| 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 | 65.5 | Low | 92.1 | Very high | 122 Ų | 122 | 57.3 Ų | 57.3 | 60% | 0.601 | 31% | 0.31 | S | S | * | . | 0 | 24.6 | 0 | -84.2 | -169.8 | -83.6 | 0 | 0 | 113.2 | G3 F4 L26 | M1-G3 PolarHBondContact O-N 3.38Å; M1-G3 VanDerWaalsContact O-N 3.12Å; M1-F4 HydrophobicContact CB-CD2 3.98Å; M1-F4 HydrophobicContact CB-CE2 4.46Å; M1-F4 HydrophobicContact CG-CD2 4.04Å; M1-F4 HydrophobicContact CG-CE2 4.05Å; M1-F4 PolarHBondContact O-N 3.18Å; M1-F4 HydrophobicContact SD-CD2 4.43Å; M1-F4 HydrophobicContact SD-CE2 4.4Å; M1-L26 HydrophobicContact CE-CB 4.03Å; M1-L26 HydrophobicContact CE-CD1 4.14Å; M1-L26 HydrophobicContact CE-CD2 4.06Å; M1-L26 HydrophobicContact CE-CG 4.29Å; M1-L26 HydrophobicContact SD-CB 4.17Å; M1-L26 HydrophobicContact SD-CD2 4Å | |||
| 2 | S | 74 | Confident | 92.7 | Very high | 106 Ų | 106 | 52.6 Ų | 52.6 | 74% | 0.741 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -62.9 | -23.5 | -177.1 | 52.2 | 0 | 0 | 0 | 0 | 114.6 | F4 Y5 | S2-F4 PolarHBondContact O-N 3Å; S2-Y5 PolarHBondContact O-N 3.2Å |
| 3 | G | 90.2 | Very high | 93.1 | Very high | 51 Ų | 51 | 51.4 Ų | 51.4 | 53% | 0.526 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -65 | -15.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | M1 | M1-G3 PolarHBondContact O-N 3.38Å; M1-G3 VanDerWaalsContact O-N 3.12Å |
| 4 | F | 96.3 | Very high | 93.5 | Very high | 5 Ų | 5 | 51.6 Ų | 51.6 | 2% | 0.022 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -87.9 | -23.5 | 178 | -68.1 | -75.9 | 0 | 0 | 0 | 113.9 | M1 S2 H6 K7 F15 E19 L23 A330 T331 | M1-F4 HydrophobicContact CB-CD2 3.98Å; M1-F4 HydrophobicContact CB-CE2 4.46Å; M1-F4 HydrophobicContact CG-CD2 4.04Å; M1-F4 HydrophobicContact CG-CE2 4.05Å; M1-F4 PolarHBondContact O-N 3.18Å; M1-F4 HydrophobicContact SD-CD2 4.43Å; M1-F4 HydrophobicContact SD-CE2 4.4Å; S2-F4 PolarHBondContact O-N 3Å; F4-H6 PolarHBondContact O-N 3.38Å; F4-K7 VanDerWaalsContact O-CB 3.24Å; F4-K7 WeakPolarHBondContact O-CB 3.28Å; F4-K7 PolarHBondContact O-N 3.12Å; F4-F15 HydrophobicContact CD1-CD1 4.25Å; F4-F15 AromaticContact CD1-CE1 3.78Å; F4-F15 HydrophobicContact CD1-CE1 3.78Å; F4-F15 AromaticContact CE1-CD1 3.59Å; F4-F15 HydrophobicContact CE1-CD1 3.59Å; F4-F15 AromaticContact CE1-CE1 3.56Å; F4-F15 HydrophobicContact CE1-CE1 3.56Å; F4-E19 HydrophobicContact CE1-CB 3.99Å; F4-E19 HydrophobicContact CE1-CG 4.27Å; F4-E19 HydrophobicContact CE2-CB 4.37Å; F4-E19 HydrophobicContact CE2-CG 4.29Å; F4-E19 HydrophobicContact CZ-CB 3.48Å; F4-E19 VanDerWaalsContact CZ-CB 3.48Å; F4-E19 HydrophobicContact CZ-CG 3.76Å; F4-E19 VanDerWaalsContact CZ-O 3.32Å; F4-E19 WeakPolarHBondContact CZ-O 3.32Å; F4-L23 HydrophobicContact CD1-CD1 4.33Å; F4-L23 HydrophobicContact CD1-CD2 4.16Å; F4-L23 HydrophobicContact CD1-CG 4.28Å; F4-L23 HydrophobicContact CE1-CD1 3.54Å; F4-L23 HydrophobicContact CE1-CD2 3.91Å; F4-L23 HydrophobicContact CE1-CG 3.53Å; F4-L23 HydrophobicContact CE2-CG 4.4Å; F4-L23 HydrophobicContact CZ-CD1 4.05Å; F4-L23 HydrophobicContact CZ-CD2 4.16Å; F4-L23 HydrophobicContact CZ-CG 3.61Å; F4-A330 CarbonylContact C-O 3.58Å; F4-A330 HydrophobicContact CB-CB 3.78Å; F4-A330 WeakPolarHBondContact CB-O 3.25Å; F4-A330 HydrophobicContact CD1-CB 4.46Å; F4-A330 HydrophobicContact CD2-CB 4.35Å; F4-A330 HydrophobicContact CG-CB 3.96Å; F4-T331 WeakPolarHBondContact O-CA 3.24Å |
| 5 | Y | 97.4 | Very high | 93.8 | Very high | 79 Ų | 79 | 48.9 Ų | 48.9 | 31% | 0.31 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 123.4 | -171.1 | -175.9 | -109.4 | 0 | 0 | 0 | 110.3 | S2 K7 S333 K334 | S2-Y5 PolarHBondContact O-N 3.2Å; Y5-K7 PolarHBondContact O-N 3.03Å; Y5-S333 WeakPolarHBondContact CD2-O 3.32Å; Y5-K334 HydrophobicContact CD1-CG 4.36Å; Y5-K334 HydrophobicContact CD2-CG 3.91Å; Y5-K334 HydrophobicContact CE1-CD 4.43Å; Y5-K334 HydrophobicContact CE1-CG 4.03Å; Y5-K334 HydrophobicContact CE2-CG 3.55Å; Y5-K334 HydrophobicContact CG-CG 4.3Å; Y5-K334 VanDerWaalsContact CZ-CE 3.4Å; Y5-K334 VanDerWaalsContact OH-CE 3.31Å; Y5-K334 WeakPolarHBondContact OH-CE 3.31Å |
| 6 | H | 96.8 | Very high | 94.1 | Very high | 99 Ų | 99 | 50.1 Ų | 50.1 | 46% | 0.458 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | 9.5 | -173.7 | -72.5 | -147.7 | 0 | 0 | 0 | 116.4 | F4 T331 | F4-H6 PolarHBondContact O-N 3.38Å; H6-T331 PolarHBondContact N-O 3.05Å |
| 7 | K | 98.1 | Very high | 94.3 | Very high | 53 Ų | 53 | 49.6 Ų | 49.6 | 23% | 0.23 | 27% | 0.273 | C | S | . | . | trans | -78.8 | 140.6 | 175.1 | -161.1 | 175.8 | 178.4 | -167.6 | 0 | 110.6 | F4 Y5 D14 F15 E19 T331 | F4-K7 VanDerWaalsContact O-CB 3.24Å; F4-K7 WeakPolarHBondContact O-CB 3.28Å; F4-K7 PolarHBondContact O-N 3.12Å; Y5-K7 PolarHBondContact O-N 3.03Å; K7-D14 WeakPolarHBondContact CE-O 3.28Å; K7-D14 PolarHBondContact NZ-O 3.08Å; K7-F15 HydrophobicContact CD-CD1 4.4Å; K7-F15 HydrophobicContact CD-CE1 3.75Å; K7-F15 HydrophobicContact CD-CZ 4.29Å; K7-F15 HydrophobicContact CG-CE1 4.49Å; K7-E19 IonicContact NZ-OE1 3.55Å; K7-E19 PolarHBondContact NZ-OE1 2.97Å; K7-E19 IonicContact NZ-OE2 2.91Å; K7-E19 PolarHBondContact NZ-OE2 3.21Å; K7-T331 WeakPolarHBondContact O-CG2 3.42Å | ||
| 8 | H | 98.7 | Very high | 94.5 | Very high | 56 Ų | 56 | 50.7 Ų | 50.7 | 26% | 0.259 | 29% | 0.289 | S | S | . | . | trans | -74 | 158.2 | 169.8 | -53.2 | -77.6 | 0 | 0 | 0 | 110.6 | L10 F15 A118 V123 V125 | H8-L10 HydrophobicContact CB-CD1 4.12Å; H8-L10 HydrophobicContact CB-CD2 3.87Å; H8-L10 HydrophobicContact CB-CG 3.73Å; H8-F15 WeakPolarHBondContact O-CZ 3.38Å; H8-A118 HydrophobicContact CB-CB 4.48Å; H8-A118 PolarHBondContact CE1-O 3.12Å; H8-A118 PolarHBondContact NE2-O 3.33Å; H8-V123 PolarHBondContact CE1-O 3.13Å; H8-V125 CarbonylContact C-O 3.58Å; H8-V125 WeakPolarHBondContact CA-O 3.26Å; H8-V125 WeakPolarHBondContact CB-O 3.45Å; H8-V125 WeakPolarHBondContact ND1-CB 3.4Å; H8-V125 PolarHBondContact ND1-N 2.92Å | ||
| 9 | F | 98.8 | Very high | 94.7 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.009 | 28% | 0.283 | C | S | . | . | B | Isolated β-bridge | trans | -124 | 80.6 | 174.1 | -171.5 | -94.5 | 0 | 0 | 0 | 108.8 | L12 F15 L23 V125 W126 N127 P135 T136 L139 V327 | F9-L12 HydrophobicContact CE2-CD2 4.38Å; F9-L12 HydrophobicContact CZ-CD2 3.82Å; F9-F15 HydrophobicContact CB-CZ 4.3Å; F9-F15 HydrophobicContact CD2-CD2 4.23Å; F9-F15 HydrophobicContact CD2-CE1 4.27Å; F9-F15 AromaticContact CD2-CE2 3.33Å; F9-F15 HydrophobicContact CD2-CE2 3.33Å; F9-F15 AromaticContact CD2-CZ 3.36Å; F9-F15 HydrophobicContact CD2-CZ 3.36Å; F9-F15 HydrophobicContact CE2-CD2 4.17Å; F9-F15 AromaticContact CE2-CE2 3.7Å; F9-F15 HydrophobicContact CE2-CE2 3.7Å; F9-F15 HydrophobicContact CE2-CZ 4.06Å; F9-F15 HydrophobicContact CG-CE2 4.18Å; F9-F15 HydrophobicContact CG-CZ 4.24Å; F9-L23 HydrophobicContact CD2-CD1 4.39Å; F9-L23 HydrophobicContact CE2-CD1 4Å; F9-V125 PolarHBondContact N-O 3.48Å; F9-W126 HydrophobicContact CB-CB 4.44Å; F9-W126 HydrophobicContact CB-CG 4.49Å; F9-W126 WeakPolarHBondContact O-CA 3.4Å; F9-N127 PolarHBondContact O-N 2.96Å; F9-P135 HydrophobicContact CD1-CB 4.32Å; F9-P135 HydrophobicContact CD1-CG 4.12Å; F9-P135 HydrophobicContact CE1-CB 3.52Å; F9-P135 HydrophobicContact CE1-CG 3.75Å; F9-P135 HydrophobicContact CZ-CB 3.92Å; F9-T136 HydrophobicContact CD1-CG2 4.2Å; F9-T136 HydrophobicContact CE1-CG2 4.01Å; F9-L139 HydrophobicContact CE1-CD1 4.04Å; F9-L139 HydrophobicContact CE2-CD1 3.92Å; F9-L139 HydrophobicContact CE2-CG 4.49Å; F9-L139 HydrophobicContact CZ-CD1 3.42Å; F9-L139 VanDerWaalsContact CZ-CD1 3.42Å; F9-L139 HydrophobicContact CZ-CD2 4.27Å; F9-L139 HydrophobicContact CZ-CG 3.77Å; F9-V327 HydrophobicContact CB-CG1 3.81Å; F9-V327 HydrophobicContact CD1-CG1 4.3Å; F9-V327 HydrophobicContact CD1-CG2 4.37Å; F9-V327 HydrophobicContact CD2-CG1 4.33Å; F9-V327 HydrophobicContact CD2-CG2 4.18Å; F9-V327 HydrophobicContact CE1-CG2 4.4Å; F9-V327 HydrophobicContact CE2-CG2 4.27Å; F9-V327 HydrophobicContact CG-CG1 3.9Å; F9-V327 HydrophobicContact CG-CG2 4.28Å; F9-V327 HydrophobicContact CZ-CG2 4.39Å |
| 10 | L | 98.8 | Very high | 94.9 | Very high | 7 Ų | 7 | 47.5 Ų | 47.5 | 4% | 0.037 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -99.8 | -39.3 | -168.5 | -52.9 | -175.3 | 0 | 0 | 0 | 112.6 | H8 Q111 V114 E115 A118 V125 N127 | H8-L10 HydrophobicContact CB-CD1 4.12Å; H8-L10 HydrophobicContact CB-CD2 3.87Å; H8-L10 HydrophobicContact CB-CG 3.73Å; L10-Q111 PolarHBondContact O-NE2 2.6Å; L10-V114 HydrophobicContact CD2-CG1 4.48Å; L10-V114 HydrophobicContact CD2-CG2 3.93Å; L10-E115 WeakPolarHBondContact CD1-OE2 3.5Å; L10-A118 HydrophobicContact CD1-CB 3.71Å; L10-A118 HydrophobicContact CD2-CB 4.15Å; L10-V125 HydrophobicContact CD2-CB 4.29Å; L10-V125 HydrophobicContact CD2-CG1 4.14Å; L10-N127 WeakPolarHBondContact O-CB 3.41Å; L10-N127 PolarHBondContact O-ND2 2.92Å |
| 11 | K | 98.7 | Very high | 95 | Very high | 50 Ų | 50 | 48 Ų | 48 | 22% | 0.217 | 27% | 0.271 | C | S | . | . | trans | -153.8 | 165.3 | 172.3 | 59.9 | -174.5 | 179.1 | 61.2 | 0 | 109.9 | D14 F133 | K11-D14 WeakPolarHBondContact CE-OD1 3.44Å; K11-D14 WeakPolarHBondContact CG-OD1 3.35Å; K11-D14 WeakPolarHBondContact CG-OD2 3.46Å; K11-D14 PolarHBondContact N-OD2 3.25Å; K11-D14 IonicContact NZ-OD1 2.89Å; K11-D14 PolarHBondContact NZ-OD1 3.49Å; K11-F133 HydrophobicContact CB-CB 4.43Å; K11-F133 HydrophobicContact CB-CD1 4.41Å; K11-F133 HydrophobicContact CB-CD2 4.06Å; K11-F133 HydrophobicContact CB-CE2 4.44Å; K11-F133 HydrophobicContact CB-CG 4.05Å; K11-F133 HydrophobicContact CD-CD2 4.29Å; K11-F133 HydrophobicContact CD-CE2 3.91Å; K11-F133 HydrophobicContact CD-CZ 4.22Å | ||
| 12 | L | 98.7 | Very high | 96.5 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -70.9 | -37.6 | -172.7 | -69.2 | 179.9 | 0 | 0 | 0 | 112.1 | F9 D14 F15 L20 P135 L138 L139 E175 A176 L179 | F9-L12 HydrophobicContact CE2-CD2 4.38Å; F9-L12 HydrophobicContact CZ-CD2 3.82Å; L12-D14 PolarHBondContact O-N 3.48Å; L12-F15 WeakPolarHBondContact O-CB 3.4Å; L12-F15 WeakPolarHBondContact O-CD2 3.16Å; L12-F15 PolarHBondContact O-N 2.7Å; L12-L20 HydrophobicContact CD2-CD1 4.49Å; L12-P135 HydrophobicContact CD2-CB 3.99Å; L12-P135 HydrophobicContact CG-CB 3.97Å; L12-L138 HydrophobicContact CD1-CB 3.78Å; L12-L138 HydrophobicContact CD1-CG 4.29Å; L12-L139 HydrophobicContact CD2-CD2 4.26Å; L12-E175 HydrophobicContact CB-CB 3.78Å; L12-E175 WeakPolarHBondContact CB-OE2 3.43Å; L12-E175 HydrophobicContact CD1-CB 4.24Å; L12-E175 PolarHBondContact N-OE2 3.18Å; L12-A176 HydrophobicContact CD1-CB 4.14Å; L12-L179 HydrophobicContact CB-CD1 3.88Å; L12-L179 VanDerWaalsContact O-CD1 3.25Å; L12-L179 WeakPolarHBondContact O-CD1 3.4Å |
| 13 | L | 98.5 | Very high | 97.7 | Very high | 37 Ų | 37 | 39.1 Ų | 39.1 | 19% | 0.194 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -63.8 | -5.4 | -178.8 | -72.9 | 174.7 | 0 | 0 | 0 | 114.5 | F15 E175 A178 L179 L198 L205 | L13-F15 PolarHBondContact O-N 2.96Å; L13-E175 WeakPolarHBondContact CB-OE1 3.32Å; L13-E175 HydrophobicContact CD1-CG 3.91Å; L13-E175 HydrophobicContact CG-CB 3.99Å; L13-E175 HydrophobicContact CG-CG 3.77Å; L13-E175 VanDerWaalsContact CG-OE1 3.29Å; L13-E175 WeakPolarHBondContact CG-OE1 3.25Å; L13-E175 PolarHBondContact N-OE1 3.27Å; L13-E175 VanDerWaalsContact N-OE1 3.15Å; L13-A178 HydrophobicContact CD2-CB 3.9Å; L13-L179 HydrophobicContact CD2-CD2 4.25Å; L13-L179 HydrophobicContact CD2-CG 4.37Å; L13-L198 HydrophobicContact CD1-CD1 4.47Å; L13-L205 HydrophobicContact CD2-CD1 3.87Å |
| 14 | D | 98.3 | Very high | 98.1 | Very high | 54 Ų | 54 | 36.8 Ų | 36.8 | 29% | 0.289 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -76.6 | -1.3 | 170.9 | -56.5 | -19.3 | 0 | 0 | 0 | 112.6 | K7 K11 L12 | K7-D14 WeakPolarHBondContact CE-O 3.28Å; K7-D14 PolarHBondContact NZ-O 3.08Å; K11-D14 WeakPolarHBondContact CE-OD1 3.44Å; K11-D14 WeakPolarHBondContact CG-OD1 3.35Å; K11-D14 WeakPolarHBondContact CG-OD2 3.46Å; K11-D14 PolarHBondContact N-OD2 3.25Å; K11-D14 IonicContact NZ-OD1 2.89Å; K11-D14 PolarHBondContact NZ-OD1 3.49Å; L12-D14 PolarHBondContact O-N 3.48Å |
| 15 | F | 98.4 | Very high | 98.2 | Very high | 11 Ų | 11 | 43.2 Ų | 43.2 | 5% | 0.048 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -124.2 | 151.1 | -177.3 | -59.8 | -90.1 | 0 | 0 | 0 | 111.5 | F4 K7 H8 F9 L12 L13 E19 L179 | F4-F15 HydrophobicContact CD1-CD1 4.25Å; F4-F15 AromaticContact CD1-CE1 3.78Å; F4-F15 HydrophobicContact CD1-CE1 3.78Å; F4-F15 AromaticContact CE1-CD1 3.59Å; F4-F15 HydrophobicContact CE1-CD1 3.59Å; F4-F15 AromaticContact CE1-CE1 3.56Å; F4-F15 HydrophobicContact CE1-CE1 3.56Å; K7-F15 HydrophobicContact CD-CD1 4.4Å; K7-F15 HydrophobicContact CD-CE1 3.75Å; K7-F15 HydrophobicContact CD-CZ 4.29Å; K7-F15 HydrophobicContact CG-CE1 4.49Å; H8-F15 WeakPolarHBondContact O-CZ 3.38Å; F9-F15 HydrophobicContact CB-CZ 4.3Å; F9-F15 HydrophobicContact CD2-CD2 4.23Å; F9-F15 HydrophobicContact CD2-CE1 4.27Å; F9-F15 AromaticContact CD2-CE2 3.33Å; F9-F15 HydrophobicContact CD2-CE2 3.33Å; F9-F15 AromaticContact CD2-CZ 3.36Å; F9-F15 HydrophobicContact CD2-CZ 3.36Å; F9-F15 HydrophobicContact CE2-CD2 4.17Å; F9-F15 AromaticContact CE2-CE2 3.7Å; F9-F15 HydrophobicContact CE2-CE2 3.7Å; F9-F15 HydrophobicContact CE2-CZ 4.06Å; F9-F15 HydrophobicContact CG-CE2 4.18Å; F9-F15 HydrophobicContact CG-CZ 4.24Å; L12-F15 WeakPolarHBondContact O-CB 3.4Å; L12-F15 WeakPolarHBondContact O-CD2 3.16Å; L12-F15 PolarHBondContact O-N 2.7Å; L13-F15 PolarHBondContact O-N 2.96Å; F15-E19 WeakPolarHBondContact CA-OE2 3.47Å; F15-E19 HydrophobicContact CB-CB 4.1Å; F15-E19 HydrophobicContact CD1-CB 4.13Å; F15-L179 VanDerWaalsContact O-CD2 3.23Å; F15-L179 WeakPolarHBondContact O-CD2 3.35Å |
| 16 | T | 97.9 | Very high | 98.2 | Very high | 69 Ų | 69 | 40.4 Ų | 40.4 | 42% | 0.423 | 22% | 0.217 | S | C | . | . | trans | -80.2 | 160 | 170.2 | 60.6 | 0 | 0 | 0 | 0 | 111.5 | A18 E19 L20 | T16-A18 PolarHBondContact O-N 3.12Å; T16-E19 PolarHBondContact N-OE2 2.98Å; T16-E19 WeakPolarHBondContact O-CB 3.24Å; T16-E19 PolarHBondContact O-N 2.76Å; T16-E19 VanDerWaalsContact O-N 3.08Å; T16-E19 WeakPolarHBondContact OG1-CB 3.43Å; T16-E19 WeakPolarHBondContact OG1-CG 3.46Å; T16-E19 PolarHBondContact OG1-N 3.43Å; T16-E19 PolarHBondContact OG1-OE2 3.19Å; T16-E19 VanDerWaalsContact OG1-OE2 3.04Å; T16-L20 PolarHBondContact O-N 3.4Å | ||
| 17 | P | 98.1 | Very high | 98.3 | Very high | 42 Ų | 42 | 35.8 Ų | 35.8 | 27% | 0.273 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -52.2 | -36.4 | 170.5 | -30.4 | 37.1 | 0 | 0 | 0 | 113.8 | N21 L179 | P17-N21 PolarHBondContact O-N 3.34Å; P17-N21 VanDerWaalsContact O-N 3.08Å; P17-N21 PolarHBondContact O-ND2 3.41Å; P17-L179 VanDerWaalsContact CB-O 3.26Å; P17-L179 WeakPolarHBondContact CB-O 3.3Å; P17-L179 HydrophobicContact CG-CD2 4.38Å; P17-L179 WeakPolarHBondContact CG-O 3.47Å |
| 18 | A | 97.6 | Very high | 98.4 | Very high | 68 Ų | 68 | 35.2 Ų | 35.2 | 56% | 0.562 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -70.1 | -39.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | T16 S22 | T16-A18 PolarHBondContact O-N 3.12Å; A18-S22 WeakPolarHBondContact O-CB 3.4Å; A18-S22 PolarHBondContact O-N 3.33Å; A18-S22 PolarHBondContact O-OG 2.91Å |
| 19 | E | 98.1 | Very high | 98.4 | Very high | 36 Ų | 36 | 38 Ų | 38 | 17% | 0.168 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.1 | -48.4 | 172.7 | -79 | 171.9 | 125.1 | 0 | 0 | 110.8 | F4 K7 F15 T16 N21 S22 L23 | F4-E19 HydrophobicContact CE1-CB 3.99Å; F4-E19 HydrophobicContact CE1-CG 4.27Å; F4-E19 HydrophobicContact CE2-CB 4.37Å; F4-E19 HydrophobicContact CE2-CG 4.29Å; F4-E19 HydrophobicContact CZ-CB 3.48Å; F4-E19 VanDerWaalsContact CZ-CB 3.48Å; F4-E19 HydrophobicContact CZ-CG 3.76Å; F4-E19 VanDerWaalsContact CZ-O 3.32Å; F4-E19 WeakPolarHBondContact CZ-O 3.32Å; K7-E19 IonicContact NZ-OE1 3.55Å; K7-E19 PolarHBondContact NZ-OE1 2.97Å; K7-E19 IonicContact NZ-OE2 2.91Å; K7-E19 PolarHBondContact NZ-OE2 3.21Å; F15-E19 WeakPolarHBondContact CA-OE2 3.47Å; F15-E19 HydrophobicContact CB-CB 4.1Å; F15-E19 HydrophobicContact CD1-CB 4.13Å; T16-E19 PolarHBondContact N-OE2 2.98Å; T16-E19 WeakPolarHBondContact O-CB 3.24Å; T16-E19 PolarHBondContact O-N 2.76Å; T16-E19 VanDerWaalsContact O-N 3.08Å; T16-E19 WeakPolarHBondContact OG1-CB 3.43Å; T16-E19 WeakPolarHBondContact OG1-CG 3.46Å; T16-E19 PolarHBondContact OG1-N 3.43Å; T16-E19 PolarHBondContact OG1-OE2 3.19Å; T16-E19 VanDerWaalsContact OG1-OE2 3.04Å; E19-N21 VanDerWaalsContact C-N 3.34Å; E19-N21 PolarHBondContact O-N 2.7Å; E19-S22 WeakPolarHBondContact O-CA 3.32Å; E19-S22 WeakPolarHBondContact O-CB 3.29Å; E19-S22 PolarHBondContact O-N 3.01Å; E19-L23 PolarHBondContact O-N 3.43Å |
| 20 | L | 98.3 | Very high | 98.4 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -54.8 | -49 | 177.8 | 177.8 | 59.7 | 0 | 0 | 0 | 111.7 | L12 T16 S22 L23 L24 L139 L142 L179 T180 | L12-L20 HydrophobicContact CD2-CD1 4.49Å; T16-L20 PolarHBondContact O-N 3.4Å; L20-S22 VanDerWaalsContact C-N 3.31Å; L20-S22 PolarHBondContact O-N 2.97Å; L20-L23 PolarHBondContact O-N 2.99Å; L20-L24 HydrophobicContact CG-CD1 4.38Å; L20-L24 WeakPolarHBondContact O-CG 3.32Å; L20-L24 PolarHBondContact O-N 2.75Å; L20-L139 HydrophobicContact CD1-CD2 3.35Å; L20-L142 HydrophobicContact CD1-CD1 4.17Å; L20-L142 HydrophobicContact CD2-CD1 4.01Å; L20-L142 HydrophobicContact CG-CD1 4.48Å; L20-L179 HydrophobicContact CD2-CB 3.73Å; L20-L179 HydrophobicContact CD2-CD1 4.13Å; L20-T180 HydrophobicContact CD2-CG2 3.52Å |
| 21 | N | 97.7 | Very high | 98.4 | Very high | 58 Ų | 58 | 38.9 Ų | 38.9 | 31% | 0.31 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.9 | -37 | 176.4 | -78.4 | -57.1 | 0 | 0 | 0 | 112.8 | P17 E19 L24 Q25 | P17-N21 PolarHBondContact O-N 3.34Å; P17-N21 VanDerWaalsContact O-N 3.08Å; P17-N21 PolarHBondContact O-ND2 3.41Å; E19-N21 VanDerWaalsContact C-N 3.34Å; E19-N21 PolarHBondContact O-N 2.7Å; N21-L24 PolarHBondContact O-N 3.26Å; N21-Q25 WeakPolarHBondContact O-CB 3.25Å; N21-Q25 VanDerWaalsContact O-CG 3.3Å; N21-Q25 WeakPolarHBondContact O-CG 3.45Å; N21-Q25 PolarHBondContact O-N 3.11Å |
| 22 | S | 97.8 | Very high | 98.4 | Very high | 38 Ų | 38 | 39.1 Ų | 39.1 | 27% | 0.266 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.9 | -39.8 | 175.7 | -60.2 | 0 | 0 | 0 | 0 | 112.1 | A18 E19 L20 L26 | A18-S22 WeakPolarHBondContact O-CB 3.4Å; A18-S22 PolarHBondContact O-N 3.33Å; A18-S22 PolarHBondContact O-OG 2.91Å; E19-S22 WeakPolarHBondContact O-CA 3.32Å; E19-S22 WeakPolarHBondContact O-CB 3.29Å; E19-S22 PolarHBondContact O-N 3.01Å; L20-S22 VanDerWaalsContact C-N 3.31Å; L20-S22 PolarHBondContact O-N 2.97Å; S22-L26 WeakPolarHBondContact O-CB 3.28Å; S22-L26 PolarHBondContact O-N 3.23Å |
| 23 | L | 98.4 | Very high | 98.4 | Very high | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.4 | -42.9 | 174.9 | -78 | 173.3 | 0 | 0 | 0 | 112 | F4 F9 E19 L20 L26 A27 A330 | F4-L23 HydrophobicContact CD1-CD1 4.33Å; F4-L23 HydrophobicContact CD1-CD2 4.16Å; F4-L23 HydrophobicContact CD1-CG 4.28Å; F4-L23 HydrophobicContact CE1-CD1 3.54Å; F4-L23 HydrophobicContact CE1-CD2 3.91Å; F4-L23 HydrophobicContact CE1-CG 3.53Å; F4-L23 HydrophobicContact CE2-CG 4.4Å; F4-L23 HydrophobicContact CZ-CD1 4.05Å; F4-L23 HydrophobicContact CZ-CD2 4.16Å; F4-L23 HydrophobicContact CZ-CG 3.61Å; F9-L23 HydrophobicContact CD2-CD1 4.39Å; F9-L23 HydrophobicContact CE2-CD1 4Å; E19-L23 PolarHBondContact O-N 3.43Å; L20-L23 PolarHBondContact O-N 2.99Å; L23-L26 PolarHBondContact O-N 3.31Å; L23-A27 WeakPolarHBondContact O-CB 3.45Å; L23-A27 PolarHBondContact O-N 2.9Å; L23-A330 HydrophobicContact CD2-CB 3.72Å |
| 24 | L | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.9 | -41.9 | 177.7 | -67.2 | 174.2 | 0 | 0 | 0 | 111.8 | L20 N21 L26 A27 A28 L139 L142 L143 F154 | L20-L24 HydrophobicContact CG-CD1 4.38Å; L20-L24 WeakPolarHBondContact O-CG 3.32Å; L20-L24 PolarHBondContact O-N 2.75Å; N21-L24 PolarHBondContact O-N 3.26Å; L24-L26 PolarHBondContact O-N 2.86Å; L24-A27 WeakPolarHBondContact O-CB 3.45Å; L24-A27 PolarHBondContact O-N 3.42Å; L24-A28 PolarHBondContact O-N 2.89Å; L24-L139 HydrophobicContact CD2-CD2 4.33Å; L24-L139 WeakPolarHBondContact CD2-O 3.46Å; L24-L142 HydrophobicContact CD1-CB 4.08Å; L24-L142 HydrophobicContact CD2-CB 4.04Å; L24-L143 HydrophobicContact CD2-CB 4.15Å; L24-F154 HydrophobicContact CD1-CE2 3.72Å; L24-F154 HydrophobicContact CD1-CZ 3.67Å |
| 25 | Q | 98.3 | Very high | 98.4 | Very high | 141 Ų | 141 | 46 Ų | 46 | 66% | 0.659 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -62.4 | -41.7 | 174 | -73.5 | 175.5 | 0.3 | 0 | 0 | 112.2 | N21 A28 K29 | N21-Q25 WeakPolarHBondContact O-CB 3.25Å; N21-Q25 VanDerWaalsContact O-CG 3.3Å; N21-Q25 WeakPolarHBondContact O-CG 3.45Å; N21-Q25 PolarHBondContact O-N 3.11Å; Q25-A28 PolarHBondContact O-N 2.68Å; Q25-K29 WeakPolarHBondContact O-CB 3.47Å; Q25-K29 PolarHBondContact O-N 3.28Å |
| 26 | L | 98.4 | Very high | 98.4 | Very high | 20 Ų | 20 | 48.6 Ų | 48.6 | 11% | 0.105 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63 | -42.8 | 174.8 | 178.2 | 58.9 | 0 | 0 | 0 | 111.3 | M1 S22 L23 L24 K29 L30 A326 V329 A330 | M1-L26 HydrophobicContact CE-CB 4.03Å; M1-L26 HydrophobicContact CE-CD1 4.14Å; M1-L26 HydrophobicContact CE-CD2 4.06Å; M1-L26 HydrophobicContact CE-CG 4.29Å; M1-L26 HydrophobicContact SD-CB 4.17Å; M1-L26 HydrophobicContact SD-CD2 4Å; S22-L26 WeakPolarHBondContact O-CB 3.28Å; S22-L26 PolarHBondContact O-N 3.23Å; L23-L26 PolarHBondContact O-N 3.31Å; L24-L26 PolarHBondContact O-N 2.86Å; L26-K29 PolarHBondContact O-N 2.81Å; L26-L30 HydrophobicContact CD1-CD1 3.95Å; L26-L30 HydrophobicContact CD1-CG 4.05Å; L26-L30 HydrophobicContact CG-CD1 3.85Å; L26-L30 HydrophobicContact CG-CG 4.4Å; L26-L30 WeakPolarHBondContact O-CB 3.42Å; L26-L30 VanDerWaalsContact O-CG 3.3Å; L26-L30 WeakPolarHBondContact O-CG 3.28Å; L26-L30 PolarHBondContact O-N 3.24Å; L26-A326 HydrophobicContact CB-CB 4.22Å; L26-A326 HydrophobicContact CD2-CB 4.11Å; L26-A326 WeakPolarHBondContact CD2-O 2.95Å; L26-A326 HydrophobicContact CG-CB 3.93Å; L26-V329 HydrophobicContact CD2-CB 4.43Å; L26-V329 HydrophobicContact CD2-CG1 4.3Å; L26-A330 HydrophobicContact CD2-CB 3.95Å |
| 27 | A | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.008 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.7 | -47.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | L23 L24 K29 L30 K31 L143 T323 A326 | L23-A27 WeakPolarHBondContact O-CB 3.45Å; L23-A27 PolarHBondContact O-N 2.9Å; L24-A27 WeakPolarHBondContact O-CB 3.45Å; L24-A27 PolarHBondContact O-N 3.42Å; A27-K29 VanDerWaalsContact C-N 3.33Å; A27-K29 PolarHBondContact O-N 2.98Å; A27-L30 PolarHBondContact O-N 3.25Å; A27-K31 WeakPolarHBondContact O-CB 3.29Å; A27-K31 PolarHBondContact O-N 3.09Å; A27-L143 HydrophobicContact CB-CD2 4.01Å; A27-T323 HydrophobicContact CB-CG2 3.73Å; A27-A326 HydrophobicContact CB-CB 3.72Å |
| 28 | A | 98.8 | Very high | 98.4 | Very high | 41 Ų | 41 | 54.4 Ų | 54.4 | 34% | 0.339 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.9 | -42.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L24 Q25 K31 A32 L143 | L24-A28 PolarHBondContact O-N 2.89Å; Q25-A28 PolarHBondContact O-N 2.68Å; A28-K31 PolarHBondContact O-N 2.89Å; A28-A32 WeakPolarHBondContact O-CB 3.3Å; A28-A32 PolarHBondContact O-N 3.17Å; A28-L143 HydrophobicContact CB-CD1 4.02Å |
| 29 | K | 98.7 | Very high | 98.5 | Very high | 114 Ų | 114 | 53.3 Ų | 53.3 | 50% | 0.496 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.4 | -49.8 | 175.4 | -169.2 | -158.9 | -178.4 | -49.5 | 0 | 111.5 | Q25 L26 A27 K31 A32 D33 | Q25-K29 WeakPolarHBondContact O-CB 3.47Å; Q25-K29 PolarHBondContact O-N 3.28Å; L26-K29 PolarHBondContact O-N 2.81Å; A27-K29 VanDerWaalsContact C-N 3.33Å; A27-K29 PolarHBondContact O-N 2.98Å; K29-K31 VanDerWaalsContact C-N 3.3Å; K29-K31 PolarHBondContact O-N 2.99Å; K29-A32 PolarHBondContact O-N 3.15Å; K29-A32 VanDerWaalsContact O-N 3.17Å; K29-D33 IonicContact NZ-OD1 3.93Å; K29-D33 PolarHBondContact NZ-OD1 3.39Å; K29-D33 IonicContact NZ-OD2 3.82Å; K29-D33 PolarHBondContact NZ-OD2 3.18Å; K29-D33 VanDerWaalsContact O-CG 3.23Å; K29-D33 PolarHBondContact O-N 2.87Å |
| 30 | L | 98.8 | Very high | 98.5 | Very high | 8 Ų | 8 | 57.4 Ų | 57.4 | 4% | 0.042 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.8 | -37.6 | -179.5 | -71.5 | 166.8 | 0 | 0 | 0 | 111.9 | L26 A27 K34 K325 A326 V329 | L26-L30 HydrophobicContact CD1-CD1 3.95Å; L26-L30 HydrophobicContact CD1-CG 4.05Å; L26-L30 HydrophobicContact CG-CD1 3.85Å; L26-L30 HydrophobicContact CG-CG 4.4Å; L26-L30 WeakPolarHBondContact O-CB 3.42Å; L26-L30 VanDerWaalsContact O-CG 3.3Å; L26-L30 WeakPolarHBondContact O-CG 3.28Å; L26-L30 PolarHBondContact O-N 3.24Å; A27-L30 PolarHBondContact O-N 3.25Å; L30-K34 WeakPolarHBondContact O-CB 3.49Å; L30-K34 PolarHBondContact O-N 2.98Å; L30-K325 HydrophobicContact CB-CD 4.12Å; L30-K325 HydrophobicContact CD1-CB 4.27Å; L30-K325 HydrophobicContact CD1-CD 4.15Å; L30-K325 HydrophobicContact CD1-CG 3.98Å; L30-K325 HydrophobicContact CD2-CD 4.22Å; L30-K325 HydrophobicContact CG-CD 4.4Å; L30-A326 HydrophobicContact CD1-CB 4.06Å; L30-V329 HydrophobicContact CD1-CB 4.48Å; L30-V329 HydrophobicContact CD1-CG2 4.29Å |
