakPolarHBondContact O-CB 3.12Å; A346-N350 PolarHBondContact O-N 3.2Å; A346-N350 PolarHBondContact O-ND2 3.04Å; N350-F352 PolarHBondContact O-N 3.3Å; N350-S353 PolarHBondContact O-N 3.06Å; N350-S353 PolarHBondContact O-OG 2.9Å |
| 351 | M | 62.2 | Low | 65 | Low | 53 Ų | 53 | 78 Ų | 78 | 26% | 0.261 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.8 | -46.8 | -176.8 | -178.1 | -178.8 | 70.4 | 0 | 0 | 112.8 | I65 Q69 K347 E348 F355 | I65-M351 HydrophobicContact CG2-CE 3.86Å; I65-M351 HydrophobicContact CG2-SD 4.47Å; Q69-M351 HydrophobicContact CG-CE 3.62Å; Q69-M351 HydrophobicContact CG-SD 3.81Å; Q69-M351 PolarHBondContact NE2-SD 3.36Å; K347-M351 WeakPolarHBondContact O-CB 3.24Å; K347-M351 PolarHBondContact O-N 2.91Å; E348-M351 PolarHBondContact O-N 3.16Å; M351-F355 WeakPolarHBondContact O-CD2 3.12Å |
| 352 | F | 60.7 | Low | 63.6 | Low | 23 Ų | 23 | 81.3 Ų | 81.3 | 10% | 0.101 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -88.2 | -10.8 | -178.1 | -70.1 | -70.8 | 0 | 0 | 0 | 114.6 | E348 N350 F354 F355 F356 | E348-F352 HydrophobicContact CG-CD2 3.43Å; E348-F352 VanDerWaalsContact CG-CD2 3.43Å; E348-F352 HydrophobicContact CG-CE2 3.58Å; E348-F352 PolarHBondContact O-N 3.21Å; N350-F352 PolarHBondContact O-N 3.3Å; F352-F354 PolarHBondContact O-N 2.95Å; F352-F355 HydrophobicContact CD1-CB 4.43Å; F352-F355 PolarHBondContact O-N 3.33Å; F352-F356 HydrophobicContact CB-CD2 3.41Å; F352-F356 VanDerWaalsContact CB-CD2 3.41Å; F352-F356 HydrophobicContact CB-CE2 3.39Å; F352-F356 HydrophobicContact CB-CG 4.35Å; F352-F356 HydrophobicContact CB-CZ 4.33Å; F352-F356 HydrophobicContact CD1-CE2 4.21Å; F352-F356 HydrophobicContact CD1-CZ 4.37Å; F352-F356 HydrophobicContact CD2-CE2 4.19Å; F352-F356 HydrophobicContact CG-CD2 4.23Å; F352-F356 AromaticContact CG-CE2 3.73Å; F352-F356 HydrophobicContact CG-CE2 3.73Å; F352-F356 HydrophobicContact CG-CZ 4.29Å; F352-F356 PolarHBondContact O-N 3.46Å |
| 353 | S | 52.9 | Low | 62.5 | Low | 71 Ų | 71 | 82.4 Ų | 82.4 | 50% | 0.497 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -51.9 | -41.3 | 176.8 | 64.5 | 0 | 0 | 0 | 0 | 112.7 | K349 N350 S357 | K349-S353 VanDerWaalsContact O-CB 3.24Å; K349-S353 WeakPolarHBondContact O-CB 3.19Å; K349-S353 PolarHBondContact O-N 3.37Å; N350-S353 PolarHBondContact O-N 3.06Å; N350-S353 PolarHBondContact O-OG 2.9Å; S353-S357 VanDerWaalsContact O-CB 3.23Å; S353-S357 WeakPolarHBondContact O-CB 3.39Å; S353-S357 PolarHBondContact O-N 3.01Å; S353-S357 PolarHBondContact O-OG 3.27Å |
| 354 | F | 50.1 | Low | 61.1 | Low | 159 Ų | 159 | 82.9 Ų | 82.9 | 70% | 0.697 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -69.3 | -38.5 | 176.5 | -174.4 | -100.8 | 0 | 0 | 0 | 113 | F352 S357 | F352-F354 PolarHBondContact O-N 2.95Å; F354-S357 PolarHBondContact O-OG 3.29Å |
| 355 | F | 52 | Low | 59.6 | Low | 110 Ų | 110 | 90.2 Ų | 90.2 | 48% | 0.482 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -75.3 | -55.6 | -180 | -70.4 | -81.6 | 0 | 0 | 0 | 111.8 | M351 F352 S357 S358 Y361 | M351-F355 WeakPolarHBondContact O-CD2 3.12Å; F352-F355 HydrophobicContact CD1-CB 4.43Å; F352-F355 PolarHBondContact O-N 3.33Å; F355-S357 VanDerWaalsContact C-N 3.31Å; F355-S357 PolarHBondContact O-N 3.31Å; F355-S358 WeakPolarHBondContact O-CB 3.3Å; F355-S358 PolarHBondContact O-N 3.41Å; F355-S358 VanDerWaalsContact O-N 3.13Å; F355-S358 PolarHBondContact O-OG 3.14Å; F355-Y361 HydrophobicContact CB-CD2 4.35Å; F355-Y361 WeakPolarHBondContact O-CB 3.29Å |
| 356 | F | 52.1 | Low | 58.6 | Low | 106 Ų | 106 | 97.7 Ų | 97.7 | 47% | 0.465 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.1 | -27.5 | -176.8 | -72.1 | -49 | 0 | 0 | 0 | 114.1 | F352 S358 Y361 | F352-F356 HydrophobicContact CB-CD2 3.41Å; F352-F356 VanDerWaalsContact CB-CD2 3.41Å; F352-F356 HydrophobicContact CB-CE2 3.39Å; F352-F356 HydrophobicContact CB-CG 4.35Å; F352-F356 HydrophobicContact CB-CZ 4.33Å; F352-F356 HydrophobicContact CD1-CE2 4.21Å; F352-F356 HydrophobicContact CD1-CZ 4.37Å; F352-F356 HydrophobicContact CD2-CE2 4.19Å; F352-F356 HydrophobicContact CG-CD2 4.23Å; F352-F356 AromaticContact CG-CE2 3.73Å; F352-F356 HydrophobicContact CG-CE2 3.73Å; F352-F356 HydrophobicContact CG-CZ 4.29Å; F352-F356 PolarHBondContact O-N 3.46Å; F356-S358 VanDerWaalsContact C-N 3.25Å; F356-S358 PolarHBondContact O-N 2.92Å; F356-Y361 AromaticContact CD1-CD1 3.68Å; F356-Y361 HydrophobicContact CD1-CD1 3.68Å; F356-Y361 AromaticContact CD1-CE1 3.42Å; F356-Y361 HydrophobicContact CD1-CE1 3.42Å; F356-Y361 VanDerWaalsContact CD1-CE1 3.42Å; F356-Y361 HydrophobicContact CD1-CE2 4.37Å; F356-Y361 HydrophobicContact CD1-CG 4.29Å; F356-Y361 AromaticContact CD1-CZ 3.82Å; F356-Y361 HydrophobicContact CE1-CD1 4.17Å; F356-Y361 AromaticContact CE1-CE1 3.43Å; F356-Y361 HydrophobicContact CE1-CE1 3.43Å; F356-Y361 VanDerWaalsContact CE1-CE1 3.43Å; F356-Y361 HydrophobicContact CE1-CE2 4.22Å; F356-Y361 AromaticContact CE1-CZ 3.47Å; F356-Y361 VanDerWaalsContact CE1-CZ 3.47Å |
| 357 | S | 52.1 | Low | 57.3 | Low | 96 Ų | 96 | 100.6 Ų | 100.6 | 67% | 0.671 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -16.4 | 176.3 | 59.3 | 0 | 0 | 0 | 0 | 113.4 | S353 F354 F355 | S353-S357 VanDerWaalsContact O-CB 3.23Å; S353-S357 WeakPolarHBondContact O-CB 3.39Å; S353-S357 PolarHBondContact O-N 3.01Å; S353-S357 PolarHBondContact O-OG 3.27Å; F354-S357 PolarHBondContact O-OG 3.29Å; F355-S357 VanDerWaalsContact C-N 3.31Å; F355-S357 PolarHBondContact O-N 3.31Å |
| 358 | S | 54.8 | Low | 56.1 | Low | 39 Ų | 39 | 97.9 Ų | 97.9 | 27% | 0.273 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -76.8 | 129.8 | 177.2 | 77 | 0 | 0 | 0 | 0 | 111.3 | F355 F356 L360 Y361 | F355-S358 WeakPolarHBondContact O-CB 3.3Å; F355-S358 PolarHBondContact O-N 3.41Å; F355-S358 VanDerWaalsContact O-N 3.13Å; F355-S358 PolarHBondContact O-OG 3.14Å; F356-S358 VanDerWaalsContact C-N 3.25Å; F356-S358 PolarHBondContact O-N 2.92Å; S358-L360 PolarHBondContact O-N 2.84Å; S358-L360 VanDerWaalsContact O-N 3.11Å; S358-Y361 PolarHBondContact O-N 2.95Å; S358-Y361 WeakPolarHBondContact OG-CB 3.42Å; S358-Y361 PolarHBondContact OG-N 2.89Å |
| 359 | K | 51.8 | Low | 55.1 | Low | 188 Ų | 188 | 102 Ų | 102 | 82% | 0.817 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -56.4 | -25.5 | 167.2 | -69.5 | -175.1 | 177.1 | -178.1 | 0 | 112 | T362 V363 | K359-T362 PolarHBondContact O-N 3.19Å; K359-V363 PolarHBondContact O-N 3.12Å |
| 360 | L | 59.3 | Low | 53.8 | Low | 124 Ų | 124 | 102 Ų | 102 | 65% | 0.649 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.4 | -43.2 | 175 | -169.5 | 68.6 | 0 | 0 | 0 | 111.9 | S358 T362 V363 M364 | S358-L360 PolarHBondContact O-N 2.84Å; S358-L360 VanDerWaalsContact O-N 3.11Å; L360-T362 VanDerWaalsContact C-N 3.35Å; L360-T362 PolarHBondContact O-N 2.7Å; L360-V363 PolarHBondContact O-N 3.29Å; L360-M364 HydrophobicContact CG-CG 4.4Å; L360-M364 WeakPolarHBondContact O-CB 3.43Å; L360-M364 VanDerWaalsContact O-CG 3.23Å; L360-M364 WeakPolarHBondContact O-CG 3.44Å; L360-M364 PolarHBondContact O-N 3.45Å |
| 361 | Y | 56 | Low | 52.8 | Low | 83 Ų | 83 | 107.9 Ų | 107.9 | 33% | 0.325 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 177.5 | -178.5 | -84 | 0 | 0 | 0 | 112 | F355 F356 S358 V363 M364 R365 | F355-Y361 HydrophobicContact CB-CD2 4.35Å; F355-Y361 WeakPolarHBondContact O-CB 3.29Å; F356-Y361 AromaticContact CD1-CD1 3.68Å; F356-Y361 HydrophobicContact CD1-CD1 3.68Å; F356-Y361 AromaticContact CD1-CE1 3.42Å; F356-Y361 HydrophobicContact CD1-CE1 3.42Å; F356-Y361 VanDerWaalsContact CD1-CE1 3.42Å; F356-Y361 HydrophobicContact CD1-CE2 4.37Å; F356-Y361 HydrophobicContact CD1-CG 4.29Å; F356-Y361 AromaticContact CD1-CZ 3.82Å; F356-Y361 HydrophobicContact CE1-CD1 4.17Å; F356-Y361 AromaticContact CE1-CE1 3.43Å; F356-Y361 HydrophobicContact CE1-CE1 3.43Å; F356-Y361 VanDerWaalsContact CE1-CE1 3.43Å; F356-Y361 HydrophobicContact CE1-CE2 4.22Å; F356-Y361 AromaticContact CE1-CZ 3.47Å; F356-Y361 VanDerWaalsContact CE1-CZ 3.47Å; S358-Y361 PolarHBondContact O-N 2.95Å; S358-Y361 WeakPolarHBondContact OG-CB 3.42Å; S358-Y361 PolarHBondContact OG-N 2.89Å; Y361-V363 VanDerWaalsContact C-N 3.32Å; Y361-V363 PolarHBondContact O-N 2.67Å; Y361-M364 PolarHBondContact O-N 3.16Å; Y361-R365 HydrophobicContact CE1-CB 4.34Å; Y361-R365 WeakPolarHBondContact O-CB 3.32Å; Y361-R365 PolarHBondContact O-N 3.02Å |
| 362 | T | 51.1 | Low | 52.2 | Low | 75 Ų | 75 | 111.8 Ų | 111.8 | 46% | 0.46 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59.8 | -42.4 | 175.5 | -53.8 | 0 | 0 | 0 | 0 | 111.6 | K359 L360 R365 Y366 | K359-T362 PolarHBondContact O-N 3.19Å; L360-T362 VanDerWaalsContact C-N 3.35Å; L360-T362 PolarHBondContact O-N 2.7Å; T362-R365 PolarHBondContact O-N 3Å; T362-Y366 HydrophobicContact CG2-CD2 4.48Å; T362-Y366 HydrophobicContact CG2-CE2 4.08Å; T362-Y366 WeakPolarHBondContact O-CD2 3.25Å; T362-Y366 PolarHBondContact O-N 3.08Å |
| 363 | V | 57.7 | Low | 51.7 | Low | 80 Ų | 80 | 114.5 Ų | 114.5 | 49% | 0.485 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66 | -44.9 | 174.5 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | K359 L360 Y361 R365 Y366 L367 | K359-V363 PolarHBondContact O-N 3.12Å; L360-V363 PolarHBondContact O-N 3.29Å; Y361-V363 VanDerWaalsContact C-N 3.32Å; Y361-V363 PolarHBondContact O-N 2.67Å; V363-R365 VanDerWaalsContact C-N 3.27Å; V363-R365 PolarHBondContact O-N 3.29Å; V363-Y366 PolarHBondContact O-N 3.33Å; V363-Y366 VanDerWaalsContact O-N 3.1Å; V363-L367 HydrophobicContact CG1-CD1 4.01Å; V363-L367 HydrophobicContact CG1-CG 4.43Å; V363-L367 WeakPolarHBondContact O-CG 3.29Å; V363-L367 PolarHBondContact O-N 3.48Å |
| 364 | M | 52.6 | Low | 52.1 | Low | 114 Ų | 114 | 114.7 Ų | 114.7 | 56% | 0.562 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -60.5 | -34.9 | 177 | -69.7 | -72.5 | -73.7 | 0 | 0 | 112.4 | L360 Y361 L367 S368 | L360-M364 HydrophobicContact CG-CG 4.4Å; L360-M364 WeakPolarHBondContact O-CB 3.43Å; L360-M364 VanDerWaalsContact O-CG 3.23Å; L360-M364 WeakPolarHBondContact O-CG 3.44Å; L360-M364 PolarHBondContact O-N 3.45Å; Y361-M364 PolarHBondContact O-N 3.16Å; M364-L367 CarbonylContact O-C 3.58Å; M364-L367 PolarHBondContact O-N 2.91Å; M364-L367 HydrophobicContact SD-CD1 4.47Å; M364-S368 PolarHBondContact O-N 3.32Å; M364-S368 PolarHBondContact O-OG 2.9Å |
| 365 | R | 46.2 | Very low | 52.3 | Low | 162 Ų | 162 | 114.7 Ų | 114.7 | 61% | 0.611 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.3 | -35.2 | 174.3 | 174.2 | 176 | 156.5 | 173.5 | -7.5 | 112.7 | Y361 T362 V363 S368 | Y361-R365 HydrophobicContact CE1-CB 4.34Å; Y361-R365 WeakPolarHBondContact O-CB 3.32Å; Y361-R365 PolarHBondContact O-N 3.02Å; T362-R365 PolarHBondContact O-N 3Å; V363-R365 VanDerWaalsContact C-N 3.27Å; V363-R365 PolarHBondContact O-N 3.29Å; R365-S368 WeakPolarHBondContact CA-OG 3.33Å; R365-S368 PolarHBondContact O-OG 3.38Å |
| 366 | Y | 56.1 | Low | 52.3 | Low | 167 Ų | 167 | 115.5 Ų | 115.5 | 66% | 0.655 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -72.3 | -36.2 | 171 | -74.5 | -68.7 | 0 | 0 | 0 | 111.9 | T362 V363 S368 L369 | T362-Y366 HydrophobicContact CG2-CD2 4.48Å; T362-Y366 HydrophobicContact CG2-CE2 4.08Å; T362-Y366 WeakPolarHBondContact O-CD2 3.25Å; T362-Y366 PolarHBondContact O-N 3.08Å; V363-Y366 PolarHBondContact O-N 3.33Å; V363-Y366 VanDerWaalsContact O-N 3.1Å; Y366-S368 VanDerWaalsContact C-N 3.27Å; Y366-S368 PolarHBondContact O-N 3.27Å; Y366-L369 WeakPolarHBondContact O-CB 3.29Å; Y366-L369 WeakPolarHBondContact O-CG 3.23Å; Y366-L369 PolarHBondContact O-N 3.11Å |
| 367 | L | 50.5 | Low | 52.5 | Low | 107 Ų | 107 | 112.5 Ų | 112.5 | 56% | 0.56 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -71.6 | -18.1 | 175.2 | -65.2 | 172.7 | 0 | 0 | 0 | 113.6 | V363 M364 L369 | V363-L367 HydrophobicContact CG1-CD1 4.01Å; V363-L367 HydrophobicContact CG1-CG 4.43Å; V363-L367 WeakPolarHBondContact O-CG 3.29Å; V363-L367 PolarHBondContact O-N 3.48Å; M364-L367 CarbonylContact O-C 3.58Å; M364-L367 PolarHBondContact O-N 2.91Å; M364-L367 HydrophobicContact SD-CD1 4.47Å; L367-L369 VanDerWaalsContact C-N 3.28Å; L367-L369 PolarHBondContact O-N 2.04Å |
| 368 | S | 50.6 | Low | 52.6 | Low | 79 Ų | 79 | 110.9 Ų | 110.9 | 55% | 0.552 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | 9.1 | 172.1 | 60.4 | 0 | 0 | 0 | 0 | 114.6 | M364 R365 Y366 | M364-S368 PolarHBondContact O-N 3.32Å; M364-S368 PolarHBondContact O-OG 2.9Å; R365-S368 WeakPolarHBondContact CA-OG 3.33Å; R365-S368 PolarHBondContact O-OG 3.38Å; Y366-S368 VanDerWaalsContact C-N 3.27Å; Y366-S368 PolarHBondContact O-N 3.27Å |
| 369 | L | 47.9 | Very low | 52.6 | Low | 88 Ų | 88 | 111.6 Ų | 111.6 | 46% | 0.461 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -62.7 | 151.1 | 161.9 | -74.7 | 167.8 | 0 | 0 | 0 | 109.9 | Y366 L367 W371 | Y366-L369 WeakPolarHBondContact O-CB 3.29Å; Y366-L369 WeakPolarHBondContact O-CG 3.23Å; Y366-L369 PolarHBondContact O-N 3.11Å; L367-L369 VanDerWaalsContact C-N 3.28Å; L367-L369 PolarHBondContact O-N 2.04Å; L369-W371 VanDerWaalsContact C-N 3.26Å; L369-W371 PolarHBondContact O-N 2.8Å |
| 370 | P | 43.9 | Very low | 52.8 | Low | 100 Ų | 100 | 105.1 Ų | 105.1 | 65% | 0.649 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | 21.2 | -136.5 | -23.3 | 36.4 | 0 | 0 | 0 | 119.1 | L504 | P370-L504 HydrophobicContact CG-CD2 4.48Š|
| 371 | W | 49.2 | Very low | 52.6 | Low | 241 Ų | 241 | 100.9 Ų | 100.9 | 91% | 0.913 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.7 | 1.1 | -163.2 | -97 | 57.8 | 0 | 0 | 0 | 117.2 | L369 | L369-W371 VanDerWaalsContact C-N 3.26Å; L369-W371 PolarHBondContact O-N 2.8Å |
| 372 | I | 48.6 | Very low | 52.8 | Low | 135 Ų | 135 | 103 Ų | 103 | 69% | 0.692 | 53% | 0.525 | S | S | * | . | trans | -135.6 | 97.5 | 171.7 | -50.9 | 178.9 | 0 | 0 | 0 | 110.6 | ||||
| 373 | L | 51.1 | Low | 53.1 | Low | 80 Ų | 80 | 103.2 Ų | 103.2 | 42% | 0.419 | 52% | 0.523 | S | S | . | . | trans | -66.8 | 136 | 153.4 | -99.3 | 82.4 | 0 | 0 | 0 | 108 | F375 L377 T378 | L373-F375 PolarHBondContact O-N 2.76Å; L373-L377 HydrophobicContact CD2-CB 4.48Å; L373-L377 HydrophobicContact CD2-CD2 4.06Å; L373-L377 HydrophobicContact CD2-CG 4.11Å; L373-L377 HydrophobicContact CG-CD2 4.21Å; L373-T378 HydrophobicContact CB-CG2 3.91Å; L373-T378 HydrophobicContact CD2-CG2 4.06Å | ||
| 374 | P | 61.4 | Low | 52.9 | Low | 75 Ų | 75 | 104.7 Ų | 104.7 | 49% | 0.487 | 52% | 0.523 | S | S | . | . | trans | -55.2 | 140.5 | 169.3 | -24.6 | 34.2 | 0 | 0 | 0 | 110.7 | D376 L377 T378 | P374-D376 PolarHBondContact O-N 3.5Å; P374-L377 HydrophobicContact CB-CB 4.27Å; P374-L377 WeakPolarHBondContact O-CA 3.32Å; P374-L377 WeakPolarHBondContact O-CB 3.37Å; P374-L377 PolarHBondContact O-N 3.3Å; P374-T378 PolarHBondContact O-N 2.87Å; P374-T378 PolarHBondContact O-OG1 2.85Å | ||
| 375 | F | 52.7 | Low | 53.2 | Low | 159 Ų | 159 | 102.3 Ų | 102.3 | 70% | 0.697 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -53.5 | -43.1 | -175.3 | -176.2 | -102.3 | 0 | 0 | 0 | 112.1 | L373 L377 T378 V379 | L373-F375 PolarHBondContact O-N 2.76Å; F375-L377 VanDerWaalsContact C-N 3.27Å; F375-L377 PolarHBondContact O-N 3.09Å; F375-T378 WeakPolarHBondContact CA-OG1 3.41Å; F375-T378 PolarHBondContact O-N 3.32Å; F375-T378 PolarHBondContact O-OG1 2.9Å; F375-V379 HydrophobicContact CD1-CG2 4.01Å; F375-V379 HydrophobicContact CE1-CG2 3.64Å; F375-V379 HydrophobicContact CE2-CG2 4.34Å; F375-V379 HydrophobicContact CZ-CG2 3.83Å; F375-V379 WeakPolarHBondContact O-CG2 3.39Å; F375-V379 PolarHBondContact O-N 2.98Å |
| 376 | D | 53 | Low | 53.5 | Low | 127 Ų | 127 | 97 Ų | 97 | 68% | 0.679 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.2 | -31.4 | 176.8 | -50.2 | -49.6 | 0 | 0 | 0 | 113 | P374 A380 | P374-D376 PolarHBondContact O-N 3.5Å; D376-A380 WeakPolarHBondContact O-CB 3.44Å; D376-A380 PolarHBondContact O-N 3.22Å |
| 377 | L | 55 | Low | 53.5 | Low | 43 Ų | 43 | 96.7 Ų | 96.7 | 23% | 0.225 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -77.2 | -38 | 177.2 | -167.6 | 65.7 | 0 | 0 | 0 | 111.2 | L373 P374 F375 T381 | L373-L377 HydrophobicContact CD2-CB 4.48Å; L373-L377 HydrophobicContact CD2-CD2 4.06Å; L373-L377 HydrophobicContact CD2-CG 4.11Å; L373-L377 HydrophobicContact CG-CD2 4.21Å; P374-L377 HydrophobicContact CB-CB 4.27Å; P374-L377 WeakPolarHBondContact O-CA 3.32Å; P374-L377 WeakPolarHBondContact O-CB 3.37Å; P374-L377 PolarHBondContact O-N 3.3Å; F375-L377 VanDerWaalsContact C-N 3.27Å; F375-L377 PolarHBondContact O-N 3.09Å; L377-T381 VanDerWaalsContact O-CB 3.26Å; L377-T381 WeakPolarHBondContact O-CB 3.49Å; L377-T381 PolarHBondContact O-N 3.42Å; L377-T381 PolarHBondContact O-OG1 3.35Å |
| 378 | T | 54.6 | Low | 53.5 | Low | 63 Ų | 63 | 98.6 Ų | 98.6 | 39% | 0.387 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 167.9 | 25.8 | 0 | 0 | 0 | 0 | 111.8 | L373 P374 F375 T381 F382 | L373-T378 HydrophobicContact CB-CG2 3.91Å; L373-T378 HydrophobicContact CD2-CG2 4.06Å; P374-T378 PolarHBondContact O-N 2.87Å; P374-T378 PolarHBondContact O-OG1 2.85Å; F375-T378 WeakPolarHBondContact CA-OG1 3.41Å; F375-T378 PolarHBondContact O-N 3.32Å; F375-T378 PolarHBondContact O-OG1 2.9Å; T378-T381 PolarHBondContact O-N 2.95Å; T378-F382 WeakPolarHBondContact O-CB 3.33Å; T378-F382 PolarHBondContact O-N 2.86Å |
| 379 | V | 55.4 | Low | 53.3 | Low | 54 Ų | 54 | 99.1 Ų | 99.1 | 33% | 0.327 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.3 | -44.3 | 177.6 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | F375 T381 F382 N383 | F375-V379 HydrophobicContact CD1-CG2 4.01Å; F375-V379 HydrophobicContact CE1-CG2 3.64Å; F375-V379 HydrophobicContact CE2-CG2 4.34Å; F375-V379 HydrophobicContact CZ-CG2 3.83Å; F375-V379 WeakPolarHBondContact O-CG2 3.39Å; F375-V379 PolarHBondContact O-N 2.98Å; V379-T381 VanDerWaalsContact C-N 3.29Å; V379-T381 PolarHBondContact O-N 3.1Å; V379-F382 PolarHBondContact O-N 2.88Å; V379-N383 WeakPolarHBondContact O-CB 3.42Å; V379-N383 VanDerWaalsContact O-CG 3.28Å; V379-N383 PolarHBondContact O-N 3.33Å |
| 380 | A | 56.1 | Low | 53.6 | Low | 51 Ų | 51 | 100.2 Ų | 100.2 | 42% | 0.421 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.5 | -33.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | D376 K384 | D376-A380 WeakPolarHBondContact O-CB 3.44Å; D376-A380 PolarHBondContact O-N 3.22Å; A380-K384 WeakPolarHBondContact O-CB 3.47Å; A380-K384 PolarHBondContact O-N 2.89Å |