| 31 | K | 98.9 | Very high | 98.5 | Very high | 20 Ų | 20 | 59.3 Ų | 59.3 | 9% | 0.087 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.2 | -49.4 | 171.5 | 179.6 | 171.2 | -177.3 | 179.4 | 0 | 111.5 | A27 A28 K29 K34 K35 E147 N319 H322 | A27-K31 WeakPolarHBondContact O-CB 3.29Å; A27-K31 PolarHBondContact O-N 3.09Å; A28-K31 PolarHBondContact O-N 2.89Å; K29-K31 VanDerWaalsContact C-N 3.3Å; K29-K31 PolarHBondContact O-N 2.99Å; K31-K34 PolarHBondContact O-N 3.33Å; K31-K35 WeakPolarHBondContact O-CG 3.48Å; K31-K35 PolarHBondContact O-N 3.03Å; K31-E147 WeakPolarHBondContact CD-OE1 3.38Å; K31-E147 WeakPolarHBondContact CE-OE1 3.41Å; K31-E147 IonicContact NZ-OE1 3.66Å; K31-E147 PolarHBondContact NZ-OE1 3.1Å; K31-E147 IonicContact NZ-OE2 2.89Å; K31-E147 PolarHBondContact NZ-OE2 3.12Å; K31-N319 WeakPolarHBondContact CE-OD1 3.49Å; K31-N319 PolarHBondContact NZ-OD1 2.72Å; K31-H322 HydrophobicContact CB-CB 4.07Å |
| 32 | A | 98.8 | Very high | 98.5 | Very high | 56 Ų | 56 | 60.7 Ų | 60.7 | 46% | 0.463 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.5 | -42.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A28 K29 K35 S36 | A28-A32 WeakPolarHBondContact O-CB 3.3Å; A28-A32 PolarHBondContact O-N 3.17Å; K29-A32 PolarHBondContact O-N 3.15Å; K29-A32 VanDerWaalsContact O-N 3.17Å; A32-K35 PolarHBondContact O-N 3.45Å; A32-S36 WeakPolarHBondContact O-CB 3.35Å; A32-S36 PolarHBondContact O-N 3.08Å; A32-S36 PolarHBondContact O-OG 2.95Å |
| 33 | D | 98.8 | Very high | 98.6 | Very high | 30 Ų | 30 | 59 Ų | 59 | 16% | 0.16 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 177.5 | -67.2 | -17.5 | 0 | 0 | 0 | 111 | K29 S36 G37 K38 E39 | K29-D33 IonicContact NZ-OD1 3.93Å; K29-D33 PolarHBondContact NZ-OD1 3.39Å; K29-D33 IonicContact NZ-OD2 3.82Å; K29-D33 PolarHBondContact NZ-OD2 3.18Å; K29-D33 VanDerWaalsContact O-CG 3.23Å; K29-D33 PolarHBondContact O-N 2.87Å; D33-S36 PolarHBondContact O-N 3.43Å; D33-S36 PolarHBondContact O-OG 3.15Å; D33-G37 PolarHBondContact O-N 2.79Å; D33-G37 VanDerWaalsContact O-N 3.08Å; D33-K38 PolarHBondContact O-N 3.48Å; D33-E39 HydrophobicContact CB-CB 4.26Å; D33-E39 PolarHBondContact O-N 3.08Å |
| 34 | K | 98.7 | Very high | 98.6 | Very high | 74 Ų | 74 | 63.9 Ų | 63.9 | 32% | 0.322 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.5 | -50.2 | 175.9 | -174.6 | -179.6 | 178.1 | 70.3 | 0 | 111.5 | L30 K31 S36 G37 E39 D69 M321 | L30-K34 WeakPolarHBondContact O-CB 3.49Å; L30-K34 PolarHBondContact O-N 2.98Å; K31-K34 PolarHBondContact O-N 3.33Å; K34-S36 PolarHBondContact O-N 3.31Å; K34-G37 PolarHBondContact O-N 2.91Å; K34-G37 VanDerWaalsContact O-N 3.15Å; K34-E39 WeakPolarHBondContact CB-OE2 3.48Å; K34-E39 WeakPolarHBondContact CG-OE2 3.35Å; K34-D69 WeakPolarHBondContact CD-OD2 3.46Å; K34-D69 VanDerWaalsContact CE-OD2 3.3Å; K34-D69 WeakPolarHBondContact CE-OD2 3.28Å; K34-D69 IonicContact NZ-OD1 2.77Å; K34-D69 PolarHBondContact NZ-OD1 2.9Å; K34-D69 IonicContact NZ-OD2 3.48Å; K34-D69 PolarHBondContact NZ-OD2 3.13Å; K34-M321 HydrophobicContact CD-CE 3.81Å |
| 35 | K | 98.4 | Very high | 98.6 | Very high | 132 Ų | 132 | 66.6 Ų | 66.6 | 57% | 0.574 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -63 | -30.7 | -179.9 | -72 | -172.8 | -166.5 | -81.2 | 0 | 112.4 | K31 A32 E318 | K31-K35 WeakPolarHBondContact O-CG 3.48Å; K31-K35 PolarHBondContact O-N 3.03Å; A32-K35 PolarHBondContact O-N 3.45Å; K35-E318 VanDerWaalsContact CE-OE1 3.29Å; K35-E318 WeakPolarHBondContact CE-OE1 3.4Å; K35-E318 IonicContact NZ-OE1 2.9Å; K35-E318 PolarHBondContact NZ-OE1 3.17Å; K35-E318 IonicContact NZ-OE2 3.88Å; K35-E318 PolarHBondContact NZ-OE2 3.15Å; K35-E318 VanDerWaalsContact NZ-OE2 3.15Å |
| 36 | S | 98.4 | Very high | 98.6 | Very high | 66 Ų | 66 | 62.6 Ų | 62.6 | 46% | 0.462 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -1.4 | 177.9 | 64.7 | 0 | 0 | 0 | 0 | 114.8 | A32 D33 K34 K38 | A32-S36 WeakPolarHBondContact O-CB 3.35Å; A32-S36 PolarHBondContact O-N 3.08Å; A32-S36 PolarHBondContact O-OG 2.95Å; D33-S36 PolarHBondContact O-N 3.43Å; D33-S36 PolarHBondContact O-OG 3.15Å; K34-S36 PolarHBondContact O-N 3.31Å; S36-K38 VanDerWaalsContact C-N 3.26Å; S36-K38 PolarHBondContact O-N 3.37Å |
| 37 | G | 98.3 | Very high | 98.6 | Very high | 72 Ų | 72 | 65 Ų | 65 | 74% | 0.742 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | 21.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | D33 K34 | D33-G37 PolarHBondContact O-N 2.79Å; D33-G37 VanDerWaalsContact O-N 3.08Å; K34-G37 PolarHBondContact O-N 2.91Å; K34-G37 VanDerWaalsContact O-N 3.15Å |
| 38 | K | 98.3 | Very high | 98.6 | Very high | 160 Ų | 160 | 64.9 Ų | 64.9 | 70% | 0.696 | 37% | 0.37 | S | S | * | . | trans | -112.9 | 17.5 | -177.4 | -61.9 | 179.5 | -176.8 | 176.7 | 0 | 112.8 | D33 S36 E40 | D33-K38 PolarHBondContact O-N 3.48Å; S36-K38 VanDerWaalsContact C-N 3.26Å; S36-K38 PolarHBondContact O-N 3.37Å; K38-E40 PolarHBondContact O-N 3.44Å | ||
| 39 | E | 98.4 | Very high | 98.6 | Very high | 45 Ų | 45 | 63 Ų | 63 | 21% | 0.21 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 124 | 178.9 | -174.4 | 167.2 | -163 | 0 | 0 | 111.3 | D33 K34 Q70 K325 | D33-E39 HydrophobicContact CB-CB 4.26Å; D33-E39 PolarHBondContact O-N 3.08Å; K34-E39 WeakPolarHBondContact CB-OE2 3.48Å; K34-E39 WeakPolarHBondContact CG-OE2 3.35Å; E39-Q70 PolarHBondContact OE1-NE2 3.42Å; E39-K325 VanDerWaalsContact OE1-CD 3.24Å; E39-K325 WeakPolarHBondContact OE1-CD 3.49Å; E39-K325 VanDerWaalsContact OE1-CE 3.3Å; E39-K325 WeakPolarHBondContact OE1-CE 3.34Å; E39-K325 IonicContact OE1-NZ 2.75Å; E39-K325 PolarHBondContact OE1-NZ 2.82Å; E39-K325 IonicContact OE2-NZ 3.21Å; E39-K325 PolarHBondContact OE2-NZ 2.99Å |
| 40 | E | 98.3 | Very high | 98.6 | Very high | 123 Ų | 123 | 57.5 Ų | 57.5 | 58% | 0.575 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -99.4 | 118.3 | 173.8 | -166.9 | -165.7 | 154.4 | 0 | 0 | 109.3 | K38 K42 | K38-E40 PolarHBondContact O-N 3.44Å; E40-K42 PolarHBondContact O-N 2.96Å; E40-K42 IonicContact OE1-NZ 2.91Å; E40-K42 PolarHBondContact OE1-NZ 3.11Å; E40-K42 WeakPolarHBondContact OE2-CE 3.39Å; E40-K42 IonicContact OE2-NZ 2.79Å; E40-K42 PolarHBondContact OE2-NZ 3Å |
| 41 | A | 98.6 | Very high | 98.5 | Very high | 42 Ų | 42 | 57.3 Ų | 57.3 | 35% | 0.347 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 116.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 42 | K | 98.5 | Very high | 98.4 | Very high | 87 Ų | 87 | 56.4 Ų | 56.4 | 38% | 0.378 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -99.3 | -10.5 | -178.4 | -59.9 | -60.6 | -179 | 177.9 | 0 | 114.5 | E40 V329 | E40-K42 PolarHBondContact O-N 2.96Å; E40-K42 IonicContact OE1-NZ 2.91Å; E40-K42 PolarHBondContact OE1-NZ 3.11Å; E40-K42 WeakPolarHBondContact OE2-CE 3.39Å; E40-K42 IonicContact OE2-NZ 2.79Å; E40-K42 PolarHBondContact OE2-NZ 3Å; K42-V329 HydrophobicContact CB-CG1 4.22Å; K42-V329 HydrophobicContact CG-CG1 4.29Å |
| 43 | L | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | trans | -114.9 | 21.2 | -173.1 | -52 | -178.2 | 0 | 0 | 0 | 112.6 | G45 K46 Q70 G71 A72 M328 V329 L332 | L43-G45 PolarHBondContact O-N 2.85Å; L43-K46 HydrophobicContact CB-CB 4.32Å; L43-K46 HydrophobicContact CB-CG 4.12Å; L43-K46 VanDerWaalsContact O-CB 3.28Å; L43-K46 WeakPolarHBondContact O-CB 3.33Å; L43-K46 WeakPolarHBondContact O-CG 3.32Å; L43-K46 PolarHBondContact O-N 3.39Å; L43-Q70 CarbonylContact C-O 3.26Å; L43-Q70 WeakPolarHBondContact CA-O 3.47Å; L43-Q70 HydrophobicContact CB-CB 3.9Å; L43-Q70 WeakPolarHBondContact CB-O 3.13Å; L43-Q70 HydrophobicContact CD1-CB 3.85Å; L43-Q70 HydrophobicContact CD1-CG 4.43Å; L43-Q70 HydrophobicContact CG-CB 3.85Å; L43-Q70 PolarHBondContact N-O 2.88Å; L43-G71 CarbonylContact O-C 3.53Å; L43-A72 HydrophobicContact CB-CB 3.99Å; L43-A72 PolarHBondContact O-N 3.21Å; L43-M328 HydrophobicContact CD1-CB 3.85Å; L43-V329 HydrophobicContact CD1-CG2 4.21Å; L43-V329 HydrophobicContact CG-CG2 4.3Å; L43-L332 HydrophobicContact CD1-CD1 4.34Å; L43-L332 HydrophobicContact CD2-CB 3.56Å; L43-L332 HydrophobicContact CD2-CD1 4.27Å | ||
| 44 | T | 98.7 | Very high | 97.7 | Very high | 107 Ų | 107 | 55.3 Ų | 55.3 | 66% | 0.656 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 123.2 | 177.9 | -61.1 | 0 | 0 | 0 | 0 | 110.7 | Q70 G71 | T44-Q70 PolarHBondContact N-O 3.04Å; T44-G71 WeakPolarHBondContact CA-O 3.47Å |
| 45 | G | 98.3 | Very high | 97 | Very high | 59 Ų | 59 | 57.1 Ų | 57.1 | 61% | 0.608 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.3 | 1.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | L43 G71 | L43-G45 PolarHBondContact O-N 2.85Å; G45-G71 PolarHBondContact N-O 2.9Å |
| 46 | K | 98.8 | Very high | 96.6 | Very high | 57 Ų | 57 | 51.8 Ų | 51.8 | 25% | 0.248 | 30% | 0.302 | C | S | . | . | trans | -81.4 | 141.2 | 174.7 | -61.2 | -66.6 | 179.1 | 177.2 | 0 | 111.7 | L43 A72 R73 D102 | L43-K46 HydrophobicContact CB-CB 4.32Å; L43-K46 HydrophobicContact CB-CG 4.12Å; L43-K46 VanDerWaalsContact O-CB 3.28Å; L43-K46 WeakPolarHBondContact O-CB 3.33Å; L43-K46 WeakPolarHBondContact O-CG 3.32Å; L43-K46 PolarHBondContact O-N 3.39Å; K46-A72 HydrophobicContact CB-CB 4.07Å; K46-A72 CarbonylContact O-C 3.6Å; K46-A72 VanDerWaalsContact O-CA 3.3Å; K46-A72 WeakPolarHBondContact O-CA 3.43Å; K46-A72 WeakPolarHBondContact O-CB 3.41Å; K46-R73 PolarHBondContact O-N 3.37Å; K46-D102 WeakPolarHBondContact CA-OD2 3.3Å; K46-D102 HydrophobicContact CB-CB 4.3Å; K46-D102 HydrophobicContact CD-CB 3.66Å; K46-D102 WeakPolarHBondContact CD-OD1 3.41Å; K46-D102 IonicContact NZ-OD1 3.11Å; K46-D102 PolarHBondContact NZ-OD1 2.91Å | ||
| 47 | N | 98.9 | Very high | 96.3 | Very high | 69 Ų | 69 | 53.4 Ų | 53.4 | 37% | 0.369 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 128.9 | 173.3 | -61.5 | -66.6 | 0 | 0 | 0 | 110.1 | R73 Y101 D102 | N47-R73 CarbonylContact C-O 3.6Å; N47-R73 WeakPolarHBondContact CA-O 3.38Å; N47-Y101 HydrophobicContact CB-CD1 3.98Å; N47-Y101 HydrophobicContact CB-CE1 4.48Å; N47-D102 PolarHBondContact N-OD2 3.17Å; N47-D102 PolarHBondContact O-N 2.75Å |
| 48 | I | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 129.4 | -175.9 | -66.3 | 171.8 | 0 | 0 | 0 | 110.6 | L50 A67 A72 R73 V74 T75 Y101 G103 W126 M328 L332 | I48-L50 HydrophobicContact CG2-CD2 3.72Å; I48-L50 HydrophobicContact CG2-CG 4.49Å; I48-A67 HydrophobicContact CD1-CB 4.35Å; I48-A72 HydrophobicContact CD1-CB 4.27Å; I48-R73 PolarHBondContact N-O 2.88Å; I48-V74 HydrophobicContact CB-CG1 4.41Å; I48-V74 CarbonylContact O-C 3.59Å; I48-V74 VanDerWaalsContact O-CA 3.28Å; I48-V74 WeakPolarHBondContact O-CA 3.5Å; I48-T75 PolarHBondContact O-N 3.44Å; I48-Y101 VanDerWaalsContact C-CD1 3.48Å; I48-G103 WeakPolarHBondContact CA-O 3.43Å; I48-W126 HydrophobicContact CD1-CH2 4.03Å; I48-W126 HydrophobicContact CD1-CZ3 4.28Å; I48-W126 HydrophobicContact CG1-CH2 4.21Å; I48-W126 HydrophobicContact CG1-CZ3 4.38Å; I48-W126 HydrophobicContact CG2-CH2 4.4Å; I48-W126 HydrophobicContact CG2-CZ3 3.72Å; I48-M328 HydrophobicContact CD1-SD 3.62Å; I48-L332 HydrophobicContact CD1-CD1 4.04Å; I48-L332 HydrophobicContact CG1-CD1 4.4Å |
| 49 | A | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 134.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y101 G103 I104 Q105 | A49-Y101 HydrophobicContact CB-CD1 3.85Å; A49-Y101 HydrophobicContact CB-CD2 3.77Å; A49-Y101 HydrophobicContact CB-CE1 4.06Å; A49-Y101 HydrophobicContact CB-CE2 4Å; A49-Y101 HydrophobicContact CB-CG 3.7Å; A49-G103 PolarHBondContact N-O 2.74Å; A49-I104 HydrophobicContact CB-CG1 4.37Å; A49-I104 HydrophobicContact CB-CG2 4.34Å; A49-I104 CarbonylContact O-C 3.56Å; A49-I104 WeakPolarHBondContact O-CA 3.34Å; A49-Q105 PolarHBondContact O-N 2.75Å |
| 50 | L | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 96.1 | 178.8 | -60.2 | -173.2 | 0 | 0 | 0 | 109.3 | I48 F52 F63 E64 V74 T75 L77 Q105 | I48-L50 HydrophobicContact CG2-CD2 3.72Å; I48-L50 HydrophobicContact CG2-CG 4.49Å; L50-F52 HydrophobicContact CB-CD2 4.18Å; L50-F52 HydrophobicContact CB-CE2 3.94Å; L50-F63 HydrophobicContact CD1-CB 4.07Å; L50-F63 HydrophobicContact CD2-CB 3.82Å; L50-F63 HydrophobicContact CD2-CD1 4.06Å; L50-F63 HydrophobicContact CD2-CG 4.12Å; L50-E64 HydrophobicContact CD1-CG 3.84Å; L50-V74 HydrophobicContact CD1-CB 4.01Å; L50-V74 HydrophobicContact CD1-CG1 4.3Å; L50-V74 HydrophobicContact CD1-CG2 4.32Å; L50-V74 HydrophobicContact CG-CB 4.28Å; L50-T75 PolarHBondContact N-O 3.16Å; L50-L77 PolarHBondContact O-N 2.79Å; L50-Q105 HydrophobicContact CD2-CB 3.62Å; L50-Q105 HydrophobicContact CD2-CG 4.34Å |
| 51 | I | 97.4 | Very high | 96.1 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 116.4 | 179.3 | -55.6 | 169.1 | 0 | 0 | 0 | 109 | E53 L77 I84 L97 I104 Q105 Y106 R107 L117 | I51-E53 HydrophobicContact CG2-CG 4.45Å; I51-L77 HydrophobicContact CG1-CD1 4.26Å; I51-I84 HydrophobicContact CD1-CD1 4.07Å; I51-I84 HydrophobicContact CG1-CD1 4.02Å; I51-I84 HydrophobicContact CG2-CD1 3.82Å; I51-L97 HydrophobicContact CD1-CD1 3.61Å; I51-L97 HydrophobicContact CG1-CD1 4.22Å; I51-I104 HydrophobicContact CD1-CG2 3.69Å; I51-I104 HydrophobicContact CG1-CG2 4.2Å; I51-Q105 PolarHBondContact N-O 3.41Å; I51-Y106 HydrophobicContact CB-CD2 4.24Å; I51-Y106 HydrophobicContact CG2-CD2 3.92Å; I51-Y106 HydrophobicContact CG2-CE2 4.44Å; I51-Y106 CarbonylContact O-C 3.59Å; I51-Y106 WeakPolarHBondContact O-CA 3.43Å; I51-R107 PolarHBondContact O-N 3.42Å; I51-L117 HydrophobicContact CD1-CD1 4.5Å; I51-L117 HydrophobicContact CD1-CD2 4Å |
| 52 | F | 96 | Very high | 96.1 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 105.8 | 177.1 | -79.9 | -100 | 0 | 0 | 0 | 110.1 | L50 T59 R60 Y76 L77 G78 P79 R107 | L50-F52 HydrophobicContact CB-CD2 4.18Å; L50-F52 HydrophobicContact CB-CE2 3.94Å; F52-T59 HydrophobicContact CE1-CG2 4.1Å; F52-T59 HydrophobicContact CZ-CG2 3.96Å; F52-R60 HydrophobicContact CE1-CB 4.04Å; F52-R60 HydrophobicContact CE2-CB 4.23Å; F52-R60 HydrophobicContact CE2-CG 4.47Å; F52-R60 VanDerWaalsContact CZ-CA 3.49Å; F52-R60 HydrophobicContact CZ-CB 3.75Å; F52-R60 HydrophobicContact CZ-CG 4.46Å; F52-Y76 HydrophobicContact CB-CE2 3.77Å; F52-Y76 AromaticContact CD2-CD2 3.82Å; F52-Y76 HydrophobicContact CD2-CD2 3.82Å; F52-Y76 AromaticContact CD2-CE2 3.56Å; F52-Y76 HydrophobicContact CD2-CE2 3.56Å; F52-Y76 HydrophobicContact CE2-CD2 4.37Å; F52-Y76 HydrophobicContact CE2-CE2 4.32Å; F52-Y76 HydrophobicContact CG-CD2 4.45Å; F52-Y76 AromaticContact CG-CE2 3.73Å; F52-Y76 HydrophobicContact CG-CE2 3.73Å; F52-L77 PolarHBondContact N-O 2.99Å; F52-G78 CarbonylContact O-C 3.04Å; F52-P79 VanDerWaalsContact O-CA 3.32Å; F52-P79 WeakPolarHBondContact O-CA 3.42Å; F52-P79 WeakPolarHBondContact O-CD 3.36Å; F52-P79 WeakPolarHBondContact O-CG 3.45Å; F52-R107 HydrophobicContact CD1-CB 3.98Å; F52-R107 HydrophobicContact CD1-CG 4.15Å; F52-R107 HydrophobicContact CE1-CB 4.11Å; F52-R107 HydrophobicContact CE1-CG 4.38Å |
| 53 | E | 93.3 | Very high | 96.1 | Very high | 36 Ų | 36 | 38.6 Ų | 38.6 | 17% | 0.168 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -91.8 | -14.2 | 169.8 | -58.6 | -167.4 | 111.6 | 0 | 0 | 112.7 | I51 Y106 R107 Y109 | I51-E53 HydrophobicContact CG2-CG 4.45Å; E53-Y106 HydrophobicContact CG-CE2 4.28Å; E53-Y106 WeakPolarHBondContact OE2-CE2 3.47Å; E53-Y106 PolarHBondContact OE2-OH 3.36Å; E53-R107 PolarHBondContact N-O 2.9Å; E53-Y109 HydrophobicContact CB-CD2 4.22Å; E53-Y109 HydrophobicContact CB-CE2 3.78Å |
| 54 | K | 89.4 | Confident | 96.1 | Very high | 26 Ų | 26 | 40.1 Ų | 40.1 | 11% | 0.113 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -124 | 143 | 170.9 | -68.5 | -179.1 | -176.9 | 167 | 0 | 110.5 | R107 G108 Y109 L129 N131 | K54-R107 HydrophobicContact CB-CG 4.36Å; K54-G108 WeakPolarHBondContact CD-O 3.49Å; K54-G108 WeakPolarHBondContact CE-O 3.47Å; K54-G108 PolarHBondContact NZ-O 2.76Å; K54-G108 VanDerWaalsContact NZ-O 3.09Å; K54-Y109 VanDerWaalsContact CE-CD1 3.48Å; K54-Y109 HydrophobicContact CG-CE1 4.35Å; K54-L129 HydrophobicContact CD-CD2 4.25Å; K54-N131 PolarHBondContact NZ-OD1 2.94Å |
| 55 | D | 85.3 | Confident | 96.1 | Very high | 113 Ų | 113 | 37.9 Ų | 37.9 | 60% | 0.604 | 21% | 0.212 | S | C | * | . | trans | -58.3 | 147.7 | 179.3 | -67.1 | -39.2 | 0 | 0 | 0 | 112.8 | R107 | D55-R107 PolarHBondContact O-NE 2.99Å; D55-R107 PolarHBondContact O-NH2 2.94Å | ||
| 56 | S | 88.9 | Confident | 96.1 | Very high | 20 Ų | 20 | 35 Ų | 35 | 14% | 0.14 | 18% | 0.183 | C | C | . | . | trans | -161.8 | 127.9 | 172.6 | -163.8 | 0 | 0 | 0 | 0 | 112.5 | T59 R60 R107 | S56-T59 WeakPolarHBondContact OG-CB 3.35Å; S56-T59 PolarHBondContact OG-N 3.49Å; S56-T59 PolarHBondContact OG-OG1 3.45Å; S56-R60 WeakPolarHBondContact O-CB 3.43Å; S56-R107 VanDerWaalsContact OG-CZ 3.32Å; S56-R107 PolarHBondContact OG-NH1 3.23Å | ||
| 57 | T | 92.5 | Very high | 96.1 | Very high | 99 Ų | 99 | 32.3 Ų | 32.3 | 61% | 0.607 | 17% | 0.171 | S | C | * | . | S | Bend | trans | -78.5 | -61.5 | 165.7 | -47.1 | 0 | 0 | 0 | 0 | 110.1 | C61 | T57-C61 WeakPolarHBondContact O-CB 3.44Å; T57-C61 PolarHBondContact O-N 3.29Å; T57-C61 PolarHBondContact O-SG 2.84Å; T57-C61 VanDerWaalsContact O-SG 3.33Å |
| 58 | R | 96.6 | Very high | 96.1 | Very high | 50 Ų | 50 | 33.5 Ų | 33.5 | 19% | 0.189 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.4 | -46.7 | -171 | -73.2 | 158.3 | -63.9 | -65.4 | -10.1 | 113.1 | S62 C274 L275 | R58-S62 WeakPolarHBondContact O-CB 3.37Å; R58-S62 PolarHBondContact O-N 3.46Å; R58-S62 PolarHBondContact O-OG 3.07Å; R58-C274 PolarHBondContact NE-O 2.87Å; R58-L275 PolarHBondContact NE-O 3.05Å; R58-L275 VanDerWaalsContact NE-O 3.16Å; R58-L275 PolarHBondContact NH2-O 3.48Å |
| 59 | T | 95.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.1 | -50.9 | -178 | -48.6 | 0 | 0 | 0 | 0 | 109.9 | F52 S56 S62 F63 R107 R320 | F52-T59 HydrophobicContact CE1-CG2 4.1Å; F52-T59 HydrophobicContact CZ-CG2 3.96Å; S56-T59 WeakPolarHBondContact OG-CB 3.35Å; S56-T59 PolarHBondContact OG-N 3.49Å; S56-T59 PolarHBondContact OG-OG1 3.45Å; T59-S62 PolarHBondContact O-N 3.22Å; T59-F63 HydrophobicContact CG2-CD2 3.7Å; T59-F63 HydrophobicContact CG2-CE2 3.66Å; T59-F63 VanDerWaalsContact O-CD2 3.29Å; T59-F63 WeakPolarHBondContact O-CD2 2.95Å; T59-F63 PolarHBondContact O-N 3.42Å; T59-R107 PolarHBondContact OG1-NH1 3.32Å; T59-R320 PolarHBondContact OG1-NH2 3.48Å |
| 60 | R | 97.7 | Very high | 96.1 | Very high | 90 Ų | 90 | 35.6 Ų | 35.6 | 34% | 0.34 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -57.6 | -55.9 | -180 | -178.7 | -174.9 | 165.8 | -170.3 | -5.7 | 111.7 | F52 S56 S62 F63 E64 Y76 | F52-R60 HydrophobicContact CE1-CB 4.04Å; F52-R60 HydrophobicContact CE2-CB 4.23Å; F52-R60 HydrophobicContact CE2-CG 4.47Å; F52-R60 VanDerWaalsContact CZ-CA 3.49Å; F52-R60 HydrophobicContact CZ-CB 3.75Å; F52-R60 HydrophobicContact CZ-CG 4.46Å; S56-R60 WeakPolarHBondContact O-CB 3.43Å; R60-S62 VanDerWaalsContact C-N 3.27Å; R60-S62 PolarHBondContact O-N 2.9Å; R60-F63 PolarHBondContact O-N 2.98Å; R60-E64 HydrophobicContact CG-CG 4.39Å; R60-E64 IonicContact CZ-OE1 2.81Å; R60-E64 IonicContact NE-OE1 3.46Å; R60-E64 PolarHBondContact NE-OE1 3.44Å; R60-E64 IonicContact NH2-OE1 3.44Å; R60-E64 PolarHBondContact NH2-OE1 3.21Å; R60-E64 VanDerWaalsContact NH2-OE1 3.14Å; R60-E64 WeakPolarHBondContact O-CG 3.18Å; R60-E64 PolarHBondContact O-N 3.23Å; R60-Y76 HydrophobicContact CG-CD2 4.2Å; R60-Y76 HydrophobicContact CG-CE2 4.25Å |
| 61 | C | 98.5 | Very high | 96.1 | Very high | 68 Ų | 68 | 37 Ų | 37 | 46% | 0.459 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.8 | -37.3 | -178.6 | -66.3 | 0 | 0 | 0 | 0 | 112.1 | T57 V65 | T57-C61 WeakPolarHBondContact O-CB 3.44Å; T57-C61 PolarHBondContact O-N 3.29Å; T57-C61 PolarHBondContact O-SG 2.84Å; T57-C61 VanDerWaalsContact O-SG 3.33Å; C61-V65 WeakPolarHBondContact O-CB 3.39Å; C61-V65 VanDerWaalsContact O-CG2 3.29Å; C61-V65 WeakPolarHBondContact O-CG2 2.88Å; C61-V65 PolarHBondContact O-N 3.41Å |
| 62 | S | 98.7 | Very high | 96.2 | Very high | 8 Ų | 8 | 37 Ų | 37 | 6% | 0.056 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.4 | -48.2 | 176.1 | -66 | 0 | 0 | 0 | 0 | 112.1 | R58 T59 R60 A66 R320 M321 | R58-S62 WeakPolarHBondContact O-CB 3.37Å; R58-S62 PolarHBondContact O-N 3.46Å; R58-S62 PolarHBondContact O-OG 3.07Å; T59-S62 PolarHBondContact O-N 3.22Å; R60-S62 VanDerWaalsContact C-N 3.27Å; R60-S62 PolarHBondContact O-N 2.9Å; S62-A66 WeakPolarHBondContact O-CB 3.36Å; S62-A66 PolarHBondContact O-N 3.1Å; S62-R320 WeakPolarHBondContact OG-CB 3.1Å; S62-M321 PolarHBondContact OG-N 3.18Å |
| 63 | F | 98.8 | Very high | 96.3 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.009 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.4 | -44.1 | 177.5 | -86.8 | -85.1 | 0 | 0 | 0 | 112.1 | L50 T59 R60 A67 Q105 W126 T136 I324 M328 | L50-F63 HydrophobicContact CD1-CB 4.07Å; L50-F63 HydrophobicContact CD2-CB 3.82Å; L50-F63 HydrophobicContact CD2-CD1 4.06Å; L50-F63 HydrophobicContact CD2-CG 4.12Å; T59-F63 HydrophobicContact CG2-CD2 3.7Å; T59-F63 HydrophobicContact CG2-CE2 3.66Å; T59-F63 VanDerWaalsContact O-CD2 3.29Å; T59-F63 WeakPolarHBondContact O-CD2 2.95Å; T59-F63 PolarHBondContact O-N 3.42Å; R60-F63 PolarHBondContact O-N 2.98Å; F63-A67 VanDerWaalsContact O-CB 3.22Å; F63-A67 WeakPolarHBondContact O-CB 3.47Å; F63-A67 PolarHBondContact O-N 3.17Å; F63-Q105 HydrophobicContact CD1-CB 3.9Å; F63-Q105 HydrophobicContact CD1-CG 3.8Å; F63-Q105 HydrophobicContact CD2-CG 3.79Å; F63-Q105 HydrophobicContact CE1-CB 3.71Å; F63-Q105 HydrophobicContact CE1-CG 3.49Å; F63-Q105 VanDerWaalsContact CE1-CG 3.49Å; F63-Q105 HydrophobicContact CE2-CG 3.49Å; F63-Q105 VanDerWaalsContact CE2-CG 3.49Å; F63-Q105 HydrophobicContact CG-CB 4.41Å; F63-Q105 HydrophobicContact CG-CG 3.96Å; F63-Q105 HydrophobicContact CZ-CB 4.09Å; F63-Q105 HydrophobicContact CZ-CG 3.34Å; F63-W126 HydrophobicContact CE1-CE3 4.14Å; F63-T136 HydrophobicContact CZ-CG2 4.35Å; F63-I324 HydrophobicContact CB-CG2 4.41Å; F63-I324 HydrophobicContact CD1-CG2 3.51Å; F63-I324 HydrophobicContact CD2-CD1 3.65Å; F63-I324 HydrophobicContact CD2-CG1 4.29Å; F63-I324 HydrophobicContact CD2-CG2 3.9Å; F63-I324 HydrophobicContact CE1-CG2 3.55Å; F63-I324 HydrophobicContact CE2-CD1 3.42Å; F63-I324 VanDerWaalsContact CE2-CD1 3.42Å; F63-I324 HydrophobicContact CE2-CG1 3.79Å; F63-I324 HydrophobicContact CE2-CG2 3.93Å; F63-I324 HydrophobicContact CG-CD1 4.49Å; F63-I324 HydrophobicContact CG-CG2 3.68Å; F63-I324 HydrophobicContact CZ-CB 4.49Å; F63-I324 HydrophobicContact CZ-CD1 4.13Å; F63-I324 HydrophobicContact CZ-CG1 3.96Å; F63-I324 HydrophobicContact CZ-CG2 3.75Å; F63-M328 HydrophobicContact CD1-SD 3.97Å; F63-M328 HydrophobicContact CE1-SD 4.37Å |
| 64 | E | 98.8 | Very high | 96.6 | Very high | 33 Ų | 33 | 43.7 Ų | 43.7 | 15% | 0.154 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.8 | -54.4 | 178.3 | -68.8 | -160.8 | -153.9 | 0 | 0 | 111.6 | L50 R60 A66 A67 Y68 V74 | L50-E64 HydrophobicContact CD1-CG 3.84Å; R60-E64 HydrophobicContact CG-CG 4.39Å; R60-E64 IonicContact CZ-OE1 2.81Å; R60-E64 IonicContact NE-OE1 3.46Å; R60-E64 PolarHBondContact NE-OE1 3.44Å; R60-E64 IonicContact NH2-OE1 3.44Å; R60-E64 PolarHBondContact NH2-OE1 3.21Å; R60-E64 VanDerWaalsContact NH2-OE1 3.14Å; R60-E64 WeakPolarHBondContact O-CG 3.18Å; R60-E64 PolarHBondContact O-N 3.23Å; E64-A66 PolarHBondContact O-N 2.74Å; E64-A67 PolarHBondContact O-N 2.98Å; E64-Y68 HydrophobicContact CB-CD2 4.42Å; E64-Y68 HydrophobicContact CB-CE2 3.79Å; E64-Y68 WeakPolarHBondContact O-CD2 3.39Å; E64-Y68 PolarHBondContact O-N 3.29Å; E64-Y68 PolarHBondContact OE2-OH 3.4Å; E64-Y68 VanDerWaalsContact OE2-OH 3.12Å; E64-V74 HydrophobicContact CB-CG2 4.47Å; E64-V74 HydrophobicContact CG-CG2 3.93Å |
| 65 | V | 98.8 | Very high | 97 | Very high | 60 Ų | 60 | 45 Ų | 45 | 36% | 0.364 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64 | -43 | -178.1 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | C61 A67 Y68 D69 M321 | C61-V65 WeakPolarHBondContact O-CB 3.39Å; C61-V65 VanDerWaalsContact O-CG2 3.29Å; C61-V65 WeakPolarHBondContact O-CG2 2.88Å; C61-V65 PolarHBondContact O-N 3.41Å; V65-A67 VanDerWaalsContact C-N 3.31Å; V65-A67 PolarHBondContact O-N 2.87Å; V65-Y68 PolarHBondContact O-N 3.29Å; V65-D69 WeakPolarHBondContact O-CB 3.45Å; V65-D69 VanDerWaalsContact O-CG 3.25Å; V65-D69 PolarHBondContact O-N 2.73Å; V65-M321 HydrophobicContact CB-CG 4.15Å; V65-M321 HydrophobicContact CG1-CE 4.46Å; V65-M321 HydrophobicContact CG1-CG 4.06Å; V65-M321 HydrophobicContact CG1-SD 4.29Å |
| 66 | A | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.7 | -39.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S62 E64 Q70 M321 I324 K325 M328 | S62-A66 WeakPolarHBondContact O-CB 3.36Å; S62-A66 PolarHBondContact O-N 3.1Å; E64-A66 PolarHBondContact O-N 2.74Å; A66-Q70 WeakPolarHBondContact O-CB 3.29Å; A66-Q70 WeakPolarHBondContact O-CG 3.48Å; A66-Q70 PolarHBondContact O-N 3.33Å; A66-M321 HydrophobicContact CB-CG 4.15Å; A66-M321 HydrophobicContact CB-SD 4.14Å; A66-I324 HydrophobicContact CB-CG2 4.25Å; A66-K325 HydrophobicContact CB-CB 3.66Å; A66-K325 HydrophobicContact CB-CG 4.11Å; A66-M328 HydrophobicContact CB-CE 3.35Å |
| 67 | A | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.4 | -46.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I48 F63 E64 V65 Q70 G71 A72 V74 M328 | I48-A67 HydrophobicContact CD1-CB 4.35Å; F63-A67 VanDerWaalsContact O-CB 3.22Å; F63-A67 WeakPolarHBondContact O-CB 3.47Å; F63-A67 PolarHBondContact O-N 3.17Å; E64-A67 PolarHBondContact O-N 2.98Å; V65-A67 VanDerWaalsContact C-N 3.31Å; V65-A67 PolarHBondContact O-N 2.87Å; A67-Q70 CarbonylContact O-C 3.59Å; A67-Q70 PolarHBondContact O-N 3.39Å; A67-Q70 VanDerWaalsContact O-N 3.17Å; A67-G71 PolarHBondContact O-N 2.83Å; A67-A72 HydrophobicContact CB-CB 4.06Å; A67-A72 WeakPolarHBondContact O-CB 3.32Å; A67-A72 PolarHBondContact O-N 2.98Å; A67-V74 HydrophobicContact CB-CG1 3.41Å; A67-V74 VanDerWaalsContact CB-CG1 3.41Å; A67-M328 HydrophobicContact CB-CE 4.22Å |
| 68 | Y | 98.9 | Very high | 98 | Very high | 94 Ų | 94 | 40 Ų | 40 | 37% | 0.369 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.9 | -44.6 | -180 | -61.1 | -31.4 | 0 | 0 | 0 | 112.6 | E64 V65 Q70 G71 V74 | E64-Y68 HydrophobicContact CB-CD2 4.42Å; E64-Y68 HydrophobicContact CB-CE2 3.79Å; E64-Y68 WeakPolarHBondContact O-CD2 3.39Å; E64-Y68 PolarHBondContact O-N 3.29Å; E64-Y68 PolarHBondContact OE2-OH 3.4Å; E64-Y68 VanDerWaalsContact OE2-OH 3.12Å; V65-Y68 PolarHBondContact O-N 3.29Å; Y68-Q70 PolarHBondContact O-N 2.85Å; Y68-G71 PolarHBondContact O-N 3.16Å; Y68-V74 HydrophobicContact CE1-CG1 4.4Å; Y68-V74 HydrophobicContact CE1-CG2 3.65Å; Y68-V74 WeakPolarHBondContact OH-CG2 3.45Å |
| 69 | D | 98.8 | Very high | 97.6 | Very high | 44 Ų | 44 | 41 Ų | 41 | 24% | 0.235 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.5 | -34.3 | 175.7 | -76.8 | -18.6 | 0 | 0 | 0 | 112 | K34 V65 G71 K325 | K34-D69 WeakPolarHBondContact CD-OD2 3.46Å; K34-D69 VanDerWaalsContact CE-OD2 3.3Å; K34-D69 WeakPolarHBondContact CE-OD2 3.28Å; K34-D69 IonicContact NZ-OD1 2.77Å; K34-D69 PolarHBondContact NZ-OD1 2.9Å; K34-D69 IonicContact NZ-OD2 3.48Å; K34-D69 PolarHBondContact NZ-OD2 3.13Å; V65-D69 WeakPolarHBondContact O-CB 3.45Å; V65-D69 VanDerWaalsContact O-CG 3.25Å; V65-D69 PolarHBondContact O-N 2.73Å; D69-G71 VanDerWaalsContact C-N 3.34Å; D69-K325 IonicContact OD2-NZ 2.69Å; D69-K325 PolarHBondContact OD2-NZ 3.45Å |
| 70 | Q | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 7.3 | -179.9 | -71.2 | -66.5 | -52.6 | 0 | 0 | 113.8 | E39 L43 T44 A66 A67 Y68 A72 K325 V329 | E39-Q70 PolarHBondContact OE1-NE2 3.42Å; L43-Q70 CarbonylContact C-O 3.26Å; L43-Q70 WeakPolarHBondContact CA-O 3.47Å; L43-Q70 HydrophobicContact CB-CB 3.9Å; L43-Q70 WeakPolarHBondContact CB-O 3.13Å; L43-Q70 HydrophobicContact CD1-CB 3.85Å; L43-Q70 HydrophobicContact CD1-CG 4.43Å; L43-Q70 HydrophobicContact CG-CB 3.85Å; L43-Q70 PolarHBondContact N-O 2.88Å; T44-Q70 PolarHBondContact N-O 3.04Å; A66-Q70 WeakPolarHBondContact O-CB 3.29Å; A66-Q70 WeakPolarHBondContact O-CG 3.48Å; A66-Q70 PolarHBondContact O-N 3.33Å; A67-Q70 CarbonylContact O-C 3.59Å; A67-Q70 PolarHBondContact O-N 3.39Å; A67-Q70 VanDerWaalsContact O-N 3.17Å; Y68-Q70 PolarHBondContact O-N 2.85Å; Q70-A72 VanDerWaalsContact C-N 3.34Å; Q70-K325 HydrophobicContact CG-CD 3.82Å; Q70-K325 HydrophobicContact CG-CG 3.61Å; Q70-V329 HydrophobicContact CG-CG2 3.84Å |
| 71 | G | 98.6 | Very high | 96.4 | Very high | 30 Ų | 30 | 45.8 Ų | 45.8 | 31% | 0.309 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | 7.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | L43 T44 G45 A67 Y68 D69 | L43-G71 CarbonylContact O-C 3.53Å; T44-G71 WeakPolarHBondContact CA-O 3.47Å; G45-G71 PolarHBondContact N-O 2.9Å; A67-G71 PolarHBondContact O-N 2.83Å; Y68-G71 PolarHBondContact O-N 3.16Å; D69-G71 VanDerWaalsContact C-N 3.34Å |
| 72 | A | 98.8 | Very high | 95.6 | Very high | 2 Ų | 2 | 44 Ų | 44 | 2% | 0.017 | 26% | 0.26 | C | S | . | . | trans | -83.8 | 165.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L43 K46 I48 A67 Q70 | L43-A72 HydrophobicContact CB-CB 3.99Å; L43-A72 PolarHBondContact O-N 3.21Å; K46-A72 HydrophobicContact CB-CB 4.07Å; K46-A72 CarbonylContact O-C 3.6Å; K46-A72 VanDerWaalsContact O-CA 3.3Å; K46-A72 WeakPolarHBondContact O-CA 3.43Å; K46-A72 WeakPolarHBondContact O-CB 3.41Å; I48-A72 HydrophobicContact CD1-CB 4.27Å; A67-A72 HydrophobicContact CB-CB 4.06Å; A67-A72 WeakPolarHBondContact O-CB 3.32Å; A67-A72 PolarHBondContact O-N 2.98Å; Q70-A72 VanDerWaalsContact C-N 3.34Å | ||
| 73 | R | 98.8 | Very high | 94.7 | Very high | 157 Ų | 157 | 48 Ų | 48 | 59% | 0.592 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 152 | 171.9 | -61.1 | -61.2 | -60.3 | 175.3 | 1.9 | 109.7 | K46 N47 I48 | K46-R73 PolarHBondContact O-N 3.37Å; N47-R73 CarbonylContact C-O 3.6Å; N47-R73 WeakPolarHBondContact CA-O 3.38Å; I48-R73 PolarHBondContact N-O 2.88Å |
| 74 | V | 98.8 | Very high | 93.9 | Very high | 21 Ų | 21 | 48.6 Ų | 48.6 | 13% | 0.127 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 148.1 | -176.8 | -55.2 | 0 | 0 | 0 | 0 | 111.6 | I48 L50 E64 A67 Y68 | I48-V74 HydrophobicContact CB-CG1 4.41Å; I48-V74 CarbonylContact O-C 3.59Å; I48-V74 VanDerWaalsContact O-CA 3.28Å; I48-V74 WeakPolarHBondContact O-CA 3.5Å; L50-V74 HydrophobicContact CD1-CB 4.01Å; L50-V74 HydrophobicContact CD1-CG1 4.3Å; L50-V74 HydrophobicContact CD1-CG2 4.32Å; L50-V74 HydrophobicContact CG-CB 4.28Å; E64-V74 HydrophobicContact CB-CG2 4.47Å; E64-V74 HydrophobicContact CG-CG2 3.93Å; A67-V74 HydrophobicContact CB-CG1 3.41Å; A67-V74 VanDerWaalsContact CB-CG1 3.41Å; Y68-V74 HydrophobicContact CE1-CG1 4.4Å; Y68-V74 HydrophobicContact CE1-CG2 3.65Å; Y68-V74 WeakPolarHBondContact OH-CG2 3.45Å |
| 75 | T | 98.5 | Very high | 92.7 | Very high | 55 Ų | 55 | 49.6 Ų | 49.6 | 34% | 0.337 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 116.1 | 166.6 | -58.9 | 0 | 0 | 0 | 0 | 108.8 | I48 L50 L77 Y101 | I48-T75 PolarHBondContact O-N 3.44Å; L50-T75 PolarHBondContact N-O 3.16Å; T75-L77 HydrophobicContact CG2-CD2 4.09Å; T75-L77 HydrophobicContact CG2-CG 4.42Å; T75-Y101 WeakPolarHBondContact CB-OH 3.26Å; T75-Y101 WeakPolarHBondContact CG2-OH 3.46Å; T75-Y101 WeakPolarHBondContact OG1-CE1 3.29Å; T75-Y101 PolarHBondContact OG1-OH 3.18Å |
| 76 | Y | 97.5 | Very high | 91.8 | Very high | 78 Ų | 78 | 52.6 Ų | 52.6 | 31% | 0.306 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 121.3 | 175.2 | 173.4 | -108.2 | 0 | 0 | 0 | 111.1 | F52 R60 G78 | F52-Y76 HydrophobicContact CB-CE2 3.77Å; F52-Y76 AromaticContact CD2-CD2 3.82Å; F52-Y76 HydrophobicContact CD2-CD2 3.82Å; F52-Y76 AromaticContact CD2-CE2 3.56Å; F52-Y76 HydrophobicContact CD2-CE2 3.56Å; F52-Y76 HydrophobicContact CE2-CD2 4.37Å; F52-Y76 HydrophobicContact CE2-CE2 4.32Å; F52-Y76 HydrophobicContact CG-CD2 4.45Å; F52-Y76 AromaticContact CG-CE2 3.73Å; F52-Y76 HydrophobicContact CG-CE2 3.73Å; R60-Y76 HydrophobicContact CG-CD2 4.2Å; R60-Y76 HydrophobicContact CG-CE2 4.25Å; Y76-G78 WeakPolarHBondContact OH-CA 3.17Å |
| 77 | L | 96.1 | Very high | 91.3 | Very high | 40 Ų | 40 | 60.4 Ų | 60.4 | 21% | 0.209 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 91.7 | 174 | -57.7 | 175.2 | 0 | 0 | 0 | 107.7 | L50 I51 F52 T75 I84 L97 | L50-L77 PolarHBondContact O-N 2.79Å; I51-L77 HydrophobicContact CG1-CD1 4.26Å; F52-L77 PolarHBondContact N-O 2.99Å; T75-L77 HydrophobicContact CG2-CD2 4.09Å; T75-L77 HydrophobicContact CG2-CG 4.42Å; L77-I84 HydrophobicContact CD1-CD1 4.27Å; L77-L97 HydrophobicContact CD1-CD1 4.49Å; L77-L97 HydrophobicContact CD1-CD2 4.34Å |
| 78 | G | 92.9 | Very high | 91 | Very high | 8 Ų | 8 | 64 Ų | 64 | 8% | 0.082 | 36% | 0.361 | C | S | . | . | trans | -74.5 | -177.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | F52 Y76 S80 | F52-G78 CarbonylContact O-C 3.04Å; Y76-G78 WeakPolarHBondContact OH-CA 3.17Å; G78-S80 PolarHBondContact O-N 3.05Å | ||
| 79 | P | 87.7 | Confident | 90.7 | Very high | 70 Ų | 70 | 62 Ų | 62 | 46% | 0.455 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -63.5 | -17 | -176.2 | -23.3 | 32.9 | 0 | 0 | 0 | 113.5 | F52 | F52-P79 VanDerWaalsContact O-CA 3.32Å; F52-P79 WeakPolarHBondContact O-CA 3.42Å; F52-P79 WeakPolarHBondContact O-CD 3.36Å; F52-P79 WeakPolarHBondContact O-CG 3.45Å |
| 80 | S | 86.2 | Confident | 90.5 | Very high | 106 Ų | 106 | 61.5 Ų | 61.5 | 74% | 0.741 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -121.6 | 150.8 | 173.2 | 61 | 0 | 0 | 0 | 0 | 110.7 | G78 | G78-S80 PolarHBondContact O-N 3.05Š|
| 81 | G | 82.8 | Confident | 90.4 | Very high | 86 Ų | 86 | 65 Ų | 65 | 89% | 0.887 | 37% | 0.372 | S | S | * | . | S | Bend | trans | 99.1 | -11.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 82 | S | 81.4 | Confident | 90.3 | Very high | 29 Ų | 29 | 66.7 Ų | 66.7 | 20% | 0.203 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -99.4 | -176.7 | 169.8 | 77.4 | 0 | 0 | 0 | 0 | 111.5 | I84 H86 | S82-I84 WeakPolarHBondContact OG-CG1 3.39Å; S82-I84 PolarHBondContact OG-N 2.74Å; S82-H86 PolarHBondContact O-CE1 3.33Å; S82-H86 PolarHBondContact O-NE2 2.85Å; S82-H86 VanDerWaalsContact O-NE2 3.16Å |
| 83 | Q | 80.8 | Confident | 90.2 | Very high | 93 Ų | 93 | 66.8 Ų | 66.8 | 44% | 0.435 | 38% | 0.375 | S | S | . | . | trans | -102.5 | -2.7 | 174.4 | -56.9 | -66.6 | -17.8 | 0 | 0 | 112.9 | G85 H86 K87 E88 | Q83-G85 PolarHBondContact O-N 3.29Å; Q83-H86 VanDerWaalsContact CA-CE1 3.42Å; Q83-H86 WeakPolarHBondContact CA-CE1 3.43Å; Q83-H86 PolarHBondContact O-ND1 3.47Å; Q83-K87 HydrophobicContact CB-CB 4.2Å; Q83-K87 PolarHBondContact O-N 3.37Å; Q83-E88 HydrophobicContact CB-CB 3.99Å; Q83-E88 PolarHBondContact O-N 2.84Å | ||
| 84 | I | 81.9 | Confident | 90.2 | Very high | 15 Ų | 15 | 59.3 Ų | 59.3 | 8% | 0.077 | 35% | 0.347 | C | S | . | . | B | Isolated β-bridge | trans | -63.5 | 129 | -165.2 | -56 | 178.3 | 0 | 0 | 0 | 110.3 | I51 L77 S82 H86 I90 T93 | I51-I84 HydrophobicContact CD1-CD1 4.07Å; I51-I84 HydrophobicContact CG1-CD1 4.02Å; I51-I84 HydrophobicContact CG2-CD1 3.82Å; L77-I84 HydrophobicContact CD1-CD1 4.27Å; S82-I84 WeakPolarHBondContact OG-CG1 3.39Å; S82-I84 PolarHBondContact OG-N 2.74Å; I84-H86 PolarHBondContact O-N 3.32Å; I84-H86 PolarHBondContact O-ND1 3.02Å; I84-I90 HydrophobicContact CG2-CD1 3.8Å; I84-T93 HydrophobicContact CD1-CG2 3.85Å; I84-T93 HydrophobicContact CG1-CG2 3.69Å; I84-T93 HydrophobicContact CG2-CG2 4.39Å |
| 85 | G | 73.6 | Confident | 90.2 | Very high | 54 Ų | 54 | 63.8 Ų | 63.8 | 56% | 0.557 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | -17.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116 | Q83 E88 | Q83-G85 PolarHBondContact O-N 3.29Å; G85-E88 PolarHBondContact N-O 3.34Å |
| 86 | H | 79.7 | Confident | 90.2 | Very high | 122 Ų | 122 | 64.2 Ų | 64.2 | 57% | 0.565 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.8 | -34.4 | -178 | 60.5 | -81.4 | 0 | 0 | 0 | 114.1 | S82 Q83 I84 | S82-H86 PolarHBondContact O-CE1 3.33Å; S82-H86 PolarHBondContact O-NE2 2.85Å; S82-H86 VanDerWaalsContact O-NE2 3.16Å; Q83-H86 VanDerWaalsContact CA-CE1 3.42Å; Q83-H86 WeakPolarHBondContact CA-CE1 3.43Å; Q83-H86 PolarHBondContact O-ND1 3.47Å; I84-H86 PolarHBondContact O-N 3.32Å; I84-H86 PolarHBondContact O-ND1 3.02Å |
| 87 | K | 87.9 | Confident | 90.2 | Very high | 165 Ų | 165 | 61.3 Ų | 61.3 | 72% | 0.717 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.7 | -16.4 | 179.9 | -87.9 | 178.3 | 175.1 | -178.5 | 0 | 113.7 | Q83 | Q83-K87 HydrophobicContact CB-CB 4.2Å; Q83-K87 PolarHBondContact O-N 3.37Å |
| 88 | E | 91.4 | Very high | 90.3 | Very high | 76 Ų | 76 | 60.2 Ų | 60.2 | 36% | 0.355 | 35% | 0.351 | S | S | . | . | B | Isolated β-bridge | trans | -134.7 | 142.3 | 176.4 | -171.7 | 166.3 | -135 | 0 | 0 | 110.4 | Q83 G85 D92 | Q83-E88 HydrophobicContact CB-CB 3.99Å; Q83-E88 PolarHBondContact O-N 2.84Å; G85-E88 PolarHBondContact N-O 3.34Å; E88-D92 HydrophobicContact CG-CB 3.97Å |
| 89 | S | 93.2 | Very high | 90.6 | Very high | 52 Ų | 52 | 70.8 Ų | 70.8 | 36% | 0.364 | 39% | 0.389 | S | S | . | . | trans | -66.1 | 150.5 | 178.1 | 81.2 | 0 | 0 | 0 | 0 | 110.8 | K91 D92 T93 | S89-K91 PolarHBondContact O-N 3.17Å; S89-D92 PolarHBondContact O-N 3Å; S89-D92 WeakPolarHBondContact OG-CB 3.32Å; S89-D92 PolarHBondContact OG-N 2.87Å; S89-D92 PolarHBondContact OG-OD2 3.41Å; S89-T93 WeakPolarHBondContact O-CB 3.38Å; S89-T93 PolarHBondContact O-N 3.29Å; S89-T93 PolarHBondContact O-OG1 2.99Å | ||
| 90 | I | 94.6 | Very high | 91.1 | Very high | 32 Ų | 32 | 73.5 Ų | 73.5 | 16% | 0.164 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -58.6 | -38 | 174.8 | -56.8 | -60 | 0 | 0 | 0 | 110.7 | I84 D92 T93 A94 I113 T116 L117 | I84-I90 HydrophobicContact CG2-CD1 3.8Å; I90-D92 PolarHBondContact O-N 3.44Å; I90-T93 PolarHBondContact O-N 2.91Å; I90-A94 VanDerWaalsContact O-CB 3.25Å; I90-A94 WeakPolarHBondContact O-CB 3.39Å; I90-A94 PolarHBondContact O-N 3.28Å; I90-I113 HydrophobicContact CD1-CG2 3.86Å; I90-I113 HydrophobicContact CG1-CG2 3.96Å; I90-I113 HydrophobicContact CG2-CG2 4.04Å; I90-T116 HydrophobicContact CB-CG2 4.34Å; I90-T116 HydrophobicContact CG2-CG2 4.07Å; I90-L117 HydrophobicContact CG2-CB 4.25Å |
| 91 | K | 96.8 | Very high | 91.7 | Very high | 73 Ų | 73 | 70.3 Ų | 70.3 | 32% | 0.317 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 177.9 | 176.3 | 163.6 | 178.3 | 160.1 | 0 | 113.1 | S89 R95 T116 Y120 | S89-K91 PolarHBondContact O-N 3.17Å; K91-R95 VanDerWaalsContact CE-CZ 3.46Å; K91-R95 WeakPolarHBondContact O-CD 3.3Å; K91-R95 VanDerWaalsContact O-CG 3.31Å; K91-R95 WeakPolarHBondContact O-CG 3.47Å; K91-R95 PolarHBondContact O-N 3.35Å; K91-T116 HydrophobicContact CB-CG2 4.41Å; K91-Y120 HydrophobicContact CB-CD2 4.15Å; K91-Y120 HydrophobicContact CB-CG 4.44Å; K91-Y120 HydrophobicContact CD-CD1 4.17Å; K91-Y120 HydrophobicContact CD-CD2 4.08Å; K91-Y120 HydrophobicContact CD-CE1 3.82Å; K91-Y120 HydrophobicContact CD-CE2 3.78Å; K91-Y120 HydrophobicContact CD-CG 4.31Å; K91-Y120 VanDerWaalsContact CE-CZ 3.4Å; K91-Y120 HydrophobicContact CG-CD1 3.9Å; K91-Y120 HydrophobicContact CG-CD2 3.8Å; K91-Y120 HydrophobicContact CG-CE1 4.08Å; K91-Y120 HydrophobicContact CG-CE2 4.04Å; K91-Y120 HydrophobicContact CG-CG 3.76Å; K91-Y120 PolarHBondContact NZ-OH 3.02Å |
| 92 | D | 97.5 | Very high | 92.5 | Very high | 66 Ų | 66 | 68.4 Ų | 68.4 | 35% | 0.353 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -76.7 | -41.7 | 178.9 | -61.2 | -36.6 | 0 | 0 | 0 | 111.2 | E88 S89 I90 A94 R95 V96 | E88-D92 HydrophobicContact CG-CB 3.97Å; S89-D92 PolarHBondContact O-N 3Å; S89-D92 WeakPolarHBondContact OG-CB 3.32Å; S89-D92 PolarHBondContact OG-N 2.87Å; S89-D92 PolarHBondContact OG-OD2 3.41Å; I90-D92 PolarHBondContact O-N 3.44Å; D92-A94 VanDerWaalsContact C-N 3.29Å; D92-A94 PolarHBondContact O-N 2.91Å; D92-R95 PolarHBondContact O-N 2.93Å; D92-R95 IonicContact OD1-NH1 3.48Å; D92-R95 PolarHBondContact OD1-NH1 2.88Å; D92-R95 VanDerWaalsContact OD1-NH1 3.11Å; D92-V96 WeakPolarHBondContact O-CG2 3.48Å; D92-V96 PolarHBondContact O-N 2.57Å |
| 93 | T | 96.9 | Very high | 93.3 | Very high | 5 Ų | 5 | 67 Ų | 67 | 3% | 0.031 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -51.7 | -49.4 | 170.6 | -62.7 | 0 | 0 | 0 | 0 | 110.9 | I84 S89 I90 R95 V96 L97 | I84-T93 HydrophobicContact CD1-CG2 3.85Å; I84-T93 HydrophobicContact CG1-CG2 3.69Å; I84-T93 HydrophobicContact CG2-CG2 4.39Å; S89-T93 WeakPolarHBondContact O-CB 3.38Å; S89-T93 PolarHBondContact O-N 3.29Å; S89-T93 PolarHBondContact O-OG1 2.99Å; I90-T93 PolarHBondContact O-N 2.91Å; T93-R95 PolarHBondContact O-N 2.63Å; T93-V96 PolarHBondContact O-N 3.01Å; T93-L97 HydrophobicContact CG2-CD1 3.76Å; T93-L97 HydrophobicContact CG2-CG 4.24Å; T93-L97 WeakPolarHBondContact O-CG 3.48Å; T93-L97 PolarHBondContact O-N 2.91Å |
| 94 | A | 97.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56.3 | -47.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I90 D92 V96 L97 G98 L117 A121 | I90-A94 VanDerWaalsContact O-CB 3.25Å; I90-A94 WeakPolarHBondContact O-CB 3.39Å; I90-A94 PolarHBondContact O-N 3.28Å; D92-A94 VanDerWaalsContact C-N 3.29Å; D92-A94 PolarHBondContact O-N 2.91Å; A94-V96 PolarHBondContact O-N 3.29Å; A94-L97 PolarHBondContact O-N 3.43Å; A94-G98 PolarHBondContact O-N 2.89Å; A94-L117 HydrophobicContact CB-CD1 3.57Å; A94-A121 HydrophobicContact CB-CB 4.29Å; A94-A121 WeakPolarHBondContact O-CA 3.41Å |
| 95 | R | 98.4 | Very high | 95 | Very high | 114 Ų | 114 | 61.9 Ų | 61.9 | 43% | 0.43 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.5 | -37 | 180 | -68 | 160.3 | 176.1 | 177.6 | -15.7 | 112.6 | K91 D92 T93 R99 | K91-R95 VanDerWaalsContact CE-CZ 3.46Å; K91-R95 WeakPolarHBondContact O-CD 3.3Å; K91-R95 VanDerWaalsContact O-CG 3.31Å; K91-R95 WeakPolarHBondContact O-CG 3.47Å; K91-R95 PolarHBondContact O-N 3.35Å; D92-R95 PolarHBondContact O-N 2.93Å; D92-R95 IonicContact OD1-NH1 3.48Å; D92-R95 PolarHBondContact OD1-NH1 2.88Å; D92-R95 VanDerWaalsContact OD1-NH1 3.11Å; T93-R95 PolarHBondContact O-N 2.63Å; R95-R99 VanDerWaalsContact O-CG 3.24Å; R95-R99 WeakPolarHBondContact O-CG 3.42Å |
| 96 | V | 98.3 | Very high | 96.1 | Very high | 65 Ų | 65 | 59.5 Ų | 59.5 | 39% | 0.394 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67.3 | -51.5 | 176.5 | 172.1 | 0 | 0 | 0 | 0 | 110.1 | D92 T93 A94 G98 R99 M100 | D92-V96 WeakPolarHBondContact O-CG2 3.48Å; D92-V96 PolarHBondContact O-N 2.57Å; T93-V96 PolarHBondContact O-N 3.01Å; A94-V96 PolarHBondContact O-N 3.29Å; V96-G98 PolarHBondContact O-N 3.26Å; V96-R99 PolarHBondContact O-N 2.92Å; V96-M100 HydrophobicContact CG1-CE 4.02Å |
| 97 | L | 98.2 | Very high | 97 | Very high | 17 Ų | 17 | 54 Ų | 54 | 9% | 0.089 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.5 | -40.3 | -177.8 | -66 | 179.9 | 0 | 0 | 0 | 112.2 | I51 L77 T93 A94 R99 M100 Y101 I104 | I51-L97 HydrophobicContact CD1-CD1 3.61Å; I51-L97 HydrophobicContact CG1-CD1 4.22Å; L77-L97 HydrophobicContact CD1-CD1 4.49Å; L77-L97 HydrophobicContact CD1-CD2 4.34Å; T93-L97 HydrophobicContact CG2-CD1 3.76Å; T93-L97 HydrophobicContact CG2-CG 4.24Å; T93-L97 WeakPolarHBondContact O-CG 3.48Å; T93-L97 PolarHBondContact O-N 2.91Å; A94-L97 PolarHBondContact O-N 3.43Å; L97-R99 PolarHBondContact O-N 3.29Å; L97-R99 VanDerWaalsContact O-N 3.11Å; L97-M100 PolarHBondContact O-N 2.96Å; L97-Y101 HydrophobicContact CB-CD2 4.26Å; L97-Y101 HydrophobicContact CD2-CD2 3.89Å; L97-Y101 HydrophobicContact CD2-CE2 3.65Å; L97-Y101 PolarHBondContact O-N 3.45Å; L97-I104 HydrophobicContact CB-CD1 3.69Å; L97-I104 HydrophobicContact CD1-CD1 4.42Å |
| 98 | G | 98.5 | Very high | 97.2 | Very high | 16 Ų | 16 | 46.2 Ų | 46.2 | 17% | 0.165 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -16.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | A94 V96 A121 | A94-G98 PolarHBondContact O-N 2.89Å; V96-G98 PolarHBondContact O-N 3.26Å; G98-A121 WeakPolarHBondContact CA-O 3.49Å |
| 99 | R | 98.5 | Very high | 97.2 | Very high | 230 Ų | 230 | 47.9 Ų | 47.9 | 87% | 0.868 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -13.7 | 172.7 | -68.1 | -71.6 | -168.1 | 132.7 | 2.8 | 113.6 | R95 V96 L97 | R95-R99 VanDerWaalsContact O-CG 3.24Å; R95-R99 WeakPolarHBondContact O-CG 3.42Å; V96-R99 PolarHBondContact O-N 2.92Å; L97-R99 PolarHBondContact O-N 3.29Å; L97-R99 VanDerWaalsContact O-N 3.11Å |
| 100 | M | 98.7 | Very high | 97.2 | Very high | 128 Ų | 128 | 45.5 Ų | 45.5 | 63% | 0.631 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113.4 | -32.1 | -174.3 | -63.3 | -174.1 | -176.9 | 0 | 0 | 113.3 | V96 L97 | V96-M100 HydrophobicContact CG1-CE 4.02Å; L97-M100 PolarHBondContact O-N 2.96Å |
| 101 | Y | 98.8 | Very high | 97.4 | Very high | 39 Ų | 39 | 44.8 Ų | 44.8 | 15% | 0.153 | 20% | 0.203 | C | C | . | . | trans | -114.7 | 153.3 | -172.6 | -65.6 | -84.9 | 0 | 0 | 0 | 111.4 | N47 I48 A49 T75 L97 | N47-Y101 HydrophobicContact CB-CD1 3.98Å; N47-Y101 HydrophobicContact CB-CE1 4.48Å; I48-Y101 VanDerWaalsContact C-CD1 3.48Å; A49-Y101 HydrophobicContact CB-CD1 3.85Å; A49-Y101 HydrophobicContact CB-CD2 3.77Å; A49-Y101 HydrophobicContact CB-CE1 4.06Å; A49-Y101 HydrophobicContact CB-CE2 4Å; A49-Y101 HydrophobicContact CB-CG 3.7Å; T75-Y101 WeakPolarHBondContact CB-OH 3.26Å; T75-Y101 WeakPolarHBondContact CG2-OH 3.46Å; T75-Y101 WeakPolarHBondContact OG1-CE1 3.29Å; T75-Y101 PolarHBondContact OG1-OH 3.18Å; L97-Y101 HydrophobicContact CB-CD2 4.26Å; L97-Y101 HydrophobicContact CD2-CD2 3.89Å; L97-Y101 HydrophobicContact CD2-CE2 3.65Å; L97-Y101 PolarHBondContact O-N 3.45Å | ||
| 102 | D | 98.8 | Very high | 97.4 | Very high | 46 Ų | 46 | 46.8 Ų | 46.8 | 25% | 0.246 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -85 | -18.5 | 176.3 | -64.3 | -94.1 | 0 | 0 | 0 | 113 | K46 N47 L332 | K46-D102 WeakPolarHBondContact CA-OD2 3.3Å; K46-D102 HydrophobicContact CB-CB 4.3Å; K46-D102 HydrophobicContact CD-CB 3.66Å; K46-D102 WeakPolarHBondContact CD-OD1 3.41Å; K46-D102 IonicContact NZ-OD1 3.11Å; K46-D102 PolarHBondContact NZ-OD1 2.91Å; N47-D102 PolarHBondContact N-OD2 3.17Å; N47-D102 PolarHBondContact O-N 2.75Å; D102-L332 HydrophobicContact CB-CD2 4.39Å; D102-L332 WeakPolarHBondContact O-CD2 3.47Å |
| 103 | G | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.9 | 157.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I48 A49 P124 | I48-G103 WeakPolarHBondContact CA-O 3.43Å; A49-G103 PolarHBondContact N-O 2.74Å; G103-P124 CarbonylContact C-O 3.46Å; G103-P124 WeakPolarHBondContact CA-O 3.33Å |
| 104 | I | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 123.1 | -173.1 | -52.3 | 175.5 | 0 | 0 | 0 | 109.9 | A49 I51 L97 L117 A121 V123 P124 V125 W126 | A49-I104 HydrophobicContact CB-CG1 4.37Å; A49-I104 HydrophobicContact CB-CG2 4.34Å; A49-I104 CarbonylContact O-C 3.56Å; A49-I104 WeakPolarHBondContact O-CA 3.34Å; I51-I104 HydrophobicContact CD1-CG2 3.69Å; I51-I104 HydrophobicContact CG1-CG2 4.2Å; L97-I104 HydrophobicContact CB-CD1 3.69Å; L97-I104 HydrophobicContact CD1-CD1 4.42Å; I104-L117 HydrophobicContact CD1-CD1 4.31Å; I104-L117 HydrophobicContact CG2-CD2 3.95Å; I104-A121 HydrophobicContact CD1-CB 3.81Å; I104-V123 HydrophobicContact CD1-CG2 3.97Å; I104-V123 HydrophobicContact CG1-CG2 3.94Å; I104-P124 PolarHBondContact N-O 3.12Å; I104-V125 HydrophobicContact CB-CG2 4.33Å; I104-V125 CarbonylContact O-C 3.48Å; I104-V125 WeakPolarHBondContact O-CA 3.34Å; I104-W126 PolarHBondContact O-N 2.86Å |
| 105 | Q | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 141.7 | 164.5 | 179.1 | -83.7 | -30.4 | 0 | 0 | 109.3 | A49 L50 I51 F63 W126 | A49-Q105 PolarHBondContact O-N 2.75Å; L50-Q105 HydrophobicContact CD2-CB 3.62Å; L50-Q105 HydrophobicContact CD2-CG 4.34Å; I51-Q105 PolarHBondContact N-O 3.41Å; F63-Q105 HydrophobicContact CD1-CB 3.9Å; F63-Q105 HydrophobicContact CD1-CG 3.8Å; F63-Q105 HydrophobicContact CD2-CG 3.79Å; F63-Q105 HydrophobicContact CE1-CB 3.71Å; F63-Q105 HydrophobicContact CE1-CG 3.49Å; F63-Q105 VanDerWaalsContact CE1-CG 3.49Å; F63-Q105 HydrophobicContact CE2-CG 3.49Å; F63-Q105 VanDerWaalsContact CE2-CG 3.49Å; F63-Q105 HydrophobicContact CG-CB 4.41Å; F63-Q105 HydrophobicContact CG-CG 3.96Å; F63-Q105 HydrophobicContact CZ-CB 4.09Å; F63-Q105 HydrophobicContact CZ-CG 3.34Å; Q105-W126 WeakPolarHBondContact CA-O 3.34Å; Q105-W126 HydrophobicContact CB-CE3 4.12Å |
| 106 | Y | 98.3 | Very high | 97.4 | Very high | 3 Ų | 3 | 44.9 Ų | 44.9 | 1% | 0.012 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 136.2 | 173.6 | 170.6 | -96.3 | 0 | 0 | 0 | 111.1 | I51 E53 Y109 I113 V114 L117 W126 G128 T130 | I51-Y106 HydrophobicContact CB-CD2 4.24Å; I51-Y106 HydrophobicContact CG2-CD2 3.92Å; I51-Y106 HydrophobicContact CG2-CE2 4.44Å; I51-Y106 CarbonylContact O-C 3.59Å; I51-Y106 WeakPolarHBondContact O-CA 3.43Å; E53-Y106 HydrophobicContact CG-CE2 4.28Å; E53-Y106 WeakPolarHBondContact OE2-CE2 3.47Å; E53-Y106 PolarHBondContact OE2-OH 3.36Å; Y106-Y109 PolarHBondContact OH-N 3.07Å; Y106-Y109 VanDerWaalsContact OH-N 3.09Å; Y106-I113 HydrophobicContact CE1-CB 4.41Å; Y106-I113 HydrophobicContact CE1-CG2 4.2Å; Y106-I113 HydrophobicContact CE2-CG2 3.69Å; Y106-I113 VanDerWaalsContact CZ-CG2 3.45Å; Y106-I113 WeakPolarHBondContact OH-CB 3.36Å; Y106-I113 WeakPolarHBondContact OH-CD1 3.34Å; Y106-I113 WeakPolarHBondContact OH-CG2 3.46Å; Y106-V114 HydrophobicContact CD1-CB 3.56Å; Y106-V114 HydrophobicContact CD1-CG2 3.61Å; Y106-V114 HydrophobicContact CE1-CB 3.93Å; Y106-V114 HydrophobicContact CE1-CG2 4.47Å; Y106-V114 HydrophobicContact CG-CB 4.37Å; Y106-V114 HydrophobicContact CG-CG2 4.1Å; Y106-L117 HydrophobicContact CD2-CD2 4.31Å; Y106-L117 HydrophobicContact CG-CD2 4.22Å; Y106-W126 PolarHBondContact N-O 2.87Å; Y106-G128 WeakPolarHBondContact O-CA 3.33Å; Y106-G128 PolarHBondContact O-N 3.01Å; Y106-T130 HydrophobicContact CD1-CG2 4.38Å; Y106-T130 HydrophobicContact CE1-CG2 3.98Å |