| 381 | T | 55.8 | Low | 54.2 | Low | 35 Ų | 35 | 99.1 Ų | 99.1 | 22% | 0.215 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -72.7 | -44.4 | 174.1 | -55.7 | 0 | 0 | 0 | 0 | 111 | P77 L377 T378 V379 K384 I385 | P77-T381 HydrophobicContact CG-CG2 4.09Å; L377-T381 VanDerWaalsContact O-CB 3.26Å; L377-T381 WeakPolarHBondContact O-CB 3.49Å; L377-T381 PolarHBondContact O-N 3.42Å; L377-T381 PolarHBondContact O-OG1 3.35Å; T378-T381 PolarHBondContact O-N 2.95Å; V379-T381 VanDerWaalsContact C-N 3.29Å; V379-T381 PolarHBondContact O-N 3.1Å; T381-K384 PolarHBondContact O-N 3.33Å; T381-I385 HydrophobicContact CG2-CD1 4.05Å; T381-I385 VanDerWaalsContact O-CG1 3.3Å; T381-I385 WeakPolarHBondContact O-CG1 3.27Å; T381-I385 PolarHBondContact O-N 2.91Å |
| 382 | F | 58.5 | Low | 54.3 | Low | 128 Ų | 128 | 90.1 Ų | 90.1 | 56% | 0.561 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -63.7 | -46 | 178.6 | -173.4 | -99.1 | 0 | 0 | 0 | 111.8 | T378 V379 K384 I385 C386 | T378-F382 WeakPolarHBondContact O-CB 3.33Å; T378-F382 PolarHBondContact O-N 2.86Å; V379-F382 PolarHBondContact O-N 2.88Å; F382-K384 PolarHBondContact O-N 3.08Å; F382-I385 WeakPolarHBondContact O-CA 3.48Å; F382-I385 WeakPolarHBondContact O-CB 3.41Å; F382-I385 PolarHBondContact O-N 2.81Å; F382-C386 VanDerWaalsContact CE1-SG 3.54Å; F382-C386 PolarHBondContact O-N 2.84Å; F382-C386 PolarHBondContact O-SG 3.23Å; F382-C386 VanDerWaalsContact O-SG 3.35Å |
| 383 | N | 58.2 | Low | 54.7 | Low | 80 Ų | 80 | 86.1 Ų | 86.1 | 43% | 0.428 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 176.1 | -70.5 | -2.8 | 0 | 0 | 0 | 111.3 | V379 I385 C386 E387 | V379-N383 WeakPolarHBondContact O-CB 3.42Å; V379-N383 VanDerWaalsContact O-CG 3.28Å; V379-N383 PolarHBondContact O-N 3.33Å; N383-I385 VanDerWaalsContact C-N 3.26Å; N383-I385 PolarHBondContact O-N 3.33Å; N383-C386 PolarHBondContact O-N 3.41Å; N383-E387 WeakPolarHBondContact O-CB 3.48Å; N383-E387 WeakPolarHBondContact O-CG 3.23Å; N383-E387 PolarHBondContact O-N 3.26Å |
| 384 | K | 54.2 | Low | 55.4 | Low | 111 Ų | 111 | 86.6 Ų | 86.6 | 48% | 0.483 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.8 | -26.3 | 173.2 | -88 | -177.8 | 164.7 | 180 | 0 | 114.4 | P77 A380 T381 F382 R388 | P77-K384 PolarHBondContact O-NZ 2.7Å; A380-K384 WeakPolarHBondContact O-CB 3.47Å; A380-K384 PolarHBondContact O-N 2.89Å; T381-K384 PolarHBondContact O-N 3.33Å; F382-K384 PolarHBondContact O-N 3.08Å; K384-R388 VanDerWaalsContact O-CB 3.3Å; K384-R388 WeakPolarHBondContact O-CB 3.43Å |
| 385 | I | 58.4 | Low | 55.4 | Low | 64 Ų | 64 | 83.6 Ų | 83.6 | 33% | 0.328 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -74.9 | -50 | 171.8 | -70.8 | 163.7 | 0 | 0 | 0 | 109.1 | T381 F382 N383 R388 M389 | T381-I385 HydrophobicContact CG2-CD1 4.05Å; T381-I385 VanDerWaalsContact O-CG1 3.3Å; T381-I385 WeakPolarHBondContact O-CG1 3.27Å; T381-I385 PolarHBondContact O-N 2.91Å; F382-I385 WeakPolarHBondContact O-CA 3.48Å; F382-I385 WeakPolarHBondContact O-CB 3.41Å; F382-I385 PolarHBondContact O-N 2.81Å; N383-I385 VanDerWaalsContact C-N 3.26Å; N383-I385 PolarHBondContact O-N 3.33Å; I385-R388 CarbonylContact O-C 3.5Å; I385-R388 PolarHBondContact O-N 3.44Å; I385-R388 VanDerWaalsContact O-N 3.16Å; I385-M389 HydrophobicContact CG2-CE 4.08Å; I385-M389 HydrophobicContact CG2-CG 4.43Å; I385-M389 WeakPolarHBondContact O-CG 3.49Å; I385-M389 PolarHBondContact O-N 3.45Å |
| 386 | C | 52.3 | Low | 55.9 | Low | 49 Ų | 49 | 77 Ų | 77 | 33% | 0.331 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.2 | -47 | -178.8 | -69 | 0 | 0 | 0 | 0 | 113.4 | F382 N383 R388 M389 | F382-C386 VanDerWaalsContact CE1-SG 3.54Å; F382-C386 PolarHBondContact O-N 2.84Å; F382-C386 PolarHBondContact O-SG 3.23Å; F382-C386 VanDerWaalsContact O-SG 3.35Å; N383-C386 PolarHBondContact O-N 3.41Å; C386-R388 PolarHBondContact O-N 3.23Å; C386-R388 VanDerWaalsContact O-N 3.15Å; C386-M389 PolarHBondContact O-N 3.41Å |
| 387 | E | 56 | Low | 56.7 | Low | 162 Ų | 162 | 76 Ų | 76 | 76% | 0.757 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -23 | 175.9 | -72.8 | 175.3 | 172.5 | 0 | 0 | 112.9 | N383 | N383-E387 WeakPolarHBondContact O-CB 3.48Å; N383-E387 WeakPolarHBondContact O-CG 3.23Å; N383-E387 PolarHBondContact O-N 3.26Å |
| 388 | R | 50.6 | Low | 57.5 | Low | 146 Ų | 146 | 78.4 Ų | 78.4 | 55% | 0.551 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | -7 | -176.2 | -146.1 | 173.1 | -167.2 | 118.4 | -0.3 | 113.6 | K384 I385 C386 P390 S391 F392 | K384-R388 VanDerWaalsContact O-CB 3.3Å; K384-R388 WeakPolarHBondContact O-CB 3.43Å; I385-R388 CarbonylContact O-C 3.5Å; I385-R388 PolarHBondContact O-N 3.44Å; I385-R388 VanDerWaalsContact O-N 3.16Å; C386-R388 PolarHBondContact O-N 3.23Å; C386-R388 VanDerWaalsContact O-N 3.15Å; R388-P390 VanDerWaalsContact C-N 3.35Å; R388-P390 VanDerWaalsContact O-N 3.16Å; R388-S391 PolarHBondContact O-N 3.49Å; R388-S391 PolarHBondContact O-OG 3Å; R388-F392 WeakPolarHBondContact O-CB 3.49Å; R388-F392 PolarHBondContact O-N 2.97Å |
| 389 | M | 47.3 | Very low | 58.2 | Low | 91 Ų | 91 | 75.6 Ų | 75.6 | 45% | 0.448 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -47.3 | -43.8 | -174.6 | -93.8 | -166.3 | 178.4 | 0 | 0 | 115 | I385 C386 S391 F392 C393 | I385-M389 HydrophobicContact CG2-CE 4.08Å; I385-M389 HydrophobicContact CG2-CG 4.43Å; I385-M389 WeakPolarHBondContact O-CG 3.49Å; I385-M389 PolarHBondContact O-N 3.45Å; C386-M389 PolarHBondContact O-N 3.41Å; M389-S391 VanDerWaalsContact C-N 3.35Å; M389-S391 PolarHBondContact O-N 3.22Å; M389-F392 PolarHBondContact O-N 2.88Å; M389-C393 PolarHBondContact O-N 3.47Å; M389-C393 VanDerWaalsContact O-N 3.1Å; M389-C393 PolarHBondContact O-SG 3.05Å; M389-C393 VanDerWaalsContact O-SG 3.39Å |
| 390 | P | 53.2 | Low | 59.1 | Low | 110 Ų | 110 | 77.2 Ų | 77.2 | 71% | 0.714 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -58.8 | -39.4 | -175.7 | -27.3 | 36.2 | 0 | 0 | 0 | 114.5 | R388 | R388-P390 VanDerWaalsContact C-N 3.35Å; R388-P390 VanDerWaalsContact O-N 3.16Å |
| 391 | S | 56.7 | Low | 60 | Low | 77 Ų | 77 | 78.5 Ų | 78.5 | 54% | 0.538 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -97 | -23 | 177.1 | 56.5 | 0 | 0 | 0 | 0 | 113.2 | R388 M389 | R388-S391 PolarHBondContact O-N 3.49Å; R388-S391 PolarHBondContact O-OG 3Å; M389-S391 VanDerWaalsContact C-N 3.35Å; M389-S391 PolarHBondContact O-N 3.22Å |
| 392 | F | 52 | Low | 60.9 | Low | 53 Ų | 53 | 77.1 Ų | 77.1 | 23% | 0.232 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.9 | -42 | 174.8 | 178.5 | -95.2 | 0 | 0 | 0 | 112 | T145 R388 M389 D394 S396 | T145-F392 HydrophobicContact CG2-CE2 4.08Å; R388-F392 WeakPolarHBondContact O-CB 3.49Å; R388-F392 PolarHBondContact O-N 2.97Å; M389-F392 PolarHBondContact O-N 2.88Å; F392-D394 PolarHBondContact O-N 3.11Å; F392-S396 WeakPolarHBondContact O-CB 3.41Å; F392-S396 PolarHBondContact O-N 3.39Å; F392-S396 PolarHBondContact O-OG 3.13Å |
| 393 | C | 56.1 | Low | 61.5 | Low | 51 Ų | 51 | 72.6 Ų | 72.6 | 35% | 0.345 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -54.2 | -50.8 | -175.1 | -82.3 | 0 | 0 | 0 | 0 | 113.7 | M389 S396 K397 | M389-C393 PolarHBondContact O-N 3.47Å; M389-C393 VanDerWaalsContact O-N 3.1Å; M389-C393 PolarHBondContact O-SG 3.05Å; M389-C393 VanDerWaalsContact O-SG 3.39Å; C393-S396 PolarHBondContact O-OG 3.43Å; C393-K397 WeakPolarHBondContact O-CB 3.48Å; C393-K397 WeakPolarHBondContact O-CD 3.36Å; C393-K397 WeakPolarHBondContact O-CE 3.46Å; C393-K397 WeakPolarHBondContact O-CG 3.49Å; C393-K397 PolarHBondContact O-N 3.32Å |
| 394 | D | 64.9 | Low | 62.1 | Low | 89 Ų | 89 | 72.5 Ų | 72.5 | 48% | 0.476 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -86.8 | -27 | -169.2 | -61 | -27.4 | 0 | 0 | 0 | 113.5 | F392 K397 Q398 | F392-D394 PolarHBondContact O-N 3.11Å; D394-K397 IonicContact OD1-NZ 3.15Å; D394-K397 PolarHBondContact OD1-NZ 2.82Å; D394-Q398 WeakPolarHBondContact O-CG 3.3Å; D394-Q398 PolarHBondContact O-N 2.74Å; D394-Q398 PolarHBondContact O-NE2 3.45Å |
| 395 | A | 61.7 | Low | 62.8 | Low | 13 Ų | 13 | 72.8 Ų | 72.8 | 11% | 0.107 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -72 | -43.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q398 V399 | A395-Q398 PolarHBondContact O-N 2.69Å; A395-V399 WeakPolarHBondContact O-CG2 3.28Å; A395-V399 PolarHBondContact O-N 2.95Å; A395-V399 VanDerWaalsContact O-N 3.08Å |
| 396 | S | 62.7 | Low | 63.1 | Low | 19 Ų | 19 | 71.3 Ų | 71.3 | 13% | 0.133 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -70.2 | -34.1 | 178.9 | 64.7 | 0 | 0 | 0 | 0 | 112.8 | F392 C393 V399 L400 | F392-S396 WeakPolarHBondContact O-CB 3.41Å; F392-S396 PolarHBondContact O-N 3.39Å; F392-S396 PolarHBondContact O-OG 3.13Å; C393-S396 PolarHBondContact O-OG 3.43Å; S396-V399 PolarHBondContact O-N 3.44Å; S396-L400 VanDerWaalsContact O-CB 3.22Å; S396-L400 WeakPolarHBondContact O-CB 3.28Å; S396-L400 PolarHBondContact O-N 3Å |
| 397 | K | 71.3 | Confident | 63.2 | Low | 106 Ų | 106 | 74.6 Ų | 74.6 | 46% | 0.461 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -57.7 | -51.7 | 167.8 | -76.1 | 166.1 | -154.8 | 165 | 0 | 111.4 | C393 D394 V399 L400 D401 | C393-K397 WeakPolarHBondContact O-CB 3.48Å; C393-K397 WeakPolarHBondContact O-CD 3.36Å; C393-K397 WeakPolarHBondContact O-CE 3.46Å; C393-K397 WeakPolarHBondContact O-CG 3.49Å; C393-K397 PolarHBondContact O-N 3.32Å; D394-K397 IonicContact OD1-NZ 3.15Å; D394-K397 PolarHBondContact OD1-NZ 2.82Å; K397-V399 VanDerWaalsContact C-N 3.3Å; K397-V399 PolarHBondContact O-N 3.29Å; K397-L400 PolarHBondContact O-N 3.19Å; K397-L400 VanDerWaalsContact O-N 3.13Å; K397-D401 VanDerWaalsContact O-CB 3.28Å; K397-D401 WeakPolarHBondContact O-CB 3.4Å; K397-D401 VanDerWaalsContact O-CG 3.25Å; K397-D401 PolarHBondContact O-N 3.36Å |
| 398 | Q | 72.3 | Confident | 62.9 | Low | 94 Ų | 94 | 73 Ų | 73 | 44% | 0.439 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.2 | -40.6 | -180 | -75.8 | 170.5 | 81.5 | 0 | 0 | 112.6 | L112 D394 A395 F402 | L112-Q398 HydrophobicContact CD2-CB 4.14Å; D394-Q398 WeakPolarHBondContact O-CG 3.3Å; D394-Q398 PolarHBondContact O-N 2.74Å; D394-Q398 PolarHBondContact O-NE2 3.45Å; A395-Q398 PolarHBondContact O-N 2.69Å; Q398-F402 VanDerWaalsContact O-CB 3.23Å; Q398-F402 WeakPolarHBondContact O-CB 3.01Å; Q398-F402 PolarHBondContact O-N 2.69Å |
| 399 | V | 69.1 | Low | 62.5 | Low | 4 Ų | 4 | 71.5 Ų | 71.5 | 2% | 0.024 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66.3 | -43.5 | 174.1 | 168.5 | 0 | 0 | 0 | 0 | 112.1 | L112 P140 F141 P147 A395 S396 K397 F402 L403 | L112-V399 HydrophobicContact CD1-CG2 4.2Å; L112-V399 HydrophobicContact CD2-CG2 4.17Å; P140-V399 HydrophobicContact CB-CG1 3.58Å; P140-V399 HydrophobicContact CG-CG1 4.26Å; F141-V399 HydrophobicContact CD2-CG1 4.4Å; F141-V399 HydrophobicContact CE2-CG1 3.66Å; F141-V399 HydrophobicContact CZ-CG1 4.08Å; P147-V399 HydrophobicContact CG-CG2 4.16Å; A395-V399 WeakPolarHBondContact O-CG2 3.28Å; A395-V399 PolarHBondContact O-N 2.95Å; A395-V399 VanDerWaalsContact O-N 3.08Å; S396-V399 PolarHBondContact O-N 3.44Å; K397-V399 VanDerWaalsContact C-N 3.3Å; K397-V399 PolarHBondContact O-N 3.29Å; V399-F402 PolarHBondContact O-N 2.79Å; V399-L403 HydrophobicContact CG1-CD1 4.06Å; V399-L403 VanDerWaalsContact O-CG 3.29Å; V399-L403 WeakPolarHBondContact O-CG 3.35Å; V399-L403 PolarHBondContact O-N 3.29Å |
| 400 | L | 73.2 | Confident | 62.4 | Low | 88 Ų | 88 | 72.4 Ų | 72.4 | 46% | 0.461 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -69.1 | -45.6 | 179.8 | -176.7 | 61.9 | 0 | 0 | 0 | 111.3 | S396 K397 F402 L403 L404 | S396-L400 VanDerWaalsContact O-CB 3.22Å; S396-L400 WeakPolarHBondContact O-CB 3.28Å; S396-L400 PolarHBondContact O-N 3Å; K397-L400 PolarHBondContact O-N 3.19Å; K397-L400 VanDerWaalsContact O-N 3.13Å; L400-F402 VanDerWaalsContact C-N 3.28Å; L400-F402 PolarHBondContact O-N 3.5Å; L400-L403 PolarHBondContact O-N 2.75Å; L400-L404 HydrophobicContact CD1-CD1 4.29Å; L400-L404 HydrophobicContact CD1-CG 4.24Å; L400-L404 HydrophobicContact CG-CD1 3.93Å; L400-L404 HydrophobicContact CG-CG 4.32Å; L400-L404 WeakPolarHBondContact O-CB 3.34Å; L400-L404 VanDerWaalsContact O-CG 3.25Å; L400-L404 WeakPolarHBondContact O-CG 3.47Å; L400-L404 PolarHBondContact O-N 3.48Å |
| 401 | D | 76.4 | Confident | 61.4 | Low | 79 Ų | 79 | 71.8 Ų | 71.8 | 42% | 0.422 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.9 | -39.3 | 173.3 | -72.6 | -6.1 | 0 | 0 | 0 | 111.3 | K397 K405 | K397-D401 VanDerWaalsContact O-CB 3.28Å; K397-D401 WeakPolarHBondContact O-CB 3.4Å; K397-D401 VanDerWaalsContact O-CG 3.25Å; K397-D401 PolarHBondContact O-N 3.36Å; D401-K405 VanDerWaalsContact O-CB 3.29Å; D401-K405 WeakPolarHBondContact O-CB 3.29Å; D401-K405 VanDerWaalsContact O-CD 3.3Å; D401-K405 WeakPolarHBondContact O-CD 3.39Å; D401-K405 WeakPolarHBondContact O-CG 3.23Å; D401-K405 PolarHBondContact O-N 3.43Å |
| 402 | F | 74.7 | Confident | 60.2 | Low | 6 Ų | 6 | 74.3 Ų | 74.3 | 3% | 0.026 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.8 | -51.7 | 173.6 | 172.7 | -97.2 | 0 | 0 | 0 | 111.3 | T110 L112 G115 I156 W160 Q398 V399 L400 L404 K405 Q406 | T110-F402 HydrophobicContact CG2-CZ 4.14Å; L112-F402 HydrophobicContact CD1-CB 3.73Å; L112-F402 HydrophobicContact CD1-CD1 4.29Å; L112-F402 HydrophobicContact CD1-CD2 4.46Å; L112-F402 HydrophobicContact CD1-CG 3.88Å; L112-F402 WeakPolarHBondContact O-CD2 3.06Å; G115-F402 VanDerWaalsContact CA-CE2 3.5Å; I156-F402 HydrophobicContact CD1-CD1 3.86Å; I156-F402 HydrophobicContact CD1-CE1 3.36Å; I156-F402 HydrophobicContact CD1-CZ 3.95Å; W160-F402 HydrophobicContact CE3-CE1 4.27Å; Q398-F402 VanDerWaalsContact O-CB 3.23Å; Q398-F402 WeakPolarHBondContact O-CB 3.01Å; Q398-F402 PolarHBondContact O-N 2.69Å; V399-F402 PolarHBondContact O-N 2.79Å; L400-F402 VanDerWaalsContact C-N 3.28Å; L400-F402 PolarHBondContact O-N 3.5Å; F402-L404 PolarHBondContact O-N 2.89Å; F402-K405 PolarHBondContact O-N 2.96Å; F402-Q406 HydrophobicContact CD1-CG 4.43Å; F402-Q406 HydrophobicContact CE1-CG 3.84Å; F402-Q406 HydrophobicContact CE2-CG 3.96Å; F402-Q406 HydrophobicContact CZ-CG 3.59Å; F402-Q406 WeakPolarHBondContact O-CG 3.37Å; F402-Q406 PolarHBondContact O-N 3.4Å |
| 403 | L | 70.4 | Confident | 59.2 | Low | 32 Ų | 32 | 77.1 Ų | 77.1 | 17% | 0.168 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -64 | -40.5 | -179.9 | -68.7 | 169.8 | 0 | 0 | 0 | 111.8 | F141 W160 V399 L400 Q406 L407 | F141-L403 HydrophobicContact CD2-CD1 4.31Å; F141-L403 HydrophobicContact CE2-CD1 3.77Å; W160-L403 HydrophobicContact CE3-CD2 4.38Å; W160-L403 HydrophobicContact CH2-CD2 3.36Å; W160-L403 HydrophobicContact CZ2-CD2 4.07Å; W160-L403 HydrophobicContact CZ3-CD2 3.55Å; V399-L403 HydrophobicContact CG1-CD1 4.06Å; V399-L403 VanDerWaalsContact O-CG 3.29Å; V399-L403 WeakPolarHBondContact O-CG 3.35Å; V399-L403 PolarHBondContact O-N 3.29Å; L400-L403 PolarHBondContact O-N 2.75Å; L403-Q406 PolarHBondContact O-N 2.85Å; L403-L407 VanDerWaalsContact O-CG 3.28Å; L403-L407 WeakPolarHBondContact O-CG 3.23Å; L403-L407 PolarHBondContact O-N 3.36Å |
| 404 | L | 71.4 | Confident | 58 | Low | 79 Ų | 79 | 80.9 Ų | 80.9 | 41% | 0.414 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.2 | -44.8 | 174.2 | -71.8 | 174 | 0 | 0 | 0 | 111.4 | L400 F402 Q406 L407 D408 | L400-L404 HydrophobicContact CD1-CD1 4.29Å; L400-L404 HydrophobicContact CD1-CG 4.24Å; L400-L404 HydrophobicContact CG-CD1 3.93Å; L400-L404 HydrophobicContact CG-CG 4.32Å; L400-L404 WeakPolarHBondContact O-CB 3.34Å; L400-L404 VanDerWaalsContact O-CG 3.25Å; L400-L404 WeakPolarHBondContact O-CG 3.47Å; L400-L404 PolarHBondContact O-N 3.48Å; F402-L404 PolarHBondContact O-N 2.89Å; L404-Q406 VanDerWaalsContact C-N 3.32Å; L404-Q406 PolarHBondContact O-N 3.42Å; L404-L407 CarbonylContact O-C 3.51Å; L404-L407 PolarHBondContact O-N 3.01Å; L404-D408 PolarHBondContact O-N 2.81Å |
| 405 | K | 67.8 | Low | 56.2 | Low | 116 Ų | 116 | 80.3 Ų | 80.3 | 50% | 0.504 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -59.7 | -39.9 | 173.5 | -74.2 | 162.9 | -171.1 | 167 | 0 | 112.3 | D401 F402 L407 L409 | D401-K405 VanDerWaalsContact O-CB 3.29Å; D401-K405 WeakPolarHBondContact O-CB 3.29Å; D401-K405 VanDerWaalsContact O-CD 3.3Å; D401-K405 WeakPolarHBondContact O-CD 3.39Å; D401-K405 WeakPolarHBondContact O-CG 3.23Å; D401-K405 PolarHBondContact O-N 3.43Å; F402-K405 PolarHBondContact O-N 2.96Å; K405-L407 VanDerWaalsContact C-N 3.33Å; K405-L409 VanDerWaalsContact O-CB 3.28Å; K405-L409 WeakPolarHBondContact O-CB 3.47Å; K405-L409 WeakPolarHBondContact O-CD1 3.19Å; K405-L409 VanDerWaalsContact O-CG 3.26Å; K405-L409 WeakPolarHBondContact O-CG 3.46Å; K405-L409 PolarHBondContact O-N 3.04Å |
| 406 | Q | 64 | Low | 54.6 | Low | 34 Ų | 34 | 83.7 Ų | 83.7 | 16% | 0.159 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -65.5 | -35.8 | 174.3 | -66.3 | -59.6 | -47.2 | 0 | 0 | 112 | F402 L403 L404 H410 | F402-Q406 HydrophobicContact CD1-CG 4.43Å; F402-Q406 HydrophobicContact CE1-CG 3.84Å; F402-Q406 HydrophobicContact CE2-CG 3.96Å; F402-Q406 HydrophobicContact CZ-CG 3.59Å; F402-Q406 WeakPolarHBondContact O-CG 3.37Å; F402-Q406 PolarHBondContact O-N 3.4Å; L403-Q406 PolarHBondContact O-N 2.85Å; L404-Q406 VanDerWaalsContact C-N 3.32Å; L404-Q406 PolarHBondContact O-N 3.42Å; Q406-H410 PolarHBondContact O-CD2 3.21Å |
| 407 | L | 54.8 | Low | 53 | Low | 118 Ų | 118 | 89 Ų | 89 | 62% | 0.618 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -73.3 | -40.8 | 177 | -71 | 166.7 | 0 | 0 | 0 | 113 | L403 L404 K405 H410 | L403-L407 VanDerWaalsContact O-CG 3.28Å; L403-L407 WeakPolarHBondContact O-CG 3.23Å; L403-L407 PolarHBondContact O-N 3.36Å; L404-L407 CarbonylContact O-C 3.51Å; L404-L407 PolarHBondContact O-N 3.01Å; K405-L407 VanDerWaalsContact C-N 3.33Å; L407-H410 VanDerWaalsContact O-CB 3.25Å; L407-H410 WeakPolarHBondContact O-CB 3.43Å; L407-H410 PolarHBondContact O-N 2.88Å; L407-H410 VanDerWaalsContact O-N 3.08Å |
| 408 | D | 49.8 | Very low | 50.9 | Low | 128 Ų | 128 | 85.8 Ų | 85.8 | 68% | 0.684 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -68.7 | -34.2 | 176.2 | -77.9 | -28.9 | 0 | 0 | 0 | 111.7 | L404 H410 | L404-D408 PolarHBondContact O-N 2.81Å; D408-H410 PolarHBondContact O-N 2.78Å |
| 409 | L | 43.4 | Very low | 48.9 | Very low | 114 Ų | 114 | 83.3 Ų | 83.3 | 60% | 0.597 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | 7.2 | 169.1 | -76 | 168.3 | 0 | 0 | 0 | 114.1 | K405 R414 | K405-L409 VanDerWaalsContact O-CB 3.28Å; K405-L409 WeakPolarHBondContact O-CB 3.47Å; K405-L409 WeakPolarHBondContact O-CD1 3.19Å; K405-L409 VanDerWaalsContact O-CG 3.26Å; K405-L409 WeakPolarHBondContact O-CG 3.46Å; K405-L409 PolarHBondContact O-N 3.04Å; L409-R414 PolarHBondContact O-NE 3.4Å; L409-R414 PolarHBondContact O-NH2 2.89Å |