| 107 | R | 97.2 | Very high | 97.4 | Very high | 8 Ų | 8 | 41.9 Ų | 41.9 | 3% | 0.03 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 123.8 | 168.4 | 165.5 | 166.1 | 177.6 | 135.2 | -10.8 | 108.6 | I51 F52 E53 K54 D55 S56 T59 L129 | I51-R107 PolarHBondContact O-N 3.42Å; F52-R107 HydrophobicContact CD1-CB 3.98Å; F52-R107 HydrophobicContact CD1-CG 4.15Å; F52-R107 HydrophobicContact CE1-CB 4.11Å; F52-R107 HydrophobicContact CE1-CG 4.38Å; E53-R107 PolarHBondContact N-O 2.9Å; K54-R107 HydrophobicContact CB-CG 4.36Å; D55-R107 PolarHBondContact O-NE 2.99Å; D55-R107 PolarHBondContact O-NH2 2.94Å; S56-R107 VanDerWaalsContact OG-CZ 3.32Å; S56-R107 PolarHBondContact OG-NH1 3.23Å; T59-R107 PolarHBondContact OG1-NH1 3.32Å; R107-L129 CarbonylContact C-O 3.51Å; R107-L129 WeakPolarHBondContact CA-O 3.23Å; R107-L129 HydrophobicContact CG-CB 4.06Å |
| 108 | G | 93.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -174.3 | -129.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | K54 L129 | K54-G108 WeakPolarHBondContact CD-O 3.49Å; K54-G108 WeakPolarHBondContact CE-O 3.47Å; K54-G108 PolarHBondContact NZ-O 2.76Å; K54-G108 VanDerWaalsContact NZ-O 3.09Å; G108-L129 PolarHBondContact N-O 2.86Å |
| 109 | Y | 91.6 | Very high | 97.4 | Very high | 111 Ų | 111 | 47 Ų | 47 | 44% | 0.435 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -98 | -128.2 | -170.5 | -55.4 | -79.8 | 0 | 0 | 0 | 111.5 | E53 K54 Y106 T130 N131 | E53-Y109 HydrophobicContact CB-CD2 4.22Å; E53-Y109 HydrophobicContact CB-CE2 3.78Å; K54-Y109 VanDerWaalsContact CE-CD1 3.48Å; K54-Y109 HydrophobicContact CG-CE1 4.35Å; Y106-Y109 PolarHBondContact OH-N 3.07Å; Y106-Y109 VanDerWaalsContact OH-N 3.09Å; Y109-T130 CarbonylContact O-C 3.59Å; Y109-T130 WeakPolarHBondContact O-CA 3.38Å; Y109-T130 WeakPolarHBondContact O-CB 3.15Å; Y109-N131 PolarHBondContact O-N 3.19Å |
| 110 | G | 93 | Very high | 97.5 | Very high | 2 Ų | 2 | 39 Ų | 39 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | trans | -63 | 149.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | E112 I113 N131 E132 | G110-E112 VanDerWaalsContact CA-OE2 3.23Å; G110-E112 WeakPolarHBondContact CA-OE2 3.39Å; G110-E112 PolarHBondContact O-N 2.83Å; G110-I113 WeakPolarHBondContact O-CB 3.37Å; G110-I113 PolarHBondContact O-N 3.29Å; G110-I113 VanDerWaalsContact O-N 3.14Å; G110-N131 PolarHBondContact N-ND2 3.26Å; G110-E132 WeakPolarHBondContact CA-OE2 3.4Å | ||
| 111 | Q | 97.7 | Very high | 97.4 | Very high | 18 Ų | 18 | 33.3 Ų | 33.3 | 8% | 0.084 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.5 | -34.2 | 178.2 | -174.2 | 66.3 | 19.8 | 0 | 0 | 111.7 | L10 I113 V114 E115 N127 T130 E132 F133 | L10-Q111 PolarHBondContact O-NE2 2.6Å; Q111-I113 PolarHBondContact O-N 3.49Å; Q111-I113 VanDerWaalsContact O-N 3.09Å; Q111-V114 HydrophobicContact CG-CG1 4.42Å; Q111-V114 VanDerWaalsContact O-CG1 3.26Å; Q111-V114 WeakPolarHBondContact O-CG1 3.48Å; Q111-V114 PolarHBondContact O-N 2.96Å; Q111-E115 HydrophobicContact CG-CG 4.09Å; Q111-E115 PolarHBondContact NE2-OE1 2.82Å; Q111-E115 WeakPolarHBondContact O-CG 3.3Å; Q111-E115 PolarHBondContact O-N 3.03Å; Q111-N127 PolarHBondContact OE1-ND2 3.42Å; Q111-T130 PolarHBondContact OE1-OG1 3.21Å; Q111-E132 HydrophobicContact CB-CB 4.29Å; Q111-E132 HydrophobicContact CB-CG 4.25Å; Q111-E132 WeakPolarHBondContact CB-OE2 3.31Å; Q111-E132 PolarHBondContact N-OE2 2.85Å; Q111-F133 HydrophobicContact CG-CD2 4.26Å; Q111-F133 HydrophobicContact CG-CE2 4.48Å |
| 112 | E | 97.3 | Very high | 97.4 | Very high | 114 Ų | 114 | 34.7 Ų | 34.7 | 53% | 0.533 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -56.4 | -29.6 | 178 | 72.9 | -71.3 | 169.8 | 0 | 0 | 113.4 | G110 T116 | G110-E112 VanDerWaalsContact CA-OE2 3.23Å; G110-E112 WeakPolarHBondContact CA-OE2 3.39Å; G110-E112 PolarHBondContact O-N 2.83Å; E112-T116 VanDerWaalsContact O-CB 3.31Å; E112-T116 WeakPolarHBondContact O-CB 3.43Å; E112-T116 PolarHBondContact O-N 3.37Å; E112-T116 PolarHBondContact O-OG1 3.02Å |
| 113 | I | 96.6 | Very high | 97.4 | Very high | 30 Ų | 30 | 33.6 Ų | 33.6 | 15% | 0.154 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.7 | -46.1 | 177.3 | -61.8 | 171.4 | 0 | 0 | 0 | 110 | I90 Y106 G110 Q111 T116 L117 | I90-I113 HydrophobicContact CD1-CG2 3.86Å; I90-I113 HydrophobicContact CG1-CG2 3.96Å; I90-I113 HydrophobicContact CG2-CG2 4.04Å; Y106-I113 HydrophobicContact CE1-CB 4.41Å; Y106-I113 HydrophobicContact CE1-CG2 4.2Å; Y106-I113 HydrophobicContact CE2-CG2 3.69Å; Y106-I113 VanDerWaalsContact CZ-CG2 3.45Å; Y106-I113 WeakPolarHBondContact OH-CB 3.36Å; Y106-I113 WeakPolarHBondContact OH-CD1 3.34Å; Y106-I113 WeakPolarHBondContact OH-CG2 3.46Å; G110-I113 WeakPolarHBondContact O-CB 3.37Å; G110-I113 PolarHBondContact O-N 3.29Å; G110-I113 VanDerWaalsContact O-N 3.14Å; Q111-I113 PolarHBondContact O-N 3.49Å; Q111-I113 VanDerWaalsContact O-N 3.09Å; I113-T116 PolarHBondContact O-N 2.88Å; I113-L117 WeakPolarHBondContact O-CB 3.35Å; I113-L117 PolarHBondContact O-N 3.04Å |
| 114 | V | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -72.6 | -33.7 | -179 | 78.5 | 0 | 0 | 0 | 0 | 111.9 | L10 Y106 Q111 L117 A118 V125 N127 T130 | L10-V114 HydrophobicContact CD2-CG1 4.48Å; L10-V114 HydrophobicContact CD2-CG2 3.93Å; Y106-V114 HydrophobicContact CD1-CB 3.56Å; Y106-V114 HydrophobicContact CD1-CG2 3.61Å; Y106-V114 HydrophobicContact CE1-CB 3.93Å; Y106-V114 HydrophobicContact CE1-CG2 4.47Å; Y106-V114 HydrophobicContact CG-CB 4.37Å; Y106-V114 HydrophobicContact CG-CG2 4.1Å; Q111-V114 HydrophobicContact CG-CG1 4.42Å; Q111-V114 VanDerWaalsContact O-CG1 3.26Å; Q111-V114 WeakPolarHBondContact O-CG1 3.48Å; Q111-V114 PolarHBondContact O-N 2.96Å; V114-L117 PolarHBondContact O-N 3.01Å; V114-A118 WeakPolarHBondContact O-CB 3.37Å; V114-A118 PolarHBondContact O-N 3.03Å; V114-V125 HydrophobicContact CG2-CG1 3.82Å; V114-N127 HydrophobicContact CG2-CB 4.37Å; V114-T130 HydrophobicContact CB-CG2 4.27Å; V114-T130 HydrophobicContact CG1-CG2 3.87Å |
| 115 | E | 98.6 | Very high | 97.4 | Very high | 70 Ų | 70 | 33.6 Ų | 33.6 | 33% | 0.327 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62.7 | -47.3 | 171.6 | -63.3 | -62.7 | 158.4 | 0 | 0 | 111 | L10 Q111 L117 A118 E119 | L10-E115 WeakPolarHBondContact CD1-OE2 3.5Å; Q111-E115 HydrophobicContact CG-CG 4.09Å; Q111-E115 PolarHBondContact NE2-OE1 2.82Å; Q111-E115 WeakPolarHBondContact O-CG 3.3Å; Q111-E115 PolarHBondContact O-N 3.03Å; E115-L117 VanDerWaalsContact C-N 3.33Å; E115-L117 PolarHBondContact O-N 2.81Å; E115-A118 WeakPolarHBondContact O-CB 3.36Å; E115-A118 PolarHBondContact O-N 3.35Å; E115-E119 PolarHBondContact O-N 2.62Å |
| 116 | T | 98.3 | Very high | 97.4 | Very high | 45 Ų | 45 | 33.6 Ų | 33.6 | 28% | 0.276 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -60.8 | -43.2 | 175.8 | -59.2 | 0 | 0 | 0 | 0 | 111 | I90 K91 E112 I113 A118 E119 Y120 | I90-T116 HydrophobicContact CB-CG2 4.34Å; I90-T116 HydrophobicContact CG2-CG2 4.07Å; K91-T116 HydrophobicContact CB-CG2 4.41Å; E112-T116 VanDerWaalsContact O-CB 3.31Å; E112-T116 WeakPolarHBondContact O-CB 3.43Å; E112-T116 PolarHBondContact O-N 3.37Å; E112-T116 PolarHBondContact O-OG1 3.02Å; I113-T116 PolarHBondContact O-N 2.88Å; T116-A118 VanDerWaalsContact C-N 3.33Å; T116-A118 PolarHBondContact O-N 3.08Å; T116-E119 PolarHBondContact O-N 3.03Å; T116-Y120 HydrophobicContact CG2-CD2 3.83Å; T116-Y120 HydrophobicContact CG2-CE2 4.08Å; T116-Y120 VanDerWaalsContact O-CD2 3.24Å; T116-Y120 WeakPolarHBondContact O-CD2 3.48Å; T116-Y120 PolarHBondContact O-N 2.82Å |
| 117 | L | 98.2 | Very high | 97.4 | Very high | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.6 | -44.9 | 176.6 | -179.3 | 61.3 | 0 | 0 | 0 | 111.2 | I51 I90 A94 I104 Y106 I113 V114 E115 Y120 A121 V125 | I51-L117 HydrophobicContact CD1-CD1 4.5Å; I51-L117 HydrophobicContact CD1-CD2 4Å; I90-L117 HydrophobicContact CG2-CB 4.25Å; A94-L117 HydrophobicContact CB-CD1 3.57Å; I104-L117 HydrophobicContact CD1-CD1 4.31Å; I104-L117 HydrophobicContact CG2-CD2 3.95Å; Y106-L117 HydrophobicContact CD2-CD2 4.31Å; Y106-L117 HydrophobicContact CG-CD2 4.22Å; I113-L117 WeakPolarHBondContact O-CB 3.35Å; I113-L117 PolarHBondContact O-N 3.04Å; V114-L117 PolarHBondContact O-N 3.01Å; E115-L117 VanDerWaalsContact C-N 3.33Å; E115-L117 PolarHBondContact O-N 2.81Å; L117-Y120 PolarHBondContact O-N 3.04Å; L117-A121 WeakPolarHBondContact O-CB 3.47Å; L117-A121 PolarHBondContact O-N 3.38Å; L117-V125 HydrophobicContact CB-CG1 4.48Å; L117-V125 HydrophobicContact CD2-CG1 3.86Å; L117-V125 HydrophobicContact CG-CG1 4.02Å; L117-V125 HydrophobicContact CG-CG2 4.23Å |
| 118 | A | 98.6 | Very high | 97.5 | Very high | 6 Ų | 6 | 33.1 Ų | 33.1 | 5% | 0.05 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.6 | -45.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | H8 L10 V114 E115 T116 Y120 V125 | H8-A118 HydrophobicContact CB-CB 4.48Å; H8-A118 PolarHBondContact CE1-O 3.12Å; H8-A118 PolarHBondContact NE2-O 3.33Å; L10-A118 HydrophobicContact CD1-CB 3.71Å; L10-A118 HydrophobicContact CD2-CB 4.15Å; V114-A118 WeakPolarHBondContact O-CB 3.37Å; V114-A118 PolarHBondContact O-N 3.03Å; E115-A118 WeakPolarHBondContact O-CB 3.36Å; E115-A118 PolarHBondContact O-N 3.35Å; T116-A118 VanDerWaalsContact C-N 3.33Å; T116-A118 PolarHBondContact O-N 3.08Å; A118-Y120 VanDerWaalsContact C-N 3.3Å; A118-Y120 PolarHBondContact O-N 2.89Å; A118-V125 HydrophobicContact CB-CB 4.03Å; A118-V125 HydrophobicContact CB-CG1 4.46Å; A118-V125 HydrophobicContact CB-CG2 4.21Å |
| 119 | E | 98.5 | Very high | 97.7 | Very high | 133 Ų | 133 | 33.8 Ų | 33.8 | 62% | 0.621 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -58.3 | -40.4 | 179.5 | -171.4 | -170.3 | 156.7 | 0 | 0 | 112.3 | E115 T116 | E115-E119 PolarHBondContact O-N 2.62Å; T116-E119 PolarHBondContact O-N 3.03Å |
| 120 | Y | 98.7 | Very high | 97.9 | Very high | 63 Ų | 63 | 28.5 Ų | 28.5 | 25% | 0.247 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -103.6 | -13.8 | -169.7 | -69.6 | -71.8 | 0 | 0 | 0 | 115.6 | K91 T116 L117 A118 | K91-Y120 HydrophobicContact CB-CD2 4.15Å; K91-Y120 HydrophobicContact CB-CG 4.44Å; K91-Y120 HydrophobicContact CD-CD1 4.17Å; K91-Y120 HydrophobicContact CD-CD2 4.08Å; K91-Y120 HydrophobicContact CD-CE1 3.82Å; K91-Y120 HydrophobicContact CD-CE2 3.78Å; K91-Y120 HydrophobicContact CD-CG 4.31Å; K91-Y120 VanDerWaalsContact CE-CZ 3.4Å; K91-Y120 HydrophobicContact CG-CD1 3.9Å; K91-Y120 HydrophobicContact CG-CD2 3.8Å; K91-Y120 HydrophobicContact CG-CE1 4.08Å; K91-Y120 HydrophobicContact CG-CE2 4.04Å; K91-Y120 HydrophobicContact CG-CG 3.76Å; K91-Y120 PolarHBondContact NZ-OH 3.02Å; T116-Y120 HydrophobicContact CG2-CD2 3.83Å; T116-Y120 HydrophobicContact CG2-CE2 4.08Å; T116-Y120 VanDerWaalsContact O-CD2 3.24Å; T116-Y120 WeakPolarHBondContact O-CD2 3.48Å; T116-Y120 PolarHBondContact O-N 2.82Å; L117-Y120 PolarHBondContact O-N 3.04Å; A118-Y120 VanDerWaalsContact C-N 3.3Å; A118-Y120 PolarHBondContact O-N 2.89Å |
| 121 | A | 98.5 | Very high | 97.9 | Very high | 8 Ų | 8 | 31.9 Ų | 31.9 | 7% | 0.066 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -76.3 | -35.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | A94 G98 I104 L117 V123 V125 | A94-A121 HydrophobicContact CB-CB 4.29Å; A94-A121 WeakPolarHBondContact O-CA 3.41Å; G98-A121 WeakPolarHBondContact CA-O 3.49Å; I104-A121 HydrophobicContact CD1-CB 3.81Å; L117-A121 WeakPolarHBondContact O-CB 3.47Å; L117-A121 PolarHBondContact O-N 3.38Å; A121-V123 HydrophobicContact CB-CG2 4.09Å; A121-V123 PolarHBondContact O-N 3.4Å; A121-V125 HydrophobicContact CB-CG2 4.1Å |
| 122 | G | 98.3 | Very high | 97.9 | Very high | 69 Ų | 69 | 33.9 Ų | 33.9 | 71% | 0.711 | 19% | 0.185 | S | C | * | . | S | Bend | trans | 70.7 | 13.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 123 | V | 98.7 | Very high | 97.9 | Very high | 22 Ų | 22 | 29.7 Ų | 29.7 | 13% | 0.133 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -135.1 | 160.6 | 173.6 | -65 | 0 | 0 | 0 | 0 | 109.5 | H8 I104 A121 V125 | H8-V123 PolarHBondContact CE1-O 3.13Å; I104-V123 HydrophobicContact CD1-CG2 3.97Å; I104-V123 HydrophobicContact CG1-CG2 3.94Å; A121-V123 HydrophobicContact CB-CG2 4.09Å; A121-V123 PolarHBondContact O-N 3.4Å; V123-V125 PolarHBondContact O-N 3.2Å |
| 124 | P | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | trans | -49.9 | 134 | 174.9 | -32.8 | 39.8 | 0 | 0 | 0 | 113.1 | G103 I104 W126 L332 | G103-P124 CarbonylContact C-O 3.46Å; G103-P124 WeakPolarHBondContact CA-O 3.33Å; I104-P124 PolarHBondContact N-O 3.12Å; P124-W126 HydrophobicContact CB-CZ2 3.81Å; P124-L332 HydrophobicContact CB-CD2 4.45Å; P124-L332 HydrophobicContact CG-CD2 3.9Å | ||
| 125 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 131.3 | 176.5 | -180 | 0 | 0 | 0 | 0 | 108 | H8 F9 L10 I104 V114 L117 A118 A121 V123 | H8-V125 CarbonylContact C-O 3.58Å; H8-V125 WeakPolarHBondContact CA-O 3.26Å; H8-V125 WeakPolarHBondContact CB-O 3.45Å; H8-V125 WeakPolarHBondContact ND1-CB 3.4Å; H8-V125 PolarHBondContact ND1-N 2.92Å; F9-V125 PolarHBondContact N-O 3.48Å; L10-V125 HydrophobicContact CD2-CB 4.29Å; L10-V125 HydrophobicContact CD2-CG1 4.14Å; I104-V125 HydrophobicContact CB-CG2 4.33Å; I104-V125 CarbonylContact O-C 3.48Å; I104-V125 WeakPolarHBondContact O-CA 3.34Å; V114-V125 HydrophobicContact CG2-CG1 3.82Å; L117-V125 HydrophobicContact CB-CG1 4.48Å; L117-V125 HydrophobicContact CD2-CG1 3.86Å; L117-V125 HydrophobicContact CG-CG1 4.02Å; L117-V125 HydrophobicContact CG-CG2 4.23Å; A118-V125 HydrophobicContact CB-CB 4.03Å; A118-V125 HydrophobicContact CB-CG1 4.46Å; A118-V125 HydrophobicContact CB-CG2 4.21Å; A121-V125 HydrophobicContact CB-CG2 4.1Å; V123-V125 PolarHBondContact O-N 3.2Å |
| 126 | W | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 125.7 | -176.8 | -42.7 | -67.9 | 0 | 0 | 0 | 111.1 | F9 I48 F63 I104 Q105 Y106 P124 G128 V327 M328 T331 L332 | F9-W126 HydrophobicContact CB-CB 4.44Å; F9-W126 HydrophobicContact CB-CG 4.49Å; F9-W126 WeakPolarHBondContact O-CA 3.4Å; I48-W126 HydrophobicContact CD1-CH2 4.03Å; I48-W126 HydrophobicContact CD1-CZ3 4.28Å; I48-W126 HydrophobicContact CG1-CH2 4.21Å; I48-W126 HydrophobicContact CG1-CZ3 4.38Å; I48-W126 HydrophobicContact CG2-CH2 4.4Å; I48-W126 HydrophobicContact CG2-CZ3 3.72Å; F63-W126 HydrophobicContact CE1-CE3 4.14Å; I104-W126 PolarHBondContact O-N 2.86Å; Q105-W126 WeakPolarHBondContact CA-O 3.34Å; Q105-W126 HydrophobicContact CB-CE3 4.12Å; Y106-W126 PolarHBondContact N-O 2.87Å; P124-W126 HydrophobicContact CB-CZ2 3.81Å; W126-G128 PolarHBondContact O-N 3.27Å; W126-V327 VanDerWaalsContact CD1-CG1 3.46Å; W126-V327 HydrophobicContact CG-CG1 4.06Å; W126-M328 HydrophobicContact CE3-CG 4.46Å; W126-M328 HydrophobicContact CH2-CG 4.02Å; W126-M328 HydrophobicContact CZ2-CG 4.14Å; W126-M328 HydrophobicContact CZ3-CG 4.19Å; W126-M328 HydrophobicContact CZ3-SD 4.38Å; W126-T331 PolarHBondContact NE1-OG1 2.75Å; W126-L332 HydrophobicContact CH2-CD1 3.75Å; W126-L332 HydrophobicContact CH2-CG 4.27Å; W126-L332 HydrophobicContact CZ2-CD1 3.89Å; W126-L332 HydrophobicContact CZ2-CD2 4.34Å; W126-L332 HydrophobicContact CZ2-CG 3.92Å |
| 127 | N | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 106 | 176.2 | -178.4 | 5 | 0 | 0 | 0 | 110.8 | F9 L10 Q111 V114 L129 T130 P135 T136 | F9-N127 PolarHBondContact O-N 2.96Å; L10-N127 WeakPolarHBondContact O-CB 3.41Å; L10-N127 PolarHBondContact O-ND2 2.92Å; Q111-N127 PolarHBondContact OE1-ND2 3.42Å; V114-N127 HydrophobicContact CG2-CB 4.37Å; N127-L129 VanDerWaalsContact OD1-CA 3.28Å; N127-L129 WeakPolarHBondContact OD1-CA 3.47Å; N127-L129 PolarHBondContact OD1-N 3.12Å; N127-T130 PolarHBondContact ND2-OG1 3.17Å; N127-T130 VanDerWaalsContact ND2-OG1 3.08Å; N127-T130 PolarHBondContact OD1-N 2.92Å; N127-P135 HydrophobicContact CB-CG 4.04Å; N127-T136 WeakPolarHBondContact O-CG2 3.27Å; N127-T136 PolarHBondContact O-OG1 2.76Å |
| 128 | G | 98 | Very high | 98 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -12.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y106 W126 H134 | Y106-G128 WeakPolarHBondContact O-CA 3.33Å; Y106-G128 PolarHBondContact O-N 3.01Å; W126-G128 PolarHBondContact O-N 3.27Å; G128-H134 PolarHBondContact O-CE1 2.84Å; G128-H134 PolarHBondContact O-ND1 3.3Å |
| 129 | L | 97.3 | Very high | 98 | Very high | 14 Ų | 14 | 23 Ų | 23 | 7% | 0.073 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 165.5 | 129.7 | 165.2 | 174.9 | 157.7 | 0 | 0 | 0 | 109 | K54 R107 G108 N127 N168 | K54-L129 HydrophobicContact CD-CD2 4.25Å; R107-L129 CarbonylContact C-O 3.51Å; R107-L129 WeakPolarHBondContact CA-O 3.23Å; R107-L129 HydrophobicContact CG-CB 4.06Å; G108-L129 PolarHBondContact N-O 2.86Å; N127-L129 VanDerWaalsContact OD1-CA 3.28Å; N127-L129 WeakPolarHBondContact OD1-CA 3.47Å; N127-L129 PolarHBondContact OD1-N 3.12Å; L129-N168 WeakPolarHBondContact CG-ND2 3.45Å |
| 130 | T | 96.1 | Very high | 98 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | trans | -116.3 | 177.8 | 165.7 | 49.6 | 0 | 0 | 0 | 0 | 110.2 | Y106 Y109 Q111 V114 N127 E132 F133 N168 | Y106-T130 HydrophobicContact CD1-CG2 4.38Å; Y106-T130 HydrophobicContact CE1-CG2 3.98Å; Y109-T130 CarbonylContact O-C 3.59Å; Y109-T130 WeakPolarHBondContact O-CA 3.38Å; Y109-T130 WeakPolarHBondContact O-CB 3.15Å; Q111-T130 PolarHBondContact OE1-OG1 3.21Å; V114-T130 HydrophobicContact CB-CG2 4.27Å; V114-T130 HydrophobicContact CG1-CG2 3.87Å; N127-T130 PolarHBondContact ND2-OG1 3.17Å; N127-T130 VanDerWaalsContact ND2-OG1 3.08Å; N127-T130 PolarHBondContact OD1-N 2.92Å; T130-E132 PolarHBondContact O-N 3.33Å; T130-F133 PolarHBondContact N-O 3.47Å; T130-F133 PolarHBondContact OG1-N 2.77Å; T130-F133 VanDerWaalsContact OG1-N 3.1Å; T130-F133 PolarHBondContact OG1-O 2.7Å; T130-F133 VanDerWaalsContact OG1-O 3.09Å; T130-N168 WeakPolarHBondContact O-CB 3.44Å; T130-N168 PolarHBondContact O-ND2 3.45Å | ||
| 131 | N | 94 | Very high | 98 | Very high | 73 Ų | 73 | 13.9 Ų | 13.9 | 39% | 0.39 | 9% | 0.089 | S | C | . | . | S | Bend | trans | -63.3 | -30.3 | 172.4 | -68.4 | -20.9 | 0 | 0 | 0 | 111.7 | K54 Y109 G110 N168 | K54-N131 PolarHBondContact NZ-OD1 2.94Å; Y109-N131 PolarHBondContact O-N 3.19Å; G110-N131 PolarHBondContact N-ND2 3.26Å; N131-N168 WeakPolarHBondContact O-CB 3.44Å |
| 132 | E | 96.4 | Very high | 98 | Very high | 61 Ų | 61 | 13.6 Ų | 13.6 | 29% | 0.285 | 9% | 0.086 | S | C | . | . | S | Bend | trans | -97.4 | -35.4 | -172.5 | -61.7 | 72.4 | -161.9 | 0 | 0 | 112.7 | G110 Q111 T130 N168 N171 | G110-E132 WeakPolarHBondContact CA-OE2 3.4Å; Q111-E132 HydrophobicContact CB-CB 4.29Å; Q111-E132 HydrophobicContact CB-CG 4.25Å; Q111-E132 WeakPolarHBondContact CB-OE2 3.31Å; Q111-E132 PolarHBondContact N-OE2 2.85Å; T130-E132 PolarHBondContact O-N 3.33Å; E132-N168 WeakPolarHBondContact O-CA 3.29Å; E132-N171 WeakPolarHBondContact O-CB 3.44Å; E132-N171 PolarHBondContact O-ND2 3.42Å |
| 133 | F | 98.2 | Very high | 98.1 | Very high | 25 Ų | 25 | 10.4 Ų | 10.4 | 11% | 0.11 | 5% | 0.053 | C | C | . | . | trans | -140.4 | 150.2 | -173.6 | -58.7 | -73.9 | 0 | 0 | 0 | 113.6 | K11 Q111 T130 N171 S172 E175 L198 | K11-F133 HydrophobicContact CB-CB 4.43Å; K11-F133 HydrophobicContact CB-CD1 4.41Å; K11-F133 HydrophobicContact CB-CD2 4.06Å; K11-F133 HydrophobicContact CB-CE2 4.44Å; K11-F133 HydrophobicContact CB-CG 4.05Å; K11-F133 HydrophobicContact CD-CD2 4.29Å; K11-F133 HydrophobicContact CD-CE2 3.91Å; K11-F133 HydrophobicContact CD-CZ 4.22Å; Q111-F133 HydrophobicContact CG-CD2 4.26Å; Q111-F133 HydrophobicContact CG-CE2 4.48Å; T130-F133 PolarHBondContact N-O 3.47Å; T130-F133 PolarHBondContact OG1-N 2.77Å; T130-F133 VanDerWaalsContact OG1-N 3.1Å; T130-F133 PolarHBondContact OG1-O 2.7Å; T130-F133 VanDerWaalsContact OG1-O 3.09Å; F133-N171 HydrophobicContact CD1-CB 4.15Å; F133-N171 HydrophobicContact CE1-CB 4.01Å; F133-S172 WeakPolarHBondContact CA-OG 3.45Å; F133-E175 HydrophobicContact CD1-CG 4.31Å; F133-E175 WeakPolarHBondContact CD1-OE2 3.49Å; F133-E175 HydrophobicContact CE1-CG 3.94Å; F133-L198 HydrophobicContact CE1-CD2 4.38Å | ||
| 134 | H | 97.8 | Very high | 98.1 | Very high | 8 Ų | 8 | 9.4 Ų | 9.4 | 4% | 0.037 | 5% | 0.047 | C | C | . | . | trans | -134.3 | 60.9 | 172.9 | -163.2 | -3.3 | 0 | 0 | 0 | 110.6 | G128 T136 Q137 L138 M169 S172 | G128-H134 PolarHBondContact O-CE1 2.84Å; G128-H134 PolarHBondContact O-ND1 3.3Å; H134-T136 PolarHBondContact CE1-OG1 3.3Å; H134-T136 PolarHBondContact ND1-OG1 2.77Å; H134-T136 PolarHBondContact O-N 2.7Å; H134-T136 VanDerWaalsContact O-N 3.14Å; H134-Q137 HydrophobicContact CB-CB 4.28Å; H134-Q137 WeakPolarHBondContact O-CB 3.37Å; H134-Q137 PolarHBondContact O-N 3.49Å; H134-L138 PolarHBondContact O-N 3.05Å; H134-M169 HydrophobicContact CB-SD 3.95Å; H134-S172 PolarHBondContact N-OG 2.79Å | ||
| 135 | P | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -65.2 | -28.8 | -167.3 | 30.1 | -38.6 | 0 | 0 | 0 | 112.9 | F9 L12 N127 Q137 L138 L139 | F9-P135 HydrophobicContact CD1-CB 4.32Å; F9-P135 HydrophobicContact CD1-CG 4.12Å; F9-P135 HydrophobicContact CE1-CB 3.52Å; F9-P135 HydrophobicContact CE1-CG 3.75Å; F9-P135 HydrophobicContact CZ-CB 3.92Å; L12-P135 HydrophobicContact CD2-CB 3.99Å; L12-P135 HydrophobicContact CG-CB 3.97Å; N127-P135 HydrophobicContact CB-CG 4.04Å; P135-Q137 VanDerWaalsContact C-N 3.32Å; P135-Q137 PolarHBondContact O-N 3.19Å; P135-L138 PolarHBondContact O-N 3.21Å; P135-L139 PolarHBondContact O-N 3.48Å |
| 136 | T | 98 | Very high | 98.1 | Very high | 1 Ų | 1 | 12.1 Ų | 12.1 | 1% | 0.006 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -67.6 | -27.9 | 175.4 | 47.6 | 0 | 0 | 0 | 0 | 113.7 | F9 F63 N127 H134 I324 | F9-T136 HydrophobicContact CD1-CG2 4.2Å; F9-T136 HydrophobicContact CE1-CG2 4.01Å; F63-T136 HydrophobicContact CZ-CG2 4.35Å; N127-T136 WeakPolarHBondContact O-CG2 3.27Å; N127-T136 PolarHBondContact O-OG1 2.76Å; H134-T136 PolarHBondContact CE1-OG1 3.3Å; H134-T136 PolarHBondContact ND1-OG1 2.77Å; H134-T136 PolarHBondContact O-N 2.7Å; H134-T136 VanDerWaalsContact O-N 3.14Å; T136-I324 HydrophobicContact CG2-CG1 4.15Å |
| 137 | Q | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 15.5 Ų | 15.5 | 1% | 0.005 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -71.3 | -46.2 | 173.3 | -177.8 | 62.2 | 61.5 | 0 | 0 | 109.7 | H134 P135 L139 A140 D141 M169 C274 R320 | H134-Q137 HydrophobicContact CB-CB 4.28Å; H134-Q137 WeakPolarHBondContact O-CB 3.37Å; H134-Q137 PolarHBondContact O-N 3.49Å; P135-Q137 VanDerWaalsContact C-N 3.32Å; P135-Q137 PolarHBondContact O-N 3.19Å; Q137-L139 VanDerWaalsContact C-N 3.3Å; Q137-L139 PolarHBondContact O-N 3.21Å; Q137-A140 WeakPolarHBondContact O-CA 3.41Å; Q137-A140 VanDerWaalsContact O-CB 3.29Å; Q137-A140 WeakPolarHBondContact O-CB 3.29Å; Q137-A140 PolarHBondContact O-N 3.34Å; Q137-D141 PolarHBondContact NE2-OD1 3.16Å; Q137-D141 PolarHBondContact O-N 2.69Å; Q137-M169 HydrophobicContact CB-CE 4.44Å; Q137-M169 HydrophobicContact CB-SD 4.05Å; Q137-M169 HydrophobicContact CG-CE 3.71Å; Q137-M169 HydrophobicContact CG-SD 3.69Å; Q137-C274 HydrophobicContact CG-CB 3.93Å; Q137-R320 VanDerWaalsContact OE1-CD 3.29Å |
| 138 | L | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 18.1 Ų | 18.1 | 1% | 0.01 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64.5 | -32.4 | -177.3 | -83.9 | -66.4 | 0 | 0 | 0 | 113.1 | L12 H134 P135 A140 D141 L142 M169 M173 A176 | L12-L138 HydrophobicContact CD1-CB 3.78Å; L12-L138 HydrophobicContact CD1-CG 4.29Å; H134-L138 PolarHBondContact O-N 3.05Å; P135-L138 PolarHBondContact O-N 3.21Å; L138-A140 VanDerWaalsContact C-N 3.3Å; L138-A140 PolarHBondContact O-N 2.79Å; L138-D141 PolarHBondContact O-N 3.39Å; L138-L142 WeakPolarHBondContact O-CB 3.38Å; L138-L142 WeakPolarHBondContact O-CG 3.3Å; L138-L142 PolarHBondContact O-N 2.89Å; L138-M169 HydrophobicContact CD2-CE 3.53Å; L138-M169 HydrophobicContact CD2-SD 4.09Å; L138-M173 HydrophobicContact CD1-CG 3.92Å; L138-A176 HydrophobicContact CD1-CB 3.96Å; L138-A176 HydrophobicContact CG-CB 4.45Å |
| 139 | L | 98.8 | Very high | 98.1 | Very high | 3 Ų | 3 | 19.9 Ų | 19.9 | 2% | 0.016 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -59.5 | -43.1 | 170 | -69.1 | -175.7 | 0 | 0 | 0 | 112 | F9 L12 L20 L24 P135 Q137 L143 T323 V327 | F9-L139 HydrophobicContact CE1-CD1 4.04Å; F9-L139 HydrophobicContact CE2-CD1 3.92Å; F9-L139 HydrophobicContact CE2-CG 4.49Å; F9-L139 HydrophobicContact CZ-CD1 3.42Å; F9-L139 VanDerWaalsContact CZ-CD1 3.42Å; F9-L139 HydrophobicContact CZ-CD2 4.27Å; F9-L139 HydrophobicContact CZ-CG 3.77Å; L12-L139 HydrophobicContact CD2-CD2 4.26Å; L20-L139 HydrophobicContact CD1-CD2 3.35Å; L24-L139 HydrophobicContact CD2-CD2 4.33Å; L24-L139 WeakPolarHBondContact CD2-O 3.46Å; P135-L139 PolarHBondContact O-N 3.48Å; Q137-L139 VanDerWaalsContact C-N 3.3Å; Q137-L139 PolarHBondContact O-N 3.21Å; L139-L143 WeakPolarHBondContact O-CB 3.18Å; L139-L143 PolarHBondContact O-N 3.48Å; L139-T323 HydrophobicContact CB-CG2 4.02Å; L139-V327 HydrophobicContact CD1-CG2 3.45Å; L139-V327 VanDerWaalsContact CD1-CG2 3.45Å |
| 140 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.8 | -41.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q137 L138 L143 T144 N319 R320 | Q137-A140 WeakPolarHBondContact O-CA 3.41Å; Q137-A140 VanDerWaalsContact O-CB 3.29Å; Q137-A140 WeakPolarHBondContact O-CB 3.29Å; Q137-A140 PolarHBondContact O-N 3.34Å; L138-A140 VanDerWaalsContact C-N 3.3Å; L138-A140 PolarHBondContact O-N 2.79Å; A140-L143 PolarHBondContact O-N 3.49Å; A140-T144 WeakPolarHBondContact O-CB 3.35Å; A140-T144 PolarHBondContact O-N 3.11Å; A140-T144 PolarHBondContact O-OG1 3.09Å; A140-N319 HydrophobicContact CB-CB 4.09Å; A140-R320 HydrophobicContact CB-CG 4.07Å |
| 141 | D | 98.9 | Very high | 98.2 | Very high | 3 Ų | 3 | 28.4 Ų | 28.4 | 2% | 0.016 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.7 | -49.5 | 179.3 | -54.7 | -19.6 | 0 | 0 | 0 | 110.6 | Q137 L138 L143 T144 M145 Q316 | Q137-D141 PolarHBondContact NE2-OD1 3.16Å; Q137-D141 PolarHBondContact O-N 2.69Å; L138-D141 PolarHBondContact O-N 3.39Å; D141-L143 PolarHBondContact O-N 3.06Å; D141-T144 WeakPolarHBondContact O-CB 3.47Å; D141-T144 PolarHBondContact O-N 3.28Å; D141-T144 VanDerWaalsContact O-N 3.12Å; D141-M145 VanDerWaalsContact O-CG 3.3Å; D141-M145 WeakPolarHBondContact O-CG 3.17Å; D141-M145 PolarHBondContact O-N 3.36Å; D141-Q316 WeakPolarHBondContact OD1-CG 3.21Å; D141-Q316 PolarHBondContact OD1-NE2 3.39Å |
| 142 | L | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.5 | -42.4 | 178.1 | -70.1 | 174 | 0 | 0 | 0 | 112.2 | L20 L24 L138 T144 M145 Q146 F154 A176 T180 L182 | L20-L142 HydrophobicContact CD1-CD1 4.17Å; L20-L142 HydrophobicContact CD2-CD1 4.01Å; L20-L142 HydrophobicContact CG-CD1 4.48Å; L24-L142 HydrophobicContact CD1-CB 4.08Å; L24-L142 HydrophobicContact CD2-CB 4.04Å; L138-L142 WeakPolarHBondContact O-CB 3.38Å; L138-L142 WeakPolarHBondContact O-CG 3.3Å; L138-L142 PolarHBondContact O-N 2.89Å; L142-T144 VanDerWaalsContact C-N 3.35Å; L142-M145 HydrophobicContact CD2-CE 3.86Å; L142-M145 PolarHBondContact O-N 2.95Å; L142-Q146 WeakPolarHBondContact O-CG 3.43Å; L142-Q146 PolarHBondContact O-N 3.06Å; L142-F154 HydrophobicContact CB-CE1 4.02Å; L142-F154 HydrophobicContact CB-CZ 3.8Å; L142-F154 HydrophobicContact CD2-CD1 4.03Å; L142-F154 HydrophobicContact CD2-CE1 3.61Å; L142-F154 HydrophobicContact CD2-CZ 3.93Å; L142-F154 HydrophobicContact CG-CE1 4.41Å; L142-F154 HydrophobicContact CG-CZ 4.36Å; L142-A176 HydrophobicContact CD1-CB 4.47Å; L142-T180 HydrophobicContact CD1-CG2 4.21Å; L142-T180 HydrophobicContact CD2-CG2 4.2Å; L142-L182 HydrophobicContact CD2-CD1 3.99Å |
| 143 | L | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.016 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.2 | -43.1 | 174.5 | 178.7 | 60.6 | 0 | 0 | 0 | 111.1 | L24 A27 A28 L139 A140 D141 M145 Q146 E147 N319 T323 | L24-L143 HydrophobicContact CD2-CB 4.15Å; A27-L143 HydrophobicContact CB-CD2 4.01Å; A28-L143 HydrophobicContact CB-CD1 4.02Å; L139-L143 WeakPolarHBondContact O-CB 3.18Å; L139-L143 PolarHBondContact O-N 3.48Å; A140-L143 PolarHBondContact O-N 3.49Å; D141-L143 PolarHBondContact O-N 3.06Å; L143-M145 PolarHBondContact O-N 3.35Å; L143-Q146 PolarHBondContact O-N 2.68Å; L143-E147 HydrophobicContact CD1-CG 4.34Å; L143-E147 WeakPolarHBondContact O-CG 3.1Å; L143-E147 PolarHBondContact O-N 2.72Å; L143-N319 HydrophobicContact CD2-CB 4.31Å; L143-T323 HydrophobicContact CB-CG2 4.16Å; L143-T323 HydrophobicContact CD2-CG2 3.8Å |
| 144 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.9 | -43.4 | 179.2 | -51.8 | 0 | 0 | 0 | 0 | 111.2 | A140 D141 L142 Q146 E147 H148 L272 I312 D315 Q316 N319 | A140-T144 WeakPolarHBondContact O-CB 3.35Å; A140-T144 PolarHBondContact O-N 3.11Å; A140-T144 PolarHBondContact O-OG1 3.09Å; D141-T144 WeakPolarHBondContact O-CB 3.47Å; D141-T144 PolarHBondContact O-N 3.28Å; D141-T144 VanDerWaalsContact O-N 3.12Å; L142-T144 VanDerWaalsContact C-N 3.35Å; T144-Q146 PolarHBondContact O-N 3.17Å; T144-E147 PolarHBondContact O-N 2.95Å; T144-H148 PolarHBondContact O-CD2 3.45Å; T144-H148 PolarHBondContact O-N 2.77Å; T144-L272 HydrophobicContact CG2-CD2 4.09Å; T144-I312 HydrophobicContact CG2-CD1 3.9Å; T144-I312 HydrophobicContact CG2-CG1 4.44Å; T144-D315 HydrophobicContact CG2-CB 4.32Å; T144-Q316 HydrophobicContact CG2-CB 4.13Å; T144-Q316 WeakPolarHBondContact OG1-CA 3.3Å; T144-N319 PolarHBondContact OG1-ND2 3.43Å |
| 145 | M | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61 | -43.7 | 175.8 | -71.4 | 166.8 | 23.9 | 0 | 0 | 111.9 | D141 L142 L143 E147 H148 L149 F154 M157 L159 L182 F228 L272 | D141-M145 VanDerWaalsContact O-CG 3.3Å; D141-M145 WeakPolarHBondContact O-CG 3.17Å; D141-M145 PolarHBondContact O-N 3.36Å; L142-M145 HydrophobicContact CD2-CE 3.86Å; L142-M145 PolarHBondContact O-N 2.95Å; L143-M145 PolarHBondContact O-N 3.35Å; M145-E147 VanDerWaalsContact C-N 3.32Å; M145-E147 PolarHBondContact O-N 3.42Å; M145-H148 PolarHBondContact O-N 2.65Å; M145-L149 PolarHBondContact O-N 3.2Å; M145-F154 HydrophobicContact CE-CD1 3.85Å; M145-F154 HydrophobicContact CE-CE1 3.92Å; M145-M157 HydrophobicContact CB-SD 4.25Å; M145-M157 HydrophobicContact CE-SD 4.05Å; M145-L159 HydrophobicContact SD-CD1 4.47Å; M145-L159 HydrophobicContact SD-CD2 4.24Å; M145-L182 HydrophobicContact CE-CD1 4.06Å; M145-L182 HydrophobicContact CE-CD2 3.63Å; M145-L182 HydrophobicContact CE-CG 4.46Å; M145-F228 HydrophobicContact CB-CD2 4.37Å; M145-F228 HydrophobicContact CB-CE1 4.46Å; M145-F228 HydrophobicContact CB-CE2 3.7Å; M145-F228 HydrophobicContact CB-CZ 3.78Å; M145-F228 HydrophobicContact CG-CD1 4.2Å; M145-F228 HydrophobicContact CG-CD2 3.75Å; M145-F228 HydrophobicContact CG-CE1 4.07Å; M145-F228 HydrophobicContact CG-CE2 3.57Å; M145-F228 HydrophobicContact CG-CG 4.07Å; M145-F228 HydrophobicContact CG-CZ 3.76Å; M145-F228 HydrophobicContact SD-CD2 4.35Å; M145-L272 HydrophobicContact CG-CD1 4.03Å; M145-L272 HydrophobicContact SD-CD1 4.45Å |
| 146 | Q | 98.7 | Very high | 98.6 | Very high | 57 Ų | 57 | 36.2 Ų | 36.2 | 27% | 0.266 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.9 | -39.1 | 175.3 | -75.5 | -177.9 | -33.4 | 0 | 0 | 112.6 | L142 L143 T144 L149 F154 | L142-Q146 WeakPolarHBondContact O-CG 3.43Å; L142-Q146 PolarHBondContact O-N 3.06Å; L143-Q146 PolarHBondContact O-N 2.68Å; T144-Q146 PolarHBondContact O-N 3.17Å; Q146-L149 CarbonylContact O-C 3.16Å; Q146-F154 HydrophobicContact CG-CE1 3.59Å; Q146-F154 HydrophobicContact CG-CE2 4.24Å; Q146-F154 HydrophobicContact CG-CZ 3.42Å; Q146-F154 VanDerWaalsContact CG-CZ 3.42Å |
| 147 | E | 98.8 | Very high | 98.6 | Very high | 71 Ų | 71 | 36.2 Ų | 36.2 | 33% | 0.332 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -69.3 | -33.6 | 179 | -72.4 | 177.7 | 150.4 | 0 | 0 | 112.5 | K31 L143 T144 M145 N319 | K31-E147 WeakPolarHBondContact CD-OE1 3.38Å; K31-E147 WeakPolarHBondContact CE-OE1 3.41Å; K31-E147 IonicContact NZ-OE1 3.66Å; K31-E147 PolarHBondContact NZ-OE1 3.1Å; K31-E147 IonicContact NZ-OE2 2.89Å; K31-E147 PolarHBondContact NZ-OE2 3.12Å; L143-E147 HydrophobicContact CD1-CG 4.34Å; L143-E147 WeakPolarHBondContact O-CG 3.1Å; L143-E147 PolarHBondContact O-N 2.72Å; T144-E147 PolarHBondContact O-N 2.95Å; M145-E147 VanDerWaalsContact C-N 3.32Å; M145-E147 PolarHBondContact O-N 3.42Å; E147-N319 PolarHBondContact OE2-ND2 3.16Å |
| 148 | H | 98.8 | Very high | 98.6 | Very high | 56 Ų | 56 | 37.1 Ų | 37.1 | 26% | 0.259 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -88.6 | -13.4 | -180 | -81.9 | -90.4 | 0 | 0 | 0 | 114.2 | T144 M145 F228 I312 D315 | T144-H148 PolarHBondContact O-CD2 3.45Å; T144-H148 PolarHBondContact O-N 2.77Å; M145-H148 PolarHBondContact O-N 2.65Å; H148-F228 HydrophobicContact CB-CE1 4.18Å; H148-F228 HydrophobicContact CB-CZ 4.24Å; H148-I312 HydrophobicContact CB-CD1 4.26Å; H148-I312 WeakPolarHBondContact CE1-CG2 3.25Å; H148-D315 IonicContact CE1-OD2 2.98Å; H148-D315 PolarHBondContact CE1-OD2 3.45Å; H148-D315 IonicContact NE2-OD2 3.38Å; H148-D315 PolarHBondContact NE2-OD2 3.21Å |
| 149 | L | 98.6 | Very high | 98.6 | Very high | 36 Ų | 36 | 37.2 Ų | 37.2 | 19% | 0.188 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -129 | 65.7 | 170.5 | -67.1 | 175.1 | 0 | 0 | 0 | 111 | M145 Q146 G151 K152 M157 D227 F228 | M145-L149 PolarHBondContact O-N 3.2Å; Q146-L149 CarbonylContact O-C 3.16Å; L149-G151 PolarHBondContact O-N 3.03Å; L149-K152 HydrophobicContact CB-CB 4.29Å; L149-K152 HydrophobicContact CB-CD 4.19Å; L149-K152 HydrophobicContact CB-CG 4.42Å; L149-K152 HydrophobicContact CD1-CD 4.09Å; L149-K152 HydrophobicContact CD2-CD 4.48Å; L149-K152 PolarHBondContact O-N 3.44Å; L149-M157 HydrophobicContact CB-CE 4.04Å; L149-M157 HydrophobicContact CD1-CE 4.47Å; L149-M157 HydrophobicContact CD1-CG 3.88Å; L149-M157 HydrophobicContact CD1-SD 4.18Å; L149-D227 HydrophobicContact CD1-CB 3.68Å; L149-F228 HydrophobicContact CD1-CD2 4.42Å; L149-F228 HydrophobicContact CD1-CE2 3.4Å; L149-F228 VanDerWaalsContact CD1-CE2 3.4Å; L149-F228 HydrophobicContact CD1-CZ 3.75Å; L149-F228 HydrophobicContact CG-CE2 4.1Å; L149-F228 HydrophobicContact CG-CZ 3.91Å |
| 150 | P | 98.1 | Very high | 98.7 | Very high | 108 Ų | 108 | 37 Ų | 37 | 70% | 0.701 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | 130.6 | -174.1 | 25.5 | -34.9 | 0 | 0 | 0 | 111.5 | K152 | P150-K152 VanDerWaalsContact C-N 3.33Å; P150-K152 PolarHBondContact O-N 2.99Å |
| 151 | G | 97.1 | Very high | 98.7 | Very high | 86 Ų | 86 | 37 Ų | 37 | 89% | 0.887 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87.6 | -12.1 | 177 | 0 | 0 | 0 | 0 | 0 | 115.4 | L149 | L149-G151 PolarHBondContact O-N 3.03Š|
| 152 | K | 98.2 | Very high | 98.7 | Very high | 79 Ų | 79 | 36.9 Ų | 36.9 | 34% | 0.343 | 22% | 0.216 | S | C | . | . | trans | -77.3 | 137 | 168.8 | -74.8 | -163.9 | 178.5 | -173 | 0 | 110.5 | L149 P150 E156 M157 D227 | L149-K152 HydrophobicContact CB-CB 4.29Å; L149-K152 HydrophobicContact CB-CD 4.19Å; L149-K152 HydrophobicContact CB-CG 4.42Å; L149-K152 HydrophobicContact CD1-CD 4.09Å; L149-K152 HydrophobicContact CD2-CD 4.48Å; L149-K152 PolarHBondContact O-N 3.44Å; P150-K152 VanDerWaalsContact C-N 3.33Å; P150-K152 PolarHBondContact O-N 2.99Å; K152-E156 HydrophobicContact CB-CB 4.42Å; K152-E156 HydrophobicContact CD-CB 4.4Å; K152-M157 HydrophobicContact CB-CE 3.74Å; K152-M157 HydrophobicContact CB-CG 4.44Å; K152-M157 HydrophobicContact CD-CG 4.46Å; K152-M157 VanDerWaalsContact O-CE 3.28Å; K152-M157 WeakPolarHBondContact O-CE 3.3Å; K152-D227 IonicContact NZ-OD1 2.74Å; K152-D227 PolarHBondContact NZ-OD1 2.74Å; K152-D227 IonicContact NZ-OD2 2.75Å | ||
| 153 | A | 98.4 | Very high | 98.6 | Very high | 46 Ų | 46 | 36.8 Ų | 36.8 | 38% | 0.38 | 22% | 0.216 | S | C | . | . | trans | -74.2 | 158.3 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | N155 E156 | A153-N155 VanDerWaalsContact CB-OD1 3.25Å; A153-N155 WeakPolarHBondContact CB-OD1 3.24Å; A153-N155 PolarHBondContact O-N 3.18Å; A153-E156 HydrophobicContact CB-CG 4.42Å; A153-E156 WeakPolarHBondContact CB-OE2 3.39Å; A153-E156 PolarHBondContact N-OE2 2.92Å; A153-E156 WeakPolarHBondContact O-CB 3.27Å; A153-E156 PolarHBondContact O-N 3.28Å | ||
| 154 | F | 98.8 | Very high | 98.5 | Very high | 12 Ų | 12 | 36.7 Ų | 36.7 | 5% | 0.053 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -61.3 | -31 | -179.9 | -71.2 | -60.5 | 0 | 0 | 0 | 113.5 | L24 L142 M145 Q146 E156 M157 T180 L182 | L24-F154 HydrophobicContact CD1-CE2 3.72Å; L24-F154 HydrophobicContact CD1-CZ 3.67Å; L142-F154 HydrophobicContact CB-CE1 4.02Å; L142-F154 HydrophobicContact CB-CZ 3.8Å; L142-F154 HydrophobicContact CD2-CD1 4.03Å; L142-F154 HydrophobicContact CD2-CE1 3.61Å; L142-F154 HydrophobicContact CD2-CZ 3.93Å; L142-F154 HydrophobicContact CG-CE1 4.41Å; L142-F154 HydrophobicContact CG-CZ 4.36Å; M145-F154 HydrophobicContact CE-CD1 3.85Å; M145-F154 HydrophobicContact CE-CE1 3.92Å; Q146-F154 HydrophobicContact CG-CE1 3.59Å; Q146-F154 HydrophobicContact CG-CE2 4.24Å; Q146-F154 HydrophobicContact CG-CZ 3.42Å; Q146-F154 VanDerWaalsContact CG-CZ 3.42Å; F154-E156 PolarHBondContact O-N 3.44Å; F154-M157 HydrophobicContact CD1-CE 4.32Å; F154-M157 HydrophobicContact CD1-SD 3.84Å; F154-M157 HydrophobicContact CE1-SD 4.43Å; F154-M157 WeakPolarHBondContact O-CB 3.28Å; F154-M157 PolarHBondContact O-N 3.35Å; F154-M157 VanDerWaalsContact O-N 3.09Å; F154-T180 HydrophobicContact CB-CG2 4.43Å; F154-T180 HydrophobicContact CD2-CG2 3.68Å; F154-T180 HydrophobicContact CE2-CG2 4.06Å; F154-T180 HydrophobicContact CG-CG2 4.08Å; F154-L182 HydrophobicContact CB-CD2 4.28Å; F154-L182 HydrophobicContact CB-CG 4.26Å; F154-L182 HydrophobicContact CD1-CD2 4.39Å; F154-L182 WeakPolarHBondContact O-CD2 3.13Å |
| 155 | N | 98.5 | Very high | 98.5 | Very high | 80 Ų | 80 | 36.7 Ų | 36.7 | 43% | 0.428 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -75.3 | 1.4 | 175.3 | 61.4 | 0.5 | 0 | 0 | 0 | 114.7 | A153 G181 N209 | A153-N155 VanDerWaalsContact CB-OD1 3.25Å; A153-N155 WeakPolarHBondContact CB-OD1 3.24Å; A153-N155 PolarHBondContact O-N 3.18Å; N155-G181 WeakPolarHBondContact CA-O 3.34Å; N155-G181 WeakPolarHBondContact CB-O 3.35Å; N155-N209 PolarHBondContact ND2-O 3.33Å |
| 156 | E | 98.8 | Very high | 98.3 | Very high | 114 Ų | 114 | 41.4 Ų | 41.4 | 53% | 0.533 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -106 | 9.1 | 169 | -56.5 | 175.3 | 93.7 | 0 | 0 | 112 | K152 A153 F154 | K152-E156 HydrophobicContact CB-CB 4.42Å; K152-E156 HydrophobicContact CD-CB 4.4Å; A153-E156 HydrophobicContact CB-CG 4.42Å; A153-E156 WeakPolarHBondContact CB-OE2 3.39Å; A153-E156 PolarHBondContact N-OE2 2.92Å; A153-E156 WeakPolarHBondContact O-CB 3.27Å; A153-E156 PolarHBondContact O-N 3.28Å; F154-E156 PolarHBondContact O-N 3.44Å |
| 157 | M | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | trans | -115.6 | 136.4 | -179 | -55.4 | 176.7 | -170.4 | 0 | 0 | 111.1 | M145 L149 K152 F154 L182 D183 D227 F228 | M145-M157 HydrophobicContact CB-SD 4.25Å; M145-M157 HydrophobicContact CE-SD 4.05Å; L149-M157 HydrophobicContact CB-CE 4.04Å; L149-M157 HydrophobicContact CD1-CE 4.47Å; L149-M157 HydrophobicContact CD1-CG 3.88Å; L149-M157 HydrophobicContact CD1-SD 4.18Å; K152-M157 HydrophobicContact CB-CE 3.74Å; K152-M157 HydrophobicContact CB-CG 4.44Å; K152-M157 HydrophobicContact CD-CG 4.46Å; K152-M157 VanDerWaalsContact O-CE 3.28Å; K152-M157 WeakPolarHBondContact O-CE 3.3Å; F154-M157 HydrophobicContact CD1-CE 4.32Å; F154-M157 HydrophobicContact CD1-SD 3.84Å; F154-M157 HydrophobicContact CE1-SD 4.43Å; F154-M157 WeakPolarHBondContact O-CB 3.28Å; F154-M157 PolarHBondContact O-N 3.35Å; F154-M157 VanDerWaalsContact O-N 3.09Å; M157-L182 HydrophobicContact CB-CD2 3.83Å; M157-D183 PolarHBondContact O-N 2.9Å; M157-D183 VanDerWaalsContact O-N 3.17Å; M157-D227 VanDerWaalsContact CA-OD2 3.32Å; M157-D227 WeakPolarHBondContact CA-OD2 2.95Å; M157-F228 HydrophobicContact SD-CE2 4.39Å | ||
| 158 | T | 98.9 | Very high | 97.9 | Very high | 19 Ų | 19 | 36.4 Ų | 36.4 | 12% | 0.117 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 120.2 | 169.2 | -64.8 | 0 | 0 | 0 | 0 | 110 | D183 R185 A226 D227 F228 | T158-D183 WeakPolarHBondContact CA-O 3.38Å; T158-D183 WeakPolarHBondContact CG2-OD2 3.29Å; T158-D183 PolarHBondContact OG1-OD2 3.23Å; T158-R185 HydrophobicContact CG2-CG 4.4Å; T158-A226 HydrophobicContact CG2-CB 4.31Å; T158-D227 PolarHBondContact N-OD2 2.65Å; T158-D227 PolarHBondContact O-N 3.49Å; T158-F228 PolarHBondContact O-N 3.16Å |
| 159 | L | 98.9 | Very high | 97.9 | Very high | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 123.2 | 175.4 | 174.1 | 64.1 | 0 | 0 | 0 | 109.8 | M145 M173 L182 D183 L184 R185 F228 | M145-L159 HydrophobicContact SD-CD1 4.47Å; M145-L159 HydrophobicContact SD-CD2 4.24Å; L159-M173 HydrophobicContact CD2-CE 4.39Å; L159-M173 HydrophobicContact CD2-SD 4.3Å; L159-L182 HydrophobicContact CB-CD2 4.45Å; L159-L182 HydrophobicContact CD2-CD1 4.37Å; L159-D183 PolarHBondContact N-O 3.09Å; L159-L184 HydrophobicContact CD2-CD1 4.24Å; L159-L184 HydrophobicContact CG-CD1 4.29Å; L159-L184 WeakPolarHBondContact O-CA 3.12Å; L159-R185 PolarHBondContact O-N 3.33Å; L159-F228 HydrophobicContact CD1-CB 3.69Å |
| 160 | V | 99 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 137.3 | 172.1 | 170.7 | 0 | 0 | 0 | 0 | 109.6 | R185 V187 V223 A226 F228 I229 Y230 | V160-R185 CarbonylContact C-O 3.56Å; V160-R185 WeakPolarHBondContact CA-O 3.32Å; V160-R185 HydrophobicContact CG2-CB 4.12Å; V160-V187 HydrophobicContact CG1-CB 4.34Å; V160-V187 HydrophobicContact CG1-CG2 3.81Å; V160-V223 HydrophobicContact CG1-CG1 4.05Å; V160-A226 HydrophobicContact CB-CB 4.41Å; V160-A226 HydrophobicContact CG2-CB 3.56Å; V160-F228 PolarHBondContact N-O 2.98Å; V160-I229 HydrophobicContact CB-CG1 4.22Å; V160-I229 HydrophobicContact CG1-CG1 4.44Å; V160-Y230 WeakPolarHBondContact O-CB 3.36Å; V160-Y230 PolarHBondContact O-N 3.45Å |
| 161 | Y | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 115 | 163.7 | -179.2 | -88.7 | 0 | 0 | 0 | 109.8 | D164 A165 N167 M169 M173 R185 L186 V187 Y230 D232 | Y161-D164 VanDerWaalsContact CE1-O 3.29Å; Y161-D164 WeakPolarHBondContact CE1-O 3.38Å; Y161-D164 PolarHBondContact OH-O 2.96Å; Y161-A165 HydrophobicContact CD1-CB 3.91Å; Y161-A165 VanDerWaalsContact CE1-CA 3.46Å; Y161-A165 HydrophobicContact CE1-CB 3.95Å; Y161-N167 PolarHBondContact OH-ND2 2.88Å; Y161-N167 PolarHBondContact OH-OD1 2.94Å; Y161-M169 HydrophobicContact CE2-CB 4.08Å; Y161-M173 WeakPolarHBondContact CB-SD 3.24Å; Y161-M173 HydrophobicContact CD2-CE 3.45Å; Y161-M173 VanDerWaalsContact CD2-CE 3.45Å; Y161-M173 HydrophobicContact CD2-SD 3.44Å; Y161-M173 WeakPolarHBondContact CD2-SD 3.26Å; Y161-M173 HydrophobicContact CE2-CE 4.22Å; Y161-M173 HydrophobicContact CE2-SD 4.41Å; Y161-M173 HydrophobicContact CG-CE 4.25Å; Y161-M173 HydrophobicContact CG-SD 3.67Å; Y161-R185 PolarHBondContact N-O 3.22Å; Y161-L186 HydrophobicContact CD1-CD2 4.29Å; Y161-L186 HydrophobicContact CG-CD2 4.33Å; Y161-V187 PolarHBondContact O-N 3.19Å; Y161-Y230 CarbonylContact C-O 3.43Å; Y161-Y230 WeakPolarHBondContact CA-O 3.19Å; Y161-Y230 AromaticContact CD2-CD1 3.67Å; Y161-Y230 HydrophobicContact CD2-CD1 3.67Å; Y161-Y230 HydrophobicContact CD2-CE1 4.46Å; Y161-Y230 HydrophobicContact CD2-CG 4.29Å; Y161-Y230 AromaticContact CE2-CD1 3.87Å; Y161-Y230 HydrophobicContact CE2-CD1 3.87Å; Y161-Y230 HydrophobicContact CE2-CE1 4.29Å; Y161-D232 HydrophobicContact CE2-CB 4.32Å |
| 162 | A | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 145.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | V187 Y230 T231 V256 M260 | A162-V187 WeakPolarHBondContact CA-O 3.42Å; A162-Y230 PolarHBondContact N-O 3.22Å; A162-T231 PolarHBondContact O-OG1 3.23Å; A162-T231 VanDerWaalsContact O-OG1 3.1Å; A162-V256 HydrophobicContact CB-CG2 4.02Å; A162-M260 HydrophobicContact CB-CE 4.24Å; A162-M260 HydrophobicContact CB-SD 4.05Å |
| 163 | G | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | S | Bend | trans | 103.6 | -134.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | A165 V187 A188 L251 | G163-A165 PolarHBondContact O-N 3.44Å; G163-A165 VanDerWaalsContact O-N 3.09Å; G163-V187 PolarHBondContact N-O 3.24Å; G163-A188 WeakPolarHBondContact O-CB 3.42Å; G163-L251 VanDerWaalsContact C-CD2 3.43Å; G163-L251 WeakPolarHBondContact O-CD2 3.48Å |
| 164 | D | 96.9 | Very high | 98 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | -80.3 | 88.5 | -174.8 | -176.7 | 31.5 | 0 | 0 | 0 | 111.9 | Y161 R166 N167 R247 L251 | Y161-D164 VanDerWaalsContact CE1-O 3.29Å; Y161-D164 WeakPolarHBondContact CE1-O 3.38Å; Y161-D164 PolarHBondContact OH-O 2.96Å; D164-R166 VanDerWaalsContact C-N 3.27Å; D164-R166 PolarHBondContact O-N 2.87Å; D164-R166 WeakPolarHBondContact OD1-CG 3.41Å; D164-R166 IonicContact OD1-NE 3.81Å; D164-N167 VanDerWaalsContact O-CG 3.26Å; D164-N167 PolarHBondContact O-ND2 2.82Å; D164-N167 PolarHBondContact O-OD1 3.23Å; D164-R247 IonicContact OD1-CZ 3.44Å; D164-R247 IonicContact OD1-NH1 3.83Å; D164-R247 PolarHBondContact OD1-NH1 3.29Å; D164-R247 IonicContact OD2-NH1 2.82Å; D164-R247 PolarHBondContact OD2-NH1 2.92Å; D164-L251 HydrophobicContact CB-CD1 3.93Å | ||
| 165 | A | 97.9 | Very high | 98 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -0 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y161 G163 G170 L186 A188 C192 P194 | Y161-A165 HydrophobicContact CD1-CB 3.91Å; Y161-A165 VanDerWaalsContact CE1-CA 3.46Å; Y161-A165 HydrophobicContact CE1-CB 3.95Å; G163-A165 PolarHBondContact O-N 3.44Å; G163-A165 VanDerWaalsContact O-N 3.09Å; A165-G170 WeakPolarHBondContact O-CA 3.48Å; A165-L186 HydrophobicContact CB-CB 4.11Å; A165-L186 HydrophobicContact CB-CD1 4.29Å; A165-A188 HydrophobicContact CB-CB 3.72Å; A165-C192 CarbonylContact C-O 3.55Å; A165-C192 WeakPolarHBondContact CA-O 3.22Å; A165-C192 WeakPolarHBondContact CB-O 3.39Å; A165-C192 PolarHBondContact N-O 3.38Å; A165-C192 VanDerWaalsContact N-O 3.14Å; A165-P194 WeakPolarHBondContact O-CB 3.28Å; A165-P194 VanDerWaalsContact O-CD 3.24Å; A165-P194 WeakPolarHBondContact O-CD 3.33Å; A165-P194 WeakPolarHBondContact O-CG 3.17Å |
| 166 | R | 95.4 | Very high | 98 | Very high | 100 Ų | 100 | 13.6 Ų | 13.6 | 38% | 0.377 | 6% | 0.062 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -3.9 | 179.6 | 62 | 145.1 | -136.4 | 147.4 | -0.2 | 114.1 | D164 C192 W193 E239 | D164-R166 VanDerWaalsContact C-N 3.27Å; D164-R166 PolarHBondContact O-N 2.87Å; D164-R166 WeakPolarHBondContact OD1-CG 3.41Å; D164-R166 IonicContact OD1-NE 3.81Å; R166-C192 WeakPolarHBondContact CB-O 3.23Å; R166-C192 HydrophobicContact CG-CB 4.48Å; R166-C192 PolarHBondContact N-O 3.41Å; R166-W193 WeakPolarHBondContact CB-O 3.38Å; R166-E239 IonicContact NH2-OE1 2.79Å; R166-E239 PolarHBondContact NH2-OE1 3.14Å |
| 167 | N | 94 | Very high | 98 | Very high | 9 Ų | 9 | 8.2 Ų | 8.2 | 5% | 0.048 | 4% | 0.037 | C | C | . | . | S | Bend | trans | -75.4 | -178.8 | 178.6 | 70.4 | 8.7 | 0 | 0 | 0 | 110.9 | Y161 D164 M169 G170 N171 | Y161-N167 PolarHBondContact OH-ND2 2.88Å; Y161-N167 PolarHBondContact OH-OD1 2.94Å; D164-N167 VanDerWaalsContact O-CG 3.26Å; D164-N167 PolarHBondContact O-ND2 2.82Å; D164-N167 PolarHBondContact O-OD1 3.23Å; N167-M169 VanDerWaalsContact C-N 3.26Å; N167-M169 PolarHBondContact O-N 3.15Å; N167-M169 WeakPolarHBondContact OD1-CB 3.08Å; N167-M169 PolarHBondContact OD1-N 3.32Å; N167-G170 PolarHBondContact O-N 3.37Å; N167-G170 PolarHBondContact OD1-N 2.91Å; N167-N171 PolarHBondContact O-N 3.2Å; N167-N171 VanDerWaalsContact O-N 3.13Å |
| 168 | N | 95.3 | Very high | 98 | Very high | 15 Ų | 15 | 8.2 Ų | 8.2 | 8% | 0.08 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -57.5 | -35.2 | 177.7 | 49.5 | 12.6 | 0 | 0 | 0 | 114 | L129 T130 N131 E132 S172 | L129-N168 WeakPolarHBondContact CG-ND2 3.45Å; T130-N168 WeakPolarHBondContact O-CB 3.44Å; T130-N168 PolarHBondContact O-ND2 3.45Å; N131-N168 WeakPolarHBondContact O-CB 3.44Å; E132-N168 WeakPolarHBondContact O-CA 3.29Å; N168-S172 VanDerWaalsContact O-CB 3.3Å; N168-S172 WeakPolarHBondContact O-CB 3.4Å; N168-S172 PolarHBondContact O-N 3.08Å; N168-S172 PolarHBondContact O-OG 3.33Å |
| 169 | M | 97.7 | Very high | 98 | Very high | 1 Ų | 1 | 7.8 Ų | 7.8 | 1% | 0.005 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -66.6 | -47.3 | 177.3 | -72.8 | -57.8 | -52.7 | 0 | 0 | 111.4 | H134 Q137 L138 Y161 N167 N171 S172 M173 Y230 C274 | H134-M169 HydrophobicContact CB-SD 3.95Å; Q137-M169 HydrophobicContact CB-CE 4.44Å; Q137-M169 HydrophobicContact CB-SD 4.05Å; Q137-M169 HydrophobicContact CG-CE 3.71Å; Q137-M169 HydrophobicContact CG-SD 3.69Å; L138-M169 HydrophobicContact CD2-CE 3.53Å; L138-M169 HydrophobicContact CD2-SD 4.09Å; Y161-M169 HydrophobicContact CE2-CB 4.08Å; N167-M169 VanDerWaalsContact C-N 3.26Å; N167-M169 PolarHBondContact O-N 3.15Å; N167-M169 WeakPolarHBondContact OD1-CB 3.08Å; N167-M169 PolarHBondContact OD1-N 3.32Å; M169-N171 PolarHBondContact O-N 2.95Å; M169-S172 PolarHBondContact O-N 3.18Å; M169-S172 VanDerWaalsContact O-N 3.16Å; M169-M173 HydrophobicContact CE-CE 4.3Å; M169-M173 WeakPolarHBondContact O-CG 3.36Å; M169-M173 PolarHBondContact O-N 3.49Å; M169-Y230 HydrophobicContact CE-CE1 3.97Å; M169-Y230 HydrophobicContact CE-CE2 4.38Å; M169-Y230 VanDerWaalsContact CE-OH 3.26Å; M169-Y230 WeakPolarHBondContact CE-OH 3.22Å; M169-C274 HydrophobicContact SD-CB 4.48Å |
| 170 | G | 97.8 | Very high | 98 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -58.5 | -45.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A165 N167 S172 M173 L174 | A165-G170 WeakPolarHBondContact O-CA 3.48Å; N167-G170 PolarHBondContact O-N 3.37Å; N167-G170 PolarHBondContact OD1-N 2.91Å; G170-S172 PolarHBondContact O-N 3.04Å; G170-M173 PolarHBondContact O-N 3.46Å; G170-L174 PolarHBondContact O-N 3.46Å; G170-L174 VanDerWaalsContact O-N 3.16Å |
| 171 | N | 98.4 | Very high | 98 | Very high | 21 Ų | 21 | 8.1 Ų | 8.1 | 11% | 0.112 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -60.9 | -42.9 | 174.3 | -69.8 | -19.5 | 0 | 0 | 0 | 112.4 | E132 F133 N167 M169 M173 L174 E175 P194 L198 | E132-N171 WeakPolarHBondContact O-CB 3.44Å; E132-N171 PolarHBondContact O-ND2 3.42Å; F133-N171 HydrophobicContact CD1-CB 4.15Å; F133-N171 HydrophobicContact CE1-CB 4.01Å; N167-N171 PolarHBondContact O-N 3.2Å; N167-N171 VanDerWaalsContact O-N 3.13Å; M169-N171 PolarHBondContact O-N 2.95Å; N171-M173 VanDerWaalsContact C-N 3.3Å; N171-M173 PolarHBondContact O-N 3.02Å; N171-L174 WeakPolarHBondContact O-CB 3.46Å; N171-L174 PolarHBondContact O-N 3.45Å; N171-E175 PolarHBondContact O-N 3.19Å; N171-P194 WeakPolarHBondContact OD1-CB 3.45Å; N171-L198 HydrophobicContact CB-CD2 3.91Å |