| 410 | H | 43.6 | Very low | 46.9 | Very low | 110 Ų | 110 | 84.4 Ų | 84.4 | 51% | 0.509 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 8 | -177.7 | -106.7 | -86.5 | 0 | 0 | 0 | 115 | Q406 L407 D408 R414 | Q406-H410 PolarHBondContact O-CD2 3.21Å; L407-H410 VanDerWaalsContact O-CB 3.25Å; L407-H410 WeakPolarHBondContact O-CB 3.43Å; L407-H410 PolarHBondContact O-N 2.88Å; L407-H410 VanDerWaalsContact O-N 3.08Å; D408-H410 PolarHBondContact O-N 2.78Å; H410-R414 VanDerWaalsContact CD2-CZ 3.48Å; H410-R414 PolarHBondContact CD2-NH2 2.99Å; H410-R414 VanDerWaalsContact CD2-NH2 3.25Å; H410-R414 PolarHBondContact CE1-NH1 3.43Å; H410-R414 VanDerWaalsContact NE2-CZ 3.27Å; H410-R414 PolarHBondContact NE2-NH1 2.89Å; H410-R414 PolarHBondContact NE2-NH2 2.94Å |
| 411 | S | 33.2 | Very low | 45 | Very low | 98 Ų | 98 | 83.7 Ų | 83.7 | 69% | 0.685 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -135 | 133.7 | 172.4 | -77 | 0 | 0 | 0 | 0 | 113.6 | ||
| 412 | P | 31.6 | Very low | 42.8 | Very low | 130 Ų | 130 | 83.3 Ų | 83.3 | 84% | 0.844 | 44% | 0.444 | S | S | * | . | S | Bend | cis | -134 | 78.5 | -14.4 | 37.3 | -16.9 | 0 | 0 | 0 | 112.1 | ||
| 413 | S | 30.4 | Very low | 40.7 | Very low | 111 Ų | 111 | 86.4 Ų | 86.4 | 78% | 0.776 | 47% | 0.471 | S | S | * | . | trans | -142.8 | 0.3 | -178.1 | 59.1 | 0 | 0 | 0 | 0 | 116.2 | T415 | S413-T415 PolarHBondContact O-N 2.72Š| ||
| 414 | R | 31.4 | Very low | 38.6 | Very low | 131 Ų | 131 | 87.7 Ų | 87.7 | 49% | 0.494 | 48% | 0.477 | S | S | . | . | trans | -75.9 | 112.9 | -177.5 | -64.2 | -163.6 | -169.4 | -176.4 | 11.9 | 111.9 | L409 H410 V416 | L409-R414 PolarHBondContact O-NE 3.4Å; L409-R414 PolarHBondContact O-NH2 2.89Å; H410-R414 VanDerWaalsContact CD2-CZ 3.48Å; H410-R414 PolarHBondContact CD2-NH2 2.99Å; H410-R414 VanDerWaalsContact CD2-NH2 3.25Å; H410-R414 PolarHBondContact CE1-NH1 3.43Å; H410-R414 VanDerWaalsContact NE2-CZ 3.27Å; H410-R414 PolarHBondContact NE2-NH1 2.89Å; H410-R414 PolarHBondContact NE2-NH2 2.94Å; R414-V416 PolarHBondContact O-N 3.02Å | ||
| 415 | T | 27 | Very low | 36.9 | Very low | 76 Ų | 76 | 89.7 Ų | 89.7 | 47% | 0.466 | 49% | 0.493 | S | S | . | . | trans | -58.1 | 116.7 | 162.5 | 48.2 | 0 | 0 | 0 | 0 | 110 | S413 K417 N482 | S413-T415 PolarHBondContact O-N 2.72Å; T415-K417 PolarHBondContact O-N 2.94Å; T415-N482 HydrophobicContact CG2-CB 4.42Å | ||
| 416 | V | 28.1 | Very low | 35.1 | Very low | 84 Ų | 84 | 92.6 Ų | 92.6 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | trans | -75.5 | 109.7 | 169.4 | -174.9 | 0 | 0 | 0 | 0 | 107.7 | R414 L418 | R414-V416 PolarHBondContact O-N 3.02Å; V416-L418 VanDerWaalsContact C-N 3.26Å; V416-L418 HydrophobicContact CG1-CD2 4.47Å; V416-L418 HydrophobicContact CG1-CG 4.12Å; V416-L418 PolarHBondContact O-N 2.88Å | ||
| 417 | K | 28.6 | Very low | 33.5 | Very low | 131 Ų | 131 | 95.1 Ų | 95.1 | 57% | 0.57 | 52% | 0.521 | S | S | * | . | trans | -75.4 | 80 | 179 | -163.8 | -164.1 | -178.2 | -165.5 | 0 | 110.3 | T415 M419 T480 | T415-K417 PolarHBondContact O-N 2.94Å; K417-M419 VanDerWaalsContact C-N 3.3Å; K417-M419 HydrophobicContact CD-CG 4.05Å; K417-M419 HydrophobicContact CD-SD 3.84Å; K417-M419 WeakPolarHBondContact CE-SD 3.28Å; K417-M419 HydrophobicContact CG-CG 4.17Å; K417-M419 PolarHBondContact NZ-SD 2.9Å; K417-M419 PolarHBondContact O-N 3.46Å; K417-T480 HydrophobicContact CG-CG2 4.34Å | ||
| 418 | L | 28.8 | Very low | 32.3 | Very low | 38 Ų | 38 | 96 Ų | 96 | 20% | 0.199 | 53% | 0.527 | C | S | . | . | trans | -70.1 | 82.7 | 173.3 | -75.8 | 166.8 | 0 | 0 | 0 | 110.6 | L194 V416 F479 V481 | L194-L418 HydrophobicContact CD2-CD2 3.71Å; V416-L418 VanDerWaalsContact C-N 3.26Å; V416-L418 HydrophobicContact CG1-CD2 4.47Å; V416-L418 HydrophobicContact CG1-CG 4.12Å; V416-L418 PolarHBondContact O-N 2.88Å; L418-F479 WeakPolarHBondContact O-CD2 3.27Å; L418-F479 WeakPolarHBondContact O-CE2 3.47Å; L418-V481 HydrophobicContact CB-CG2 4.35Å; L418-V481 HydrophobicContact CD1-CB 4.2Å; L418-V481 HydrophobicContact CD1-CG2 4.37Å | ||
| 419 | M | 28.4 | Very low | 31.6 | Very low | 43 Ų | 43 | 95.3 Ų | 95.3 | 21% | 0.212 | 52% | 0.518 | C | S | . | . | trans | -75.6 | 143.4 | 168.6 | -75.9 | 174.9 | 51.4 | 0 | 0 | 110.7 | L195 K417 | L195-M419 WeakPolarHBondContact CD1-O 3.41Å; K417-M419 VanDerWaalsContact C-N 3.3Å; K417-M419 HydrophobicContact CD-CG 4.05Å; K417-M419 HydrophobicContact CD-SD 3.84Å; K417-M419 WeakPolarHBondContact CE-SD 3.28Å; K417-M419 HydrophobicContact CG-CG 4.17Å; K417-M419 PolarHBondContact NZ-SD 2.9Å; K417-M419 PolarHBondContact O-N 3.46Å | ||
| 420 | C | 28.9 | Very low | 31.3 | Very low | 27 Ų | 27 | 93.9 Ų | 93.9 | 18% | 0.182 | 52% | 0.517 | C | S | . | . | trans | -138.9 | 72.3 | -175.5 | 177.2 | 0 | 0 | 0 | 0 | 109.3 | L422 F479 | C420-L422 PolarHBondContact O-N 3.08Å; C420-F479 HydrophobicContact CB-CD1 4.37Å; C420-F479 HydrophobicContact CB-CE1 3.49Å; C420-F479 VanDerWaalsContact CB-CE1 3.49Å; C420-F479 HydrophobicContact CB-CE2 4.03Å; C420-F479 HydrophobicContact CB-CZ 3.29Å | ||
| 421 | Q | 31.5 | Very low | 31.1 | Very low | 72 Ų | 72 | 95.7 Ų | 95.7 | 34% | 0.336 | 53% | 0.53 | S | S | . | . | trans | -62.7 | 132 | 176.5 | -69.5 | 179.1 | -41.2 | 0 | 0 | 111 | E180 N476 | E180-Q421 PolarHBondContact OE1-OE1 3.33Å; Q421-N476 PolarHBondContact NE2-OD1 3.36Å | ||
| 422 | L | 30.3 | Very low | 31.1 | Very low | 71 Ų | 71 | 95 Ų | 95 | 37% | 0.372 | 52% | 0.519 | S | S | . | . | trans | -112.5 | 96.6 | 173.1 | -175.3 | 73.3 | 0 | 0 | 0 | 108.9 | C420 I424 M568 | C420-L422 PolarHBondContact O-N 3.08Å; L422-I424 HydrophobicContact CD2-CG1 4.33Å; L422-I424 HydrophobicContact CG-CG1 4.37Å; L422-I424 PolarHBondContact O-N 3.29Å; L422-I424 VanDerWaalsContact O-N 3.12Å; L422-M568 HydrophobicContact CD2-SD 4.11Å | ||
| 423 | A | 30.8 | Very low | 31.4 | Very low | 71 Ų | 71 | 91.7 Ų | 91.7 | 59% | 0.587 | 50% | 0.499 | S | S | * | . | trans | -74.4 | 100.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | T425 | A423-T425 PolarHBondContact O-N 3.15Å; A423-T425 VanDerWaalsContact O-N 3.1Å | ||
| 424 | I | 28 | Very low | 31.9 | Very low | 60 Ų | 60 | 90 Ų | 90 | 31% | 0.308 | 49% | 0.487 | S | S | . | . | trans | -79.4 | 88.4 | 176.6 | -55.9 | 177.5 | 0 | 0 | 0 | 109.1 | L422 M427 | L422-I424 HydrophobicContact CD2-CG1 4.33Å; L422-I424 HydrophobicContact CG-CG1 4.37Å; L422-I424 PolarHBondContact O-N 3.29Å; L422-I424 VanDerWaalsContact O-N 3.12Å; I424-M427 HydrophobicContact CG2-CE 4Å; I424-M427 HydrophobicContact CG2-CG 4.16Å | ||
| 425 | T | 33.9 | Very low | 32.2 | Very low | 120 Ų | 120 | 88.9 Ų | 88.9 | 74% | 0.736 | 49% | 0.491 | S | S | * | . | trans | -88.6 | 117.7 | 171.7 | 56.1 | 0 | 0 | 0 | 0 | 110.7 | A423 | A423-T425 PolarHBondContact O-N 3.15Å; A423-T425 VanDerWaalsContact O-N 3.1Å | ||
| 426 | E | 30.9 | Very low | 32.7 | Very low | 178 Ų | 178 | 88 Ų | 88 | 83% | 0.832 | 49% | 0.485 | S | S | * | . | trans | 58.9 | 77.9 | 169 | -60.3 | -175.9 | -167.1 | 0 | 0 | 116.4 | ||||
| 427 | M | 29.5 | Very low | 33.2 | Very low | 87 Ų | 87 | 86.3 Ų | 86.3 | 43% | 0.429 | 48% | 0.48 | S | S | . | . | trans | -94.6 | 127.3 | 152.5 | -71.6 | -158.7 | -66.2 | 0 | 0 | 110 | I424 F429 | I424-M427 HydrophobicContact CG2-CE 4Å; I424-M427 HydrophobicContact CG2-CG 4.16Å; M427-F429 HydrophobicContact CB-CD2 4.32Å; M427-F429 HydrophobicContact CB-CE2 3.88Å; M427-F429 HydrophobicContact CB-CZ 4.2Å; M427-F429 HydrophobicContact CE-CE1 4.29Å; M427-F429 HydrophobicContact CE-CZ 3.83Å; M427-F429 VanDerWaalsContact O-CD2 3.23Å; M427-F429 WeakPolarHBondContact O-CD2 3.15Å; M427-F429 PolarHBondContact O-N 3.3Å | ||
| 428 | N | 30.8 | Very low | 33.7 | Very low | 137 Ų | 137 | 85 Ų | 85 | 73% | 0.733 | 48% | 0.479 | S | S | * | . | trans | -89.9 | 97.8 | 174.6 | -170.9 | 8 | 0 | 0 | 0 | 109.8 | S430 | N428-S430 PolarHBondContact O-N 3.4Å; N428-S430 VanDerWaalsContact O-N 3.08Å | ||
| 429 | F | 34.3 | Very low | 34 | Very low | 113 Ų | 113 | 88.8 Ų | 88.8 | 50% | 0.496 | 50% | 0.497 | S | S | . | . | G | 310 helix | trans | -69.7 | -1.6 | -170.6 | -73.3 | -93.3 | 0 | 0 | 0 | 115.3 | M427 N431 L432 | M427-F429 HydrophobicContact CB-CD2 4.32Å; M427-F429 HydrophobicContact CB-CE2 3.88Å; M427-F429 HydrophobicContact CB-CZ 4.2Å; M427-F429 HydrophobicContact CE-CE1 4.29Å; M427-F429 HydrophobicContact CE-CZ 3.83Å; M427-F429 VanDerWaalsContact O-CD2 3.23Å; M427-F429 WeakPolarHBondContact O-CD2 3.15Å; M427-F429 PolarHBondContact O-N 3.3Å; F429-N431 PolarHBondContact O-N 2.92Å; F429-L432 HydrophobicContact CB-CD1 4.49Å; F429-L432 HydrophobicContact CD1-CD1 4.01Å; F429-L432 PolarHBondContact O-N 3.28Å |
| 430 | S | 38.2 | Very low | 34.3 | Very low | 84 Ų | 84 | 91.8 Ų | 91.8 | 59% | 0.587 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -58.8 | -13 | -173.9 | 64.7 | 0 | 0 | 0 | 0 | 116.1 | N428 | N428-S430 PolarHBondContact O-N 3.4Å; N428-S430 VanDerWaalsContact O-N 3.08Å |
| 431 | N | 38 | Very low | 34.7 | Very low | 147 Ų | 147 | 95.4 Ų | 95.4 | 79% | 0.786 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -114.4 | 6.1 | -172.6 | -64.7 | 9.8 | 0 | 0 | 0 | 114 | F429 | F429-N431 PolarHBondContact O-N 2.92Š|
| 432 | L | 34 | Very low | 34.8 | Very low | 84 Ų | 84 | 98.1 Ų | 98.1 | 44% | 0.44 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -88.9 | 144.1 | 176.1 | -75.8 | 100.5 | 0 | 0 | 0 | 112.2 | F429 V436 | F429-L432 HydrophobicContact CB-CD1 4.49Å; F429-L432 HydrophobicContact CD1-CD1 4.01Å; F429-L432 PolarHBondContact O-N 3.28Å; L432-V436 HydrophobicContact CD2-CB 3.95Å; L432-V436 HydrophobicContact CD2-CG1 3.64Å |
| 433 | S | 38.1 | Very low | 35 | Very low | 61 Ų | 61 | 101.4 Ų | 101.4 | 43% | 0.427 | 56% | 0.555 | S | S | . | * | trans | -62.4 | 149.1 | 169.5 | -171.8 | 0 | 0 | 0 | 0 | 110.8 | D435 V436 A437 | S433-D435 PolarHBondContact O-N 3.27Å; S433-D435 VanDerWaalsContact O-N 3.08Å; S433-D435 PolarHBondContact OG-OD2 2.98Å; S433-V436 PolarHBondContact O-N 2.82Å; S433-A437 PolarHBondContact O-N 3.34Å | ||
| 434 | S | 40.5 | Very low | 35.2 | Very low | 75 Ų | 75 | 103.8 Ų | 103.8 | 52% | 0.524 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -47.8 | -36.3 | 172.5 | 44.7 | 0 | 0 | 0 | 0 | 112.9 | V436 A437 N438 | S434-V436 VanDerWaalsContact C-N 3.26Å; S434-V436 PolarHBondContact O-N 2.82Å; S434-A437 PolarHBondContact O-N 3.07Å; S434-N438 PolarHBondContact O-N 3.08Å; S434-N438 PolarHBondContact O-ND2 2.88Å |
| 435 | D | 37.5 | Very low | 35.5 | Very low | 108 Ų | 108 | 104.9 Ų | 104.9 | 58% | 0.578 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -70.6 | -25.5 | -173.7 | -37 | -45.2 | 0 | 0 | 0 | 112 | S433 M439 | S433-D435 PolarHBondContact O-N 3.27Å; S433-D435 VanDerWaalsContact O-N 3.08Å; S433-D435 PolarHBondContact OG-OD2 2.98Å; D435-M439 PolarHBondContact O-N 3.18Å |
| 436 | V | 37.5 | Very low | 35.6 | Very low | 58 Ų | 58 | 104.1 Ų | 104.1 | 35% | 0.352 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -85.1 | -35.8 | 176 | -165.7 | 0 | 0 | 0 | 0 | 110.8 | L432 S433 S434 M439 F440 | L432-V436 HydrophobicContact CD2-CB 3.95Å; L432-V436 HydrophobicContact CD2-CG1 3.64Å; S433-V436 PolarHBondContact O-N 2.82Å; S434-V436 VanDerWaalsContact C-N 3.26Å; S434-V436 PolarHBondContact O-N 2.82Å; V436-M439 WeakPolarHBondContact O-CB 3.44Å; V436-M439 PolarHBondContact O-N 3.24Å; V436-F440 HydrophobicContact CG1-CD2 4.28Å; V436-F440 HydrophobicContact CG1-CE2 4.04Å; V436-F440 WeakPolarHBondContact O-CD2 3.22Å; V436-F440 PolarHBondContact O-N 3.09Å |
| 437 | A | 38.1 | Very low | 35.8 | Very low | 48 Ų | 48 | 102.7 Ų | 102.7 | 40% | 0.397 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -59.9 | -51.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.1 | S433 S434 M439 F440 D441 | S433-A437 PolarHBondContact O-N 3.34Å; S434-A437 PolarHBondContact O-N 3.07Å; A437-M439 PolarHBondContact O-N 3.2Å; A437-M439 VanDerWaalsContact O-N 3.1Å; A437-F440 PolarHBondContact O-N 3.33Å; A437-D441 PolarHBondContact O-N 3.21Å; A437-D441 VanDerWaalsContact O-N 3.09Å |
| 438 | N | 39.4 | Very low | 35.7 | Very low | 102 Ų | 102 | 102.4 Ų | 102.4 | 55% | 0.545 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -56.7 | -28.3 | 175 | -69.6 | -21.9 | 0 | 0 | 0 | 113.2 | S434 L442 | S434-N438 PolarHBondContact O-N 3.08Å; S434-N438 PolarHBondContact O-ND2 2.88Å; N438-L442 PolarHBondContact O-N 3.46Å |
| 439 | M | 35.9 | Very low | 35.6 | Very low | 118 Ų | 118 | 103.5 Ų | 103.5 | 58% | 0.581 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -74.8 | -32.2 | 176.7 | -171.3 | 172.8 | -72.6 | 0 | 0 | 112.3 | D435 V436 A437 F443 | D435-M439 PolarHBondContact O-N 3.18Å; V436-M439 WeakPolarHBondContact O-CB 3.44Å; V436-M439 PolarHBondContact O-N 3.24Å; A437-M439 PolarHBondContact O-N 3.2Å; A437-M439 VanDerWaalsContact O-N 3.1Å; M439-F443 HydrophobicContact CG-CE2 4.24Å; M439-F443 WeakPolarHBondContact O-CD2 3.18Å |
| 440 | F | 34.5 | Very low | 35.3 | Very low | 106 Ų | 106 | 103.5 Ų | 103.5 | 47% | 0.465 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -73.7 | -39.9 | 173.1 | -81.9 | -75.3 | 0 | 0 | 0 | 112.4 | V436 A437 L442 F443 E444 | V436-F440 HydrophobicContact CG1-CD2 4.28Å; V436-F440 HydrophobicContact CG1-CE2 4.04Å; V436-F440 WeakPolarHBondContact O-CD2 3.22Å; V436-F440 PolarHBondContact O-N 3.09Å; A437-F440 PolarHBondContact O-N 3.33Å; F440-L442 PolarHBondContact O-N 3.28Å; F440-F443 PolarHBondContact O-N 2.95Å; F440-E444 PolarHBondContact O-N 3.18Å |
| 441 | D | 36.9 | Very low | 35 | Very low | 103 Ų | 103 | 105 Ų | 105 | 55% | 0.551 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -56.8 | -34.9 | 173.7 | -65.3 | -22.8 | 0 | 0 | 0 | 111.7 | A437 F443 | A437-D441 PolarHBondContact O-N 3.21Å; A437-D441 VanDerWaalsContact O-N 3.09Å; D441-F443 VanDerWaalsContact C-N 3.28Å; D441-F443 PolarHBondContact O-N 3.35Å |
| 442 | L | 34.6 | Very low | 34.6 | Very low | 130 Ų | 130 | 104.1 Ų | 104.1 | 68% | 0.681 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -69.3 | -22.4 | 176.6 | -148.4 | 80.1 | 0 | 0 | 0 | 113.6 | N438 F440 | N438-L442 PolarHBondContact O-N 3.46Å; F440-L442 PolarHBondContact O-N 3.28Å |
| 443 | F | 33.2 | Very low | 34.3 | Very low | 140 Ų | 140 | 111.8 Ų | 111.8 | 61% | 0.614 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -82.6 | -40.9 | 176.5 | -81.4 | -69.3 | 0 | 0 | 0 | 112.4 | M439 F440 D441 A445 T446 | M439-F443 HydrophobicContact CG-CE2 4.24Å; M439-F443 WeakPolarHBondContact O-CD2 3.18Å; F440-F443 PolarHBondContact O-N 2.95Å; D441-F443 VanDerWaalsContact C-N 3.28Å; D441-F443 PolarHBondContact O-N 3.35Å; F443-A445 PolarHBondContact O-N 2.87Å; F443-T446 PolarHBondContact O-N 3.07Å; F443-T446 PolarHBondContact O-OG1 2.78Å |
| 444 | E | 34.9 | Very low | 34 | Very low | 121 Ų | 121 | 113.6 Ų | 113.6 | 57% | 0.565 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -59.4 | -29.1 | 175.9 | -74.3 | -156.9 | 148.9 | 0 | 0 | 112.2 | F440 T446 M475 | F440-E444 PolarHBondContact O-N 3.18Å; E444-T446 PolarHBondContact O-N 2.75Å; E444-T446 VanDerWaalsContact O-N 3.14Å; E444-M475 HydrophobicContact CG-CE 3.56Å; E444-M475 WeakPolarHBondContact OE1-CE 3.24Å |
| 445 | A | 34.8 | Very low | 33.4 | Very low | 83 Ų | 83 | 121.2 Ų | 121.2 | 69% | 0.686 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -6.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | F443 | F443-A445 PolarHBondContact O-N 2.87Š|
| 446 | T | 36.4 | Very low | 32.9 | Very low | 103 Ų | 103 | 122.3 Ų | 122.3 | 63% | 0.632 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -14.7 | -172.7 | 61.4 | 0 | 0 | 0 | 0 | 115.9 | F443 E444 | F443-T446 PolarHBondContact O-N 3.07Å; F443-T446 PolarHBondContact O-OG1 2.78Å; E444-T446 PolarHBondContact O-N 2.75Å; E444-T446 VanDerWaalsContact O-N 3.14Å |
| 447 | D | 34.3 | Very low | 32.7 | Very low | 148 Ų | 148 | 128.7 Ų | 128.7 | 79% | 0.791 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -88.2 | 108.4 | 171.6 | -93.9 | -38.7 | 0 | 0 | 0 | 110.7 | L449 | D447-L449 PolarHBondContact O-N 2.78Š|
| 448 | G | 27.5 | Very low | 32.2 | Very low | 82 Ų | 82 | 131.9 Ų | 131.9 | 85% | 0.845 | 72% | 0.718 | S | S | * | * | trans | -72.8 | 70 | -161.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 449 | L | 28.2 | Very low | 31.6 | Very low | 160 Ų | 160 | 135.1 Ų | 135.1 | 84% | 0.838 | 74% | 0.735 | S | S | * | * | trans | -125.7 | 123.7 | 166.8 | -93.6 | 156.2 | 0 | 0 | 0 | 110.4 | D447 | D447-L449 PolarHBondContact O-N 2.78Š| ||
| 450 | P | 28.9 | Very low | 31.2 | Very low | 113 Ų | 113 | 135.5 Ų | 135.5 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -73 | 142.9 | -178.1 | 29.8 | -34.7 | 0 | 0 | 0 | 111.6 | ||
| 451 | P | 31.5 | Very low | 30.9 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 75% | 0.747 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 141.4 | 177.5 | 26.8 | -34.4 | 0 | 0 | 0 | 111.4 | ||
| 452 | P | 30.4 | Very low | 30.6 | Very low | 128 Ų | 128 | 137.9 Ų | 137.9 | 83% | 0.831 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 135.8 | 176 | 28.1 | -33.5 | 0 | 0 | 0 | 110.5 | A454 | P452-A454 PolarHBondContact O-N 2.89Š|
| 453 | R | 27.1 | Very low | 30.2 | Very low | 246 Ų | 246 | 137.6 Ų | 137.6 | 93% | 0.928 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -66 | 116.4 | 178.1 | -68.5 | 177.8 | 177 | 165.1 | -2.4 | 110.7 | ||
| 454 | A | 31.4 | Very low | 30 | Very low | 99 Ų | 99 | 135.4 Ų | 135.4 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 146.4 | 157.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | P452 | P452-A454 PolarHBondContact O-N 2.89Š|
| 455 | Y | 28.6 | Very low | 29.6 | Very low | 234 Ų | 234 | 135.1 Ų | 135.1 | 92% | 0.918 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 145.1 | 174.8 | -126.7 | -93.4 | 0 | 0 | 0 | 110.3 | ||
| 456 | D | 26.9 | Very low | 29.2 | Very low | 132 Ų | 132 | 136.3 Ų | 136.3 | 71% | 0.706 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 128.9 | -172.6 | -153.3 | -12.8 | 0 | 0 | 0 | 111.6 | ||
| 457 | Q | 32.3 | Very low | 28.8 | Very low | 192 Ų | 192 | 138.2 Ų | 138.2 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | trans | -156.3 | 101.3 | 157.2 | -121.9 | 172 | 27.3 | 0 | 0 | 110 | ||||