| 172 | S | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -69.5 | -29.3 | -179.7 | -55.1 | 0 | 0 | 0 | 0 | 112.4 | F133 H134 N168 M169 G170 E175 A176 | F133-S172 WeakPolarHBondContact CA-OG 3.45Å; H134-S172 PolarHBondContact N-OG 2.79Å; N168-S172 VanDerWaalsContact O-CB 3.3Å; N168-S172 WeakPolarHBondContact O-CB 3.4Å; N168-S172 PolarHBondContact O-N 3.08Å; N168-S172 PolarHBondContact O-OG 3.33Å; M169-S172 PolarHBondContact O-N 3.18Å; M169-S172 VanDerWaalsContact O-N 3.16Å; G170-S172 PolarHBondContact O-N 3.04Å; S172-E175 PolarHBondContact O-N 2.83Å; S172-A176 WeakPolarHBondContact O-CB 3.41Å; S172-A176 PolarHBondContact O-N 3.35Å |
| 173 | M | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 10 Ų | 10 | 1% | 0.005 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -67.6 | -38.5 | 171.6 | -74.5 | -171.4 | 177.6 | 0 | 0 | 112.4 | L138 L159 Y161 M169 G170 N171 E175 A176 A177 L184 Y230 | L138-M173 HydrophobicContact CD1-CG 3.92Å; L159-M173 HydrophobicContact CD2-CE 4.39Å; L159-M173 HydrophobicContact CD2-SD 4.3Å; Y161-M173 WeakPolarHBondContact CB-SD 3.24Å; Y161-M173 HydrophobicContact CD2-CE 3.45Å; Y161-M173 VanDerWaalsContact CD2-CE 3.45Å; Y161-M173 HydrophobicContact CD2-SD 3.44Å; Y161-M173 WeakPolarHBondContact CD2-SD 3.26Å; Y161-M173 HydrophobicContact CE2-CE 4.22Å; Y161-M173 HydrophobicContact CE2-SD 4.41Å; Y161-M173 HydrophobicContact CG-CE 4.25Å; Y161-M173 HydrophobicContact CG-SD 3.67Å; M169-M173 HydrophobicContact CE-CE 4.3Å; M169-M173 WeakPolarHBondContact O-CG 3.36Å; M169-M173 PolarHBondContact O-N 3.49Å; G170-M173 PolarHBondContact O-N 3.46Å; N171-M173 VanDerWaalsContact C-N 3.3Å; N171-M173 PolarHBondContact O-N 3.02Å; M173-E175 VanDerWaalsContact C-N 3.3Å; M173-E175 PolarHBondContact O-N 2.92Å; M173-A176 PolarHBondContact O-N 2.94Å; M173-A177 PolarHBondContact O-N 3.32Å; M173-L184 HydrophobicContact CB-CD1 4.01Å; M173-L184 HydrophobicContact CB-CD2 4.02Å; M173-L184 WeakPolarHBondContact O-CD2 3.49Å; M173-L184 HydrophobicContact SD-CD1 4.26Å; M173-Y230 HydrophobicContact CE-CD1 3.53Å; M173-Y230 HydrophobicContact CE-CD2 3.53Å; M173-Y230 HydrophobicContact CE-CE1 3.99Å; M173-Y230 HydrophobicContact CE-CE2 3.94Å; M173-Y230 HydrophobicContact CE-CG 3.34Å |
| 174 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -56.6 | -47.4 | 171.5 | -64 | 175 | 0 | 0 | 0 | 110.6 | G170 N171 A176 A177 A178 L184 L186 P194 L198 V199 C202 I213 | G170-L174 PolarHBondContact O-N 3.46Å; G170-L174 VanDerWaalsContact O-N 3.16Å; N171-L174 WeakPolarHBondContact O-CB 3.46Å; N171-L174 PolarHBondContact O-N 3.45Å; L174-A176 VanDerWaalsContact C-N 3.34Å; L174-A176 PolarHBondContact O-N 3.19Å; L174-A177 PolarHBondContact O-N 3.26Å; L174-A178 WeakPolarHBondContact O-CB 3.42Å; L174-A178 PolarHBondContact O-N 3.15Å; L174-L184 HydrophobicContact CD2-CD2 4.1Å; L174-L186 HydrophobicContact CD2-CD1 3.84Å; L174-L186 HydrophobicContact CG-CD1 4.38Å; L174-P194 HydrophobicContact CD1-CB 3.91Å; L174-P194 HydrophobicContact CD1-CG 3.75Å; L174-P194 HydrophobicContact CG-CG 4.4Å; L174-L198 HydrophobicContact CD1-CB 4.4Å; L174-L198 HydrophobicContact CD1-CD2 3.87Å; L174-L198 HydrophobicContact CD1-CG 3.82Å; L174-V199 HydrophobicContact CD1-CG2 3.77Å; L174-V199 HydrophobicContact CD2-CG2 4.21Å; L174-C202 HydrophobicContact CB-CB 3.82Å; L174-C202 WeakPolarHBondContact O-CB 3.46Å; L174-I213 HydrophobicContact CD2-CD1 3.84Å; L174-I213 HydrophobicContact CD2-CG2 3.62Å |
| 175 | E | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -63.3 | -39.3 | 176.8 | -57.3 | -164.7 | 116.2 | 0 | 0 | 112.2 | L12 L13 F133 N171 S172 M173 A178 L179 | L12-E175 HydrophobicContact CB-CB 3.78Å; L12-E175 WeakPolarHBondContact CB-OE2 3.43Å; L12-E175 HydrophobicContact CD1-CB 4.24Å; L12-E175 PolarHBondContact N-OE2 3.18Å; L13-E175 WeakPolarHBondContact CB-OE1 3.32Å; L13-E175 HydrophobicContact CD1-CG 3.91Å; L13-E175 HydrophobicContact CG-CB 3.99Å; L13-E175 HydrophobicContact CG-CG 3.77Å; L13-E175 VanDerWaalsContact CG-OE1 3.29Å; L13-E175 WeakPolarHBondContact CG-OE1 3.25Å; L13-E175 PolarHBondContact N-OE1 3.27Å; L13-E175 VanDerWaalsContact N-OE1 3.15Å; F133-E175 HydrophobicContact CD1-CG 4.31Å; F133-E175 WeakPolarHBondContact CD1-OE2 3.49Å; F133-E175 HydrophobicContact CE1-CG 3.94Å; N171-E175 PolarHBondContact O-N 3.19Å; S172-E175 PolarHBondContact O-N 2.83Å; M173-E175 VanDerWaalsContact C-N 3.3Å; M173-E175 PolarHBondContact O-N 2.92Å; E175-A178 WeakPolarHBondContact O-CB 3.37Å; E175-A178 PolarHBondContact O-N 3.41Å; E175-L179 WeakPolarHBondContact O-CG 3.4Å; E175-L179 PolarHBondContact O-N 3.21Å; E175-L179 VanDerWaalsContact O-N 3.15Å |
| 176 | A | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 11.9 Ų | 11.9 | 1% | 0.008 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -61.8 | -47.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | L12 L138 L142 S172 M173 L174 A178 L179 T180 | L12-A176 HydrophobicContact CD1-CB 4.14Å; L138-A176 HydrophobicContact CD1-CB 3.96Å; L138-A176 HydrophobicContact CG-CB 4.45Å; L142-A176 HydrophobicContact CD1-CB 4.47Å; S172-A176 WeakPolarHBondContact O-CB 3.41Å; S172-A176 PolarHBondContact O-N 3.35Å; M173-A176 PolarHBondContact O-N 2.94Å; L174-A176 VanDerWaalsContact C-N 3.34Å; L174-A176 PolarHBondContact O-N 3.19Å; A176-A178 VanDerWaalsContact C-N 3.32Å; A176-A178 PolarHBondContact O-N 2.9Å; A176-L179 PolarHBondContact O-N 3.3Å; A176-T180 WeakPolarHBondContact O-CB 3.46Å; A176-T180 WeakPolarHBondContact O-CG2 3.49Å; A176-T180 PolarHBondContact O-N 2.93Å; A176-T180 PolarHBondContact O-OG1 3.4Å |
| 177 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -61.9 | -40.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | M173 L174 L179 T180 G181 L182 L184 A206 I213 | M173-A177 PolarHBondContact O-N 3.32Å; L174-A177 PolarHBondContact O-N 3.26Å; A177-L179 PolarHBondContact O-N 2.81Å; A177-T180 PolarHBondContact O-N 2.9Å; A177-G181 PolarHBondContact O-N 3.48Å; A177-L182 HydrophobicContact CB-CB 4.27Å; A177-L184 HydrophobicContact CB-CB 3.74Å; A177-L184 HydrophobicContact CB-CD2 3.85Å; A177-L184 HydrophobicContact CB-CG 4.44Å; A177-A206 HydrophobicContact CB-CB 4.34Å; A177-A206 WeakPolarHBondContact O-CA 3.43Å; A177-A206 WeakPolarHBondContact O-CB 3.36Å; A177-I213 HydrophobicContact CB-CD1 4.02Å; A177-I213 HydrophobicContact CB-CG1 4.01Å |
| 178 | A | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 6.7 Ų | 6.7 | 1% | 0.008 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -56.7 | -36.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L13 L174 E175 A176 C202 L205 N209 | L13-A178 HydrophobicContact CD2-CB 3.9Å; L174-A178 WeakPolarHBondContact O-CB 3.42Å; L174-A178 PolarHBondContact O-N 3.15Å; E175-A178 WeakPolarHBondContact O-CB 3.37Å; E175-A178 PolarHBondContact O-N 3.41Å; A176-A178 VanDerWaalsContact C-N 3.32Å; A176-A178 PolarHBondContact O-N 2.9Å; A178-C202 HydrophobicContact CB-CB 4Å; A178-L205 HydrophobicContact CB-CB 3.72Å; A178-L205 HydrophobicContact CB-CD1 4.11Å; A178-L205 CarbonylContact O-C 3.56Å; A178-N209 PolarHBondContact O-ND2 2.88Å |
| 179 | L | 98.7 | Very high | 98.7 | Very high | 10 Ų | 10 | 6.4 Ų | 6.4 | 5% | 0.052 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -95.7 | -16.7 | -176.2 | -63.7 | 179.1 | 0 | 0 | 0 | 115 | L12 L13 F15 P17 L20 E175 A176 A177 | L12-L179 HydrophobicContact CB-CD1 3.88Å; L12-L179 VanDerWaalsContact O-CD1 3.25Å; L12-L179 WeakPolarHBondContact O-CD1 3.4Å; L13-L179 HydrophobicContact CD2-CD2 4.25Å; L13-L179 HydrophobicContact CD2-CG 4.37Å; F15-L179 VanDerWaalsContact O-CD2 3.23Å; F15-L179 WeakPolarHBondContact O-CD2 3.35Å; P17-L179 VanDerWaalsContact CB-O 3.26Å; P17-L179 WeakPolarHBondContact CB-O 3.3Å; P17-L179 HydrophobicContact CG-CD2 4.38Å; P17-L179 WeakPolarHBondContact CG-O 3.47Å; L20-L179 HydrophobicContact CD2-CB 3.73Å; L20-L179 HydrophobicContact CD2-CD1 4.13Å; E175-L179 WeakPolarHBondContact O-CG 3.4Å; E175-L179 PolarHBondContact O-N 3.21Å; E175-L179 VanDerWaalsContact O-N 3.15Å; A176-L179 PolarHBondContact O-N 3.3Å; A177-L179 PolarHBondContact O-N 2.81Å |
| 180 | T | 98.8 | Very high | 98.7 | Very high | 12 Ų | 12 | 12.2 Ų | 12.2 | 7% | 0.074 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -117.7 | -18.8 | -171.9 | 60.9 | 0 | 0 | 0 | 0 | 113.7 | L20 L142 F154 A176 A177 L182 | L20-T180 HydrophobicContact CD2-CG2 3.52Å; L142-T180 HydrophobicContact CD1-CG2 4.21Å; L142-T180 HydrophobicContact CD2-CG2 4.2Å; F154-T180 HydrophobicContact CB-CG2 4.43Å; F154-T180 HydrophobicContact CD2-CG2 3.68Å; F154-T180 HydrophobicContact CE2-CG2 4.06Å; F154-T180 HydrophobicContact CG-CG2 4.08Å; A176-T180 WeakPolarHBondContact O-CB 3.46Å; A176-T180 WeakPolarHBondContact O-CG2 3.49Å; A176-T180 PolarHBondContact O-N 2.93Å; A176-T180 PolarHBondContact O-OG1 3.4Å; A177-T180 PolarHBondContact O-N 2.9Å; T180-L182 WeakPolarHBondContact OG1-CD1 3.31Å; T180-L182 WeakPolarHBondContact OG1-CG 3.23Å |
| 181 | G | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | trans | 74.1 | 24.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | N155 A177 G211 | N155-G181 WeakPolarHBondContact CA-O 3.34Å; N155-G181 WeakPolarHBondContact CB-O 3.35Å; A177-G181 PolarHBondContact O-N 3.48Å; G181-G211 VanDerWaalsContact C-CA 3.44Å; G181-G211 WeakPolarHBondContact O-CA 3.22Å; G181-G211 PolarHBondContact O-N 3.02Å | ||
| 182 | L | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | trans | -53.8 | 147.5 | 170.5 | -75.7 | 159.3 | 0 | 0 | 0 | 112.1 | L142 M145 F154 M157 L159 A177 T180 L184 G211 N212 | L142-L182 HydrophobicContact CD2-CD1 3.99Å; M145-L182 HydrophobicContact CE-CD1 4.06Å; M145-L182 HydrophobicContact CE-CD2 3.63Å; M145-L182 HydrophobicContact CE-CG 4.46Å; F154-L182 HydrophobicContact CB-CD2 4.28Å; F154-L182 HydrophobicContact CB-CG 4.26Å; F154-L182 HydrophobicContact CD1-CD2 4.39Å; F154-L182 WeakPolarHBondContact O-CD2 3.13Å; M157-L182 HydrophobicContact CB-CD2 3.83Å; L159-L182 HydrophobicContact CB-CD2 4.45Å; L159-L182 HydrophobicContact CD2-CD1 4.37Å; A177-L182 HydrophobicContact CB-CB 4.27Å; T180-L182 WeakPolarHBondContact OG1-CD1 3.31Å; T180-L182 WeakPolarHBondContact OG1-CG 3.23Å; L182-L184 VanDerWaalsContact C-N 3.34Å; L182-L184 PolarHBondContact O-N 2.97Å; L182-G211 WeakPolarHBondContact O-CA 3.28Å; L182-N212 PolarHBondContact O-N 3.02Å; L182-N212 VanDerWaalsContact O-N 3.13Å; L182-N212 VanDerWaalsContact O-O 3.06Å | ||
| 183 | D | 98.9 | Very high | 98.6 | Very high | 38 Ų | 38 | 18.3 Ų | 18.3 | 20% | 0.203 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 88.8 | 156.2 | 174.4 | 31.1 | 0 | 0 | 0 | 108 | M157 T158 L159 R185 | M157-D183 PolarHBondContact O-N 2.9Å; M157-D183 VanDerWaalsContact O-N 3.17Å; T158-D183 WeakPolarHBondContact CA-O 3.38Å; T158-D183 WeakPolarHBondContact CG2-OD2 3.29Å; T158-D183 PolarHBondContact OG1-OD2 3.23Å; L159-D183 PolarHBondContact N-O 3.09Å; D183-R185 IonicContact OD1-NE 3.91Å; D183-R185 IonicContact OD2-CZ 3.4Å; D183-R185 IonicContact OD2-NE 2.73Å; D183-R185 PolarHBondContact OD2-NE 3.38Å; D183-R185 IonicContact OD2-NH2 3.38Å; D183-R185 PolarHBondContact OD2-NH2 2.93Å |
| 184 | L | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 131 | -179.9 | 175.9 | 67.9 | 0 | 0 | 0 | 110.7 | L159 M173 L174 A177 L182 L186 N212 I213 T214 | L159-L184 HydrophobicContact CD2-CD1 4.24Å; L159-L184 HydrophobicContact CG-CD1 4.29Å; L159-L184 WeakPolarHBondContact O-CA 3.12Å; M173-L184 HydrophobicContact CB-CD1 4.01Å; M173-L184 HydrophobicContact CB-CD2 4.02Å; M173-L184 WeakPolarHBondContact O-CD2 3.49Å; M173-L184 HydrophobicContact SD-CD1 4.26Å; L174-L184 HydrophobicContact CD2-CD2 4.1Å; A177-L184 HydrophobicContact CB-CB 3.74Å; A177-L184 HydrophobicContact CB-CD2 3.85Å; A177-L184 HydrophobicContact CB-CG 4.44Å; L182-L184 VanDerWaalsContact C-N 3.34Å; L182-L184 PolarHBondContact O-N 2.97Å; L184-L186 HydrophobicContact CD1-CD2 3.98Å; L184-L186 HydrophobicContact CD2-CD2 4.13Å; L184-L186 HydrophobicContact CD2-CG 4.41Å; L184-L186 HydrophobicContact CG-CD2 4.08Å; L184-L186 HydrophobicContact CG-CG 4.4Å; L184-N212 PolarHBondContact N-O 3.29Å; L184-I213 HydrophobicContact CB-CG1 4.41Å; L184-I213 HydrophobicContact CD2-CD1 4.49Å; L184-I213 HydrophobicContact CD2-CG1 4.41Å; L184-I213 HydrophobicContact CD2-CG2 4.25Å; L184-I213 WeakPolarHBondContact O-CA 3.32Å; L184-T214 PolarHBondContact O-N 3.5Å |
| 185 | R | 98.9 | Very high | 98.5 | Very high | 39 Ų | 39 | 25.3 Ų | 25.3 | 15% | 0.147 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 111.2 | 177.8 | -52.9 | -172.1 | -174.2 | 174.1 | 13.8 | 110.4 | T158 L159 V160 Y161 D183 V187 T214 K221 G222 E224 | T158-R185 HydrophobicContact CG2-CG 4.4Å; L159-R185 PolarHBondContact O-N 3.33Å; V160-R185 CarbonylContact C-O 3.56Å; V160-R185 WeakPolarHBondContact CA-O 3.32Å; V160-R185 HydrophobicContact CG2-CB 4.12Å; Y161-R185 PolarHBondContact N-O 3.22Å; D183-R185 IonicContact OD1-NE 3.91Å; D183-R185 IonicContact OD2-CZ 3.4Å; D183-R185 IonicContact OD2-NE 2.73Å; D183-R185 PolarHBondContact OD2-NE 3.38Å; D183-R185 IonicContact OD2-NH2 3.38Å; D183-R185 PolarHBondContact OD2-NH2 2.93Å; R185-V187 HydrophobicContact CB-CG2 4.39Å; R185-T214 CarbonylContact C-O 3.54Å; R185-T214 WeakPolarHBondContact CA-O 2.97Å; R185-K221 PolarHBondContact NH1-O 3.39Å; R185-G222 WeakPolarHBondContact CD-O 3.49Å; R185-G222 PolarHBondContact NH1-O 3.14Å; R185-E224 PolarHBondContact NH1-O 2.92Å; R185-E224 PolarHBondContact NH2-O 3.36Å |
| 186 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 102.5 | 173.3 | -56.4 | -175 | 0 | 0 | 0 | 108.3 | Y161 A165 L174 L184 P194 T214 L215 T216 | Y161-L186 HydrophobicContact CD1-CD2 4.29Å; Y161-L186 HydrophobicContact CG-CD2 4.33Å; A165-L186 HydrophobicContact CB-CB 4.11Å; A165-L186 HydrophobicContact CB-CD1 4.29Å; L174-L186 HydrophobicContact CD2-CD1 3.84Å; L174-L186 HydrophobicContact CG-CD1 4.38Å; L184-L186 HydrophobicContact CD1-CD2 3.98Å; L184-L186 HydrophobicContact CD2-CD2 4.13Å; L184-L186 HydrophobicContact CD2-CG 4.41Å; L184-L186 HydrophobicContact CG-CD2 4.08Å; L184-L186 HydrophobicContact CG-CG 4.4Å; L186-P194 HydrophobicContact CD1-CG 3.58Å; L186-T214 PolarHBondContact N-O 2.91Å; L186-L215 HydrophobicContact CB-CD1 4.4Å; L186-L215 HydrophobicContact CB-CG 4.13Å; L186-L215 HydrophobicContact CD1-CD1 4.07Å; L186-L215 HydrophobicContact CD1-CG 4.22Å; L186-L215 HydrophobicContact CG-CD1 4.41Å; L186-L215 WeakPolarHBondContact O-CA 3.34Å; L186-T216 PolarHBondContact O-N 3.04Å |
| 187 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 91.5 | -176.3 | -175.5 | 0 | 0 | 0 | 0 | 108.1 | V160 Y161 A162 G163 R185 T216 V219 Y254 | V160-V187 HydrophobicContact CG1-CB 4.34Å; V160-V187 HydrophobicContact CG1-CG2 3.81Å; Y161-V187 PolarHBondContact O-N 3.19Å; A162-V187 WeakPolarHBondContact CA-O 3.42Å; G163-V187 PolarHBondContact N-O 3.24Å; R185-V187 HydrophobicContact CB-CG2 4.39Å; V187-T216 WeakPolarHBondContact CA-O 3.33Å; V187-T216 HydrophobicContact CG2-CG2 4.06Å; V187-V219 HydrophobicContact CG1-CB 4.37Å; V187-V219 HydrophobicContact CG1-CG2 4Å; V187-Y254 HydrophobicContact CG1-CD1 4.1Å; V187-Y254 HydrophobicContact CG1-CE1 4.12Å; V187-Y254 VanDerWaalsContact O-CD1 3.23Å; V187-Y254 WeakPolarHBondContact O-CD1 3.46Å |
| 188 | A | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -153 | 153.2 | -166.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | G163 A165 W193 T216 | G163-A188 WeakPolarHBondContact O-CB 3.42Å; A165-A188 HydrophobicContact CB-CB 3.72Å; A188-W193 PolarHBondContact O-NE1 3.22Å; A188-T216 PolarHBondContact N-O 2.98Å |
| 189 | P | 98.2 | Very high | 98.5 | Very high | 8 Ų | 8 | 34.5 Ų | 34.5 | 5% | 0.052 | 19% | 0.191 | C | C | . | . | trans | -62.5 | 147.1 | 170.8 | 28.5 | -32.3 | 0 | 0 | 0 | 109.2 | A191 C192 E217 L250 L251 Y254 | P189-A191 PolarHBondContact O-N 2.95Å; P189-C192 HydrophobicContact CG-CB 4.01Å; P189-C192 WeakPolarHBondContact O-CA 3.49Å; P189-C192 PolarHBondContact O-N 3.47Å; P189-E217 WeakPolarHBondContact CA-OE1 3.37Å; P189-L250 HydrophobicContact CG-CB 4.37Å; P189-L251 HydrophobicContact CG-CD2 3.78Å; P189-Y254 WeakPolarHBondContact CA-OH 3.37Å; P189-Y254 HydrophobicContact CB-CE2 4.04Å; P189-Y254 VanDerWaalsContact CD-CE2 3.47Å; P189-Y254 HydrophobicContact CG-CD2 4.5Å; P189-Y254 HydrophobicContact CG-CE2 4.03Å | ||
| 190 | Q | 98.2 | Very high | 98.5 | Very high | 124 Ų | 124 | 37.9 Ų | 37.9 | 58% | 0.579 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -56.1 | -33.3 | -174.2 | -171.1 | 178.3 | 36.4 | 0 | 0 | 112.7 | C192 W193 E217 | Q190-C192 PolarHBondContact O-N 2.94Å; Q190-W193 HydrophobicContact CB-CD2 4.41Å; Q190-W193 HydrophobicContact CG-CD2 4.1Å; Q190-W193 HydrophobicContact CG-CE3 3.88Å; Q190-W193 HydrophobicContact CG-CH2 4.38Å; Q190-W193 HydrophobicContact CG-CZ3 4.03Å; Q190-W193 WeakPolarHBondContact O-CB 3.29Å; Q190-W193 PolarHBondContact O-N 2.93Å; Q190-W193 VanDerWaalsContact O-N 3.14Å; Q190-E217 PolarHBondContact N-OE1 3.32Å |
| 191 | A | 97.2 | Very high | 98.5 | Very high | 72 Ų | 72 | 42.5 Ų | 42.5 | 60% | 0.595 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -63.5 | -17.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | P189 L250 | P189-A191 PolarHBondContact O-N 2.95Å; A191-L250 HydrophobicContact CB-CD1 4.4Å |
| 192 | C | 97 | Very high | 98.5 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -110.4 | 16.2 | 177.7 | -61.3 | 0 | 0 | 0 | 0 | 112.5 | A165 R166 P189 Q190 L251 | A165-C192 CarbonylContact C-O 3.55Å; A165-C192 WeakPolarHBondContact CA-O 3.22Å; A165-C192 WeakPolarHBondContact CB-O 3.39Å; A165-C192 PolarHBondContact N-O 3.38Å; A165-C192 VanDerWaalsContact N-O 3.14Å; R166-C192 WeakPolarHBondContact CB-O 3.23Å; R166-C192 HydrophobicContact CG-CB 4.48Å; R166-C192 PolarHBondContact N-O 3.41Å; P189-C192 HydrophobicContact CG-CB 4.01Å; P189-C192 WeakPolarHBondContact O-CA 3.49Å; P189-C192 PolarHBondContact O-N 3.47Å; Q190-C192 PolarHBondContact O-N 2.94Å; C192-L251 HydrophobicContact CB-CD2 4.42Å |
| 193 | W | 98.6 | Very high | 98.5 | Very high | 76 Ų | 76 | 46.1 Ų | 46.1 | 29% | 0.288 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -75.2 | 144.4 | 172.7 | -71.2 | 1.5 | 0 | 0 | 0 | 111.6 | R166 A188 Q190 L215 E217 | R166-W193 WeakPolarHBondContact CB-O 3.38Å; A188-W193 PolarHBondContact O-NE1 3.22Å; Q190-W193 HydrophobicContact CB-CD2 4.41Å; Q190-W193 HydrophobicContact CG-CD2 4.1Å; Q190-W193 HydrophobicContact CG-CE3 3.88Å; Q190-W193 HydrophobicContact CG-CH2 4.38Å; Q190-W193 HydrophobicContact CG-CZ3 4.03Å; Q190-W193 WeakPolarHBondContact O-CB 3.29Å; Q190-W193 PolarHBondContact O-N 2.93Å; Q190-W193 VanDerWaalsContact O-N 3.14Å; W193-L215 HydrophobicContact CB-CD2 3.99Å; W193-L215 HydrophobicContact CD2-CB 3.95Å; W193-L215 HydrophobicContact CD2-CD2 3.72Å; W193-L215 HydrophobicContact CD2-CG 4.28Å; W193-L215 HydrophobicContact CE3-CB 4.16Å; W193-L215 HydrophobicContact CE3-CD2 3.79Å; W193-L215 HydrophobicContact CG-CD2 3.82Å; W193-L215 HydrophobicContact CG-CG 4.44Å; W193-L215 HydrophobicContact CH2-CB 4.16Å; W193-L215 HydrophobicContact CZ2-CB 3.95Å; W193-L215 HydrophobicContact CZ3-CB 4.26Å; W193-E217 HydrophobicContact CZ2-CG 4.23Å |
| 194 | P | 98.2 | Very high | 98.5 | Very high | 7 Ų | 7 | 46.4 Ų | 46.4 | 5% | 0.045 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 167.9 | 174.4 | 23.6 | -26 | 0 | 0 | 0 | 111.7 | A165 N171 L174 L186 T196 V199 | A165-P194 WeakPolarHBondContact O-CB 3.28Å; A165-P194 VanDerWaalsContact O-CD 3.24Å; A165-P194 WeakPolarHBondContact O-CD 3.33Å; A165-P194 WeakPolarHBondContact O-CG 3.17Å; N171-P194 WeakPolarHBondContact OD1-CB 3.45Å; L174-P194 HydrophobicContact CD1-CB 3.91Å; L174-P194 HydrophobicContact CD1-CG 3.75Å; L174-P194 HydrophobicContact CG-CG 4.4Å; L186-P194 HydrophobicContact CD1-CG 3.58Å; P194-T196 PolarHBondContact O-N 2.99Å; P194-V199 HydrophobicContact CB-CG2 4.37Å; P194-V199 HydrophobicContact CG-CG2 3.86Å |
| 195 | E | 98.1 | Very high | 98.4 | Very high | 141 Ų | 141 | 48.8 Ų | 48.8 | 66% | 0.659 | 27% | 0.267 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 130 | -173.6 | -169.7 | -173.2 | 165.8 | 0 | 0 | 112.2 | A197 L198 V199 | E195-A197 HydrophobicContact CG-CB 4.38Å; E195-A197 PolarHBondContact O-N 3.31Å; E195-A197 VanDerWaalsContact O-N 3.12Å; E195-L198 PolarHBondContact O-N 3.29Å; E195-L198 VanDerWaalsContact O-N 3.12Å; E195-V199 WeakPolarHBondContact O-CG2 3.36Å; E195-V199 PolarHBondContact O-N 2.92Å |
| 196 | T | 98.3 | Very high | 98.4 | Very high | 109 Ų | 109 | 47 Ų | 47 | 67% | 0.669 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -54.7 | -34.9 | -177.1 | -53 | 0 | 0 | 0 | 0 | 113.4 | P194 T200 | P194-T196 PolarHBondContact O-N 2.99Å; T196-T200 WeakPolarHBondContact O-CB 3.46Å; T196-T200 PolarHBondContact O-N 3.07Å; T196-T200 PolarHBondContact O-OG1 2.68Å |
| 197 | A | 98.4 | Very high | 98.4 | Very high | 59 Ų | 59 | 52.1 Ų | 52.1 | 49% | 0.488 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63 | -51.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | E195 V199 T200 E201 | E195-A197 HydrophobicContact CG-CB 4.38Å; E195-A197 PolarHBondContact O-N 3.31Å; E195-A197 VanDerWaalsContact O-N 3.12Å; A197-V199 PolarHBondContact O-N 3.48Å; A197-T200 PolarHBondContact O-N 3.01Å; A197-E201 PolarHBondContact O-N 3.16Å |
| 198 | L | 98.5 | Very high | 98.4 | Very high | 23 Ų | 23 | 59.2 Ų | 59.2 | 12% | 0.12 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 177.3 | -176.7 | 63.3 | 0 | 0 | 0 | 111.7 | L13 F133 N171 L174 E195 T200 E201 C202 | L13-L198 HydrophobicContact CD1-CD1 4.47Å; F133-L198 HydrophobicContact CE1-CD2 4.38Å; N171-L198 HydrophobicContact CB-CD2 3.91Å; L174-L198 HydrophobicContact CD1-CB 4.4Å; L174-L198 HydrophobicContact CD1-CD2 3.87Å; L174-L198 HydrophobicContact CD1-CG 3.82Å; E195-L198 PolarHBondContact O-N 3.29Å; E195-L198 VanDerWaalsContact O-N 3.12Å; L198-T200 VanDerWaalsContact C-N 3.29Å; L198-T200 PolarHBondContact O-N 2.76Å; L198-E201 PolarHBondContact O-N 3.38Å; L198-C202 VanDerWaalsContact O-CB 3.28Å; L198-C202 WeakPolarHBondContact O-CB 3.03Å; L198-C202 PolarHBondContact O-N 2.96Å; L198-C202 PolarHBondContact O-SG 3.21Å |
| 199 | V | 98.8 | Very high | 98.4 | Very high | 5 Ų | 5 | 61.8 Ų | 61.8 | 3% | 0.03 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.9 | -42.8 | 175.4 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | L174 P194 E195 A197 R203 L215 | L174-V199 HydrophobicContact CD1-CG2 3.77Å; L174-V199 HydrophobicContact CD2-CG2 4.21Å; P194-V199 HydrophobicContact CB-CG2 4.37Å; P194-V199 HydrophobicContact CG-CG2 3.86Å; E195-V199 WeakPolarHBondContact O-CG2 3.36Å; E195-V199 PolarHBondContact O-N 2.92Å; A197-V199 PolarHBondContact O-N 3.48Å; V199-R203 WeakPolarHBondContact O-CB 3.38Å; V199-R203 PolarHBondContact O-N 3.17Å; V199-L215 HydrophobicContact CG1-CD1 3.9Å; V199-L215 HydrophobicContact CG1-CD2 4.18Å; V199-L215 HydrophobicContact CG2-CD2 4.02Å |
| 200 | T | 98.7 | Very high | 98.4 | Very high | 80 Ų | 80 | 64 Ų | 64 | 49% | 0.491 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.2 | -47.3 | -178.4 | -59.1 | 0 | 0 | 0 | 0 | 111.4 | T196 A197 L198 A204 | T196-T200 WeakPolarHBondContact O-CB 3.46Å; T196-T200 PolarHBondContact O-N 3.07Å; T196-T200 PolarHBondContact O-OG1 2.68Å; A197-T200 PolarHBondContact O-N 3.01Å; L198-T200 VanDerWaalsContact C-N 3.29Å; L198-T200 PolarHBondContact O-N 2.76Å; T200-A204 PolarHBondContact O-N 3.46Å |
| 201 | E | 98.7 | Very high | 98.4 | Very high | 110 Ų | 110 | 58.8 Ų | 58.8 | 51% | 0.514 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.1 | -52.2 | 176.8 | -179.6 | 177.9 | -171.8 | 0 | 0 | 111.4 | A197 L198 R203 A204 L205 | A197-E201 PolarHBondContact O-N 3.16Å; L198-E201 PolarHBondContact O-N 3.38Å; E201-R203 VanDerWaalsContact C-N 3.35Å; E201-R203 PolarHBondContact O-N 3.34Å; E201-A204 PolarHBondContact O-N 3.33Å; E201-L205 HydrophobicContact CG-CD1 4.42Å; E201-L205 PolarHBondContact O-N 3.43Å |
| 202 | C | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.6 | -36.9 | -177.7 | -69.2 | 0 | 0 | 0 | 0 | 112.2 | L174 A178 L198 A204 L205 A206 I213 | L174-C202 HydrophobicContact CB-CB 3.82Å; L174-C202 WeakPolarHBondContact O-CB 3.46Å; A178-C202 HydrophobicContact CB-CB 4Å; L198-C202 VanDerWaalsContact O-CB 3.28Å; L198-C202 WeakPolarHBondContact O-CB 3.03Å; L198-C202 PolarHBondContact O-N 2.96Å; L198-C202 PolarHBondContact O-SG 3.21Å; C202-A204 VanDerWaalsContact C-N 3.35Å; C202-A204 PolarHBondContact O-N 3.19Å; C202-L205 PolarHBondContact O-N 2.87Å; C202-A206 WeakPolarHBondContact O-CB 3.27Å; C202-A206 PolarHBondContact O-N 2.76Å; C202-I213 HydrophobicContact CB-CD1 3.69Å |
| 203 | R | 98.8 | Very high | 98.6 | Very high | 76 Ų | 76 | 58.3 Ų | 58.3 | 29% | 0.287 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 177.2 | -176.8 | -176.4 | -67.3 | 128 | -0.1 | 111.2 | V199 E201 L205 A206 Q207 I213 | V199-R203 WeakPolarHBondContact O-CB 3.38Å; V199-R203 PolarHBondContact O-N 3.17Å; E201-R203 VanDerWaalsContact C-N 3.35Å; E201-R203 PolarHBondContact O-N 3.34Å; R203-L205 VanDerWaalsContact C-N 3.32Å; R203-L205 PolarHBondContact O-N 2.89Å; R203-A206 PolarHBondContact O-N 3.02Å; R203-Q207 VanDerWaalsContact O-CG 3.31Å; R203-Q207 WeakPolarHBondContact O-CG 3.11Å; R203-Q207 PolarHBondContact O-N 3.03Å; R203-I213 HydrophobicContact CB-CB 4.16Å; R203-I213 HydrophobicContact CB-CD1 4.31Å; R203-I213 HydrophobicContact CB-CG1 4.39Å; R203-I213 HydrophobicContact CG-CB 4.27Å; R203-I213 PolarHBondContact NE-O 3.37Å; R203-I213 PolarHBondContact NH2-O 3.14Å; R203-I213 VanDerWaalsContact NH2-O 3.12Å |
| 204 | A | 98.8 | Very high | 98.6 | Very high | 44 Ų | 44 | 57.1 Ų | 57.1 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.9 | -41.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T200 E201 C202 Q208 | T200-A204 PolarHBondContact O-N 3.46Å; E201-A204 PolarHBondContact O-N 3.33Å; C202-A204 VanDerWaalsContact C-N 3.35Å; C202-A204 PolarHBondContact O-N 3.19Å; A204-Q208 WeakPolarHBondContact O-CG 3.44Å; A204-Q208 PolarHBondContact O-N 2.94Å |
| 205 | L | 98.7 | Very high | 98.6 | Very high | 52 Ų | 52 | 58.2 Ų | 58.2 | 27% | 0.272 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -69.9 | -40.4 | 176 | -68.4 | 171.5 | 0 | 0 | 0 | 112.5 | L13 A178 E201 C202 R203 Q207 Q208 N209 | L13-L205 HydrophobicContact CD2-CD1 3.87Å; A178-L205 HydrophobicContact CB-CB 3.72Å; A178-L205 HydrophobicContact CB-CD1 4.11Å; A178-L205 CarbonylContact O-C 3.56Å; E201-L205 HydrophobicContact CG-CD1 4.42Å; E201-L205 PolarHBondContact O-N 3.43Å; C202-L205 PolarHBondContact O-N 2.87Å; R203-L205 VanDerWaalsContact C-N 3.32Å; R203-L205 PolarHBondContact O-N 2.89Å; L205-Q207 VanDerWaalsContact C-N 3.32Å; L205-Q207 PolarHBondContact O-N 3.23Å; L205-Q208 WeakPolarHBondContact O-CB 3.36Å; L205-Q208 PolarHBondContact O-N 3.24Å; L205-N209 PolarHBondContact O-N 3.47Å; L205-N209 PolarHBondContact O-ND2 3.44Å |
| 206 | A | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.3 | -44.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | A177 C202 R203 Q208 N209 G210 G211 I213 | A177-A206 HydrophobicContact CB-CB 4.34Å; A177-A206 WeakPolarHBondContact O-CA 3.43Å; A177-A206 WeakPolarHBondContact O-CB 3.36Å; C202-A206 WeakPolarHBondContact O-CB 3.27Å; C202-A206 PolarHBondContact O-N 2.76Å; R203-A206 PolarHBondContact O-N 3.02Å; A206-Q208 VanDerWaalsContact C-N 3.33Å; A206-Q208 PolarHBondContact O-N 3.47Å; A206-N209 CarbonylContact O-C 3.5Å; A206-N209 WeakPolarHBondContact O-CA 3.37Å; A206-N209 PolarHBondContact O-N 3.44Å; A206-G210 PolarHBondContact O-N 3.08Å; A206-G210 VanDerWaalsContact O-N 3.17Å; A206-G211 WeakPolarHBondContact O-CA 3.48Å; A206-G211 PolarHBondContact O-N 3.47Å; A206-I213 HydrophobicContact CB-CD1 4.25Å; A206-I213 HydrophobicContact CB-CG1 4.02Å |
| 207 | Q | 98.7 | Very high | 98.7 | Very high | 108 Ų | 108 | 52.4 Ų | 52.4 | 51% | 0.505 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.1 | -36.3 | 176.7 | -72.5 | 174.4 | -12.6 | 0 | 0 | 112.7 | R203 L205 N209 G210 G211 N212 | R203-Q207 VanDerWaalsContact O-CG 3.31Å; R203-Q207 WeakPolarHBondContact O-CG 3.11Å; R203-Q207 PolarHBondContact O-N 3.03Å; L205-Q207 VanDerWaalsContact C-N 3.32Å; L205-Q207 PolarHBondContact O-N 3.23Å; Q207-N209 PolarHBondContact O-N 3.05Å; Q207-G210 PolarHBondContact O-N 3.32Å; Q207-G210 VanDerWaalsContact O-N 3.16Å; Q207-G211 WeakPolarHBondContact CA-O 3.45Å; Q207-N212 PolarHBondContact NE2-OD1 3.45Å |
| 208 | Q | 98.5 | Very high | 98.7 | Very high | 149 Ų | 149 | 52.3 Ų | 52.3 | 70% | 0.696 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -63.5 | -27.6 | 172.9 | -70.7 | 172.2 | 36.2 | 0 | 0 | 112.6 | A204 L205 A206 | A204-Q208 WeakPolarHBondContact O-CG 3.44Å; A204-Q208 PolarHBondContact O-N 2.94Å; L205-Q208 WeakPolarHBondContact O-CB 3.36Å; L205-Q208 PolarHBondContact O-N 3.24Å; A206-Q208 VanDerWaalsContact C-N 3.33Å; A206-Q208 PolarHBondContact O-N 3.47Å |
| 209 | N | 98.4 | Very high | 98.7 | Very high | 54 Ų | 54 | 52.7 Ų | 52.7 | 29% | 0.289 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 7.4 | 177 | -68.9 | -70.2 | 0 | 0 | 0 | 113.7 | N155 A178 L205 A206 Q207 | N155-N209 PolarHBondContact ND2-O 3.33Å; A178-N209 PolarHBondContact O-ND2 2.88Å; L205-N209 PolarHBondContact O-N 3.47Å; L205-N209 PolarHBondContact O-ND2 3.44Å; A206-N209 CarbonylContact O-C 3.5Å; A206-N209 WeakPolarHBondContact O-CA 3.37Å; A206-N209 PolarHBondContact O-N 3.44Å; Q207-N209 PolarHBondContact O-N 3.05Å |
| 210 | G | 98.3 | Very high | 98.7 | Very high | 55 Ų | 55 | 54.7 Ų | 54.7 | 57% | 0.567 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.2 | 10.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | A206 Q207 | A206-G210 PolarHBondContact O-N 3.08Å; A206-G210 VanDerWaalsContact O-N 3.17Å; Q207-G210 PolarHBondContact O-N 3.32Å; Q207-G210 VanDerWaalsContact O-N 3.16Å |
| 211 | G | 98.6 | Very high | 98.7 | Very high | 14 Ų | 14 | 57.4 Ų | 57.4 | 14% | 0.144 | 31% | 0.312 | C | S | . | . | trans | -104.4 | -168.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | G181 L182 A206 Q207 | G181-G211 VanDerWaalsContact C-CA 3.44Å; G181-G211 WeakPolarHBondContact O-CA 3.22Å; G181-G211 PolarHBondContact O-N 3.02Å; L182-G211 WeakPolarHBondContact O-CA 3.28Å; A206-G211 WeakPolarHBondContact O-CA 3.48Å; A206-G211 PolarHBondContact O-N 3.47Å; Q207-G211 WeakPolarHBondContact CA-O 3.45Å | ||
| 212 | N | 98.7 | Very high | 98.7 | Very high | 60 Ų | 60 | 52.3 Ų | 52.3 | 32% | 0.321 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 163.4 | 173.2 | -158.4 | 13.5 | 0 | 0 | 0 | 111.6 | L182 L184 Q207 | L182-N212 PolarHBondContact O-N 3.02Å; L182-N212 VanDerWaalsContact O-N 3.13Å; L182-N212 VanDerWaalsContact O-O 3.06Å; L184-N212 PolarHBondContact N-O 3.29Å; Q207-N212 PolarHBondContact NE2-OD1 3.45Å |
| 213 | I | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 109.8 | 175.1 | -56.6 | -175.7 | 0 | 0 | 0 | 109.5 | L174 A177 L184 C202 R203 A206 L215 | L174-I213 HydrophobicContact CD2-CD1 3.84Å; L174-I213 HydrophobicContact CD2-CG2 3.62Å; A177-I213 HydrophobicContact CB-CD1 4.02Å; A177-I213 HydrophobicContact CB-CG1 4.01Å; L184-I213 HydrophobicContact CB-CG1 4.41Å; L184-I213 HydrophobicContact CD2-CD1 4.49Å; L184-I213 HydrophobicContact CD2-CG1 4.41Å; L184-I213 HydrophobicContact CD2-CG2 4.25Å; L184-I213 WeakPolarHBondContact O-CA 3.32Å; C202-I213 HydrophobicContact CB-CD1 3.69Å; R203-I213 HydrophobicContact CB-CB 4.16Å; R203-I213 HydrophobicContact CB-CD1 4.31Å; R203-I213 HydrophobicContact CB-CG1 4.39Å; R203-I213 HydrophobicContact CG-CB 4.27Å; R203-I213 PolarHBondContact NE-O 3.37Å; R203-I213 PolarHBondContact NH2-O 3.14Å; R203-I213 VanDerWaalsContact NH2-O 3.12Å; A206-I213 HydrophobicContact CB-CD1 4.25Å; A206-I213 HydrophobicContact CB-CG1 4.02Å; I213-L215 HydrophobicContact CG2-CD1 3.67Å |
| 214 | T | 98.9 | Very high | 98.7 | Very high | 51 Ų | 51 | 54.7 Ų | 54.7 | 31% | 0.313 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 127.7 | 179.1 | -56.6 | 0 | 0 | 0 | 0 | 110.1 | L184 R185 L186 | L184-T214 PolarHBondContact O-N 3.5Å; R185-T214 CarbonylContact C-O 3.54Å; R185-T214 WeakPolarHBondContact CA-O 2.97Å; L186-T214 PolarHBondContact N-O 2.91Å |
| 215 | L | 98.8 | Very high | 98.7 | Very high | 30 Ų | 30 | 54.4 Ų | 54.4 | 16% | 0.157 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 127.8 | 170.8 | -80.1 | 64.1 | 0 | 0 | 0 | 107.4 | L186 W193 V199 I213 | L186-L215 HydrophobicContact CB-CD1 4.4Å; L186-L215 HydrophobicContact CB-CG 4.13Å; L186-L215 HydrophobicContact CD1-CD1 4.07Å; L186-L215 HydrophobicContact CD1-CG 4.22Å; L186-L215 HydrophobicContact CG-CD1 4.41Å; L186-L215 WeakPolarHBondContact O-CA 3.34Å; W193-L215 HydrophobicContact CB-CD2 3.99Å; W193-L215 HydrophobicContact CD2-CB 3.95Å; W193-L215 HydrophobicContact CD2-CD2 3.72Å; W193-L215 HydrophobicContact CD2-CG 4.28Å; W193-L215 HydrophobicContact CE3-CB 4.16Å; W193-L215 HydrophobicContact CE3-CD2 3.79Å; W193-L215 HydrophobicContact CG-CD2 3.82Å; W193-L215 HydrophobicContact CG-CG 4.44Å; W193-L215 HydrophobicContact CH2-CB 4.16Å; W193-L215 HydrophobicContact CZ2-CB 3.95Å; W193-L215 HydrophobicContact CZ3-CB 4.26Å; V199-L215 HydrophobicContact CG1-CD1 3.9Å; V199-L215 HydrophobicContact CG1-CD2 4.18Å; V199-L215 HydrophobicContact CG2-CD2 4.02Å; I213-L215 HydrophobicContact CG2-CD1 3.67Å |
| 216 | T | 98.8 | Very high | 98.7 | Very high | 28 Ų | 28 | 52 Ų | 52 | 17% | 0.172 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 145.9 | -176.1 | -177.5 | 0 | 0 | 0 | 0 | 112 | L186 V187 A188 D218 | L186-T216 PolarHBondContact O-N 3.04Å; V187-T216 WeakPolarHBondContact CA-O 3.33Å; V187-T216 HydrophobicContact CG2-CG2 4.06Å; A188-T216 PolarHBondContact N-O 2.98Å; T216-D218 PolarHBondContact OG1-N 3.45Å |
| 217 | E | 98.7 | Very high | 98.7 | Very high | 101 Ų | 101 | 52.8 Ų | 52.8 | 47% | 0.472 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -89.5 | -15.3 | 169 | -56.8 | -171.6 | 112.5 | 0 | 0 | 111.7 | P189 Q190 W193 V219 Y254 | P189-E217 WeakPolarHBondContact CA-OE1 3.37Å; Q190-E217 PolarHBondContact N-OE1 3.32Å; W193-E217 HydrophobicContact CZ2-CG 4.23Å; E217-V219 PolarHBondContact O-N 3.07Å; E217-Y254 WeakPolarHBondContact CA-OH 3.47Å; E217-Y254 WeakPolarHBondContact CB-OH 3.5Å; E217-Y254 PolarHBondContact O-OH 3.21Å |
| 218 | D | 98.7 | Very high | 98.7 | Very high | 57 Ų | 57 | 47.7 Ų | 47.7 | 31% | 0.305 | 27% | 0.273 | S | S | . | . | trans | -79.8 | 102.9 | 179.9 | -173.4 | -27.8 | 0 | 0 | 0 | 110.2 | T216 A220 K221 G222 | T216-D218 PolarHBondContact OG1-N 3.45Å; D218-A220 PolarHBondContact OD1-N 3.31Å; D218-K221 HydrophobicContact CB-CB 4.39Å; D218-K221 PolarHBondContact OD1-N 2.99Å; D218-K221 VanDerWaalsContact OD1-N 3.1Å; D218-K221 WeakPolarHBondContact OD2-CD 3.27Å; D218-K221 WeakPolarHBondContact OD2-CE 3.41Å; D218-K221 WeakPolarHBondContact OD2-CG 3.3Å; D218-K221 IonicContact OD2-NZ 3.73Å; D218-K221 PolarHBondContact OD2-NZ 3.29Å; D218-G222 WeakPolarHBondContact O-CA 3.44Å; D218-G222 PolarHBondContact O-N 2.84Å | ||
| 219 | V | 98.7 | Very high | 98.7 | Very high | 30 Ų | 30 | 40.6 Ų | 40.6 | 18% | 0.182 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.9 | -47 | 178.3 | 174 | 0 | 0 | 0 | 0 | 111.7 | V187 E217 K221 G222 V223 Y254 M260 L263 | V187-V219 HydrophobicContact CG1-CB 4.37Å; V187-V219 HydrophobicContact CG1-CG2 4Å; E217-V219 PolarHBondContact O-N 3.07Å; V219-K221 PolarHBondContact O-N 2.94Å; V219-G222 PolarHBondContact O-N 3.27Å; V219-V223 HydrophobicContact CG1-CG1 4.24Å; V219-V223 WeakPolarHBondContact O-CG1 3.41Å; V219-V223 WeakPolarHBondContact O-CG2 3.41Å; V219-V223 PolarHBondContact O-N 3.21Å; V219-Y254 HydrophobicContact CG2-CD1 3.94Å; V219-Y254 HydrophobicContact CG2-CE1 4.01Å; V219-M260 HydrophobicContact CG1-CE 3.82Å; V219-M260 HydrophobicContact CG1-CG 4.18Å; V219-M260 HydrophobicContact CG2-CE 4.49Å; V219-L263 HydrophobicContact CG1-CD1 4.32Å |
| 220 | A | 98.2 | Very high | 98.7 | Very high | 47 Ų | 47 | 38 Ų | 38 | 39% | 0.388 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.7 | -45.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D218 L263 | D218-A220 PolarHBondContact OD1-N 3.31Å; A220-L263 HydrophobicContact CB-CD2 4.41Å |
| 221 | K | 98.3 | Very high | 98.8 | Very high | 138 Ų | 138 | 35.4 Ų | 35.4 | 60% | 0.6 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -72.6 | -35.7 | 174.8 | -64.5 | -174.8 | -167.9 | 116.2 | 0 | 112.4 | R185 D218 V219 V223 | R185-K221 PolarHBondContact NH1-O 3.39Å; D218-K221 HydrophobicContact CB-CB 4.39Å; D218-K221 PolarHBondContact OD1-N 2.99Å; D218-K221 VanDerWaalsContact OD1-N 3.1Å; D218-K221 WeakPolarHBondContact OD2-CD 3.27Å; D218-K221 WeakPolarHBondContact OD2-CE 3.41Å; D218-K221 WeakPolarHBondContact OD2-CG 3.3Å; D218-K221 IonicContact OD2-NZ 3.73Å; D218-K221 PolarHBondContact OD2-NZ 3.29Å; V219-K221 PolarHBondContact O-N 2.94Å; K221-V223 VanDerWaalsContact C-N 3.33Å; K221-V223 PolarHBondContact O-N 2.75Å |
| 222 | G | 98.7 | Very high | 98.7 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.8 | -42.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R185 D218 V219 | R185-G222 WeakPolarHBondContact CD-O 3.49Å; R185-G222 PolarHBondContact NH1-O 3.14Å; D218-G222 WeakPolarHBondContact O-CA 3.44Å; D218-G222 PolarHBondContact O-N 2.84Å; V219-G222 PolarHBondContact O-N 3.27Å |
| 223 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -91.9 | -10.3 | -173.9 | -50.3 | 0 | 0 | 0 | 0 | 115 | V160 V219 K221 G225 A226 I229 M260 L263 T264 | V160-V223 HydrophobicContact CG1-CG1 4.05Å; V219-V223 HydrophobicContact CG1-CG1 4.24Å; V219-V223 WeakPolarHBondContact O-CG1 3.41Å; V219-V223 WeakPolarHBondContact O-CG2 3.41Å; V219-V223 PolarHBondContact O-N 3.21Å; K221-V223 VanDerWaalsContact C-N 3.33Å; K221-V223 PolarHBondContact O-N 2.75Å; V223-G225 PolarHBondContact O-N 2.82Å; V223-A226 VanDerWaalsContact O-CB 3.29Å; V223-A226 WeakPolarHBondContact O-CB 3.33Å; V223-A226 PolarHBondContact O-N 3.34Å; V223-A226 VanDerWaalsContact O-N 3.11Å; V223-I229 HydrophobicContact CB-CD1 4.27Å; V223-I229 HydrophobicContact CG1-CD1 4.31Å; V223-M260 HydrophobicContact CG1-CG 3.9Å; V223-M260 HydrophobicContact CG1-SD 4.29Å; V223-L263 HydrophobicContact CG2-CB 3.54Å; V223-T264 HydrophobicContact CB-CG2 4.14Å; V223-T264 HydrophobicContact CG2-CG2 4.25Å; V223-T264 VanDerWaalsContact O-CA 3.32Å; V223-T264 WeakPolarHBondContact O-CA 3.34Å; V223-T264 WeakPolarHBondContact O-CG2 3.33Å |
| 224 | E | 98.8 | Very high | 98.4 | Very high | 126 Ų | 126 | 33.2 Ų | 33.2 | 59% | 0.589 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56 | 122.6 | -175.9 | -175.8 | 178 | -154.2 | 0 | 0 | 112.6 | R185 A226 | R185-E224 PolarHBondContact NH1-O 2.92Å; R185-E224 PolarHBondContact NH2-O 3.36Å; E224-A226 VanDerWaalsContact C-N 3.29Å; E224-A226 PolarHBondContact O-N 3.07Å |
| 225 | G | 98.7 | Very high | 97.7 | Very high | 39 Ų | 39 | 31.7 Ų | 31.7 | 40% | 0.402 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 9.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | V223 D227 T264 | V223-G225 PolarHBondContact O-N 2.82Å; G225-D227 PolarHBondContact O-N 2.86Å; G225-T264 WeakPolarHBondContact CA-O 3.46Å; G225-T264 PolarHBondContact N-O 3.11Å |
| 226 | A | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -58.8 | 134.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T158 V160 V223 E224 I229 T264 N266 | T158-A226 HydrophobicContact CG2-CB 4.31Å; V160-A226 HydrophobicContact CB-CB 4.41Å; V160-A226 HydrophobicContact CG2-CB 3.56Å; V223-A226 VanDerWaalsContact O-CB 3.29Å; V223-A226 WeakPolarHBondContact O-CB 3.33Å; V223-A226 PolarHBondContact O-N 3.34Å; V223-A226 VanDerWaalsContact O-N 3.11Å; E224-A226 VanDerWaalsContact C-N 3.29Å; E224-A226 PolarHBondContact O-N 3.07Å; A226-I229 HydrophobicContact CB-CG1 4.31Å; A226-T264 HydrophobicContact CB-CG2 4.14Å; A226-N266 PolarHBondContact O-ND2 3.03Å | ||
| 227 | D | 98.9 | Very high | 94.9 | Very high | 17 Ų | 17 | 35 Ų | 35 | 9% | 0.091 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -80.6 | -34.1 | 165.8 | -61.9 | -85.9 | 0 | 0 | 0 | 110.6 | L149 K152 M157 T158 G225 V269 K270 | L149-D227 HydrophobicContact CD1-CB 3.68Å; K152-D227 IonicContact NZ-OD1 2.74Å; K152-D227 PolarHBondContact NZ-OD1 2.74Å; K152-D227 IonicContact NZ-OD2 2.75Å; M157-D227 VanDerWaalsContact CA-OD2 3.32Å; M157-D227 WeakPolarHBondContact CA-OD2 2.95Å; T158-D227 PolarHBondContact N-OD2 2.65Å; T158-D227 PolarHBondContact O-N 3.49Å; G225-D227 PolarHBondContact O-N 2.86Å; D227-V269 WeakPolarHBondContact O-CA 3.13Å; D227-K270 PolarHBondContact O-N 3.02Å |
| 228 | F | 99 | Very high | 93.4 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 135.3 | 179.1 | -58.3 | -82.8 | 0 | 0 | 0 | 111.8 | M145 H148 L149 M157 T158 L159 V160 K270 L272 I312 | M145-F228 HydrophobicContact CB-CD2 4.37Å; M145-F228 HydrophobicContact CB-CE1 4.46Å; M145-F228 HydrophobicContact CB-CE2 3.7Å; M145-F228 HydrophobicContact CB-CZ 3.78Å; M145-F228 HydrophobicContact CG-CD1 4.2Å; M145-F228 HydrophobicContact CG-CD2 3.75Å; M145-F228 HydrophobicContact CG-CE1 4.07Å; M145-F228 HydrophobicContact CG-CE2 3.57Å; M145-F228 HydrophobicContact CG-CG 4.07Å; M145-F228 HydrophobicContact CG-CZ 3.76Å; M145-F228 HydrophobicContact SD-CD2 4.35Å; H148-F228 HydrophobicContact CB-CE1 4.18Å; H148-F228 HydrophobicContact CB-CZ 4.24Å; L149-F228 HydrophobicContact CD1-CD2 4.42Å; L149-F228 HydrophobicContact CD1-CE2 3.4Å; L149-F228 VanDerWaalsContact CD1-CE2 3.4Å; L149-F228 HydrophobicContact CD1-CZ 3.75Å; L149-F228 HydrophobicContact CG-CE2 4.1Å; L149-F228 HydrophobicContact CG-CZ 3.91Å; M157-F228 HydrophobicContact SD-CE2 4.39Å; T158-F228 PolarHBondContact O-N 3.16Å; L159-F228 HydrophobicContact CD1-CB 3.69Å; V160-F228 PolarHBondContact N-O 2.98Å; F228-K270 WeakPolarHBondContact CA-O 3.36Å; F228-K270 HydrophobicContact CD1-CB 3.78Å; F228-K270 HydrophobicContact CE1-CB 3.91Å; F228-K270 HydrophobicContact CE1-CG 4.32Å; F228-L272 HydrophobicContact CB-CD1 4.06Å; F228-L272 HydrophobicContact CD1-CD1 3.79Å; F228-L272 HydrophobicContact CD1-CG 4.28Å; F228-L272 HydrophobicContact CG-CD1 4.07Å; F228-I312 HydrophobicContact CD1-CD1 4.3Å; F228-I312 HydrophobicContact CE1-CD1 3.93Å |
| 229 | I | 98.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 126.5 | 163.1 | -64.6 | -176.1 | 0 | 0 | 0 | 108.6 | V160 V223 A226 V256 M260 M261 T264 V269 K270 F271 L272 | V160-I229 HydrophobicContact CB-CG1 4.22Å; V160-I229 HydrophobicContact CG1-CG1 4.44Å; V223-I229 HydrophobicContact CB-CD1 4.27Å; V223-I229 HydrophobicContact CG1-CD1 4.31Å; A226-I229 HydrophobicContact CB-CG1 4.31Å; I229-V256 HydrophobicContact CG2-CB 4.46Å; I229-V256 HydrophobicContact CG2-CG1 3.82Å; I229-V256 HydrophobicContact CG2-CG2 3.73Å; I229-M260 HydrophobicContact CD1-CG 4.04Å; I229-M260 HydrophobicContact CD1-SD 4.43Å; I229-M260 HydrophobicContact CG2-SD 4.34Å; I229-M261 HydrophobicContact CB-SD 4.16Å; I229-M261 HydrophobicContact CD1-SD 3.82Å; I229-M261 HydrophobicContact CG1-SD 4.35Å; I229-T264 HydrophobicContact CD1-CG2 3.53Å; I229-T264 HydrophobicContact CG1-CG2 4.19Å; I229-V269 HydrophobicContact CG1-CG2 4.13Å; I229-K270 PolarHBondContact N-O 2.98Å; I229-F271 WeakPolarHBondContact O-CA 3.3Å; I229-F271 WeakPolarHBondContact O-CD2 3.4Å; I229-L272 PolarHBondContact O-N 3.39Å |
| 230 | Y | 98.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 142.9 | 176.6 | -159.7 | -67.5 | 0 | 0 | 0 | 110.1 | V160 Y161 A162 M169 M173 L272 C274 Q316 | V160-Y230 WeakPolarHBondContact O-CB 3.36Å; V160-Y230 PolarHBondContact O-N 3.45Å; Y161-Y230 CarbonylContact C-O 3.43Å; Y161-Y230 WeakPolarHBondContact CA-O 3.19Å; Y161-Y230 AromaticContact CD2-CD1 3.67Å; Y161-Y230 HydrophobicContact CD2-CD1 3.67Å; Y161-Y230 HydrophobicContact CD2-CE1 4.46Å; Y161-Y230 HydrophobicContact CD2-CG 4.29Å; Y161-Y230 AromaticContact CE2-CD1 3.87Å; Y161-Y230 HydrophobicContact CE2-CD1 3.87Å; Y161-Y230 HydrophobicContact CE2-CE1 4.29Å; A162-Y230 PolarHBondContact N-O 3.22Å; M169-Y230 HydrophobicContact CE-CE1 3.97Å; M169-Y230 HydrophobicContact CE-CE2 4.38Å; M169-Y230 VanDerWaalsContact CE-OH 3.26Å; M169-Y230 WeakPolarHBondContact CE-OH 3.22Å; M173-Y230 HydrophobicContact CE-CD1 3.53Å; M173-Y230 HydrophobicContact CE-CD2 3.53Å; M173-Y230 HydrophobicContact CE-CE1 3.99Å; M173-Y230 HydrophobicContact CE-CE2 3.94Å; M173-Y230 HydrophobicContact CE-CG 3.34Å; Y230-L272 WeakPolarHBondContact CA-O 3.42Å; Y230-L272 HydrophobicContact CD2-CB 3.3Å; Y230-L272 HydrophobicContact CD2-CD1 4.05Å; Y230-L272 HydrophobicContact CD2-CG 4.3Å; Y230-L272 HydrophobicContact CE2-CB 3.78Å; Y230-L272 HydrophobicContact CG-CB 3.98Å; Y230-C274 VanDerWaalsContact OH-CA 3.24Å; Y230-C274 WeakPolarHBondContact OH-CA 3.3Å; Y230-C274 WeakPolarHBondContact OH-CB 3.34Å; Y230-C274 PolarHBondContact OH-N 2.82Å; Y230-Q316 PolarHBondContact OH-NE2 3.42Å; Y230-Q316 VanDerWaalsContact OH-NE2 3.17Å |
| 231 | T | 98.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 167.8 | 164.7 | -167 | 0 | 0 | 0 | 0 | 111.3 | A162 V256 F271 L272 E300 V301 | A162-T231 PolarHBondContact O-OG1 3.23Å; A162-T231 VanDerWaalsContact O-OG1 3.1Å; T231-V256 HydrophobicContact CG2-CB 4.37Å; T231-V256 HydrophobicContact CG2-CG2 3.8Å; T231-F271 HydrophobicContact CG2-CE2 3.73Å; T231-F271 HydrophobicContact CG2-CZ 3.79Å; T231-L272 PolarHBondContact N-O 3.28Å; T231-E300 HydrophobicContact CG2-CB 4.19Å; T231-E300 HydrophobicContact CG2-CG 3.86Å; T231-V301 HydrophobicContact CG2-CB 4.17Å |
| 232 | D | 98 | Very high | 90.2 | Very high | 12 Ų | 12 | 37.6 Ų | 37.6 | 6% | 0.064 | 22% | 0.223 | C | C | . | . | trans | -137.5 | 169.2 | 168.7 | -163.8 | 3.9 | 0 | 0 | 0 | 109.6 | Y161 W234 H273 C274 E300 | Y161-D232 HydrophobicContact CE2-CB 4.32Å; D232-W234 PolarHBondContact O-N 3.44Å; D232-H273 IonicContact OD1-CE1 3.15Å; D232-H273 PolarHBondContact OD1-CE1 2.74Å; D232-C274 PolarHBondContact OD1-SG 3.09Å; D232-C274 PolarHBondContact OD2-SG 3.26Å; D232-E300 VanDerWaalsContact O-CB 3.3Å; D232-E300 WeakPolarHBondContact O-CB 3.42Å; D232-E300 WeakPolarHBondContact O-CG 3.36Å | ||
| 233 | V | 95.6 | Very high | 89.5 | Confident | 15 Ų | 15 | 42.5 Ų | 42.5 | 9% | 0.091 | 24% | 0.244 | C | C | . | . | trans | -53.8 | 134.7 | 175.8 | -61.2 | 0 | 0 | 0 | 0 | 110.4 | V235 P276 F278 | V233-V235 WeakPolarHBondContact CG2-O 3.19Å; V233-V235 PolarHBondContact O-N 3.13Å; V233-P276 WeakPolarHBondContact CG1-O 3.28Å; V233-F278 HydrophobicContact CB-CD2 4.39Å; V233-F278 HydrophobicContact CB-CE2 4.36Å; V233-F278 HydrophobicContact CG1-CD2 3.74Å; V233-F278 HydrophobicContact CG1-CE2 3.82Å | ||
| 234 | W | 94.3 | Very high | 89.1 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.008 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -68.4 | -18.5 | -179.1 | -63.6 | -20 | 0 | 0 | 0 | 114.3 | D232 I248 L251 R252 Q255 L295 M299 E300 | D232-W234 PolarHBondContact O-N 3.44Å; W234-I248 HydrophobicContact CE3-CG1 4.07Å; W234-I248 HydrophobicContact CZ3-CG1 4.49Å; W234-I248 HydrophobicContact CZ3-CG2 4.35Å; W234-L251 HydrophobicContact CB-CB 4.27Å; W234-L251 HydrophobicContact CB-CD1 3.58Å; W234-L251 HydrophobicContact CD2-CB 3.71Å; W234-L251 HydrophobicContact CE3-CB 4.33Å; W234-L251 HydrophobicContact CG-CB 3.67Å; W234-L251 HydrophobicContact CG-CD1 3.78Å; W234-L251 HydrophobicContact CG-CG 4.35Å; W234-L251 WeakPolarHBondContact CZ2-O 3.31Å; W234-R252 VanDerWaalsContact CH2-CA 3.48Å; W234-R252 HydrophobicContact CH2-CB 4.12Å; W234-R252 HydrophobicContact CZ3-CB 4.31Å; W234-Q255 HydrophobicContact CH2-CB 4.32Å; W234-Q255 HydrophobicContact CZ2-CB 3.96Å; W234-L295 HydrophobicContact CH2-CD2 4.41Å; W234-L295 HydrophobicContact CZ3-CD1 3.8Å; W234-L295 HydrophobicContact CZ3-CD2 4.31Å; W234-M299 HydrophobicContact CE3-CE 4.32Å; W234-M299 WeakPolarHBondContact CH2-O 3.44Å; W234-M299 WeakPolarHBondContact CZ2-O 3.39Å; W234-M299 HydrophobicContact CZ3-CB 4.38Å; W234-E300 HydrophobicContact CD2-CB 4.44Å; W234-E300 HydrophobicContact CG-CB 4.41Å; W234-E300 HydrophobicContact CZ2-CB 4.41Å |
| 235 | V | 84.2 | Confident | 88.7 | Confident | 19 Ų | 19 | 40.7 Ų | 40.7 | 12% | 0.115 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -130.1 | 119.6 | 176.7 | -170 | 0 | 0 | 0 | 0 | 109.7 | V233 E239 W244 R247 | V233-V235 WeakPolarHBondContact CG2-O 3.19Å; V233-V235 PolarHBondContact O-N 3.13Å; V235-E239 HydrophobicContact CG1-CB 3.76Å; V235-W244 HydrophobicContact CG1-CG 4.31Å; V235-W244 VanDerWaalsContact CG1-NE1 3.29Å; V235-W244 HydrophobicContact CG2-CB 4.47Å; V235-W244 HydrophobicContact CG2-CG 4.16Å; V235-R247 HydrophobicContact CG2-CB 3.86Å; V235-R247 HydrophobicContact CG2-CG 4.3Å |
| 236 | S | 74.8 | Confident | 88.4 | Confident | 34 Ų | 34 | 44.9 Ų | 44.9 | 24% | 0.238 | 25% | 0.253 | C | S | . | . | trans | -76.8 | 154.9 | -175.1 | -70.1 | 0 | 0 | 0 | 0 | 112.4 | G238 E239 | S236-G238 PolarHBondContact O-N 3.16Å; S236-G238 VanDerWaalsContact O-N 3.13Å; S236-E239 PolarHBondContact N-OE2 3.18Å; S236-E239 PolarHBondContact O-N 2.9Å; S236-E239 VanDerWaalsContact O-N 3.1Å | ||
| 237 | M | 64.4 | Low | 88.1 | Confident | 95 Ų | 95 | 46.1 Ų | 46.1 | 47% | 0.468 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | 118.9 | 172.3 | -72.6 | -178.8 | -69.5 | 0 | 0 | 111.1 | ||
| 238 | G | 68.5 | Low | 87.9 | Confident | 82 Ų | 82 | 45.4 Ų | 45.4 | 85% | 0.845 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.7 | -7.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | S236 | S236-G238 PolarHBondContact O-N 3.16Å; S236-G238 VanDerWaalsContact O-N 3.13Å |
| 239 | E | 73.9 | Confident | 87.7 | Confident | 41 Ų | 41 | 48.6 Ų | 48.6 | 19% | 0.192 | 28% | 0.28 | C | S | . | . | trans | -72.5 | 139.6 | 172.7 | -70.2 | -168.8 | 114.3 | 0 | 0 | 111.7 | R166 V235 S236 | R166-E239 IonicContact NH2-OE1 2.79Å; R166-E239 PolarHBondContact NH2-OE1 3.14Å; V235-E239 HydrophobicContact CG1-CB 3.76Å; S236-E239 PolarHBondContact N-OE2 3.18Å; S236-E239 PolarHBondContact O-N 2.9Å; S236-E239 VanDerWaalsContact O-N 3.1Å | ||