| 458 | T | 27.3 | Very low | 28.4 | Very low | 115 Ų | 115 | 134.5 Ų | 134.5 | 71% | 0.706 | 82% | 0.818 | S | S | * | * | trans | -74.5 | 133.4 | 176.8 | 53.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 459 | D | 28.1 | Very low | 28.3 | Very low | 169 Ų | 169 | 142 Ų | 142 | 90% | 0.904 | 82% | 0.821 | S | S | * | * | trans | -149.9 | 136 | 140.2 | -109.3 | -33.8 | 0 | 0 | 0 | 110.7 | ||||
| 460 | T | 26.3 | Very low | 28.2 | Very low | 126 Ų | 126 | 142.9 Ų | 142.9 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | trans | -97.3 | 143.3 | -175.8 | 53.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 461 | V | 29.8 | Very low | 28.1 | Very low | 126 Ų | 126 | 143.9 Ų | 143.9 | 76% | 0.764 | 83% | 0.827 | S | S | * | * | trans | -172.9 | 127.7 | 134 | 133.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 462 | T | 30.4 | Very low | 27.9 | Very low | 134 Ų | 134 | 143.2 Ų | 143.2 | 82% | 0.822 | 82% | 0.821 | S | S | * | * | trans | 59.1 | 145.9 | 161.8 | 54.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 463 | S | 25.8 | Very low | 27.8 | Very low | 123 Ų | 123 | 140.5 Ų | 140.5 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -90.3 | 135.3 | -179.3 | 54.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 464 | A | 28.5 | Very low | 27.8 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | trans | -132 | 135.1 | 152.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | S466 | A464-S466 PolarHBondContact O-N 3.02Å; A464-S466 VanDerWaalsContact O-N 3.09Å | ||
| 465 | A | 26.3 | Very low | 27.7 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 95% | 0.95 | 77% | 0.773 | S | S | * | * | trans | -77.1 | 97.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 466 | S | 27.7 | Very low | 27.7 | Very low | 109 Ų | 109 | 128.3 Ų | 128.3 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | trans | -93.5 | 132.3 | 170.7 | 53.6 | 0 | 0 | 0 | 0 | 110.9 | A464 G468 | A464-S466 PolarHBondContact O-N 3.02Å; A464-S466 VanDerWaalsContact O-N 3.09Å; S466-G468 PolarHBondContact O-N 3.06Å; S466-G468 VanDerWaalsContact O-N 3.08Å | ||
| 467 | T | 28 | Very low | 27.7 | Very low | 142 Ų | 142 | 128 Ų | 128 | 87% | 0.871 | 75% | 0.747 | S | S | * | * | trans | -73.2 | 98.9 | 175.1 | 34.2 | 0 | 0 | 0 | 0 | 110 | R469 | T467-R469 PolarHBondContact O-N 2.88Š| ||
| 468 | G | 26.1 | Very low | 27.5 | Very low | 71 Ų | 71 | 121.6 Ų | 121.6 | 73% | 0.732 | 73% | 0.732 | S | S | * | * | trans | -60.3 | 101.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S466 M470 | S466-G468 PolarHBondContact O-N 3.06Å; S466-G468 VanDerWaalsContact O-N 3.08Å; G468-M470 VanDerWaalsContact C-N 3.32Å; G468-M470 PolarHBondContact O-N 3.18Å | ||
| 469 | R | 25.1 | Very low | 27.7 | Very low | 239 Ų | 239 | 121.1 Ų | 121.1 | 90% | 0.902 | 72% | 0.721 | S | S | * | * | trans | -76.6 | 81.1 | 176.7 | -169.6 | 179.8 | -171 | 172.3 | 3 | 110 | T467 T471 | T467-R469 PolarHBondContact O-N 2.88Å; R469-T471 PolarHBondContact O-N 3.15Å | ||
| 470 | M | 25.6 | Very low | 27.7 | Very low | 179 Ų | 179 | 117.1 Ų | 117.1 | 88% | 0.882 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 128.5 | 175.5 | -82.9 | 178.9 | 157.1 | 0 | 0 | 111.2 | G468 | G468-M470 VanDerWaalsContact C-N 3.32Å; G468-M470 PolarHBondContact O-N 3.18Å |
| 471 | T | 27.4 | Very low | 27.8 | Very low | 134 Ų | 134 | 113.7 Ų | 113.7 | 82% | 0.822 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 120.7 | 178.6 | 49.1 | 0 | 0 | 0 | 0 | 110.1 | R469 S473 | R469-T471 PolarHBondContact O-N 3.15Å; T471-S473 PolarHBondContact O-N 3.24Å |
| 472 | T | 26.6 | Very low | 27.8 | Very low | 100 Ų | 100 | 112.7 Ų | 112.7 | 61% | 0.613 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 121.8 | 177.6 | 48.4 | 0 | 0 | 0 | 0 | 112.1 | ||
| 473 | S | 28.7 | Very low | 27.7 | Very low | 72 Ų | 72 | 110.9 Ų | 110.9 | 50% | 0.503 | 66% | 0.655 | S | S | . | * | P | Polyproline II helix | trans | -83.9 | 141.8 | 168.2 | 46.3 | 0 | 0 | 0 | 0 | 111.1 | T471 M475 | T471-S473 PolarHBondContact O-N 3.24Å; S473-M475 PolarHBondContact O-N 2.94Å |
| 474 | E | 27 | Very low | 28 | Very low | 156 Ų | 156 | 109.5 Ų | 109.5 | 73% | 0.729 | 65% | 0.645 | S | S | * | * | trans | -81.8 | 95.4 | 171.3 | -76.2 | -173.2 | 125.4 | 0 | 0 | 110.9 | N476 | E474-N476 PolarHBondContact O-N 3.19Å; E474-N476 PolarHBondContact O-ND2 3.25Å | ||
| 475 | M | 29 | Very low | 28.2 | Very low | 67 Ų | 67 | 112.6 Ų | 112.6 | 33% | 0.33 | 64% | 0.643 | S | S | . | * | trans | -73.9 | 113.4 | 173.5 | -70.9 | -172.8 | 171.8 | 0 | 0 | 111.7 | E444 S473 F477 | E444-M475 HydrophobicContact CG-CE 3.56Å; E444-M475 WeakPolarHBondContact OE1-CE 3.24Å; S473-M475 PolarHBondContact O-N 2.94Å; M475-F477 HydrophobicContact CB-CD2 4.49Å; M475-F477 HydrophobicContact CB-CE2 3.86Å; M475-F477 HydrophobicContact CB-CZ 4.37Å; M475-F477 PolarHBondContact O-N 2.95Å; M475-F477 HydrophobicContact SD-CZ 4.43Å | ||
| 476 | N | 28.1 | Very low | 28.5 | Very low | 99 Ų | 99 | 117.2 Ų | 117.2 | 53% | 0.529 | 64% | 0.642 | S | S | . | * | trans | -98.7 | 85.4 | -174.6 | -89.2 | -88.7 | 0 | 0 | 0 | 112.5 | Q421 E474 G478 | Q421-N476 PolarHBondContact NE2-OD1 3.36Å; E474-N476 PolarHBondContact O-N 3.19Å; E474-N476 PolarHBondContact O-ND2 3.25Å; N476-G478 PolarHBondContact O-N 3.43Å | ||
| 477 | F | 28.3 | Very low | 28.6 | Very low | 126 Ų | 126 | 113.9 Ų | 113.9 | 55% | 0.553 | 62% | 0.618 | S | S | * | * | trans | -72.2 | 119 | 174.3 | -64.4 | -77.6 | 0 | 0 | 0 | 111.9 | M475 | M475-F477 HydrophobicContact CB-CD2 4.49Å; M475-F477 HydrophobicContact CB-CE2 3.86Å; M475-F477 HydrophobicContact CB-CZ 4.37Å; M475-F477 PolarHBondContact O-N 2.95Å; M475-F477 HydrophobicContact SD-CZ 4.43Å | ||
| 478 | G | 27.8 | Very low | 28.8 | Very low | 57 Ų | 57 | 115.9 Ų | 115.9 | 59% | 0.588 | 62% | 0.615 | S | S | * | * | trans | -127.6 | 96.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | N476 | N476-G478 PolarHBondContact O-N 3.43Š| ||
| 479 | F | 30.6 | Very low | 29.1 | Very low | 106 Ų | 106 | 115.1 Ų | 115.1 | 47% | 0.465 | 60% | 0.597 | S | S | . | * | trans | -84.1 | 166.7 | 170.1 | 55.2 | -107.9 | 0 | 0 | 0 | 112.4 | L418 C420 V481 | L418-F479 WeakPolarHBondContact O-CD2 3.27Å; L418-F479 WeakPolarHBondContact O-CE2 3.47Å; C420-F479 HydrophobicContact CB-CD1 4.37Å; C420-F479 HydrophobicContact CB-CE1 3.49Å; C420-F479 VanDerWaalsContact CB-CE1 3.49Å; C420-F479 HydrophobicContact CB-CE2 4.03Å; C420-F479 HydrophobicContact CB-CZ 3.29Å; F479-V481 HydrophobicContact CD2-CG2 3.88Å; F479-V481 HydrophobicContact CE2-CG2 4.06Å | ||
| 480 | T | 28.3 | Very low | 29.4 | Very low | 84 Ų | 84 | 109.9 Ų | 109.9 | 52% | 0.515 | 59% | 0.586 | S | S | . | * | trans | -136.5 | 113 | 178.8 | -59.2 | 0 | 0 | 0 | 0 | 110.1 | K417 | K417-T480 HydrophobicContact CG-CG2 4.34Š| ||
| 481 | V | 29.7 | Very low | 29.7 | Very low | 54 Ų | 54 | 109.1 Ų | 109.1 | 33% | 0.327 | 58% | 0.578 | S | S | . | * | trans | -96.4 | 104.8 | -175.6 | -169.5 | 0 | 0 | 0 | 0 | 111.2 | L418 F479 M483 | L418-V481 HydrophobicContact CB-CG2 4.35Å; L418-V481 HydrophobicContact CD1-CB 4.2Å; L418-V481 HydrophobicContact CD1-CG2 4.37Å; F479-V481 HydrophobicContact CD2-CG2 3.88Å; F479-V481 HydrophobicContact CE2-CG2 4.06Å; V481-M483 HydrophobicContact CG1-CE 3.97Å; V481-M483 HydrophobicContact CG1-CG 4.32Å; V481-M483 PolarHBondContact O-N 2.77Å | ||
| 482 | N | 27.9 | Very low | 30 | Very low | 105 Ų | 105 | 106.6 Ų | 106.6 | 56% | 0.561 | 56% | 0.563 | S | S | * | * | trans | -76.6 | 91.1 | 179.4 | -169.1 | -8.6 | 0 | 0 | 0 | 112 | T415 S484 | T415-N482 HydrophobicContact CG2-CB 4.42Å; N482-S484 PolarHBondContact O-N 3.47Å | ||
| 483 | M | 30.2 | Very low | 30.3 | Very low | 96 Ų | 96 | 104.1 Ų | 104.1 | 47% | 0.473 | 55% | 0.547 | S | S | . | . | trans | -78.8 | 52.8 | 178.6 | -73.5 | -77.5 | -176 | 0 | 0 | 113.4 | V481 E485 | V481-M483 HydrophobicContact CG1-CE 3.97Å; V481-M483 HydrophobicContact CG1-CG 4.32Å; V481-M483 PolarHBondContact O-N 2.77Å; M483-E485 VanDerWaalsContact C-N 3.34Å; M483-E485 PolarHBondContact O-N 2.88Å | ||
| 484 | S | 31.4 | Very low | 30.4 | Very low | 95 Ų | 95 | 104 Ų | 104 | 66% | 0.664 | 55% | 0.546 | S | S | * | . | trans | -71.7 | -23 | 179 | 59.3 | 0 | 0 | 0 | 0 | 114.1 | N482 K486 | N482-S484 PolarHBondContact O-N 3.47Å; S484-K486 PolarHBondContact O-N 2.9Å | ||
| 485 | E | 32.5 | Very low | 30.7 | Very low | 158 Ų | 158 | 99 Ų | 99 | 74% | 0.738 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -89 | 106.4 | -177.6 | -67.6 | -157.3 | 139.2 | 0 | 0 | 114.2 | M483 C487 | M483-E485 VanDerWaalsContact C-N 3.34Å; M483-E485 PolarHBondContact O-N 2.88Å; E485-C487 PolarHBondContact O-N 3.19Å |
| 486 | K | 32.1 | Very low | 30.8 | Very low | 213 Ų | 213 | 100.4 Ų | 100.4 | 93% | 0.926 | 53% | 0.534 | S | S | * | . | trans | 4.8 | 69.9 | 161.8 | -66.8 | -179.9 | -179.3 | 172.5 | 0 | 116.1 | S484 K488 | S484-K486 PolarHBondContact O-N 2.9Å; K486-K488 PolarHBondContact O-N 2.87Å | ||
| 487 | C | 30.9 | Very low | 31 | Very low | 38 Ų | 38 | 103.5 Ų | 103.5 | 26% | 0.257 | 54% | 0.543 | S | S | . | . | trans | -79.8 | 94.1 | -172.3 | -150.3 | 0 | 0 | 0 | 0 | 111.5 | E485 P489 L490 K526 | E485-C487 PolarHBondContact O-N 3.19Å; C487-P489 VanDerWaalsContact C-N 3.31Å; C487-P489 WeakPolarHBondContact O-CD 3.45Å; C487-P489 VanDerWaalsContact O-N 3.13Å; C487-L490 PolarHBondContact O-N 2.87Å; C487-K526 PolarHBondContact SG-NZ 2.81Å | ||
| 488 | K | 31.9 | Very low | 31.3 | Very low | 185 Ų | 185 | 99.5 Ų | 99.5 | 80% | 0.804 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.5 | -37.9 | 179.6 | -74.3 | -175.7 | 177 | 179.2 | 0 | 116 | K486 L490 K491 | K486-K488 PolarHBondContact O-N 2.87Å; K488-L490 PolarHBondContact O-N 2.84Å; K488-L490 VanDerWaalsContact O-N 3.14Å; K488-K491 PolarHBondContact O-N 2.97Å |
| 489 | P | 32.7 | Very low | 31.5 | Very low | 54 Ų | 54 | 103.9 Ų | 103.9 | 35% | 0.351 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -56.2 | -29 | -177.9 | -29.2 | 37 | 0 | 0 | 0 | 115.7 | C487 K491 T492 | C487-P489 VanDerWaalsContact C-N 3.31Å; C487-P489 WeakPolarHBondContact O-CD 3.45Å; C487-P489 VanDerWaalsContact O-N 3.13Å; P489-K491 PolarHBondContact O-N 3.05Å; P489-T492 VanDerWaalsContact O-CB 3.31Å; P489-T492 WeakPolarHBondContact O-CB 3.44Å; P489-T492 PolarHBondContact O-N 3.13Å |
| 490 | L | 31 | Very low | 31.7 | Very low | 130 Ų | 130 | 104.2 Ų | 104.2 | 68% | 0.681 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.2 | -24.8 | 178.4 | -78.7 | 165.9 | 0 | 0 | 0 | 112.9 | C487 K488 T492 V493 S494 | C487-L490 PolarHBondContact O-N 2.87Å; K488-L490 PolarHBondContact O-N 2.84Å; K488-L490 VanDerWaalsContact O-N 3.14Å; L490-T492 VanDerWaalsContact C-N 3.32Å; L490-V493 PolarHBondContact O-N 3.48Å; L490-S494 PolarHBondContact O-N 3.01Å |
| 491 | K | 32 | Very low | 32 | Very low | 163 Ų | 163 | 108.8 Ų | 108.8 | 71% | 0.709 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -68.2 | -30.9 | 171.3 | -79.1 | -160.7 | 168.7 | -162.6 | 0 | 112.8 | K488 P489 V493 S494 T495 | K488-K491 PolarHBondContact O-N 2.97Å; P489-K491 PolarHBondContact O-N 3.05Å; K491-V493 VanDerWaalsContact C-N 3.34Å; K491-S494 WeakPolarHBondContact CA-OG 3.43Å; K491-S494 PolarHBondContact O-N 3.39Å; K491-S494 PolarHBondContact O-OG 3.1Å; K491-T495 PolarHBondContact O-N 2.64Å; K491-T495 PolarHBondContact O-OG1 2.74Å |
| 492 | T | 34.1 | Very low | 32 | Very low | 81 Ų | 81 | 109.3 Ų | 109.3 | 50% | 0.497 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65 | -39.3 | 177.9 | -52.6 | 0 | 0 | 0 | 0 | 111.1 | P489 L490 S494 T495 I496 | P489-T492 VanDerWaalsContact O-CB 3.31Å; P489-T492 WeakPolarHBondContact O-CB 3.44Å; P489-T492 PolarHBondContact O-N 3.13Å; L490-T492 VanDerWaalsContact C-N 3.32Å; T492-S494 PolarHBondContact O-N 3.45Å; T492-T495 WeakPolarHBondContact CA-OG1 3.21Å; T492-T495 PolarHBondContact O-N 2.83Å; T492-T495 PolarHBondContact O-OG1 3.42Å; T492-T495 VanDerWaalsContact O-OG1 3.13Å; T492-I496 HydrophobicContact CG2-CD1 4.09Å; T492-I496 VanDerWaalsContact O-CG1 3.31Å; T492-I496 WeakPolarHBondContact O-CG1 3.3Å; T492-I496 PolarHBondContact O-N 3.32Å |
| 493 | V | 32 | Very low | 32.1 | Very low | 48 Ų | 48 | 112.2 Ų | 112.2 | 29% | 0.291 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.6 | -45.5 | 172.9 | -176.2 | 0 | 0 | 0 | 0 | 110.7 | L490 K491 T495 I496 F497 L519 | L490-V493 PolarHBondContact O-N 3.48Å; K491-V493 VanDerWaalsContact C-N 3.34Å; V493-T495 VanDerWaalsContact C-N 3.3Å; V493-T495 PolarHBondContact O-N 3.08Å; V493-I496 PolarHBondContact O-N 3.1Å; V493-F497 HydrophobicContact CG1-CD2 4.06Å; V493-F497 HydrophobicContact CG1-CE2 3.78Å; V493-F497 VanDerWaalsContact O-CD2 3.24Å; V493-F497 WeakPolarHBondContact O-CD2 3.23Å; V493-F497 PolarHBondContact O-N 2.84Å; V493-L519 HydrophobicContact CG2-CD2 4.12Å |
| 494 | S | 31.2 | Very low | 32.1 | Very low | 68 Ų | 68 | 113.3 Ų | 113.3 | 48% | 0.476 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -67.4 | -23.8 | 178 | 61.7 | 0 | 0 | 0 | 0 | 115 | L490 K491 T492 A498 | L490-S494 PolarHBondContact O-N 3.01Å; K491-S494 WeakPolarHBondContact CA-OG 3.43Å; K491-S494 PolarHBondContact O-N 3.39Å; K491-S494 PolarHBondContact O-OG 3.1Å; T492-S494 PolarHBondContact O-N 3.45Å; S494-A498 WeakPolarHBondContact O-CB 3.36Å |
| 495 | T | 32.3 | Very low | 32 | Very low | 53 Ų | 53 | 113.3 Ų | 113.3 | 33% | 0.325 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -85.1 | -34.7 | 175.8 | 28.4 | 0 | 0 | 0 | 0 | 112.3 | K491 T492 V493 F497 A498 E499 | K491-T495 PolarHBondContact O-N 2.64Å; K491-T495 PolarHBondContact O-OG1 2.74Å; T492-T495 WeakPolarHBondContact CA-OG1 3.21Å; T492-T495 PolarHBondContact O-N 2.83Å; T492-T495 PolarHBondContact O-OG1 3.42Å; T492-T495 VanDerWaalsContact O-OG1 3.13Å; V493-T495 VanDerWaalsContact C-N 3.3Å; V493-T495 PolarHBondContact O-N 3.08Å; T495-F497 PolarHBondContact O-N 3.45Å; T495-A498 PolarHBondContact O-N 3.04Å; T495-E499 WeakPolarHBondContact CB-OE2 3.43Å; T495-E499 HydrophobicContact CG2-CG 4.31Å; T495-E499 WeakPolarHBondContact CG2-OE2 3.31Å; T495-E499 PolarHBondContact O-N 3.21Å |
| 496 | I | 32.3 | Very low | 32 | Very low | 96 Ų | 96 | 113.2 Ų | 113.2 | 49% | 0.492 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -57.6 | -38.6 | 170.5 | -69.3 | 164.8 | 0 | 0 | 0 | 111 | T492 V493 A498 | T492-I496 HydrophobicContact CG2-CD1 4.09Å; T492-I496 VanDerWaalsContact O-CG1 3.31Å; T492-I496 WeakPolarHBondContact O-CG1 3.3Å; T492-I496 PolarHBondContact O-N 3.32Å; V493-I496 PolarHBondContact O-N 3.1Å; I496-A498 VanDerWaalsContact C-N 3.28Å; I496-A498 PolarHBondContact O-N 3.41Å |
| 497 | F | 31.6 | Very low | 32 | Very low | 163 Ų | 163 | 110.9 Ų | 110.9 | 72% | 0.715 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -76.7 | -3.2 | 173.7 | -73.3 | -63.1 | 0 | 0 | 0 | 115.2 | V493 T495 | V493-F497 HydrophobicContact CG1-CD2 4.06Å; V493-F497 HydrophobicContact CG1-CE2 3.78Å; V493-F497 VanDerWaalsContact O-CD2 3.24Å; V493-F497 WeakPolarHBondContact O-CD2 3.23Å; V493-F497 PolarHBondContact O-N 2.84Å; T495-F497 PolarHBondContact O-N 3.45Å |
| 498 | A | 34.9 | Very low | 32.1 | Very low | 42 Ų | 42 | 111.2 Ų | 111.2 | 35% | 0.347 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -123.7 | -29.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | S494 T495 I496 K501 | S494-A498 WeakPolarHBondContact O-CB 3.36Å; T495-A498 PolarHBondContact O-N 3.04Å; I496-A498 VanDerWaalsContact C-N 3.28Å; I496-A498 PolarHBondContact O-N 3.41Å; A498-K501 WeakPolarHBondContact O-CE 3.25Å; A498-K501 PolarHBondContact O-NZ 2.99Å |
| 499 | E | 33.1 | Very low | 32.2 | Very low | 149 Ų | 149 | 107.2 Ų | 107.2 | 70% | 0.696 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -104.4 | -29.3 | -168.3 | -63.5 | -173.1 | 133.7 | 0 | 0 | 114 | T495 K501 | T495-E499 WeakPolarHBondContact CB-OE2 3.43Å; T495-E499 HydrophobicContact CG2-CG 4.31Å; T495-E499 WeakPolarHBondContact CG2-OE2 3.31Å; T495-E499 PolarHBondContact O-N 3.21Å; E499-K501 VanDerWaalsContact C-N 3.34Å; E499-K501 PolarHBondContact O-N 2.85Å |
| 500 | D | 33.9 | Very low | 32.4 | Very low | 113 Ų | 113 | 108.4 Ų | 108.4 | 60% | 0.604 | 58% | 0.584 | S | S | * | * | trans | -84.8 | 77.6 | 173.6 | -159.5 | -15.5 | 0 | 0 | 0 | 111.8 | G502 | D500-G502 PolarHBondContact OD1-N 3.38Š| ||
| 501 | K | 33.5 | Very low | 32.8 | Very low | 180 Ų | 180 | 105.1 Ų | 105.1 | 78% | 0.783 | 57% | 0.571 | S | S | * | * | trans | -98.8 | 14.8 | 175.4 | -70.1 | 175.9 | 175.1 | 157.5 | 0 | 112.7 | A498 E499 | A498-K501 WeakPolarHBondContact O-CE 3.25Å; A498-K501 PolarHBondContact O-NZ 2.99Å; E499-K501 VanDerWaalsContact C-N 3.34Å; E499-K501 PolarHBondContact O-N 2.85Å | ||
| 502 | G | 31.2 | Very low | 33 | Very low | 65 Ų | 65 | 98.3 Ų | 98.3 | 67% | 0.67 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -93.6 | -58.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | D500 | D500-G502 PolarHBondContact OD1-N 3.38Š|
| 503 | E | 29.9 | Very low | 33.3 | Very low | 166 Ų | 166 | 96.5 Ų | 96.5 | 78% | 0.776 | 53% | 0.534 | S | S | * | . | trans | -120.1 | 62 | -164.5 | -61.6 | -165.6 | 143.8 | 0 | 0 | 112.6 | S505 | E503-S505 PolarHBondContact O-N 3.45Š| ||
| 504 | L | 29.4 | Very low | 34.1 | Very low | 119 Ų | 119 | 100.7 Ų | 100.7 | 62% | 0.623 | 55% | 0.548 | S | S | * | . | trans | -76.1 | 52.1 | 179.1 | -148.2 | 83.9 | 0 | 0 | 0 | 113.4 | P370 | P370-L504 HydrophobicContact CG-CD2 4.48Š| ||
| 505 | S | 29.8 | Very low | 34.7 | Very low | 96 Ų | 96 | 100.4 Ų | 100.4 | 67% | 0.671 | 54% | 0.544 | S | S | * | . | trans | -118.2 | 123.1 | 175.7 | 56.1 | 0 | 0 | 0 | 0 | 111.4 | E503 | E503-S505 PolarHBondContact O-N 3.45Š| ||
| 506 | E | 31.8 | Very low | 35.4 | Very low | 155 Ų | 155 | 98.6 Ų | 98.6 | 72% | 0.724 | 53% | 0.532 | S | S | * | . | trans | 65.7 | 79.6 | 172.4 | -119.1 | 161.5 | -122.8 | 0 | 0 | 115.9 | T508 | E506-T508 HydrophobicContact CB-CG2 4.13Å; E506-T508 HydrophobicContact CG-CG2 4.05Å; E506-T508 PolarHBondContact O-N 3.08Å | ||
| 507 | F | 33.3 | Very low | 36.2 | Very low | 164 Ų | 164 | 97.5 Ų | 97.5 | 72% | 0.719 | 53% | 0.527 | S | S | * | . | trans | -67.3 | 72.1 | 164.6 | -133.1 | -88.9 | 0 | 0 | 0 | 110.4 | V512 | F507-V512 HydrophobicContact CD1-CG2 3.91Å; F507-V512 HydrophobicContact CE1-CG2 3.86Å | ||
| 508 | T | 33.5 | Very low | 37 | Very low | 45 Ų | 45 | 93.7 Ų | 93.7 | 28% | 0.276 | 51% | 0.514 | S | S | . | . | trans | -72.1 | 154 | -177 | 57.7 | 0 | 0 | 0 | 0 | 112.2 | E506 S510 S511 V512 | E506-T508 HydrophobicContact CB-CG2 4.13Å; E506-T508 HydrophobicContact CG-CG2 4.05Å; E506-T508 PolarHBondContact O-N 3.08Å; T508-S510 WeakPolarHBondContact CB-OG 3.37Å; T508-S510 PolarHBondContact O-N 2.73Å; T508-S510 PolarHBondContact OG1-OG 3.07Å; T508-S511 PolarHBondContact O-N 2.99Å; T508-S511 PolarHBondContact OG1-N 3.38Å; T508-S511 PolarHBondContact OG1-OG 3.45Å; T508-V512 PolarHBondContact O-N 3.15Å | ||
| 509 | T | 33.5 | Very low | 37.5 | Very low | 101 Ų | 101 | 94.5 Ų | 94.5 | 62% | 0.62 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -57 | -31.3 | 173 | 43.3 | 0 | 0 | 0 | 0 | 112.4 | V512 S513 | T509-V512 PolarHBondContact O-N 2.77Å; T509-S513 WeakPolarHBondContact O-CB 3.3Å; T509-S513 PolarHBondContact O-N 3.41Å |
| 510 | S | 36.7 | Very low | 38.1 | Very low | 80 Ų | 80 | 90.9 Ų | 90.9 | 56% | 0.559 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.3 | -40.9 | 171.7 | 28.9 | 0 | 0 | 0 | 0 | 113.7 | T508 S513 K514 | T508-S510 WeakPolarHBondContact CB-OG 3.37Å; T508-S510 PolarHBondContact O-N 2.73Å; T508-S510 PolarHBondContact OG1-OG 3.07Å; S510-S513 PolarHBondContact O-N 2.9Å; S510-K514 WeakPolarHBondContact O-CB 3.26Å; S510-K514 PolarHBondContact O-N 3.16Å |
| 511 | S | 38.1 | Very low | 38.8 | Very low | 60 Ų | 60 | 92.7 Ų | 92.7 | 42% | 0.42 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.7 | -40.9 | 177.7 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | T508 K514 V515 | T508-S511 PolarHBondContact O-N 2.99Å; T508-S511 PolarHBondContact OG1-N 3.38Å; T508-S511 PolarHBondContact OG1-OG 3.45Å; S511-K514 PolarHBondContact O-N 2.84Å; S511-V515 WeakPolarHBondContact O-CG2 3.06Å; S511-V515 PolarHBondContact O-N 3.48Å |
| 512 | V | 36.5 | Very low | 39.2 | Very low | 21 Ų | 21 | 85.6 Ų | 85.6 | 13% | 0.127 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -67.4 | -42.1 | 175.4 | -179.7 | 0 | 0 | 0 | 0 | 111.2 | V210 F507 T508 T509 K514 V515 L516 | V210-V512 HydrophobicContact CB-CG1 4.08Å; V210-V512 HydrophobicContact CG1-CG1 3.96Å; V210-V512 HydrophobicContact CG2-CG1 4.34Å; F507-V512 HydrophobicContact CD1-CG2 3.91Å; F507-V512 HydrophobicContact CE1-CG2 3.86Å; T508-V512 PolarHBondContact O-N 3.15Å; T509-V512 PolarHBondContact O-N 2.77Å; V512-K514 PolarHBondContact O-N 2.88Å; V512-V515 PolarHBondContact O-N 2.75Å; V512-L516 HydrophobicContact CG1-CD1 4.22Å; V512-L516 PolarHBondContact O-N 3.38Å |
| 513 | S | 41.3 | Very low | 39.6 | Very low | 43 Ų | 43 | 84.7 Ų | 84.7 | 30% | 0.301 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -57.3 | -49.4 | 174.7 | -164.7 | 0 | 0 | 0 | 0 | 110.8 | T509 S510 V515 L516 D517 | T509-S513 WeakPolarHBondContact O-CB 3.3Å; T509-S513 PolarHBondContact O-N 3.41Å; S510-S513 PolarHBondContact O-N 2.9Å; S513-V515 VanDerWaalsContact C-N 3.29Å; S513-V515 PolarHBondContact O-N 3.14Å; S513-L516 CarbonylContact O-C 3.47Å; S513-L516 WeakPolarHBondContact O-CA 3.45Å; S513-L516 VanDerWaalsContact O-CB 3.25Å; S513-L516 WeakPolarHBondContact O-CB 3.39Å; S513-L516 PolarHBondContact O-N 3.21Å; S513-D517 PolarHBondContact O-N 3.24Å; S513-D517 VanDerWaalsContact O-OD2 3.1Å |
| 514 | K | 47.8 | Very low | 39.9 | Very low | 135 Ų | 135 | 82.7 Ų | 82.7 | 59% | 0.587 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -59.3 | -38.7 | 179.6 | -172.5 | -173.2 | 172.4 | -165.6 | 0 | 112.6 | S510 S511 V512 D517 D518 | S510-K514 WeakPolarHBondContact O-CB 3.26Å; S510-K514 PolarHBondContact O-N 3.16Å; S511-K514 PolarHBondContact O-N 2.84Å; V512-K514 PolarHBondContact O-N 2.88Å; K514-D517 PolarHBondContact O-N 2.91Å; K514-D518 WeakPolarHBondContact O-CB 3.5Å; K514-D518 PolarHBondContact O-N 3.03Å |
| 515 | V | 44.9 | Very low | 40.2 | Very low | 63 Ų | 63 | 83.8 Ų | 83.8 | 38% | 0.382 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -69.4 | -34.7 | 175.8 | 173.6 | 0 | 0 | 0 | 0 | 111.8 | S511 V512 S513 L519 | S511-V515 WeakPolarHBondContact O-CG2 3.06Å; S511-V515 PolarHBondContact O-N 3.48Å; V512-V515 PolarHBondContact O-N 2.75Å; S513-V515 VanDerWaalsContact C-N 3.29Å; S513-V515 PolarHBondContact O-N 3.14Å; V515-L519 HydrophobicContact CG1-CD1 4.1Å; V515-L519 WeakPolarHBondContact O-CB 2.89Å; V515-L519 WeakPolarHBondContact O-CD1 3.47Å; V515-L519 WeakPolarHBondContact O-CG 3.46Å; V515-L519 PolarHBondContact O-N 3.15Å; V515-L519 VanDerWaalsContact O-N 3.1Å |
| 516 | L | 46.7 | Very low | 40.5 | Very low | 15 Ų | 15 | 83.3 Ų | 83.3 | 8% | 0.079 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -61 | -52.9 | 167.9 | -104 | 71.1 | 0 | 0 | 0 | 110.8 | F205 V512 S513 D518 L519 E520 | F205-L516 HydrophobicContact CD1-CD1 3.94Å; F205-L516 HydrophobicContact CD1-CD2 4.41Å; F205-L516 HydrophobicContact CD1-CG 3.87Å; F205-L516 HydrophobicContact CE1-CD1 3.37Å; F205-L516 HydrophobicContact CE1-CG 3.64Å; F205-L516 HydrophobicContact CZ-CD1 3.8Å; F205-L516 WeakPolarHBondContact O-CD2 3.47Å; V512-L516 HydrophobicContact CG1-CD1 4.22Å; V512-L516 PolarHBondContact O-N 3.38Å; S513-L516 CarbonylContact O-C 3.47Å; S513-L516 WeakPolarHBondContact O-CA 3.45Å; S513-L516 VanDerWaalsContact O-CB 3.25Å; S513-L516 WeakPolarHBondContact O-CB 3.39Å; S513-L516 PolarHBondContact O-N 3.21Å; L516-D518 VanDerWaalsContact C-N 3.33Å; L516-D518 PolarHBondContact O-N 3.09Å; L516-L519 WeakPolarHBondContact O-CB 3.36Å; L516-L519 PolarHBondContact O-N 3.33Å; L516-E520 PolarHBondContact O-N 3Å |
| 517 | D | 48.9 | Very low | 40.6 | Very low | 72 Ų | 72 | 77.8 Ų | 77.8 | 39% | 0.385 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -56.5 | -46.6 | -179.3 | -57.5 | -38.7 | 0 | 0 | 0 | 110.8 | S513 K514 L519 E520 W521 | S513-D517 PolarHBondContact O-N 3.24Å; S513-D517 VanDerWaalsContact O-OD2 3.1Å; K514-D517 PolarHBondContact O-N 2.91Å; D517-L519 VanDerWaalsContact C-N 3.33Å; D517-L519 PolarHBondContact O-N 3.26Å; D517-E520 PolarHBondContact O-N 3.38Å; D517-W521 VanDerWaalsContact O-CB 3.29Å; D517-W521 WeakPolarHBondContact O-CB 3.39Å; D517-W521 VanDerWaalsContact O-CD1 3.24Å; D517-W521 PolarHBondContact O-N 3.38Å |
| 518 | D | 49.4 | Very low | 40.6 | Very low | 84 Ų | 84 | 72.7 Ų | 72.7 | 45% | 0.449 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.1 | -33 | 177.8 | -85.1 | -41 | 0 | 0 | 0 | 112.6 | K514 L516 A522 | K514-D518 WeakPolarHBondContact O-CB 3.5Å; K514-D518 PolarHBondContact O-N 3.03Å; L516-D518 VanDerWaalsContact C-N 3.33Å; L516-D518 PolarHBondContact O-N 3.09Å; D518-A522 VanDerWaalsContact O-CB 3.26Å; D518-A522 WeakPolarHBondContact O-CB 3.24Å; D518-A522 PolarHBondContact O-N 3.19Å |
| 519 | L | 45.1 | Very low | 40.6 | Very low | 58 Ų | 58 | 73.7 Ų | 73.7 | 30% | 0.304 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -74.1 | -43.6 | 175.2 | -76.9 | 169.3 | 0 | 0 | 0 | 112.2 | F205 V493 V515 L516 D517 A522 G523 | F205-L519 HydrophobicContact CE1-CD1 4.13Å; F205-L519 HydrophobicContact CZ-CD1 4.27Å; V493-L519 HydrophobicContact CG2-CD2 4.12Å; V515-L519 HydrophobicContact CG1-CD1 4.1Å; V515-L519 WeakPolarHBondContact O-CB 2.89Å; V515-L519 WeakPolarHBondContact O-CD1 3.47Å; V515-L519 WeakPolarHBondContact O-CG 3.46Å; V515-L519 PolarHBondContact O-N 3.15Å; V515-L519 VanDerWaalsContact O-N 3.1Å; L516-L519 WeakPolarHBondContact O-CB 3.36Å; L516-L519 PolarHBondContact O-N 3.33Å; D517-L519 VanDerWaalsContact C-N 3.33Å; D517-L519 PolarHBondContact O-N 3.26Å; L519-A522 WeakPolarHBondContact O-CB 3.36Å; L519-A522 PolarHBondContact O-N 3.15Å; L519-G523 PolarHBondContact O-N 3.29Å |
| 520 | E | 44.3 | Very low | 40.6 | Very low | 74 Ų | 74 | 74.6 Ų | 74.6 | 35% | 0.346 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 173.6 | -70.8 | -170.8 | 171 | 0 | 0 | 110.6 | L516 D517 A522 G523 Y524 | L516-E520 PolarHBondContact O-N 3Å; D517-E520 PolarHBondContact O-N 3.38Å; E520-A522 VanDerWaalsContact C-N 3.29Å; E520-A522 PolarHBondContact O-N 3.37Å; E520-G523 PolarHBondContact O-N 2.99Å; E520-Y524 WeakPolarHBondContact O-CB 3.11Å; E520-Y524 PolarHBondContact O-N 3.47Å |
| 521 | W | 48.8 | Very low | 40.4 | Very low | 150 Ų | 150 | 74.9 Ų | 74.9 | 57% | 0.568 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -66 | -25.2 | 172.7 | -86.8 | 104.5 | 0 | 0 | 0 | 113.9 | D517 Y524 R525 | D517-W521 VanDerWaalsContact O-CB 3.29Å; D517-W521 WeakPolarHBondContact O-CB 3.39Å; D517-W521 VanDerWaalsContact O-CD1 3.24Å; D517-W521 PolarHBondContact O-N 3.38Å; W521-Y524 HydrophobicContact CE3-CD1 4.1Å; W521-Y524 AromaticContact CZ3-CD1 3.82Å; W521-Y524 HydrophobicContact CZ3-CD1 3.82Å; W521-Y524 HydrophobicContact CZ3-CE1 4.18Å; W521-R525 VanDerWaalsContact O-CB 3.25Å; W521-R525 WeakPolarHBondContact O-CB 3.38Å; W521-R525 VanDerWaalsContact O-CG 3.25Å; W521-R525 WeakPolarHBondContact O-CG 3.49Å; W521-R525 PolarHBondContact O-N 3.12Å; W521-R525 VanDerWaalsContact O-N 3.11Å; W521-R525 PolarHBondContact O-NE 2.88Å |
| 522 | A | 41.6 | Very low | 40.1 | Very low | 32 Ų | 32 | 74.7 Ų | 74.7 | 26% | 0.264 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -73.6 | -41.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | D518 L519 E520 K526 | D518-A522 VanDerWaalsContact O-CB 3.26Å; D518-A522 WeakPolarHBondContact O-CB 3.24Å; D518-A522 PolarHBondContact O-N 3.19Å; L519-A522 WeakPolarHBondContact O-CB 3.36Å; L519-A522 PolarHBondContact O-N 3.15Å; E520-A522 VanDerWaalsContact C-N 3.29Å; E520-A522 PolarHBondContact O-N 3.37Å; A522-K526 PolarHBondContact O-N 3.12Å |
| 523 | G | 39.3 | Very low | 39.9 | Very low | 45 Ų | 45 | 78.7 Ų | 78.7 | 46% | 0.464 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.1 | -53.3 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | L519 E520 R525 K526 A527 | L519-G523 PolarHBondContact O-N 3.29Å; E520-G523 PolarHBondContact O-N 2.99Å; G523-R525 PolarHBondContact O-N 3.45Å; G523-K526 PolarHBondContact O-N 2.76Å; G523-A527 PolarHBondContact O-N 2.71Å |
| 524 | Y | 37.8 | Very low | 39.6 | Very low | 124 Ų | 124 | 79.3 Ų | 79.3 | 49% | 0.486 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59.6 | -42 | 179.3 | -172.7 | -93.9 | 0 | 0 | 0 | 112.6 | E520 W521 K526 A527 T528 | E520-Y524 WeakPolarHBondContact O-CB 3.11Å; E520-Y524 PolarHBondContact O-N 3.47Å; W521-Y524 HydrophobicContact CE3-CD1 4.1Å; W521-Y524 AromaticContact CZ3-CD1 3.82Å; W521-Y524 HydrophobicContact CZ3-CD1 3.82Å; W521-Y524 HydrophobicContact CZ3-CE1 4.18Å; Y524-K526 VanDerWaalsContact C-N 3.34Å; Y524-K526 PolarHBondContact O-N 2.78Å; Y524-A527 PolarHBondContact O-N 3.46Å; Y524-T528 HydrophobicContact CD1-CG2 4.17Å; Y524-T528 HydrophobicContact CE1-CG2 3.69Å; Y524-T528 HydrophobicContact CE2-CG2 4.39Å; Y524-T528 PolarHBondContact O-N 3.49Å; Y524-T528 PolarHBondContact O-OG1 3.25Å |
| 525 | R | 35 | Very low | 38.9 | Very low | 143 Ų | 143 | 82.3 Ų | 82.3 | 54% | 0.54 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.5 | -32.1 | 173.7 | -79.5 | -179.4 | -71.1 | -175.3 | -4.5 | 113.2 | W521 G523 T528 S529 | W521-R525 VanDerWaalsContact O-CB 3.25Å; W521-R525 WeakPolarHBondContact O-CB 3.38Å; W521-R525 VanDerWaalsContact O-CG 3.25Å; W521-R525 WeakPolarHBondContact O-CG 3.49Å; W521-R525 PolarHBondContact O-N 3.12Å; W521-R525 VanDerWaalsContact O-N 3.11Å; W521-R525 PolarHBondContact O-NE 2.88Å; G523-R525 PolarHBondContact O-N 3.45Å; R525-T528 WeakPolarHBondContact CA-OG1 3.47Å; R525-T528 PolarHBondContact O-OG1 2.91Å; R525-S529 VanDerWaalsContact O-CB 3.31Å; R525-S529 WeakPolarHBondContact O-CB 3.36Å; R525-S529 PolarHBondContact O-N 2.89Å; R525-S529 VanDerWaalsContact O-N 3.07Å; R525-S529 PolarHBondContact O-OG 3.01Å |
| 526 | K | 36.8 | Very low | 38.2 | Very low | 86 Ų | 86 | 83.3 Ų | 83.3 | 37% | 0.374 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -73.7 | -38 | 175.6 | -157.5 | -174.8 | -179.2 | -162.1 | 0 | 111.6 | C487 A522 G523 Y524 S529 | C487-K526 PolarHBondContact SG-NZ 2.81Å; A522-K526 PolarHBondContact O-N 3.12Å; G523-K526 PolarHBondContact O-N 2.76Å; Y524-K526 VanDerWaalsContact C-N 3.34Å; Y524-K526 PolarHBondContact O-N 2.78Å; K526-S529 PolarHBondContact O-OG 2.79Å |
| 527 | A | 33.4 | Very low | 37.2 | Very low | 38 Ų | 38 | 89.6 Ų | 89.6 | 31% | 0.314 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.6 | -50.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | G523 Y524 S529 L530 F531 | G523-A527 PolarHBondContact O-N 2.71Å; Y524-A527 PolarHBondContact O-N 3.46Å; A527-S529 VanDerWaalsContact C-N 3.34Å; A527-S529 PolarHBondContact O-N 2.86Å; A527-L530 PolarHBondContact O-N 3.1Å; A527-F531 PolarHBondContact O-N 3.2Å |
| 528 | T | 33.8 | Very low | 36.3 | Very low | 57 Ų | 57 | 97.7 Ų | 97.7 | 35% | 0.35 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.4 | -28.3 | -179.9 | 48.3 | 0 | 0 | 0 | 0 | 113.8 | Y524 R525 L530 F531 G532 | Y524-T528 HydrophobicContact CD1-CG2 4.17Å; Y524-T528 HydrophobicContact CE1-CG2 3.69Å; Y524-T528 HydrophobicContact CE2-CG2 4.39Å; Y524-T528 PolarHBondContact O-N 3.49Å; Y524-T528 PolarHBondContact O-OG1 3.25Å; R525-T528 WeakPolarHBondContact CA-OG1 3.47Å; R525-T528 PolarHBondContact O-OG1 2.91Å; T528-L530 VanDerWaalsContact C-N 3.33Å; T528-L530 PolarHBondContact O-N 2.87Å; T528-F531 PolarHBondContact O-N 3.04Å; T528-G532 PolarHBondContact O-N 3.07Å |
| 529 | S | 32.9 | Very low | 35.4 | Very low | 66 Ų | 66 | 102.1 Ų | 102.1 | 46% | 0.462 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.6 | -29.7 | 175.1 | 70.4 | 0 | 0 | 0 | 0 | 113.5 | R525 K526 A527 G532 T533 | R525-S529 VanDerWaalsContact O-CB 3.31Å; R525-S529 WeakPolarHBondContact O-CB 3.36Å; R525-S529 PolarHBondContact O-N 2.89Å; R525-S529 VanDerWaalsContact O-N 3.07Å; R525-S529 PolarHBondContact O-OG 3.01Å; K526-S529 PolarHBondContact O-OG 2.79Å; A527-S529 VanDerWaalsContact C-N 3.34Å; A527-S529 PolarHBondContact O-N 2.86Å; S529-G532 PolarHBondContact O-N 2.9Å; S529-T533 PolarHBondContact O-N 2.98Å; S529-T533 PolarHBondContact O-OG1 3.29Å |
| 530 | L | 32.7 | Very low | 34.5 | Very low | 120 Ų | 120 | 105.6 Ų | 105.6 | 63% | 0.628 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -71.2 | -33.2 | 172.8 | -72.3 | 161.9 | 0 | 0 | 0 | 112.3 | A527 T528 T533 | A527-L530 PolarHBondContact O-N 3.1Å; T528-L530 VanDerWaalsContact C-N 3.33Å; T528-L530 PolarHBondContact O-N 2.87Å; L530-T533 PolarHBondContact O-OG1 2.91Å |
| 531 | F | 32.7 | Very low | 33.9 | Very low | 87 Ų | 87 | 107.6 Ų | 107.6 | 38% | 0.382 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -69.8 | -39.6 | 170.1 | -85.5 | -82.3 | 0 | 0 | 0 | 112.6 | A527 T528 T533 A534 M579 | A527-F531 PolarHBondContact O-N 3.2Å; T528-F531 PolarHBondContact O-N 3.04Å; F531-T533 PolarHBondContact O-N 3.03Å; F531-A534 PolarHBondContact O-N 3.34Å; F531-M579 WeakPolarHBondContact CE1-O 3.41Å; F531-M579 HydrophobicContact CE2-CB 3.94Å; F531-M579 HydrophobicContact CE2-CG 3.91Å; F531-M579 HydrophobicContact CE2-SD 3.75Å; F531-M579 HydrophobicContact CZ-CB 3.76Å; F531-M579 HydrophobicContact CZ-CG 3.82Å; F531-M579 WeakPolarHBondContact CZ-O 3.15Å; F531-M579 HydrophobicContact CZ-SD 4.27Å |
| 532 | G | 32.7 | Very low | 32.8 | Very low | 56 Ų | 56 | 105.7 Ų | 105.7 | 58% | 0.577 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -61.9 | -39.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | T528 S529 | T528-G532 PolarHBondContact O-N 3.07Å; S529-G532 PolarHBondContact O-N 2.9Å |
| 533 | T | 32.5 | Very low | 32.2 | Very low | 104 Ų | 104 | 112.3 Ų | 112.3 | 64% | 0.638 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -76.6 | -25.7 | -179.1 | 51 | 0 | 0 | 0 | 0 | 113.6 | S529 L530 F531 K535 | S529-T533 PolarHBondContact O-N 2.98Å; S529-T533 PolarHBondContact O-OG1 3.29Å; L530-T533 PolarHBondContact O-OG1 2.91Å; F531-T533 PolarHBondContact O-N 3.03Å; T533-K535 PolarHBondContact O-N 3.29Å |
| 534 | A | 33.6 | Very low | 31.7 | Very low | 56 Ų | 56 | 116.6 Ų | 116.6 | 46% | 0.463 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -66.4 | -19.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | F531 A536 | F531-A534 PolarHBondContact O-N 3.34Å; A534-A536 VanDerWaalsContact C-N 3.26Å; A534-A536 PolarHBondContact O-N 3.37Å |
| 535 | K | 33.6 | Very low | 31 | Very low | 198 Ų | 198 | 116.1 Ų | 116.1 | 86% | 0.861 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -3.1 | -174.1 | -157.8 | 167.6 | -176.5 | 174.1 | 0 | 114.7 | T533 | T533-K535 PolarHBondContact O-N 3.29Š|
| 536 | A | 30.1 | Very low | 30.6 | Very low | 85 Ų | 85 | 119.6 Ų | 119.6 | 70% | 0.702 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | -4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | A534 | A534-A536 VanDerWaalsContact C-N 3.26Å; A534-A536 PolarHBondContact O-N 3.37Å |
| 537 | L | 27.1 | Very low | 30.2 | Very low | 147 Ų | 147 | 122.9 Ų | 122.9 | 77% | 0.77 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -136.3 | 89.2 | -168.4 | -75.3 | 171.1 | 0 | 0 | 0 | 114.3 | ||
| 538 | R | 28.6 | Very low | 29.8 | Very low | 241 Ų | 241 | 127.3 Ų | 127.3 | 91% | 0.909 | 70% | 0.697 | S | S | * | * | trans | 154.3 | 135.5 | 135.4 | -83.8 | 165.2 | -168.8 | -156.7 | 1.3 | 110.7 | ||||
| 539 | Q | 30.7 | Very low | 29.4 | Very low | 178 Ų | 178 | 129.8 Ų | 129.8 | 83% | 0.832 | 72% | 0.716 | S | S | * | * | trans | -111.4 | 131.8 | -177.5 | -62.3 | 164.1 | -63.4 | 0 | 0 | 109.5 | ||||
| 540 | T | 25.6 | Very low | 29.1 | Very low | 130 Ų | 130 | 134.8 Ų | 134.8 | 80% | 0.798 | 73% | 0.732 | S | S | * | * | trans | 53.2 | 162.7 | 132.5 | 63.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 541 | P | 33.3 | Very low | 29 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 76% | 0.76 | 74% | 0.737 | S | S | * | * | cis | -140.5 | -153.3 | -44.5 | 42.2 | -24.2 | 0 | 0 | 0 | 112 | ||||
| 542 | S | 24.6 | Very low | 29.1 | Very low | 109 Ų | 109 | 140.1 Ų | 140.1 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | trans | 84.5 | 140 | 177.9 | -130.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 543 | E | 28.5 | Very low | 30.1 | Very low | 172 Ų | 172 | 141.2 Ų | 141.2 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | cis | -132.2 | 154.1 | 19.2 | -73.9 | -179.3 | 145.2 | 0 | 0 | 115.3 | ||||
| 544 | V | 29 | Very low | 30.4 | Very low | 135 Ų | 135 | 142.4 Ų | 142.4 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | 38.1 | 129 | 152.8 | -171.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 545 | P | 24.8 | Very low | 30.9 | Very low | 114 Ų | 114 | 142 Ų | 142 | 74% | 0.74 | 76% | 0.756 | S | S | * | * | trans | -98.9 | 171.3 | 179.3 | 40.3 | -36.6 | 0 | 0 | 0 | 115.6 | ||||
| 546 | F | 25.6 | Very low | 31.6 | Very low | 216 Ų | 216 | 135.2 Ų | 135.2 | 95% | 0.947 | 74% | 0.737 | S | S | * | * | trans | -122.9 | 147.1 | 161.6 | -131.8 | -94.3 | 0 | 0 | 0 | 109.3 | ||||
| 547 | E | 28.5 | Very low | 32.6 | Very low | 155 Ų | 155 | 135.8 Ų | 135.8 | 72% | 0.724 | 73% | 0.727 | S | S | * | * | trans | -103.3 | 143.3 | -163.5 | -88.5 | -162.9 | 113.9 | 0 | 0 | 116.3 | ||||
| 548 | N | 25 | Very low | 33.9 | Very low | 131 Ų | 131 | 133.7 Ų | 133.7 | 70% | 0.701 | 72% | 0.717 | S | S | * | * | trans | 51.1 | 97.1 | 141.1 | -52.6 | -28.3 | 0 | 0 | 0 | 120.2 | ||||
| 549 | S | 25.3 | Very low | 35.4 | Very low | 109 Ų | 109 | 126.2 Ų | 126.2 | 76% | 0.762 | 70% | 0.695 | S | S | * | * | -174 | 145.2 | 110.5 | 61.5 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 550 | E | 26.8 | Very low | 36.5 | Very low | 170 Ų | 170 | 120.7 Ų | 120.7 | 79% | 0.794 | 67% | 0.667 | S | S | * | * | trans | 69.8 | 157.7 | 166.7 | -55.1 | -165.7 | 134 | 0 | 0 | 118.7 | ||||
| 551 | F | 30.1 | Very low | 38 | Very low | 169 Ų | 169 | 116.4 Ų | 116.4 | 74% | 0.741 | 64% | 0.642 | S | S | * | * | trans | 65.8 | 106.4 | -179.3 | -66.7 | -82.9 | 0 | 0 | 0 | 118.8 | T553 | F551-T553 HydrophobicContact CB-CG2 3.91Å; F551-T553 HydrophobicContact CD1-CG2 4.28Å; F551-T553 HydrophobicContact CG-CG2 4.43Å; F551-T553 PolarHBondContact O-N 3.29Å; F551-T553 PolarHBondContact O-OG1 2.64Å | ||
| 552 | D | 35.7 | Very low | 39.6 | Very low | 151 Ų | 151 | 120.2 Ų | 120.2 | 81% | 0.807 | 64% | 0.641 | S | S | * | * | trans | -67.6 | 29.4 | 164.2 | -98.8 | -48.7 | 0 | 0 | 0 | 113.8 | L554 G555 A556 | D552-L554 PolarHBondContact O-N 2.93Å; D552-G555 PolarHBondContact O-N 2.82Å; D552-A556 WeakPolarHBondContact O-CB 3.36Å; D552-A556 PolarHBondContact O-N 3Å | ||
| 553 | T | 52.3 | Low | 41.6 | Very low | 79 Ų | 79 | 122 Ų | 122 | 49% | 0.485 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -57.5 | -47 | -163.7 | 28.6 | 0 | 0 | 0 | 0 | 114 | F551 G555 A556 I557 | F551-T553 HydrophobicContact CB-CG2 3.91Å; F551-T553 HydrophobicContact CD1-CG2 4.28Å; F551-T553 HydrophobicContact CG-CG2 4.43Å; F551-T553 PolarHBondContact O-N 3.29Å; F551-T553 PolarHBondContact O-OG1 2.64Å; T553-G555 VanDerWaalsContact C-N 3.34Å; T553-G555 PolarHBondContact O-N 2.83Å; T553-A556 PolarHBondContact O-N 2.93Å; T553-I557 WeakPolarHBondContact O-CB 3.27Å; T553-I557 WeakPolarHBondContact O-CD1 3.48Å; T553-I557 WeakPolarHBondContact O-CG1 3.2Å; T553-I557 PolarHBondContact O-N 2.77Å |
| 554 | L | 40 | Very low | 43.1 | Very low | 128 Ų | 128 | 117.5 Ų | 117.5 | 67% | 0.67 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -66.7 | -37.2 | -177.6 | -163.2 | 74.8 | 0 | 0 | 0 | 112.3 | D552 L558 | D552-L554 PolarHBondContact O-N 2.93Å; L554-L558 HydrophobicContact CG-CD1 4.48Å; L554-L558 WeakPolarHBondContact O-CB 3.48Å; L554-L558 PolarHBondContact O-N 2.97Å; L554-L558 VanDerWaalsContact O-N 3.08Å |
| 555 | G | 44.2 | Very low | 44.7 | Very low | 48 Ų | 48 | 118 Ų | 118 | 50% | 0.495 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67.9 | -42.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | D552 T553 N559 | D552-G555 PolarHBondContact O-N 2.82Å; T553-G555 VanDerWaalsContact C-N 3.34Å; T553-G555 PolarHBondContact O-N 2.83Å; G555-N559 WeakPolarHBondContact O-CB 3.18Å; G555-N559 PolarHBondContact O-N 3.09Å; G555-N559 VanDerWaalsContact O-N 3.09Å |
| 556 | A | 49 | Very low | 46.2 | Very low | 55 Ų | 55 | 114.2 Ų | 114.2 | 46% | 0.455 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61.5 | -48.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | D552 T553 L558 N559 Y560 | D552-A556 WeakPolarHBondContact O-CB 3.36Å; D552-A556 PolarHBondContact O-N 3Å; T553-A556 PolarHBondContact O-N 2.93Å; A556-L558 PolarHBondContact O-N 3.22Å; A556-N559 CarbonylContact O-C 3.54Å; A556-N559 WeakPolarHBondContact O-CB 3.35Å; A556-N559 PolarHBondContact O-N 3.41Å; A556-N559 VanDerWaalsContact O-N 3.09Å; A556-Y560 WeakPolarHBondContact O-CB 3.46Å; A556-Y560 PolarHBondContact O-N 3.45Å |
| 557 | I | 50.7 | Low | 47.8 | Very low | 97 Ų | 97 | 110.3 Ų | 110.3 | 50% | 0.497 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -59 | -47.3 | 179 | -71 | 161.9 | 0 | 0 | 0 | 111.1 | T553 N559 Y560 S561 | T553-I557 WeakPolarHBondContact O-CB 3.27Å; T553-I557 WeakPolarHBondContact O-CD1 3.48Å; T553-I557 WeakPolarHBondContact O-CG1 3.2Å; T553-I557 PolarHBondContact O-N 2.77Å; I557-N559 PolarHBondContact O-N 3.07Å; I557-Y560 WeakPolarHBondContact O-CB 3.28Å; I557-Y560 PolarHBondContact O-N 3.31Å; I557-Y560 VanDerWaalsContact O-N 3.15Å; I557-S561 PolarHBondContact O-N 2.76Å; I557-S561 PolarHBondContact O-OG 3.28Å |
| 558 | L | 54.6 | Low | 48.5 | Very low | 104 Ų | 104 | 106 Ų | 106 | 55% | 0.545 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.5 | -22.1 | 177 | -78.1 | 168.7 | 0 | 0 | 0 | 113.9 | L554 A556 R562 | L554-L558 HydrophobicContact CG-CD1 4.48Å; L554-L558 WeakPolarHBondContact O-CB 3.48Å; L554-L558 PolarHBondContact O-N 2.97Å; L554-L558 VanDerWaalsContact O-N 3.08Å; A556-L558 PolarHBondContact O-N 3.22Å; L558-R562 WeakPolarHBondContact O-CD 3.35Å; L558-R562 VanDerWaalsContact O-CG 3.26Å; L558-R562 WeakPolarHBondContact O-CG 3.49Å |
| 559 | N | 59.3 | Low | 49.8 | Very low | 84 Ų | 84 | 101.9 Ų | 101.9 | 45% | 0.449 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -83.7 | -33 | 172.4 | -160.1 | 5.7 | 0 | 0 | 0 | 111 | G555 A556 I557 K563 | G555-N559 WeakPolarHBondContact O-CB 3.18Å; G555-N559 PolarHBondContact O-N 3.09Å; G555-N559 VanDerWaalsContact O-N 3.09Å; A556-N559 CarbonylContact O-C 3.54Å; A556-N559 WeakPolarHBondContact O-CB 3.35Å; A556-N559 PolarHBondContact O-N 3.41Å; A556-N559 VanDerWaalsContact O-N 3.09Å; I557-N559 PolarHBondContact O-N 3.07Å; N559-K563 WeakPolarHBondContact O-CD 3.41Å; N559-K563 VanDerWaalsContact O-CG 3.29Å; N559-K563 WeakPolarHBondContact O-CG 3.39Å; N559-K563 PolarHBondContact O-N 2.92Å; N559-K563 WeakPolarHBondContact OD1-CE 3.3Å; N559-K563 PolarHBondContact OD1-NZ 2.98Å |
| 560 | Y | 54.7 | Low | 51 | Low | 62 Ų | 62 | 101.9 Ų | 101.9 | 24% | 0.243 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -69.2 | -53 | 177.4 | -156.6 | -89.7 | 0 | 0 | 0 | 111.1 | A556 I557 R562 K563 H564 F585 G586 | A556-Y560 WeakPolarHBondContact O-CB 3.46Å; A556-Y560 PolarHBondContact O-N 3.45Å; I557-Y560 WeakPolarHBondContact O-CB 3.28Å; I557-Y560 PolarHBondContact O-N 3.31Å; I557-Y560 VanDerWaalsContact O-N 3.15Å; Y560-R562 PolarHBondContact O-N 2.83Å; Y560-K563 PolarHBondContact O-N 3.18Å; Y560-H564 HydrophobicContact CD1-CB 4.03Å; Y560-H564 AromaticContact CD1-CD2 3.68Å; Y560-H564 AromaticContact CD1-CG 3.91Å; Y560-H564 AromaticContact CD2-CD2 3.63Å; Y560-H564 AromaticContact CD2-NE2 3.75Å; Y560-H564 HydrophobicContact CE1-CB 3.79Å; Y560-H564 AromaticContact CE1-CD2 3.63Å; Y560-H564 AromaticContact CE1-CG 3.53Å; Y560-H564 AromaticContact CE2-CD2 3.58Å; Y560-H564 AromaticContact CE2-CE1 3.83Å; Y560-H564 AromaticContact CE2-NE2 3.42Å; Y560-H564 WeakPolarHBondContact CE2-NE2 3.3Å; Y560-H564 AromaticContact CG-CD2 3.68Å; Y560-H564 AromaticContact CZ-CD2 3.58Å; Y560-H564 AromaticContact CZ-CE1 3.74Å; Y560-H564 AromaticContact CZ-CG 3.66Å; Y560-H564 AromaticContact CZ-ND1 3.74Å; Y560-H564 AromaticContact CZ-NE2 3.7Å; Y560-H564 PolarHBondContact O-CD2 3.14Å; Y560-H564 PolarHBondContact O-N 2.93Å; Y560-F585 HydrophobicContact CD1-CB 4.08Å; Y560-F585 HydrophobicContact CD1-CD1 4.47Å; Y560-F585 HydrophobicContact CD1-CG 4.34Å; Y560-F585 HydrophobicContact CE1-CB 3.93Å; Y560-G586 PolarHBondContact OH-O 3.38Å |
| 561 | S | 55.3 | Low | 53 | Low | 40 Ų | 40 | 99.6 Ų | 99.6 | 28% | 0.28 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -11.3 | 177.6 | 63 | 0 | 0 | 0 | 0 | 114.5 | I557 | I557-S561 PolarHBondContact O-N 2.76Å; I557-S561 PolarHBondContact O-OG 3.28Å |
| 562 | R | 67.6 | Low | 54.3 | Low | 197 Ų | 197 | 96.9 Ų | 96.9 | 74% | 0.743 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -18.5 | 169.9 | -79.6 | -179.5 | 170.8 | -162.1 | -1.2 | 114.3 | L558 Y560 | L558-R562 WeakPolarHBondContact O-CD 3.35Å; L558-R562 VanDerWaalsContact O-CG 3.26Å; L558-R562 WeakPolarHBondContact O-CG 3.49Å; Y560-R562 PolarHBondContact O-N 2.83Å |
| 563 | K | 66.2 | Low | 55.3 | Low | 147 Ų | 147 | 93.9 Ų | 93.9 | 64% | 0.639 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.4 | -35.7 | -173.7 | -74.6 | 172.7 | 177.4 | 174 | 0 | 113.2 | N559 Y560 | N559-K563 WeakPolarHBondContact O-CD 3.41Å; N559-K563 VanDerWaalsContact O-CG 3.29Å; N559-K563 WeakPolarHBondContact O-CG 3.39Å; N559-K563 PolarHBondContact O-N 2.92Å; N559-K563 WeakPolarHBondContact OD1-CE 3.3Å; N559-K563 PolarHBondContact OD1-NZ 2.98Å; Y560-K563 PolarHBondContact O-N 3.18Å |
| 564 | H | 60 | Low | 55.8 | Low | 77 Ų | 77 | 91.8 Ų | 91.8 | 36% | 0.356 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -107.2 | 136.3 | -179.4 | -57.6 | -99.6 | 0 | 0 | 0 | 108.5 | Y560 F585 | Y560-H564 HydrophobicContact CD1-CB 4.03Å; Y560-H564 AromaticContact CD1-CD2 3.68Å; Y560-H564 AromaticContact CD1-CG 3.91Å; Y560-H564 AromaticContact CD2-CD2 3.63Å; Y560-H564 AromaticContact CD2-NE2 3.75Å; Y560-H564 HydrophobicContact CE1-CB 3.79Å; Y560-H564 AromaticContact CE1-CD2 3.63Å; Y560-H564 AromaticContact CE1-CG 3.53Å; Y560-H564 AromaticContact CE2-CD2 3.58Å; Y560-H564 AromaticContact CE2-CE1 3.83Å; Y560-H564 AromaticContact CE2-NE2 3.42Å; Y560-H564 WeakPolarHBondContact CE2-NE2 3.3Å; Y560-H564 AromaticContact CG-CD2 3.68Å; Y560-H564 AromaticContact CZ-CD2 3.58Å; Y560-H564 AromaticContact CZ-CE1 3.74Å; Y560-H564 AromaticContact CZ-CG 3.66Å; Y560-H564 AromaticContact CZ-ND1 3.74Å; Y560-H564 AromaticContact CZ-NE2 3.7Å; Y560-H564 PolarHBondContact O-CD2 3.14Å; Y560-H564 PolarHBondContact O-N 2.93Å; H564-F585 HydrophobicContact CB-CD1 4.42Å; H564-F585 WeakPolarHBondContact O-CE1 3.35Å |
| 565 | D | 62.3 | Low | 56.5 | Low | 145 Ų | 145 | 95.5 Ų | 95.5 | 78% | 0.775 | 49% | 0.485 | S | S | * | . | trans | -73 | 148.1 | 168.5 | -61.7 | -51.2 | 0 | 0 | 0 | 109 | ||||
| 566 | A | 57.7 | Low | 56.9 | Low | 35 Ų | 35 | 97.2 Ų | 97.2 | 29% | 0.289 | 49% | 0.49 | S | S | . | . | trans | -68.4 | 137.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | M568 E583 I584 F585 | A566-M568 VanDerWaalsContact C-N 3.29Å; A566-E583 HydrophobicContact CB-CB 4.05Å; A566-E583 HydrophobicContact CB-CG 4.44Å; A566-I584 CarbonylContact C-O 3.52Å; A566-F585 HydrophobicContact CB-CD1 4.15Å; A566-F585 HydrophobicContact CB-CE1 3.76Å; A566-F585 HydrophobicContact CB-CZ 3.99Å | ||
| 567 | L | 58.3 | Low | 57 | Low | 134 Ų | 134 | 101.3 Ų | 101.3 | 70% | 0.702 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -64.7 | -37.5 | 170.2 | -79.1 | -178.4 | 0 | 0 | 0 | 111.1 | I584 G586 | L567-I584 PolarHBondContact N-O 3.18Å; L567-G586 VanDerWaalsContact CD1-CA 3.4Å |
| 568 | M | 42.9 | Very low | 56.5 | Low | 63 Ų | 63 | 103.2 Ų | 103.2 | 31% | 0.31 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 140.1 | 177.4 | -164.3 | 165.9 | 65.6 | 0 | 0 | 110.1 | L422 A566 I584 | L422-M568 HydrophobicContact CD2-SD 4.11Å; A566-M568 VanDerWaalsContact C-N 3.29Å; M568-I584 HydrophobicContact CB-CB 4.46Å; M568-I584 HydrophobicContact CE-CD1 3.85Å; M568-I584 PolarHBondContact N-O 2.68Å; M568-I584 PolarHBondContact O-N 2.84Å |
| 569 | A | 53.6 | Low | 56.3 | Low | 46 Ų | 46 | 102.4 Ų | 102.4 | 38% | 0.38 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 116.7 | 178 | 0 | 0 | 0 | 0 | 0 | 108.8 | L581 T582 E583 | A569-L581 HydrophobicContact CB-CD1 4.05Å; A569-T582 WeakPolarHBondContact CA-O 3.44Å; A569-E583 HydrophobicContact CB-CG 4.37Å |
| 570 | Y | 50.7 | Low | 55.7 | Low | 108 Ų | 108 | 102.1 Ų | 102.1 | 42% | 0.424 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 141.9 | -177.7 | 65 | -92.6 | 0 | 0 | 0 | 112.4 | Y572 L581 T582 I584 | Y570-Y572 HydrophobicContact CD2-CD1 4.02Å; Y570-Y572 HydrophobicContact CE2-CD1 4.01Å; Y570-Y572 HydrophobicContact CE2-CE1 4.14Å; Y570-L581 WeakPolarHBondContact O-CA 3.3Å; Y570-T582 HydrophobicContact CD1-CG2 4.46Å; Y570-T582 HydrophobicContact CE1-CG2 3.62Å; Y570-T582 HydrophobicContact CE2-CG2 4.43Å; Y570-T582 PolarHBondContact N-O 3.31Å; Y570-T582 PolarHBondContact O-N 3.05Å; Y570-T582 WeakPolarHBondContact OH-CG2 3.5Å; Y570-I584 HydrophobicContact CE1-CD1 4.03Å; Y570-I584 HydrophobicContact CE1-CG1 4.43Å |
| 571 | Y | 67.8 | Low | 56 | Low | 123 Ų | 123 | 102.5 Ų | 102.5 | 48% | 0.482 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 128.3 | -175.4 | -57.7 | -98.3 | 0 | 0 | 0 | 109.3 | M579 K580 L581 | Y571-M579 HydrophobicContact CD1-CG 4.44Å; Y571-M579 HydrophobicContact CD1-SD 3.89Å; Y571-K580 WeakPolarHBondContact CA-O 3.39Å; Y571-L581 HydrophobicContact CD1-CB 4.36Å; Y571-L581 HydrophobicContact CD1-CD1 4.16Å; Y571-L581 HydrophobicContact CE1-CB 4.4Å; Y571-L581 HydrophobicContact CE1-CD1 3.85Å; Y571-L581 HydrophobicContact CE1-CD2 4.39Å; Y571-L581 HydrophobicContact CE1-CG 4.44Å; Y571-L581 HydrophobicContact CE2-CD1 4.28Å |
| 572 | Y | 58.3 | Low | 56.3 | Low | 112 Ų | 112 | 102.5 Ų | 102.5 | 44% | 0.439 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 157.5 | 177.8 | 63.9 | -81.5 | 0 | 0 | 0 | 110.2 | Y570 M579 K580 | Y570-Y572 HydrophobicContact CD2-CD1 4.02Å; Y570-Y572 HydrophobicContact CE2-CD1 4.01Å; Y570-Y572 HydrophobicContact CE2-CE1 4.14Å; Y572-M579 CarbonylContact O-C 3.5Å; Y572-M579 WeakPolarHBondContact O-CA 3.37Å; Y572-K580 HydrophobicContact CD1-CB 3.84Å; Y572-K580 HydrophobicContact CD2-CB 4Å; Y572-K580 HydrophobicContact CD2-CG 4.08Å; Y572-K580 HydrophobicContact CE1-CB 3.44Å; Y572-K580 VanDerWaalsContact CE1-CB 3.44Å; Y572-K580 HydrophobicContact CE1-CG 4.29Å; Y572-K580 HydrophobicContact CE2-CB 3.63Å; Y572-K580 HydrophobicContact CE2-CG 3.56Å; Y572-K580 HydrophobicContact CG-CB 4.1Å; Y572-K580 PolarHBondContact N-O 3.22Å; Y572-K580 PolarHBondContact O-N 2.95Å |
| 573 | T | 55.2 | Low | 56 | Low | 87 Ų | 87 | 97.7 Ų | 97.7 | 53% | 0.534 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 133.5 | 169.6 | 42 | 0 | 0 | 0 | 0 | 110 | R578 | T573-R578 WeakPolarHBondContact CA-O 3.39Å |
| 574 | D | 64.1 | Low | 55.7 | Low | 36 Ų | 36 | 94.3 Ų | 94.3 | 19% | 0.193 | 47% | 0.472 | C | S | . | . | trans | -73.9 | 172.3 | 166.3 | 69.6 | 13.3 | 0 | 0 | 0 | 112 | S576 N577 R578 K580 | D574-S576 PolarHBondContact O-N 2.68Å; D574-S576 VanDerWaalsContact OD1-CA 3.31Å; D574-S576 WeakPolarHBondContact OD1-CA 3.26Å; D574-S576 VanDerWaalsContact OD1-CB 3.26Å; D574-S576 WeakPolarHBondContact OD1-CB 3.33Å; D574-S576 PolarHBondContact OD1-N 2.96Å; D574-N577 WeakPolarHBondContact O-CA 3.26Å; D574-N577 PolarHBondContact O-N 3.39Å; D574-N577 PolarHBondContact OD1-N 2.85Å; D574-R578 PolarHBondContact N-O 2.77Å; D574-R578 VanDerWaalsContact OD1-CB 3.31Å; D574-R578 WeakPolarHBondContact OD1-CB 3.49Å; D574-R578 PolarHBondContact OD1-N 2.79Å; D574-K580 HydrophobicContact CB-CG 4.39Å; D574-K580 VanDerWaalsContact CG-CE 3.42Å; D574-K580 WeakPolarHBondContact OD2-CE 3.2Å; D574-K580 IonicContact OD2-NZ 3.7Å; D574-K580 PolarHBondContact OD2-NZ 3.35Å | ||
| 575 | E | 55 | Low | 55.9 | Low | 206 Ų | 206 | 92.8 Ų | 92.8 | 96% | 0.963 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -19.8 | 176.1 | -58.7 | 176.8 | 167.5 | 0 | 0 | 113.5 | N577 | E575-N577 VanDerWaalsContact C-N 3.32Š|
| 576 | S | 52.5 | Low | 55.2 | Low | 84 Ų | 84 | 87.3 Ų | 87.3 | 59% | 0.587 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | 14 | 175.2 | -63.9 | 0 | 0 | 0 | 0 | 113.3 | D574 R578 | D574-S576 PolarHBondContact O-N 2.68Å; D574-S576 VanDerWaalsContact OD1-CA 3.31Å; D574-S576 WeakPolarHBondContact OD1-CA 3.26Å; D574-S576 VanDerWaalsContact OD1-CB 3.26Å; D574-S576 WeakPolarHBondContact OD1-CB 3.33Å; D574-S576 PolarHBondContact OD1-N 2.96Å; S576-R578 PolarHBondContact O-N 3.39Å |
| 577 | N | 51.1 | Low | 54.9 | Low | 140 Ų | 140 | 91.6 Ų | 91.6 | 75% | 0.749 | 47% | 0.465 | S | S | * | . | S | Bend | trans | 55.6 | 23.7 | -172.6 | -83.9 | -47.3 | 0 | 0 | 0 | 114.2 | D574 E575 | D574-N577 WeakPolarHBondContact O-CA 3.26Å; D574-N577 PolarHBondContact O-N 3.39Å; D574-N577 PolarHBondContact OD1-N 2.85Å; E575-N577 VanDerWaalsContact C-N 3.32Å |
| 578 | R | 39.2 | Very low | 54.3 | Low | 138 Ų | 138 | 93.2 Ų | 93.2 | 52% | 0.521 | 47% | 0.469 | S | S | . | . | trans | -90.1 | 126.2 | 175.6 | -54.4 | 176.2 | -179.4 | -121.5 | -1.9 | 108.9 | T573 D574 S576 K580 | T573-R578 WeakPolarHBondContact CA-O 3.39Å; D574-R578 PolarHBondContact N-O 2.77Å; D574-R578 VanDerWaalsContact OD1-CB 3.31Å; D574-R578 WeakPolarHBondContact OD1-CB 3.49Å; D574-R578 PolarHBondContact OD1-N 2.79Å; S576-R578 PolarHBondContact O-N 3.39Å; R578-K580 PolarHBondContact O-N 3.27Å | ||
| 579 | M | 49.5 | Very low | 54 | Low | 86 Ų | 86 | 94.9 Ų | 94.9 | 42% | 0.424 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 139 | 170 | -167.2 | 179.8 | -73 | 0 | 0 | 110 | F531 Y571 Y572 | F531-M579 WeakPolarHBondContact CE1-O 3.41Å; F531-M579 HydrophobicContact CE2-CB 3.94Å; F531-M579 HydrophobicContact CE2-CG 3.91Å; F531-M579 HydrophobicContact CE2-SD 3.75Å; F531-M579 HydrophobicContact CZ-CB 3.76Å; F531-M579 HydrophobicContact CZ-CG 3.82Å; F531-M579 WeakPolarHBondContact CZ-O 3.15Å; F531-M579 HydrophobicContact CZ-SD 4.27Å; Y571-M579 HydrophobicContact CD1-CG 4.44Å; Y571-M579 HydrophobicContact CD1-SD 3.89Å; Y572-M579 CarbonylContact O-C 3.5Å; Y572-M579 WeakPolarHBondContact O-CA 3.37Å |
| 580 | K | 48.6 | Very low | 53 | Low | 78 Ų | 78 | 101 Ų | 101 | 34% | 0.339 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 159.6 | 173 | -58.2 | -74.8 | 176.1 | 163.8 | 0 | 108 | Y571 Y572 D574 R578 | Y571-K580 WeakPolarHBondContact CA-O 3.39Å; Y572-K580 HydrophobicContact CD1-CB 3.84Å; Y572-K580 HydrophobicContact CD2-CB 4Å; Y572-K580 HydrophobicContact CD2-CG 4.08Å; Y572-K580 HydrophobicContact CE1-CB 3.44Å; Y572-K580 VanDerWaalsContact CE1-CB 3.44Å; Y572-K580 HydrophobicContact CE1-CG 4.29Å; Y572-K580 HydrophobicContact CE2-CB 3.63Å; Y572-K580 HydrophobicContact CE2-CG 3.56Å; Y572-K580 HydrophobicContact CG-CB 4.1Å; Y572-K580 PolarHBondContact N-O 3.22Å; Y572-K580 PolarHBondContact O-N 2.95Å; D574-K580 HydrophobicContact CB-CG 4.39Å; D574-K580 VanDerWaalsContact CG-CE 3.42Å; D574-K580 WeakPolarHBondContact OD2-CE 3.2Å; D574-K580 IonicContact OD2-NZ 3.7Å; D574-K580 PolarHBondContact OD2-NZ 3.35Å; R578-K580 PolarHBondContact O-N 3.27Å |
| 581 | L | 59.2 | Low | 52.1 | Low | 70 Ų | 70 | 101.8 Ų | 101.8 | 37% | 0.366 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 130.4 | 174.3 | 167.7 | 60.7 | 0 | 0 | 0 | 107.2 | A569 Y570 Y571 E583 | A569-L581 HydrophobicContact CB-CD1 4.05Å; Y570-L581 WeakPolarHBondContact O-CA 3.3Å; Y571-L581 HydrophobicContact CD1-CB 4.36Å; Y571-L581 HydrophobicContact CD1-CD1 4.16Å; Y571-L581 HydrophobicContact CE1-CB 4.4Å; Y571-L581 HydrophobicContact CE1-CD1 3.85Å; Y571-L581 HydrophobicContact CE1-CD2 4.39Å; Y571-L581 HydrophobicContact CE1-CG 4.44Å; Y571-L581 HydrophobicContact CE2-CD1 4.28Å; L581-E583 HydrophobicContact CD1-CG 4.03Å; L581-E583 HydrophobicContact CD2-CG 4.16Å; L581-E583 HydrophobicContact CG-CG 4Å |
| 582 | T | 62.7 | Low | 50.6 | Low | 41 Ų | 41 | 102.5 Ų | 102.5 | 25% | 0.252 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 131.3 | 164.1 | -56.9 | 0 | 0 | 0 | 0 | 108.6 | A569 Y570 | A569-T582 WeakPolarHBondContact CA-O 3.44Å; Y570-T582 HydrophobicContact CD1-CG2 4.46Å; Y570-T582 HydrophobicContact CE1-CG2 3.62Å; Y570-T582 HydrophobicContact CE2-CG2 4.43Å; Y570-T582 PolarHBondContact N-O 3.31Å; Y570-T582 PolarHBondContact O-N 3.05Å; Y570-T582 WeakPolarHBondContact OH-CG2 3.5Å |
| 583 | E | 61.2 | Low | 49.2 | Very low | 96 Ų | 96 | 102.8 Ų | 102.8 | 45% | 0.449 | 57% | 0.567 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.7 | 127 | 176.5 | -64.2 | 175.5 | 148.5 | 0 | 0 | 109 | A566 A569 L581 F585 | A566-E583 HydrophobicContact CB-CB 4.05Å; A566-E583 HydrophobicContact CB-CG 4.44Å; A569-E583 HydrophobicContact CB-CG 4.37Å; L581-E583 HydrophobicContact CD1-CG 4.03Å; L581-E583 HydrophobicContact CD2-CG 4.16Å; L581-E583 HydrophobicContact CG-CG 4Å; E583-F585 HydrophobicContact CB-CD2 4.4Å; E583-F585 HydrophobicContact CB-CE2 3.48Å; E583-F585 VanDerWaalsContact CB-CE2 3.48Å; E583-F585 HydrophobicContact CB-CZ 3.71Å; E583-F585 HydrophobicContact CG-CZ 4.49Å |
| 584 | I | 60.1 | Low | 48.2 | Very low | 75 Ų | 75 | 105.3 Ų | 105.3 | 39% | 0.385 | 58% | 0.582 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.3 | 127.4 | 175.4 | -63.6 | 174.1 | 0 | 0 | 0 | 107.7 | A566 L567 M568 Y570 | A566-I584 CarbonylContact C-O 3.52Å; L567-I584 PolarHBondContact N-O 3.18Å; M568-I584 HydrophobicContact CB-CB 4.46Å; M568-I584 HydrophobicContact CE-CD1 3.85Å; M568-I584 PolarHBondContact N-O 2.68Å; M568-I584 PolarHBondContact O-N 2.84Å; Y570-I584 HydrophobicContact CE1-CD1 4.03Å; Y570-I584 HydrophobicContact CE1-CG1 4.43Å |
| 585 | F | 63.4 | Low | 46.6 | Very low | 46 Ų | 46 | 114.7 Ų | 114.7 | 20% | 0.202 | 62% | 0.615 | C | S | . | * | trans | -113.3 | 140.3 | 179.8 | -60.6 | -91 | 0 | 0 | 0 | 110.4 | Y560 H564 A566 E583 | Y560-F585 HydrophobicContact CD1-CB 4.08Å; Y560-F585 HydrophobicContact CD1-CD1 4.47Å; Y560-F585 HydrophobicContact CD1-CG 4.34Å; Y560-F585 HydrophobicContact CE1-CB 3.93Å; H564-F585 HydrophobicContact CB-CD1 4.42Å; H564-F585 WeakPolarHBondContact O-CE1 3.35Å; A566-F585 HydrophobicContact CB-CD1 4.15Å; A566-F585 HydrophobicContact CB-CE1 3.76Å; A566-F585 HydrophobicContact CB-CZ 3.99Å; E583-F585 HydrophobicContact CB-CD2 4.4Å; E583-F585 HydrophobicContact CB-CE2 3.48Å; E583-F585 VanDerWaalsContact CB-CE2 3.48Å; E583-F585 HydrophobicContact CB-CZ 3.71Å; E583-F585 HydrophobicContact CG-CZ 4.49Å | ||
| 586 | G | 48.9 | Very low | 45.2 | Very low | 30 Ų | 30 | 110.1 Ų | 110.1 | 31% | 0.309 | 61% | 0.606 | S | S | . | * | trans | -75.5 | 127.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y560 L567 | Y560-G586 PolarHBondContact OH-O 3.38Å; L567-G586 VanDerWaalsContact CD1-CA 3.4Å | ||
| 587 | V | 51.4 | Low | 44.3 | Very low | 125 Ų | 125 | 111.9 Ų | 111.9 | 76% | 0.758 | 62% | 0.618 | S | S | * | * | trans | -95.6 | 103.4 | 175.6 | -176.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 588 | E | 45.5 | Very low | 43.1 | Very low | 167 Ų | 167 | 110.6 Ų | 110.6 | 78% | 0.78 | 62% | 0.62 | S | S | * | * | trans | -73.9 | 128.3 | 165 | -68.1 | -176.1 | 168.5 | 0 | 0 | 108.7 | E590 | E588-E590 PolarHBondContact O-N 3.39Š| ||
| 589 | A | 36.3 | Very low | 42.9 | Very low | 98 Ų | 98 | 109.7 Ų | 109.7 | 81% | 0.81 | 63% | 0.632 | S | S | * | * | trans | -79.2 | 115.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 590 | E | 31.4 | Very low | 41.9 | Very low | 176 Ų | 176 | 111.4 Ų | 111.4 | 82% | 0.822 | 65% | 0.647 | S | S | * | * | trans | -64.4 | 139.9 | 174.8 | -77.6 | -158.4 | 172.7 | 0 | 0 | 111.6 | E588 T592 | E588-E590 PolarHBondContact O-N 3.39Å; E590-T592 PolarHBondContact O-N 3.1Å | ||
| 591 | P | 33.6 | Very low | 40.9 | Very low | 124 Ų | 124 | 117.5 Ų | 117.5 | 81% | 0.805 | 67% | 0.669 | S | S | * | * | trans | -73 | 94.7 | 178 | 29.9 | -34.4 | 0 | 0 | 0 | 110.9 | S593 | P591-S593 PolarHBondContact O-N 3.3Å; P591-S593 VanDerWaalsContact O-N 3.1Å | ||
| 592 | T | 35.2 | Very low | 39.4 | Very low | 137 Ų | 137 | 126 Ų | 126 | 84% | 0.84 | 70% | 0.697 | S | S | * | * | trans | -59.5 | 112.2 | 178.6 | 47.7 | 0 | 0 | 0 | 0 | 111.9 | E590 | E590-T592 PolarHBondContact O-N 3.1Š| ||
| 593 | S | 29.7 | Very low | 37.8 | Very low | 118 Ų | 118 | 130.5 Ų | 130.5 | 83% | 0.825 | 72% | 0.719 | S | S | * | * | trans | -106.2 | 111.3 | 172.3 | 58.5 | 0 | 0 | 0 | 0 | 110.7 | P591 | P591-S593 PolarHBondContact O-N 3.3Å; P591-S593 VanDerWaalsContact O-N 3.1Å | ||
| 594 | V | 34.4 | Very low | 36.5 | Very low | 140 Ų | 140 | 130.8 Ų | 130.8 | 85% | 0.848 | 72% | 0.724 | S | S | * | * | trans | -131.1 | 145 | 176.8 | -176.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 595 | R | 29.8 | Very low | 35.2 | Very low | 234 Ų | 234 | 134.9 Ų | 134.9 | 88% | 0.883 | 74% | 0.741 | S | S | * | * | trans | -92.5 | 133.6 | -166.4 | -70.4 | 175.5 | 169.5 | 167 | -5 | 113.7 | ||||
| 596 | S | 26 | Very low | 33.7 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | trans | 34.2 | 115.6 | 141.4 | 65 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 597 | S | 33.4 | Very low | 32.8 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | -156 | 116.8 | 129.3 | 58.2 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 598 | S | 26.2 | Very low | 31.6 | Very low | 113 Ų | 113 | 141.5 Ų | 141.5 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -75.7 | 179.1 | 167.2 | -42.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 599 | P | 34.2 | Very low | 30.9 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | cis | -127.6 | -162.2 | 9.7 | 27.7 | -0.2 | 0 | 0 | 0 | 112 | ||||
| 600 | V | 29.8 | Very low | 30.7 | Very low | 122 Ų | 122 | 142 Ų | 142 | 74% | 0.739 | 80% | 0.798 | S | S | * | * | cis | -154.3 | 149.3 | 31.8 | 174.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 601 | Y | 26 | Very low | 30.6 | Very low | 206 Ų | 206 | 141 Ų | 141 | 81% | 0.808 | 79% | 0.793 | S | S | * | * | trans | -19 | 138 | 162.1 | -82.2 | -105.7 | 0 | 0 | 0 | 120 | ||||
| 602 | R | 28.6 | Very low | 30.3 | Very low | 250 Ų | 250 | 142 Ų | 142 | 94% | 0.943 | 79% | 0.792 | S | S | * | * | -154.2 | 165.3 | 97.7 | -109.8 | 178.3 | -179.1 | 177.6 | 1 | 112.1 | |||||
| 603 | N | 29.3 | Very low | 30.1 | Very low | 134 Ų | 134 | 142.7 Ų | 142.7 | 72% | 0.717 | 79% | 0.791 | S | S | * | * | trans | -143.2 | 167.1 | -163.3 | -168 | 19.5 | 0 | 0 | 0 | 111.7 | ||||
| 604 | N | 33 | Very low | 30.1 | Very low | 103 Ų | 103 | 144.6 Ų | 144.6 | 55% | 0.551 | 79% | 0.791 | S | S | * | * | trans | 109.7 | 119.5 | 159.2 | -61.7 | -1.4 | 0 | 0 | 0 | 118.5 | ||||
| 605 | Q | 32.9 | Very low | 29.9 | Very low | 161 Ų | 161 | 144.9 Ų | 144.9 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | 68.5 | 144.6 | 125.3 | -61.4 | 167.2 | -3 | 0 | 0 | 118.8 | |||||
| 606 | T | 32.7 | Very low | 30 | Very low | 136 Ų | 136 | 140.7 Ų | 140.7 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | cis | -163.1 | 144 | -2 | 9.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 607 | G | 29.3 | Very low | 30.3 | Very low | 70 Ų | 70 | 140.9 Ų | 140.9 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | 61.2 | 116.3 | 138.3 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 608 | C | 26.1 | Very low | 29.8 | Very low | 134 Ų | 134 | 138.6 Ų | 138.6 | 91% | 0.905 | 79% | 0.785 | S | S | * | * | 176.6 | 131.2 | 113.9 | -98.1 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 609 | P | 30.5 | Very low | 29.8 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | trans | -107.3 | 158.8 | 173.8 | 39 | -31.8 | 0 | 0 | 0 | 113.2 | ||||
| 610 | L | 32.9 | Very low | 29.2 | Very low | 151 Ų | 151 | 140.8 Ų | 140.8 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -156.2 | 132.1 | 161.7 | -108.3 | 163.8 | 0 | 0 | 0 | 111.4 | ||||
| 611 | E | 30.1 | Very low | 29.1 | Very low | 155 Ų | 155 | 143 Ų | 143 | 72% | 0.724 | 79% | 0.794 | S | S | * | * | trans | 17.9 | 116.7 | 157.2 | -70.4 | 172.7 | 132.5 | 0 | 0 | 119.8 | ||||
| 612 | N | 26 | Very low | 28.9 | Very low | 146 Ų | 146 | 137.1 Ų | 137.1 | 78% | 0.781 | 79% | 0.788 | S | S | * | * | 74.1 | 112.5 | 76 | -76.4 | -19.9 | 0 | 0 | 0 | 113.8 | |||||
| 613 | D | 31.9 | Very low | 28.7 | Very low | 152 Ų | 152 | 129.8 Ų | 129.8 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | -155.6 | 148.1 | 130.2 | -128.3 | -22.2 | 0 | 0 | 0 | 114 | ||||
| 614 | L | 29.7 | Very low | 28.5 | Very low | 158 Ų | 158 | 132.8 Ų | 132.8 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | trans | 39.7 | 107.9 | 163.1 | -67.4 | 161.3 | 0 | 0 | 0 | 121 | ||||
| 615 | V | 29.7 | Very low | 28 | Very low | 145 Ų | 145 | 134.3 Ų | 134.3 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 132 | 162 | 174.4 | 0 | 0 | 0 | 0 | 109.9 | ||
| 616 | D | 32.7 | Very low | 27.7 | Very low | 147 Ų | 147 | 130 Ų | 130 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 156.5 | 170.2 | -152.5 | -17 | 0 | 0 | 0 | 112.5 | ||
| 617 | S | 31.6 | Very low | 27.3 | Very low | 112 Ų | 112 | 133.2 Ų | 133.2 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 147.7 | -168.5 | 55.6 | 0 | 0 | 0 | 0 | 115.6 | ||
| 618 | G | 23.5 | Very low | 27.2 | Very low | 74 Ų | 74 | 134.4 Ų | 134.4 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | trans | -129.4 | 154.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 619 | I | 25.9 | Very low | 27.1 | Very low | 170 Ų | 170 | 137 Ų | 137 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | trans | -128.2 | 129.2 | 163.7 | -63.1 | -179.4 | 0 | 0 | 0 | 107.6 | ||||
| 620 | S | 21.3 | Very low | 27 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | trans | -123.5 | 131.1 | 178.4 | 176 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 621 | I | 26.6 | Very low | 26.7 | Very low | 169 Ų | 169 | 134.4 Ų | 134.4 | 87% | 0.867 | 81% | 0.811 | S | S | * | * | trans | -135.2 | 133.7 | 160.8 | -59 | -177.8 | 0 | 0 | 0 | 106.2 | ||||
| 622 | A | 23.3 | Very low | 26.5 | Very low | 83 Ų | 83 | 131 Ų | 131 | 69% | 0.686 | 82% | 0.817 | S | S | * | * | trans | -120.2 | 171.3 | -165.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 623 | A | 23.5 | Very low | 26.7 | Very low | 95 Ų | 95 | 128.3 Ų | 128.3 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | 71.5 | 150.6 | 176 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 624 | E | 24.9 | Very low | 26.6 | Very low | 197 Ų | 197 | 128.8 Ų | 128.8 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | cis | -116.1 | 165.1 | 9.5 | -68.8 | -176.3 | 112.6 | 0 | 0 | 114.5 | ||||
| 625 | C | 23.6 | Very low | 26.7 | Very low | 136 Ų | 136 | 131.3 Ų | 131.3 | 92% | 0.919 | 81% | 0.811 | S | S | * | * | trans | -100 | 133.7 | -179.4 | 172.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 626 | G | 25.5 | Very low | 26.9 | Very low | 71 Ų | 71 | 134.2 Ų | 134.2 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | trans | -147.8 | 34.2 | -159.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 627 | K | 25.9 | Very low | 26.9 | Very low | 202 Ų | 202 | 135.7 Ų | 135.7 | 88% | 0.878 | 81% | 0.805 | S | S | * | * | trans | 72.4 | 133.1 | 169.9 | -55.2 | 170.7 | -179 | 171.1 | 0 | 117.2 | ||||
| 628 | A | 25.7 | Very low | 27.1 | Very low | 96 Ų | 96 | 137 Ų | 137 | 79% | 0.793 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -75 | 148.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 629 | H | 25.6 | Very low | 27.6 | Very low | 187 Ų | 187 | 140 Ų | 140 | 87% | 0.866 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 122.4 | 164.5 | -95.5 | -91.3 | 0 | 0 | 0 | 109.7 | ||
| 630 | P | 27.8 | Very low | 28.1 | Very low | 116 Ų | 116 | 140 Ų | 140 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 148.4 | 170.6 | 31.4 | -33.7 | 0 | 0 | 0 | 110.9 | ||
| 631 | A | 26.8 | Very low | 28.9 | Very low | 104 Ų | 104 | 140.6 Ų | 140.6 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -66 | 162.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 632 | G | 25.9 | Very low | 29.3 | Very low | 83 Ų | 83 | 142.6 Ų | 142.6 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | trans | 89.9 | 64.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 633 | S | 28.5 | Very low | 29.9 | Very low | 91 Ų | 91 | 146.1 Ų | 146.1 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | trans | -146.2 | 27.2 | 168.4 | -170.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 634 | L | 31.3 | Very low | 30.6 | Very low | 161 Ų | 161 | 150.4 Ų | 150.4 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -80.9 | -21.7 | 176.7 | -129.7 | 145.8 | 0 | 0 | 0 | 113.3 | ||
| 635 | R | 32.1 | Very low | 31.2 | Very low | 211 Ų | 211 | 147.6 Ų | 147.6 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -89 | -9.6 | -175.2 | -142 | 171.1 | -169.4 | 156.2 | 5.8 | 116.2 | ||
| 636 | R | 32.5 | Very low | 31.7 | Very low | 207 Ų | 207 | 149.6 Ų | 149.6 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -103.4 | 0.3 | -173.3 | -80.9 | -175 | 173.5 | 171.5 | 0.1 | 116.4 | ||
| 637 | K | 33.9 | Very low | 32.1 | Very low | 178 Ų | 178 | 150.3 Ų | 150.3 | 77% | 0.774 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -90.7 | -16.5 | 179.6 | -106.6 | -179.2 | 177.5 | 179 | 0 | 115.1 | ||
| 638 | L | 35.3 | Very low | 32.3 | Very low | 138 Ų | 138 | 151 Ų | 151 | 72% | 0.723 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -90 | -25.9 | -176.9 | -86.6 | 161.3 | 0 | 0 | 0 | 114.6 | ||
| 639 | E | 33.2 | Very low | 32.5 | Very low | 139 Ų | 139 | 153.8 Ų | 153.8 | 65% | 0.65 | 78% | 0.775 | S | S | * | * | H | α-helix | trans | -72.8 | -36.1 | -179.1 | -68.7 | 179.2 | 130.1 | 0 | 0 | 112.7 | I641 R642 | E639-I641 PolarHBondContact O-N 3.34Å; E639-I641 VanDerWaalsContact O-N 3.07Å; E639-R642 WeakPolarHBondContact O-CB 3.39Å; E639-R642 PolarHBondContact O-N 2.91Å |
| 640 | K | 36.9 | Very low | 32.7 | Very low | 170 Ų | 170 | 150.6 Ų | 150.6 | 74% | 0.739 | 77% | 0.773 | S | S | * | * | H | α-helix | trans | -68.9 | -3.6 | 178.3 | -80.2 | -166.2 | 170.6 | -173.1 | 0 | 115.7 | ||
| 641 | I | 38.3 | Very low | 32.9 | Very low | 119 Ų | 119 | 148.1 Ų | 148.1 | 61% | 0.61 | 77% | 0.769 | S | S | * | * | H | α-helix | trans | -92.2 | -21.3 | 169.3 | -63.8 | 178.5 | 0 | 0 | 0 | 110.8 | E639 | E639-I641 PolarHBondContact O-N 3.34Å; E639-I641 VanDerWaalsContact O-N 3.07Å |
| 642 | R | 34.4 | Very low | 33.1 | Very low | 211 Ų | 211 | 150.7 Ų | 150.7 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | H | α-helix | trans | -80.7 | -24.7 | -176.3 | -155.6 | 169.7 | -172 | 164.1 | 2.3 | 113.7 | E639 K644 | E639-R642 WeakPolarHBondContact O-CB 3.39Å; E639-R642 PolarHBondContact O-N 2.91Å; R642-K644 PolarHBondContact O-N 3.49Å |
| 643 | E | 35.9 | Very low | 33.3 | Very low | 156 Ų | 156 | 155.5 Ų | 155.5 | 73% | 0.729 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -11.3 | -178.7 | -63.9 | -178.2 | 130.9 | 0 | 0 | 114.4 | ||
| 644 | K | 38.7 | Very low | 33.5 | Very low | 186 Ų | 186 | 159.6 Ų | 159.6 | 81% | 0.809 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -5.6 | -177.6 | -96.7 | -171.4 | 172.1 | -173 | 0 | 116 | R642 | R642-K644 PolarHBondContact O-N 3.49Š|
| 645 | N | 37.7 | Very low | 33.5 | Very low | 137 Ų | 137 | 155.2 Ų | 155.2 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -103.3 | 20 | -175.1 | -70 | -4.6 | 0 | 0 | 0 | 114.3 | ||
| 646 | H | 34.1 | Very low | 33.2 | Very low | 179 Ų | 179 | 153.4 Ų | 153.4 | 83% | 0.829 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -122.9 | 17.7 | -178.1 | -91.3 | -68.4 | 0 | 0 | 0 | 114.9 | ||
| 647 | A | 34 | Very low | 33.1 | Very low | 86 Ų | 86 | 148.7 Ų | 148.7 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | trans | -133.5 | 54 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 648 | F | 29.4 | Very low | 32.9 | Very low | 217 Ų | 217 | 144.7 Ų | 144.7 | 95% | 0.952 | 77% | 0.77 | S | S | * | * | trans | -151.1 | 60 | 173.7 | -125.4 | -77.7 | 0 | 0 | 0 | 112.9 | ||||
| 649 | D | 29.4 | Very low | 32.5 | Very low | 154 Ų | 154 | 143.6 Ų | 143.6 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | trans | -145.3 | 157.7 | 166 | -161 | -2 | 0 | 0 | 0 | 110.3 | ||||
| 650 | S | 31.5 | Very low | 32.3 | Very low | 120 Ų | 120 | 143.2 Ų | 143.2 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | trans | 70.2 | 141.4 | -172.3 | 78.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 651 | G | 30.4 | Very low | 31.8 | Very low | 64 Ų | 64 | 139.7 Ų | 139.7 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | trans | 107.1 | 64.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 652 | I | 32.2 | Very low | 31.5 | Very low | 157 Ų | 157 | 142.1 Ų | 142.1 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | 60.5 | 95.2 | 93.3 | -59.8 | 173.4 | 0 | 0 | 0 | 112.1 | |||||
| 653 | K | 30.1 | Very low | 31 | Very low | 184 Ų | 184 | 137.1 Ų | 137.1 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | 89.2 | 143.5 | 78.6 | -105.9 | -178.8 | 177.6 | 177.1 | 0 | 114.5 | |||||
| 654 | L | 33.1 | Very low | 30.9 | Very low | 177 Ų | 177 | 138.8 Ų | 138.8 | 93% | 0.927 | 80% | 0.804 | S | S | * | * | trans | 74 | 144.9 | 174.5 | -54.2 | 155.4 | 0 | 0 | 0 | 114.5 | ||||
| 655 | G | 30.7 | Very low | 30.6 | Very low | 70 Ų | 70 | 135 Ų | 135 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | cis | -162.1 | 173.5 | -2.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 656 | L | 26 | Very low | 30 | Very low | 173 Ų | 173 | 139.2 Ų | 139.2 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | trans | -89.8 | 149.1 | -177 | -57.2 | 89.3 | 0 | 0 | 0 | 112.3 | ||||
| 657 | S | 29.2 | Very low | 30.1 | Very low | 107 Ų | 107 | 136.4 Ų | 136.4 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | 155 | 150.9 | 112.1 | 71.3 | 0 | 0 | 0 | 0 | 116 | |||||
| 658 | S | 29.5 | Very low | 29.9 | Very low | 94 Ų | 94 | 138.7 Ų | 138.7 | 66% | 0.657 | 81% | 0.811 | S | S | * | * | trans | 59 | 111 | 146.6 | 61.5 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 659 | S | 27.3 | Very low | 29.9 | Very low | 116 Ų | 116 | 134.7 Ų | 134.7 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | 61.3 | 114.2 | 118 | -49.3 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 660 | S | 30 | Very low | 30 | Very low | 131 Ų | 131 | 137.4 Ų | 137.4 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | 168.2 | 167 | 115.9 | 51.2 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 661 | A | 26.2 | Very low | 30.2 | Very low | 96 Ų | 96 | 140.9 Ų | 140.9 | 79% | 0.793 | 81% | 0.807 | S | S | * | * | trans | -116.2 | 145.2 | -170 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 662 | I | 30.7 | Very low | 30.3 | Very low | 170 Ų | 170 | 140.8 Ų | 140.8 | 87% | 0.872 | 81% | 0.806 | S | S | * | * | trans | -132.8 | 141.1 | 165.5 | -62.9 | -176.9 | 0 | 0 | 0 | 108.9 | ||||
| 663 | S | 25.5 | Very low | 30.4 | Very low | 106 Ų | 106 | 141.1 Ų | 141.1 | 74% | 0.741 | 81% | 0.81 | S | S | * | * | trans | -122.1 | 147.2 | -174.2 | 168.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 664 | K | 33.1 | Very low | 30.7 | Very low | 191 Ų | 191 | 139.5 Ų | 139.5 | 83% | 0.83 | 82% | 0.815 | S | S | * | * | trans | 177.8 | 149.2 | 159.8 | -95.4 | 145.2 | -173.6 | -179.5 | 0 | 108.9 | ||||
| 665 | S | 31.6 | Very low | 30.5 | Very low | 105 Ų | 105 | 135.1 Ų | 135.1 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | cis | -173.8 | 134 | -23.7 | 45.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 666 | Y | 26.1 | Very low | 30.5 | Very low | 226 Ų | 226 | 143.4 Ų | 143.4 | 89% | 0.886 | 81% | 0.814 | S | S | * | * | trans | -99.9 | 149.7 | 172.6 | -82.7 | -89.9 | 0 | 0 | 0 | 112 | ||||
| 667 | P | 36.9 | Very low | 30.8 | Very low | 120 Ų | 120 | 143.9 Ų | 143.9 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | trans | -90.7 | 140.8 | 159.1 | 34.7 | -29.7 | 0 | 0 | 0 | 111.6 | ||||
| 668 | T | 30.1 | Very low | 30.8 | Very low | 134 Ų | 134 | 146.5 Ų | 146.5 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | trans | -128 | 154.5 | 174.5 | 59.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 669 | C | 29.1 | Very low | 30.7 | Very low | 133 Ų | 133 | 149.5 Ų | 149.5 | 90% | 0.899 | 82% | 0.815 | S | S | * | * | trans | -128.4 | 151.8 | 159.5 | -148.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 670 | R | 31.5 | Very low | 30.9 | Very low | 212 Ų | 212 | 151.8 Ų | 151.8 | 80% | 0.8 | 81% | 0.813 | S | S | * | * | trans | -110.4 | 172.5 | -176.4 | -89.4 | 168.8 | 162.3 | 176.1 | -5.4 | 108.3 | ||||
| 671 | K | 35.3 | Very low | 30.9 | Very low | 192 Ų | 192 | 154.7 Ų | 154.7 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | cis | -159.1 | 173 | 12.4 | -120.1 | 156.4 | 177.9 | -173.2 | 0 | 105.2 | ||||
| 672 | G | 33.3 | Very low | 31 | Very low | 63 Ų | 63 | 153.8 Ų | 153.8 | 65% | 0.649 | 81% | 0.812 | S | S | * | * | cis | -176.1 | -162.8 | 6.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 673 | N | 32.7 | Very low | 30.8 | Very low | 163 Ų | 163 | 153.8 Ų | 153.8 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | trans | -74.7 | 172.6 | -167.1 | -50.8 | -16.4 | 0 | 0 | 0 | 113.4 | ||||
| 674 | V | 36.1 | Very low | 30.9 | Very low | 151 Ų | 151 | 157 Ų | 157 | 92% | 0.915 | 81% | 0.809 | S | S | * | * | -150.9 | 175.2 | 51.6 | 174.3 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 675 | A | 30.6 | Very low | 30.7 | Very low | 84 Ų | 84 | 154.1 Ų | 154.1 | 69% | 0.694 | 81% | 0.808 | S | S | * | * | trans | -119.1 | 174.5 | -160.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 676 | R | 29.3 | Very low | 30.5 | Very low | 245 Ų | 245 | 154.5 Ų | 154.5 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | trans | 72.3 | 143.4 | 178.2 | -61.4 | 176.6 | 171.7 | 176.7 | -3.8 | 113.6 | ||||
| 677 | Q | 33.1 | Very low | 30.8 | Very low | 182 Ų | 182 | 149.1 Ų | 149.1 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | cis | -141.8 | -149.7 | 30.3 | -148.6 | 162.3 | -4.9 | 0 | 0 | 113.3 | ||||
| 678 | Q | 28.9 | Very low | 30.4 | Very low | 163 Ų | 163 | 148.3 Ų | 148.3 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | -105.6 | 163.2 | -164.1 | -68.7 | 165.1 | -76.7 | 0 | 0 | 115.1 | ||||
| 679 | Q | 28.4 | Very low | 30.3 | Very low | 157 Ų | 157 | 154.1 Ų | 154.1 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | trans | 87 | 138.9 | 144.5 | -93.8 | -175.9 | 13.2 | 0 | 0 | 122.3 | ||||
| 680 | Q | 30.3 | Very low | 30.2 | Very low | 163 Ų | 163 | 152 Ų | 152 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | trans | 80.6 | 155.8 | 152 | -67.7 | 180 | 42.7 | 0 | 0 | 121.1 | ||||
| 681 | H | 29.7 | Very low | 30.2 | Very low | 192 Ų | 192 | 149.7 Ų | 149.7 | 89% | 0.889 | 80% | 0.802 | S | S | * | * | trans | -56.7 | 154.2 | -162 | -55.7 | -63.4 | 0 | 0 | 0 | 117.3 | ||||
| 682 | G | 28.5 | Very low | 30 | Very low | 78 Ų | 78 | 145.4 Ų | 145.4 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | 178.3 | 98.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 683 | Q | 27.6 | Very low | 29.7 | Very low | 170 Ų | 170 | 149.5 Ų | 149.5 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | trans | -73.5 | 157.3 | -178.5 | -127.2 | -175.8 | 23.6 | 0 | 0 | 113.2 | ||||
| 684 | K | 27.7 | Very low | 29.5 | Very low | 174 Ų | 174 | 150.1 Ų | 150.1 | 76% | 0.757 | 80% | 0.804 | S | S | * | * | trans | 69.9 | 152.1 | 165.4 | -56.8 | 165.7 | -175.1 | 178.6 | 0 | 114.4 | ||||
| 685 | T | 28.5 | Very low | 28.9 | Very low | 130 Ų | 130 | 150.8 Ų | 150.8 | 80% | 0.798 | 80% | 0.801 | S | S | * | * | cis | -161.7 | 179.7 | -13.2 | 21.3 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 686 | C | 27.3 | Very low | 28.7 | Very low | 112 Ų | 112 | 157.9 Ų | 157.9 | 76% | 0.757 | 81% | 0.81 | S | S | * | * | cis | -157.7 | -165.5 | 13.7 | -149 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 687 | S | 31.9 | Very low | 28.7 | Very low | 114 Ų | 114 | 151.4 Ų | 151.4 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | trans | 75.9 | 149.6 | 165.5 | 76.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 688 | S | 28.2 | Very low | 28.4 | Very low | 103 Ų | 103 | 149.6 Ų | 149.6 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | cis | 150.9 | 115.9 | -30.1 | 174.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 689 | W | 27.9 | Very low | 28.4 | Very low | 255 Ų | 255 | 146.8 Ų | 146.8 | 97% | 0.966 | 80% | 0.802 | S | S | * | * | trans | -146.2 | 134.3 | 155.7 | -88.2 | 90.2 | 0 | 0 | 0 | 108 | ||||
| 690 | A | 27.4 | Very low | 28.3 | Very low | 89 Ų | 89 | 148.2 Ų | 148.2 | 74% | 0.736 | 81% | 0.809 | S | S | * | * | trans | -143.5 | 146 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 691 | I | 31.1 | Very low | 28.2 | Very low | 163 Ų | 163 | 146 Ų | 146 | 84% | 0.836 | 81% | 0.811 | S | S | * | * | trans | -135.7 | 138.9 | 170.3 | -63.6 | -176.5 | 0 | 0 | 0 | 107.5 | ||||
| 692 | P | 30.7 | Very low | 28.1 | Very low | 103 Ų | 103 | 144.3 Ų | 144.3 | 67% | 0.669 | 81% | 0.809 | S | S | * | * | trans | -117.5 | 170.4 | -154.1 | 42.4 | -32.8 | 0 | 0 | 0 | 116.2 | ||||
| 693 | N | 27.4 | Very low | 28 | Very low | 149 Ų | 149 | 146.4 Ų | 146.4 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | trans | 51.8 | 114.8 | 148 | -65.1 | -13.9 | 0 | 0 | 0 | 120.5 | ||||
| 694 | L | 28.5 | Very low | 28.1 | Very low | 175 Ų | 175 | 143.4 Ų | 143.4 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | trans | -148.4 | 97.3 | 137 | -117.9 | 169.6 | 0 | 0 | 0 | 110.9 | ||||
| 695 | L | 24.7 | Very low | 27.9 | Very low | 166 Ų | 166 | 144.3 Ų | 144.3 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | trans | -104.6 | 132.8 | 169.5 | -88.9 | 166.9 | 0 | 0 | 0 | 109.1 | ||||
| 696 | R | 26.6 | Very low | 27.8 | Very low | 233 Ų | 233 | 144.4 Ų | 144.4 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | trans | -154.7 | 143.7 | 157.1 | -142.6 | 174.7 | -168.5 | -160.8 | 0.3 | 114.4 | ||||
| 697 | S | 29.1 | Very low | 27.7 | Very low | 108 Ų | 108 | 148.9 Ų | 148.9 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | 55.3 | 96.5 | 160.2 | 49.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 698 | T | 25.3 | Very low | 27.4 | Very low | 144 Ų | 144 | 149.4 Ų | 149.4 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | trans | -85.5 | 138.9 | 151.2 | 46.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 699 | S | 30.4 | Very low | 27.3 | Very low | 104 Ų | 104 | 149.4 Ų | 149.4 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -163.9 | 100.3 | 156.6 | 54.2 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 700 | E | 26.6 | Very low | 27.4 | Very low | 187 Ų | 187 | 146.1 Ų | 146.1 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | 81.8 | 150.3 | 82.2 | -78.5 | -162.4 | 138.4 | 0 | 0 | 114.2 | |||||
| 701 | S | 27.1 | Very low | 27.6 | Very low | 117 Ų | 117 | 153.7 Ų | 153.7 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | 58.3 | 103.4 | -177.3 | 59.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 702 | D | 27.6 | Very low | 27.6 | Very low | 157 Ų | 157 | 149.2 Ų | 149.2 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | trans | -156.2 | 97.8 | 137 | -149.9 | 1.5 | 0 | 0 | 0 | 110.2 | D704 | D702-D704 PolarHBondContact O-N 2.89Š| ||
| 703 | P | 27.2 | Very low | 27.5 | Very low | 121 Ų | 121 | 155 Ų | 155 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | -100.6 | 79.3 | -167.2 | 37.5 | -33.8 | 0 | 0 | 0 | 113.7 | ||||
| 704 | D | 29.1 | Very low | 28.1 | Very low | 108 Ų | 108 | 149.4 Ų | 149.4 | 58% | 0.578 | 77% | 0.771 | S | S | * | * | trans | -129.5 | 57 | 178.9 | -140.5 | 11.1 | 0 | 0 | 0 | 113.6 | D702 L706 | D702-D704 PolarHBondContact O-N 2.89Å; D704-L706 VanDerWaalsContact C-N 3.28Å; D704-L706 PolarHBondContact O-N 3.31Å; D704-L706 WeakPolarHBondContact OD1-CD1 3.42Å | ||
| 705 | M | 24.6 | Very low | 28.4 | Very low | 193 Ų | 193 | 148.4 Ų | 148.4 | 95% | 0.951 | 77% | 0.766 | S | S | * | * | trans | -74.8 | 74.7 | 168.8 | -97 | -101.8 | -81.8 | 0 | 0 | 110.7 | ||||
| 706 | L | 26.4 | Very low | 28.9 | Very low | 132 Ų | 132 | 143.1 Ų | 143.1 | 69% | 0.691 | 74% | 0.743 | S | S | * | * | trans | -104.1 | 136.7 | 178.4 | -78.4 | 174.9 | 0 | 0 | 0 | 113.5 | D704 | D704-L706 VanDerWaalsContact C-N 3.28Å; D704-L706 PolarHBondContact O-N 3.31Å; D704-L706 WeakPolarHBondContact OD1-CD1 3.42Å | ||
| 707 | F | 23.5 | Very low | 29.4 | Very low | 206 Ų | 206 | 138.8 Ų | 138.8 | 90% | 0.904 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 133.3 | -172.9 | -85.1 | -117.1 | 0 | 0 | 0 | 112.7 | ||
| 708 | I | 27.3 | Very low | 29.2 | Very low | 125 Ų | 125 | 138.8 Ų | 138.8 | 64% | 0.641 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 133.9 | 163.4 | -57.9 | 175.5 | 0 | 0 | 0 | 107.6 | S712 | I708-S712 VanDerWaalsContact CG2-OG 3.29Å; I708-S712 WeakPolarHBondContact CG2-OG 3.37Å |
| 709 | P | 25 | Very low | 29.4 | Very low | 102 Ų | 102 | 139.3 Ų | 139.3 | 66% | 0.662 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 138.1 | 175 | -24.6 | 34.4 | 0 | 0 | 0 | 112.2 | R711 | P709-R711 PolarHBondContact O-N 3.16Š|
| 710 | E | 29.3 | Very low | 29.1 | Very low | 187 Ų | 187 | 141.6 Ų | 141.6 | 87% | 0.874 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -64.6 | -7.9 | -165.1 | -63.3 | -178.3 | 118.9 | 0 | 0 | 115.7 | S712 | E710-S712 VanDerWaalsContact C-N 3.29Å; E710-S712 PolarHBondContact O-N 3.35Å |
| 711 | R | 31.8 | Very low | 29.2 | Very low | 247 Ų | 247 | 138 Ų | 138 | 93% | 0.932 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -71.7 | -9.7 | -179.2 | -75.3 | -174.6 | 170.6 | -177.6 | -2.5 | 115.5 | P709 | P709-R711 PolarHBondContact O-N 3.16Š|
| 712 | S | 31.8 | Very low | 29.1 | Very low | 70 Ų | 70 | 137 Ų | 137 | 49% | 0.49 | 72% | 0.715 | S | S | . | * | G | 310 helix | trans | -109.4 | -7.9 | -175.9 | 63.3 | 0 | 0 | 0 | 0 | 115.7 | I708 E710 A714 | I708-S712 VanDerWaalsContact CG2-OG 3.29Å; I708-S712 WeakPolarHBondContact CG2-OG 3.37Å; E710-S712 VanDerWaalsContact C-N 3.29Å; E710-S712 PolarHBondContact O-N 3.35Å; S712-A714 PolarHBondContact O-N 3.22Å; S712-A714 VanDerWaalsContact O-N 3.12Å |
| 713 | R | 29.3 | Very low | 29 | Very low | 223 Ų | 223 | 140.2 Ų | 140.2 | 84% | 0.842 | 72% | 0.717 | S | S | * | * | trans | -77.2 | 97 | 172.1 | -91.7 | -175.6 | 170.9 | 157.7 | -1.7 | 110.5 | ||||
| 714 | A | 38.7 | Very low | 29 | Very low | 33 Ų | 33 | 143.2 Ų | 143.2 | 27% | 0.273 | 72% | 0.721 | S | S | . | * | trans | -62.9 | 141.7 | 155.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | S712 C716 | S712-A714 PolarHBondContact O-N 3.22Å; S712-A714 VanDerWaalsContact O-N 3.12Å; A714-C716 PolarHBondContact O-N 2.85Å | ||
| 715 | N | 35.3 | Very low | 29 | Very low | 154 Ų | 154 | 141.1 Ų | 141.1 | 82% | 0.824 | 72% | 0.724 | S | S | * | * | trans | -72.3 | 67 | 172.8 | -75.6 | -13.7 | 0 | 0 | 0 | 110.9 | I717 | N715-I717 PolarHBondContact O-N 3.32Š| ||
| 716 | C | 35.2 | Very low | 29.2 | Very low | 55 Ų | 55 | 135.6 Ų | 135.6 | 37% | 0.372 | 72% | 0.717 | S | S | . | * | trans | -61.9 | 105.2 | 157.1 | -65.5 | 0 | 0 | 0 | 0 | 106.5 | C52 A714 S718 | C52-C716 HydrophobicContact CB-CB 4.15Å; C52-C716 WeakPolarHBondContact CB-SG 3.19Å; C52-C716 WeakPolarHBondContact SG-CB 3.33Å; C52-C716 CovalentContact SG-SG 2.04Å; C52-C716 PolarHBondContact SG-SG 3.06Å; A714-C716 PolarHBondContact O-N 2.85Å; C716-S718 PolarHBondContact O-N 3.43Å | ||
| 717 | I | 36.2 | Very low | 29.3 | Very low | 142 Ų | 142 | 133.9 Ų | 133.9 | 73% | 0.728 | 72% | 0.716 | S | S | * | * | trans | -57.2 | 136.4 | -162.7 | -64.2 | 176 | 0 | 0 | 0 | 111.4 | N715 E719 | N715-I717 PolarHBondContact O-N 3.32Å; I717-E719 HydrophobicContact CG2-CG 4.1Å; I717-E719 PolarHBondContact O-N 2.99Å | ||
| 718 | S | 26.6 | Very low | 29.9 | Very low | 107 Ų | 107 | 129.6 Ų | 129.6 | 75% | 0.748 | 71% | 0.712 | S | S | * | * | trans | -74.7 | 68.7 | 172 | 57.1 | 0 | 0 | 0 | 0 | 111 | C716 N720 | C716-S718 PolarHBondContact O-N 3.43Å; S718-N720 PolarHBondContact O-N 3.26Å | ||
| 719 | E | 27.7 | Very low | 30.3 | Very low | 156 Ų | 156 | 130.4 Ų | 130.4 | 73% | 0.729 | 72% | 0.717 | S | S | * | * | trans | -70.7 | 82.2 | 161.3 | -71.1 | -162.2 | 158.8 | 0 | 0 | 108.9 | I717 V721 | I717-E719 HydrophobicContact CG2-CG 4.1Å; I717-E719 PolarHBondContact O-N 2.99Å; E719-V721 HydrophobicContact CB-CG2 4.11Å; E719-V721 PolarHBondContact O-N 3.37Å | ||
| 720 | N | 25.3 | Very low | 30.6 | Very low | 152 Ų | 152 | 133.6 Ų | 133.6 | 81% | 0.813 | 73% | 0.729 | S | S | * | * | trans | -61.6 | 81.3 | 146.5 | -78.1 | -14 | 0 | 0 | 0 | 106.7 | S718 S722 | S718-N720 PolarHBondContact O-N 3.26Å; N720-S722 PolarHBondContact O-N 2.85Å | ||
| 721 | V | 27.5 | Very low | 31 | Very low | 110 Ų | 110 | 130 Ų | 130 | 67% | 0.667 | 72% | 0.724 | S | S | * | * | trans | -65.7 | 94.3 | 162.5 | -178.2 | 0 | 0 | 0 | 0 | 105.8 | E719 Y723 | E719-V721 HydrophobicContact CB-CG2 4.11Å; E719-V721 PolarHBondContact O-N 3.37Å; V721-Y723 PolarHBondContact O-N 2.84Å | ||
| 722 | S | 25.5 | Very low | 31.1 | Very low | 96 Ų | 96 | 123.8 Ų | 123.8 | 67% | 0.671 | 72% | 0.718 | S | S | * | * | trans | -57.3 | 106 | 170.1 | 40.8 | 0 | 0 | 0 | 0 | 107.9 | N720 E724 | N720-S722 PolarHBondContact O-N 2.85Å; S722-E724 PolarHBondContact O-N 2.83Å | ||
| 723 | Y | 25.2 | Very low | 31.3 | Very low | 225 Ų | 225 | 133.4 Ų | 133.4 | 88% | 0.882 | 76% | 0.756 | S | S | * | * | trans | -60.3 | 105.9 | 160.7 | -118.3 | -92.5 | 0 | 0 | 0 | 106.4 | V721 G725 | V721-Y723 PolarHBondContact O-N 2.84Å; Y723-G725 PolarHBondContact O-N 2.84Å | ||
| 724 | E | 28.5 | Very low | 31.4 | Very low | 185 Ų | 185 | 129 Ų | 129 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | trans | -70.4 | 74.2 | 166.4 | -71.3 | -160.5 | 153.2 | 0 | 0 | 109 | S722 G726 | S722-E724 PolarHBondContact O-N 2.83Å; E724-G726 PolarHBondContact O-N 3.31Å; E724-G726 VanDerWaalsContact O-N 3.1Å | ||
| 725 | G | 28.3 | Very low | 31 | Very low | 63 Ų | 63 | 134 Ų | 134 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | trans | -64.7 | 102.3 | 155.3 | 0 | 0 | 0 | 0 | 0 | 107 | Y723 S727 | Y723-G725 PolarHBondContact O-N 2.84Å; G725-S727 PolarHBondContact O-N 3.26Å | ||
| 726 | G | 28.4 | Very low | 30.8 | Very low | 77 Ų | 77 | 132.9 Ų | 132.9 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | -60.6 | 97 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E724 S728 | E724-G726 PolarHBondContact O-N 3.31Å; E724-G726 VanDerWaalsContact O-N 3.1Å; G726-S728 PolarHBondContact O-N 3.15Å | ||
| 727 | S | 29.7 | Very low | 30.5 | Very low | 97 Ų | 97 | 137.5 Ų | 137.5 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | trans | -74.4 | 98.4 | 165.6 | -173.2 | 0 | 0 | 0 | 0 | 108.4 | G725 | G725-S727 PolarHBondContact O-N 3.26Š| ||
| 728 | S | 35.8 | Very low | 30.2 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | trans | -85.3 | 114.9 | 160.8 | 57.6 | 0 | 0 | 0 | 0 | 108.1 | G726 | G726-S728 PolarHBondContact O-N 3.15Š| ||
| 729 | D | 35.3 | Very low | 30.4 | Very low | 141 Ų | 141 | 139.2 Ų | 139.2 | 75% | 0.754 | 81% | 0.806 | S | S | * | * | trans | -66.1 | 159.5 | -166.9 | -65.2 | -57.9 | 0 | 0 | 0 | 115.4 | ||||
| 730 | N | 31.7 | Very low | 30.6 | Very low | 170 Ų | 170 | 138 Ų | 138 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | trans | -74.9 | 126.1 | 168.3 | -64.3 | -66.2 | 0 | 0 | 0 | 110.7 | ||||
| 731 | S | 37.8 | Very low | 31 | Very low | 112 Ų | 112 | 136.9 Ų | 136.9 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | trans | -154.5 | 117.3 | 148.3 | 61.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 732 | S | 33.5 | Very low | 31.3 | Very low | 115 Ų | 115 | 139.2 Ų | 139.2 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | -43.3 | 127.7 | 165.4 | 48 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 733 | E | 36.1 | Very low | 31.8 | Very low | 273 Ų | 273 | 143.1 Ų | 143.1 | 100% | 1.276 | 84% | 0.837 | S | S | * | * | -154 | 0 | 96.8 | -94.7 | -173.2 | 137.9 | 0 | 0 | 110.3 |
Retrieved 733 of 733 residues in 239.6 ms
(Link to these results)