| 240 | A | 82.5 | Confident | 87.6 | Confident | 49 Ų | 49 | 51.5 Ų | 51.5 | 41% | 0.405 | 30% | 0.295 | S | S | . | . | trans | -61.5 | 136.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | E242 K243 | A240-E242 WeakPolarHBondContact CB-OE2 3.43Å; A240-E242 PolarHBondContact O-N 2.81Å; A240-E242 VanDerWaalsContact O-N 3.08Å; A240-K243 PolarHBondContact O-N 3.06Å | ||
| 241 | K | 83.5 | Confident | 87.5 | Confident | 96 Ų | 96 | 51.5 Ų | 51.5 | 42% | 0.417 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -56.8 | -30.3 | -175.2 | -164.8 | -169.3 | -179 | -133.7 | 0 | 112 | K243 W244 E292 | K241-K243 PolarHBondContact O-N 3.25Å; K241-W244 HydrophobicContact CG-CD2 4.16Å; K241-W244 HydrophobicContact CG-CE3 4.4Å; K241-W244 HydrophobicContact CG-CG 4.47Å; K241-W244 WeakPolarHBondContact O-CB 3.48Å; K241-W244 PolarHBondContact O-N 3.12Å; K241-W244 VanDerWaalsContact O-N 3.11Å; K241-E292 IonicContact NZ-OE1 2.78Å; K241-E292 PolarHBondContact NZ-OE1 2.84Å; K241-E292 IonicContact NZ-OE2 3.14Å |
| 242 | E | 86 | Confident | 87.5 | Confident | 158 Ų | 158 | 57 Ų | 57 | 74% | 0.738 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -61.3 | -24.3 | -179.6 | -59.6 | 71.7 | -154.5 | 0 | 0 | 112.5 | A240 | A240-E242 WeakPolarHBondContact CB-OE2 3.43Å; A240-E242 PolarHBondContact O-N 2.81Å; A240-E242 VanDerWaalsContact O-N 3.08Å |
| 243 | K | 85 | Confident | 87.5 | Confident | 106 Ų | 106 | 62.6 Ų | 62.6 | 46% | 0.461 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -84.3 | -10.5 | 178.7 | -65.7 | -168.1 | 175.3 | -173.8 | 0 | 114.2 | A240 K241 A245 E246 R247 | A240-K243 PolarHBondContact O-N 3.06Å; K241-K243 PolarHBondContact O-N 3.25Å; K243-A245 PolarHBondContact O-N 3.15Å; K243-E246 PolarHBondContact O-N 3.21Å; K243-R247 WeakPolarHBondContact O-CB 3.17Å; K243-R247 VanDerWaalsContact O-CG 3.31Å; K243-R247 WeakPolarHBondContact O-CG 3.4Å; K243-R247 PolarHBondContact O-N 3.12Å |
| 244 | W | 89.1 | Confident | 87.6 | Confident | 34 Ų | 34 | 62.8 Ų | 62.8 | 13% | 0.129 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66 | -43.4 | -170 | -69.6 | 22.7 | 0 | 0 | 0 | 112.1 | V235 K241 E246 R247 I248 L285 M289 F293 | V235-W244 HydrophobicContact CG1-CG 4.31Å; V235-W244 VanDerWaalsContact CG1-NE1 3.29Å; V235-W244 HydrophobicContact CG2-CB 4.47Å; V235-W244 HydrophobicContact CG2-CG 4.16Å; K241-W244 HydrophobicContact CG-CD2 4.16Å; K241-W244 HydrophobicContact CG-CE3 4.4Å; K241-W244 HydrophobicContact CG-CG 4.47Å; K241-W244 WeakPolarHBondContact O-CB 3.48Å; K241-W244 PolarHBondContact O-N 3.12Å; K241-W244 VanDerWaalsContact O-N 3.11Å; W244-E246 PolarHBondContact O-N 2.95Å; W244-R247 PolarHBondContact O-N 2.98Å; W244-I248 WeakPolarHBondContact O-CB 3.48Å; W244-I248 VanDerWaalsContact O-CG1 3.27Å; W244-I248 WeakPolarHBondContact O-CG1 3.39Å; W244-I248 PolarHBondContact O-N 2.85Å; W244-L285 HydrophobicContact CH2-CD1 3.52Å; W244-L285 HydrophobicContact CH2-CD2 3.73Å; W244-L285 HydrophobicContact CH2-CG 4Å; W244-L285 HydrophobicContact CZ3-CD1 3.83Å; W244-L285 HydrophobicContact CZ3-CD2 4.47Å; W244-L285 HydrophobicContact CZ3-CG 4.34Å; W244-M289 HydrophobicContact CE3-CG 3.97Å; W244-M289 HydrophobicContact CE3-SD 3.66Å; W244-M289 HydrophobicContact CH2-SD 4.02Å; W244-M289 HydrophobicContact CZ3-CG 3.57Å; W244-M289 HydrophobicContact CZ3-SD 3.34Å; W244-M289 WeakPolarHBondContact CZ3-SD 3.17Å; W244-F293 HydrophobicContact CB-CZ 4.36Å |
| 245 | A | 91.5 | Very high | 87.8 | Confident | 54 Ų | 54 | 64.3 Ų | 64.3 | 45% | 0.446 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.6 | -43.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K243 A249 F293 | K243-A245 PolarHBondContact O-N 3.15Å; A245-A249 VanDerWaalsContact O-CB 3.3Å; A245-A249 WeakPolarHBondContact O-CB 3.3Å; A245-A249 PolarHBondContact O-N 3.12Å; A245-F293 HydrophobicContact CB-CE1 3.79Å; A245-F293 HydrophobicContact CB-CZ 4.31Å |
| 246 | E | 92.3 | Very high | 88.5 | Confident | 127 Ų | 127 | 63.4 Ų | 63.4 | 59% | 0.593 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -64.5 | -46.7 | 176.4 | -175.1 | -171.6 | 157 | 0 | 0 | 111.3 | K243 W244 A249 L250 | K243-E246 PolarHBondContact O-N 3.21Å; W244-E246 PolarHBondContact O-N 2.95Å; E246-A249 PolarHBondContact O-N 2.78Å; E246-L250 HydrophobicContact CG-CD1 4.27Å; E246-L250 WeakPolarHBondContact O-CG 3.35Å; E246-L250 PolarHBondContact O-N 3.33Å |
| 247 | R | 92 | Very high | 89.7 | Confident | 26 Ų | 26 | 63.9 Ų | 63.9 | 10% | 0.098 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.3 | -48.9 | 178.5 | -76.6 | -79.7 | 160 | 155.3 | -20 | 112.2 | D164 V235 K243 W244 A249 L250 L251 | D164-R247 IonicContact OD1-CZ 3.44Å; D164-R247 IonicContact OD1-NH1 3.83Å; D164-R247 PolarHBondContact OD1-NH1 3.29Å; D164-R247 IonicContact OD2-NH1 2.82Å; D164-R247 PolarHBondContact OD2-NH1 2.92Å; V235-R247 HydrophobicContact CG2-CB 3.86Å; V235-R247 HydrophobicContact CG2-CG 4.3Å; K243-R247 WeakPolarHBondContact O-CB 3.17Å; K243-R247 VanDerWaalsContact O-CG 3.31Å; K243-R247 WeakPolarHBondContact O-CG 3.4Å; K243-R247 PolarHBondContact O-N 3.12Å; W244-R247 PolarHBondContact O-N 2.98Å; R247-A249 VanDerWaalsContact C-N 3.34Å; R247-A249 PolarHBondContact O-N 3.02Å; R247-L250 PolarHBondContact O-N 3.34Å; R247-L251 HydrophobicContact CB-CD1 4.49Å; R247-L251 VanDerWaalsContact O-CB 3.27Å; R247-L251 WeakPolarHBondContact O-CB 3.32Å; R247-L251 WeakPolarHBondContact O-CG 3.24Å; R247-L251 PolarHBondContact O-N 3.3Å |
| 248 | I | 94.6 | Very high | 91.3 | Very high | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 178.7 | -70.5 | 167.9 | 0 | 0 | 0 | 110.6 | W234 W244 L250 L251 R252 F293 L295 M299 | W234-I248 HydrophobicContact CE3-CG1 4.07Å; W234-I248 HydrophobicContact CZ3-CG1 4.49Å; W234-I248 HydrophobicContact CZ3-CG2 4.35Å; W244-I248 WeakPolarHBondContact O-CB 3.48Å; W244-I248 VanDerWaalsContact O-CG1 3.27Å; W244-I248 WeakPolarHBondContact O-CG1 3.39Å; W244-I248 PolarHBondContact O-N 2.85Å; I248-L250 VanDerWaalsContact C-N 3.29Å; I248-L250 PolarHBondContact O-N 3.44Å; I248-L251 PolarHBondContact O-N 2.81Å; I248-R252 VanDerWaalsContact O-CB 3.25Å; I248-R252 WeakPolarHBondContact O-CB 3.5Å; I248-R252 WeakPolarHBondContact O-CG 3.34Å; I248-R252 PolarHBondContact O-N 2.91Å; I248-F293 HydrophobicContact CD1-CB 4.13Å; I248-F293 HydrophobicContact CD1-CD1 3.87Å; I248-F293 HydrophobicContact CD1-CD2 3.33Å; I248-F293 HydrophobicContact CD1-CE1 4.11Å; I248-F293 HydrophobicContact CD1-CE2 3.59Å; I248-F293 HydrophobicContact CD1-CG 3.48Å; I248-F293 VanDerWaalsContact CD1-CG 3.48Å; I248-F293 HydrophobicContact CD1-CZ 3.98Å; I248-F293 HydrophobicContact CG2-CB 4.11Å; I248-F293 HydrophobicContact CG2-CD1 4.28Å; I248-F293 HydrophobicContact CG2-CG 4.27Å; I248-L295 HydrophobicContact CD1-CD1 4.42Å; I248-L295 HydrophobicContact CG2-CD1 3.87Å; I248-M299 HydrophobicContact CD1-CE 4.14Å; I248-M299 HydrophobicContact CG1-CE 4.38Å |
| 249 | A | 95.6 | Very high | 92.8 | Very high | 67 Ų | 67 | 64 Ų | 64 | 55% | 0.554 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -61.1 | -38 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A245 E246 R247 | A245-A249 VanDerWaalsContact O-CB 3.3Å; A245-A249 WeakPolarHBondContact O-CB 3.3Å; A245-A249 PolarHBondContact O-N 3.12Å; E246-A249 PolarHBondContact O-N 2.78Å; R247-A249 VanDerWaalsContact C-N 3.34Å; R247-A249 PolarHBondContact O-N 3.02Å |
| 250 | L | 96 | Very high | 94 | Very high | 62 Ų | 62 | 62.2 Ų | 62.2 | 33% | 0.325 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -74.6 | -34.9 | 177.5 | -73.6 | 170.4 | 0 | 0 | 0 | 113.6 | P189 A191 E246 R247 I248 | P189-L250 HydrophobicContact CG-CB 4.37Å; A191-L250 HydrophobicContact CB-CD1 4.4Å; E246-L250 HydrophobicContact CG-CD1 4.27Å; E246-L250 WeakPolarHBondContact O-CG 3.35Å; E246-L250 PolarHBondContact O-N 3.33Å; R247-L250 PolarHBondContact O-N 3.34Å; I248-L250 VanDerWaalsContact C-N 3.29Å; I248-L250 PolarHBondContact O-N 3.44Å |
| 251 | L | 98 | Very high | 94.7 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -105.6 | -14 | -164.7 | -65.7 | 168.5 | 0 | 0 | 0 | 114.2 | G163 D164 P189 C192 W234 R247 I248 D253 Y254 | G163-L251 VanDerWaalsContact C-CD2 3.43Å; G163-L251 WeakPolarHBondContact O-CD2 3.48Å; D164-L251 HydrophobicContact CB-CD1 3.93Å; P189-L251 HydrophobicContact CG-CD2 3.78Å; C192-L251 HydrophobicContact CB-CD2 4.42Å; W234-L251 HydrophobicContact CB-CB 4.27Å; W234-L251 HydrophobicContact CB-CD1 3.58Å; W234-L251 HydrophobicContact CD2-CB 3.71Å; W234-L251 HydrophobicContact CE3-CB 4.33Å; W234-L251 HydrophobicContact CG-CB 3.67Å; W234-L251 HydrophobicContact CG-CD1 3.78Å; W234-L251 HydrophobicContact CG-CG 4.35Å; W234-L251 WeakPolarHBondContact CZ2-O 3.31Å; R247-L251 HydrophobicContact CB-CD1 4.49Å; R247-L251 VanDerWaalsContact O-CB 3.27Å; R247-L251 WeakPolarHBondContact O-CB 3.32Å; R247-L251 WeakPolarHBondContact O-CG 3.24Å; R247-L251 PolarHBondContact O-N 3.3Å; I248-L251 PolarHBondContact O-N 2.81Å; L251-D253 PolarHBondContact O-N 2.91Å; L251-D253 VanDerWaalsContact O-N 3.16Å; L251-Y254 WeakPolarHBondContact O-CA 3.48Å; L251-Y254 WeakPolarHBondContact O-CB 3.48Å; L251-Y254 PolarHBondContact O-N 3.39Å |
| 252 | R | 97.6 | Very high | 95.5 | Very high | 115 Ų | 115 | 63.3 Ų | 63.3 | 43% | 0.434 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -57.3 | -32.1 | -178.4 | 65.7 | -175.9 | -62.3 | 146.8 | 8.7 | 114.6 | W234 I248 Y254 Q255 | W234-R252 VanDerWaalsContact CH2-CA 3.48Å; W234-R252 HydrophobicContact CH2-CB 4.12Å; W234-R252 HydrophobicContact CZ3-CB 4.31Å; I248-R252 VanDerWaalsContact O-CB 3.25Å; I248-R252 WeakPolarHBondContact O-CB 3.5Å; I248-R252 WeakPolarHBondContact O-CG 3.34Å; I248-R252 PolarHBondContact O-N 2.91Å; R252-Y254 PolarHBondContact O-N 3.44Å; R252-Q255 PolarHBondContact O-N 3.05Å |
| 253 | D | 98.1 | Very high | 96.1 | Very high | 130 Ų | 130 | 59.1 Ų | 59.1 | 70% | 0.695 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -75.9 | -7.7 | 178.1 | -67.8 | -14.2 | 0 | 0 | 0 | 112.9 | L251 | L251-D253 PolarHBondContact O-N 2.91Å; L251-D253 VanDerWaalsContact O-N 3.16Å |
| 254 | Y | 98.7 | Very high | 96.7 | Very high | 19 Ų | 19 | 54.3 Ų | 54.3 | 8% | 0.075 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -105.9 | 13.1 | 177.1 | -61 | -96.7 | 0 | 0 | 0 | 112.4 | V187 P189 E217 V219 L251 R252 V256 | V187-Y254 HydrophobicContact CG1-CD1 4.1Å; V187-Y254 HydrophobicContact CG1-CE1 4.12Å; V187-Y254 VanDerWaalsContact O-CD1 3.23Å; V187-Y254 WeakPolarHBondContact O-CD1 3.46Å; P189-Y254 WeakPolarHBondContact CA-OH 3.37Å; P189-Y254 HydrophobicContact CB-CE2 4.04Å; P189-Y254 VanDerWaalsContact CD-CE2 3.47Å; P189-Y254 HydrophobicContact CG-CD2 4.5Å; P189-Y254 HydrophobicContact CG-CE2 4.03Å; E217-Y254 WeakPolarHBondContact CA-OH 3.47Å; E217-Y254 WeakPolarHBondContact CB-OH 3.5Å; E217-Y254 PolarHBondContact O-OH 3.21Å; V219-Y254 HydrophobicContact CG2-CD1 3.94Å; V219-Y254 HydrophobicContact CG2-CE1 4.01Å; L251-Y254 WeakPolarHBondContact O-CA 3.48Å; L251-Y254 WeakPolarHBondContact O-CB 3.48Å; L251-Y254 PolarHBondContact O-N 3.39Å; R252-Y254 PolarHBondContact O-N 3.44Å; Y254-V256 PolarHBondContact O-N 3.48Å |
| 255 | Q | 98.8 | Very high | 97.2 | Very high | 34 Ų | 34 | 55.9 Ų | 55.9 | 16% | 0.159 | 30% | 0.304 | C | S | . | . | trans | -57.6 | 129.3 | 172 | 173.3 | 179.9 | 80.8 | 0 | 0 | 110.6 | W234 R252 N257 M260 G298 M299 T302 | W234-Q255 HydrophobicContact CH2-CB 4.32Å; W234-Q255 HydrophobicContact CZ2-CB 3.96Å; R252-Q255 PolarHBondContact O-N 3.05Å; Q255-N257 HydrophobicContact CG-CB 4.4Å; Q255-N257 PolarHBondContact O-N 2.75Å; Q255-N257 VanDerWaalsContact O-N 3.11Å; Q255-N257 PolarHBondContact O-ND2 2.81Å; Q255-M260 WeakPolarHBondContact O-CE 3.38Å; Q255-G298 PolarHBondContact NE2-O 2.8Å; Q255-M299 WeakPolarHBondContact CG-O 3.45Å; Q255-M299 PolarHBondContact NE2-O 2.95Å; Q255-T302 HydrophobicContact CG-CG2 4.23Å | ||
| 256 | V | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | B | Isolated β-bridge | trans | -73.7 | 105.2 | 170.6 | -174.5 | 0 | 0 | 0 | 0 | 108.8 | A162 I229 T231 Y254 M260 M261 F271 E300 V301 T302 V305 | A162-V256 HydrophobicContact CB-CG2 4.02Å; I229-V256 HydrophobicContact CG2-CB 4.46Å; I229-V256 HydrophobicContact CG2-CG1 3.82Å; I229-V256 HydrophobicContact CG2-CG2 3.73Å; T231-V256 HydrophobicContact CG2-CB 4.37Å; T231-V256 HydrophobicContact CG2-CG2 3.8Å; Y254-V256 PolarHBondContact O-N 3.48Å; V256-M260 HydrophobicContact CB-SD 4.33Å; V256-M260 HydrophobicContact CG1-SD 4.45Å; V256-M260 HydrophobicContact CG2-SD 3.89Å; V256-M261 HydrophobicContact CG1-CG 4.42Å; V256-M261 HydrophobicContact CG1-SD 4.03Å; V256-F271 HydrophobicContact CB-CE2 4.02Å; V256-F271 HydrophobicContact CG1-CD2 3.75Å; V256-F271 HydrophobicContact CG1-CE2 3.75Å; V256-F271 HydrophobicContact CG2-CE2 4.18Å; V256-E300 PolarHBondContact N-O 2.85Å; V256-V301 HydrophobicContact CB-CB 4.34Å; V256-V301 HydrophobicContact CB-CG2 4.22Å; V256-V301 HydrophobicContact CG1-CG2 4.48Å; V256-V301 VanDerWaalsContact O-CA 3.29Å; V256-V301 WeakPolarHBondContact O-CA 3.35Å; V256-V301 WeakPolarHBondContact O-CG2 3.18Å; V256-T302 PolarHBondContact O-N 3.09Å; V256-V305 HydrophobicContact CG1-CG1 4.16Å |
| 257 | N | 98.9 | Very high | 97.8 | Very high | 45 Ų | 45 | 54.8 Ų | 54.8 | 24% | 0.241 | 30% | 0.301 | C | S | . | . | trans | -130.5 | 173.6 | 178.3 | 57.3 | 42.6 | 0 | 0 | 0 | 110.2 | Q255 K259 M260 M261 T302 V305 | Q255-N257 HydrophobicContact CG-CB 4.4Å; Q255-N257 PolarHBondContact O-N 2.75Å; Q255-N257 VanDerWaalsContact O-N 3.11Å; Q255-N257 PolarHBondContact O-ND2 2.81Å; N257-K259 PolarHBondContact O-N 2.94Å; N257-K259 VanDerWaalsContact O-N 3.12Å; N257-K259 WeakPolarHBondContact OD1-CB 3.4Å; N257-K259 PolarHBondContact OD1-N 2.75Å; N257-M260 WeakPolarHBondContact O-CB 3.29Å; N257-M260 PolarHBondContact O-N 3.12Å; N257-M260 PolarHBondContact OD1-N 3.46Å; N257-M261 PolarHBondContact O-N 3.14Å; N257-T302 HydrophobicContact CB-CG2 3.59Å; N257-V305 VanDerWaalsContact C-CG2 3.46Å | ||
| 258 | S | 98.7 | Very high | 98.1 | Very high | 28 Ų | 28 | 59.5 Ų | 59.5 | 20% | 0.196 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -55.3 | -32.6 | -178.6 | -65.3 | 0 | 0 | 0 | 0 | 113.5 | M261 Q262 E304 | S258-M261 PolarHBondContact O-N 2.86Å; S258-Q262 WeakPolarHBondContact O-CB 3.33Å; S258-Q262 WeakPolarHBondContact O-CG 3.42Å; S258-Q262 PolarHBondContact O-N 3.29Å; S258-E304 WeakPolarHBondContact CB-OE2 3.21Å; S258-E304 PolarHBondContact OG-OE2 2.96Å |
| 259 | K | 98.7 | Very high | 98.3 | Very high | 150 Ų | 150 | 59.9 Ų | 59.9 | 65% | 0.652 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -66.7 | -44.4 | 174.8 | -179 | -177.3 | 176.9 | -174.4 | 0 | 111.5 | N257 Q262 L263 | N257-K259 PolarHBondContact O-N 2.94Å; N257-K259 VanDerWaalsContact O-N 3.12Å; N257-K259 WeakPolarHBondContact OD1-CB 3.4Å; N257-K259 PolarHBondContact OD1-N 2.75Å; K259-Q262 PolarHBondContact O-N 3.24Å; K259-L263 HydrophobicContact CG-CD1 4.45Å; K259-L263 WeakPolarHBondContact O-CG 3.34Å; K259-L263 PolarHBondContact O-N 2.86Å |
| 260 | M | 98.9 | Very high | 98.5 | Very high | 5 Ų | 5 | 58.6 Ų | 58.6 | 3% | 0.025 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 175.7 | -173.1 | -177.2 | -74.7 | 0 | 0 | 111.4 | A162 V219 V223 I229 Q255 V256 N257 Q262 L263 | A162-M260 HydrophobicContact CB-CE 4.24Å; A162-M260 HydrophobicContact CB-SD 4.05Å; V219-M260 HydrophobicContact CG1-CE 3.82Å; V219-M260 HydrophobicContact CG1-CG 4.18Å; V219-M260 HydrophobicContact CG2-CE 4.49Å; V223-M260 HydrophobicContact CG1-CG 3.9Å; V223-M260 HydrophobicContact CG1-SD 4.29Å; I229-M260 HydrophobicContact CD1-CG 4.04Å; I229-M260 HydrophobicContact CD1-SD 4.43Å; I229-M260 HydrophobicContact CG2-SD 4.34Å; Q255-M260 WeakPolarHBondContact O-CE 3.38Å; V256-M260 HydrophobicContact CB-SD 4.33Å; V256-M260 HydrophobicContact CG1-SD 4.45Å; V256-M260 HydrophobicContact CG2-SD 3.89Å; N257-M260 WeakPolarHBondContact O-CB 3.29Å; N257-M260 PolarHBondContact O-N 3.12Å; N257-M260 PolarHBondContact OD1-N 3.46Å; M260-Q262 VanDerWaalsContact C-N 3.31Å; M260-Q262 PolarHBondContact O-N 3.13Å; M260-L263 PolarHBondContact O-N 3.44Å |
| 261 | M | 98.9 | Very high | 98.6 | Very high | 19 Ų | 19 | 55.6 Ų | 55.6 | 9% | 0.094 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.2 | -41.9 | 176 | -64 | -64.2 | -77.7 | 0 | 0 | 111.6 | I229 V256 N257 S258 T264 V269 F271 V305 A310 | I229-M261 HydrophobicContact CB-SD 4.16Å; I229-M261 HydrophobicContact CD1-SD 3.82Å; I229-M261 HydrophobicContact CG1-SD 4.35Å; V256-M261 HydrophobicContact CG1-CG 4.42Å; V256-M261 HydrophobicContact CG1-SD 4.03Å; N257-M261 PolarHBondContact O-N 3.14Å; S258-M261 PolarHBondContact O-N 2.86Å; M261-T264 WeakPolarHBondContact O-CB 3.11Å; M261-T264 VanDerWaalsContact O-CG2 3.24Å; M261-T264 WeakPolarHBondContact O-CG2 3.11Å; M261-T264 PolarHBondContact O-N 3.24Å; M261-T264 PolarHBondContact O-OG1 2.98Å; M261-V269 HydrophobicContact CE-CG1 3.73Å; M261-V269 HydrophobicContact CE-CG2 4.3Å; M261-F271 HydrophobicContact CE-CB 3.99Å; M261-V305 HydrophobicContact CE-CG1 4.48Å; M261-V305 HydrophobicContact CG-CG1 4.09Å; M261-V305 HydrophobicContact CG-CG2 3.97Å; M261-V305 HydrophobicContact SD-CG1 4.27Å; M261-A310 HydrophobicContact CE-CB 3.89Å |
| 262 | Q | 98.8 | Very high | 98.7 | Very high | 148 Ų | 148 | 55.6 Ų | 55.6 | 69% | 0.692 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -67.4 | -35.5 | 176.6 | -73.7 | 167 | 12.6 | 0 | 0 | 113.5 | S258 K259 M260 T264 G265 | S258-Q262 WeakPolarHBondContact O-CB 3.33Å; S258-Q262 WeakPolarHBondContact O-CG 3.42Å; S258-Q262 PolarHBondContact O-N 3.29Å; K259-Q262 PolarHBondContact O-N 3.24Å; M260-Q262 VanDerWaalsContact C-N 3.31Å; M260-Q262 PolarHBondContact O-N 3.13Å; Q262-T264 PolarHBondContact O-N 3.1Å; Q262-T264 VanDerWaalsContact O-N 3.12Å; Q262-G265 PolarHBondContact O-N 3.31Å |
| 263 | L | 98.8 | Very high | 98.7 | Very high | 71 Ų | 71 | 50.2 Ų | 50.2 | 37% | 0.372 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.7 | -16.7 | 179 | -79 | 171.6 | 0 | 0 | 0 | 113.3 | V219 A220 V223 K259 M260 G265 | V219-L263 HydrophobicContact CG1-CD1 4.32Å; A220-L263 HydrophobicContact CB-CD2 4.41Å; V223-L263 HydrophobicContact CG2-CB 3.54Å; K259-L263 HydrophobicContact CG-CD1 4.45Å; K259-L263 WeakPolarHBondContact O-CG 3.34Å; K259-L263 PolarHBondContact O-N 2.86Å; M260-L263 PolarHBondContact O-N 3.44Å; L263-G265 PolarHBondContact O-N 3.01Å |
| 264 | T | 98.8 | Very high | 98.7 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 3% | 0.025 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -27.9 | 172.9 | 68.9 | 0 | 0 | 0 | 0 | 112.2 | V223 G225 A226 I229 M261 Q262 N266 V269 | V223-T264 HydrophobicContact CB-CG2 4.14Å; V223-T264 HydrophobicContact CG2-CG2 4.25Å; V223-T264 VanDerWaalsContact O-CA 3.32Å; V223-T264 WeakPolarHBondContact O-CA 3.34Å; V223-T264 WeakPolarHBondContact O-CG2 3.33Å; G225-T264 WeakPolarHBondContact CA-O 3.46Å; G225-T264 PolarHBondContact N-O 3.11Å; A226-T264 HydrophobicContact CB-CG2 4.14Å; I229-T264 HydrophobicContact CD1-CG2 3.53Å; I229-T264 HydrophobicContact CG1-CG2 4.19Å; M261-T264 WeakPolarHBondContact O-CB 3.11Å; M261-T264 VanDerWaalsContact O-CG2 3.24Å; M261-T264 WeakPolarHBondContact O-CG2 3.11Å; M261-T264 PolarHBondContact O-N 3.24Å; M261-T264 PolarHBondContact O-OG1 2.98Å; Q262-T264 PolarHBondContact O-N 3.1Å; Q262-T264 VanDerWaalsContact O-N 3.12Å; T264-N266 PolarHBondContact O-N 3.47Å; T264-N266 VanDerWaalsContact O-N 3.12Å; T264-N266 PolarHBondContact OG1-N 3.37Å; T264-N266 VanDerWaalsContact OG1-N 3.08Å; T264-N266 PolarHBondContact OG1-O 3.19Å; T264-V269 HydrophobicContact CG2-CB 4.42Å; T264-V269 HydrophobicContact CG2-CG1 4.36Å; T264-V269 HydrophobicContact CG2-CG2 4.12Å |
| 265 | G | 98.7 | Very high | 98.6 | Very high | 68 Ų | 68 | 44.6 Ų | 44.6 | 70% | 0.701 | 24% | 0.244 | S | C | * | . | trans | 65.5 | 3.7 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q262 L263 | Q262-G265 PolarHBondContact O-N 3.31Å; L263-G265 PolarHBondContact O-N 3.01Å | ||
| 266 | N | 98.7 | Very high | 98.5 | Very high | 37 Ų | 37 | 45.8 Ų | 45.8 | 20% | 0.198 | 26% | 0.255 | C | S | . | . | trans | -104.6 | 107.7 | 178.2 | 179.1 | 11.7 | 0 | 0 | 0 | 109.7 | A226 T264 E268 V269 | A226-N266 PolarHBondContact O-ND2 3.03Å; T264-N266 PolarHBondContact O-N 3.47Å; T264-N266 VanDerWaalsContact O-N 3.12Å; T264-N266 PolarHBondContact OG1-N 3.37Å; T264-N266 VanDerWaalsContact OG1-N 3.08Å; T264-N266 PolarHBondContact OG1-O 3.19Å; N266-E268 PolarHBondContact O-N 3.38Å; N266-E268 PolarHBondContact OD1-N 2.94Å; N266-V269 HydrophobicContact CB-CB 4.35Å; N266-V269 VanDerWaalsContact O-CG1 3.28Å; N266-V269 WeakPolarHBondContact O-CG1 3.29Å; N266-V269 PolarHBondContact O-N 3.45Å | ||
| 267 | P | 98.4 | Very high | 98.4 | Very high | 120 Ų | 120 | 46.4 Ų | 46.4 | 78% | 0.779 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -17.5 | 178.7 | 28 | -34.7 | 0 | 0 | 0 | 113.4 | ||
| 268 | E | 98.6 | Very high | 98.3 | Very high | 126 Ų | 126 | 45.9 Ų | 45.9 | 59% | 0.589 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | 4.4 | 179.5 | -64.4 | -57.2 | 140.8 | 0 | 0 | 113.6 | N266 K270 | N266-E268 PolarHBondContact O-N 3.38Å; N266-E268 PolarHBondContact OD1-N 2.94Å; E268-K270 PolarHBondContact O-N 3.42Å; E268-K270 PolarHBondContact O-NZ 3.4Å; E268-K270 IonicContact OE2-NZ 2.75Å; E268-K270 PolarHBondContact OE2-NZ 2.93Å |
| 269 | V | 98.9 | Very high | 98.3 | Very high | 9 Ų | 9 | 45.7 Ų | 45.7 | 6% | 0.055 | 25% | 0.252 | C | S | . | . | trans | -54.6 | 138.1 | 178.6 | 65.3 | 0 | 0 | 0 | 0 | 111 | D227 I229 M261 T264 N266 A310 | D227-V269 WeakPolarHBondContact O-CA 3.13Å; I229-V269 HydrophobicContact CG1-CG2 4.13Å; M261-V269 HydrophobicContact CE-CG1 3.73Å; M261-V269 HydrophobicContact CE-CG2 4.3Å; T264-V269 HydrophobicContact CG2-CB 4.42Å; T264-V269 HydrophobicContact CG2-CG1 4.36Å; T264-V269 HydrophobicContact CG2-CG2 4.12Å; N266-V269 HydrophobicContact CB-CB 4.35Å; N266-V269 VanDerWaalsContact O-CG1 3.28Å; N266-V269 WeakPolarHBondContact O-CG1 3.29Å; N266-V269 PolarHBondContact O-N 3.45Å; V269-A310 WeakPolarHBondContact O-CB 3.48Å | ||
| 270 | K | 98.9 | Very high | 98.3 | Very high | 40 Ų | 40 | 40.2 Ų | 40.2 | 17% | 0.174 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 151.9 | 176.4 | -58.7 | -64.5 | 179.5 | -81.2 | 0 | 111.4 | D227 F228 I229 E268 A310 I312 | D227-K270 PolarHBondContact O-N 3.02Å; F228-K270 WeakPolarHBondContact CA-O 3.36Å; F228-K270 HydrophobicContact CD1-CB 3.78Å; F228-K270 HydrophobicContact CE1-CB 3.91Å; F228-K270 HydrophobicContact CE1-CG 4.32Å; I229-K270 PolarHBondContact N-O 2.98Å; E268-K270 PolarHBondContact O-N 3.42Å; E268-K270 PolarHBondContact O-NZ 3.4Å; E268-K270 IonicContact OE2-NZ 2.75Å; E268-K270 PolarHBondContact OE2-NZ 2.93Å; K270-A310 CarbonylContact C-O 3.41Å; K270-A310 VanDerWaalsContact CA-O 3.3Å; K270-A310 WeakPolarHBondContact CA-O 3.39Å; K270-A310 WeakPolarHBondContact CD-O 3.19Å; K270-I312 HydrophobicContact CB-CD1 3.73Å; K270-I312 HydrophobicContact CB-CG1 4.13Å; K270-I312 HydrophobicContact CD-CG2 4.1Å; K270-I312 HydrophobicContact CG-CD1 4.25Å; K270-I312 HydrophobicContact CG-CG2 4.5Å |
| 271 | F | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 131.5 | 179.7 | 174.6 | -108.5 | 0 | 0 | 0 | 111.3 | I229 T231 V256 M261 H273 V301 V305 F306 A310 I312 V313 | I229-F271 WeakPolarHBondContact O-CA 3.3Å; I229-F271 WeakPolarHBondContact O-CD2 3.4Å; T231-F271 HydrophobicContact CG2-CE2 3.73Å; T231-F271 HydrophobicContact CG2-CZ 3.79Å; V256-F271 HydrophobicContact CB-CE2 4.02Å; V256-F271 HydrophobicContact CG1-CD2 3.75Å; V256-F271 HydrophobicContact CG1-CE2 3.75Å; V256-F271 HydrophobicContact CG2-CE2 4.18Å; M261-F271 HydrophobicContact CE-CB 3.99Å; F271-H273 HydrophobicContact CE1-CB 4.04Å; F271-H273 HydrophobicContact CZ-CB 3.87Å; F271-V301 HydrophobicContact CD1-CG2 4.45Å; F271-V301 HydrophobicContact CE1-CB 4.32Å; F271-V301 HydrophobicContact CE1-CG1 4.34Å; F271-V301 HydrophobicContact CE1-CG2 3.72Å; F271-V301 HydrophobicContact CE2-CB 4.31Å; F271-V301 HydrophobicContact CE2-CG2 3.93Å; F271-V301 HydrophobicContact CZ-CB 3.69Å; F271-V301 HydrophobicContact CZ-CG1 3.98Å; F271-V301 HydrophobicContact CZ-CG2 3.41Å; F271-V301 VanDerWaalsContact CZ-CG2 3.41Å; F271-V305 HydrophobicContact CB-CG1 4.06Å; F271-V305 HydrophobicContact CD1-CG1 4.11Å; F271-V305 HydrophobicContact CD2-CG1 4.16Å; F271-V305 HydrophobicContact CG-CG1 3.82Å; F271-F306 HydrophobicContact CE1-CD2 4.16Å; F271-A310 PolarHBondContact N-O 3.11Å; F271-I312 WeakPolarHBondContact O-CG1 3.33Å; F271-I312 PolarHBondContact O-N 2.92Å; F271-I312 VanDerWaalsContact O-N 3.08Å; F271-V313 HydrophobicContact CD1-CG1 3.92Å; F271-V313 HydrophobicContact CE1-CG1 3.85Å |
| 272 | L | 99 | Very high | 98.1 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 147 | 178.9 | -70 | 167.5 | 0 | 0 | 0 | 111 | T144 M145 F228 I229 Y230 T231 I312 Q316 | T144-L272 HydrophobicContact CG2-CD2 4.09Å; M145-L272 HydrophobicContact CG-CD1 4.03Å; M145-L272 HydrophobicContact SD-CD1 4.45Å; F228-L272 HydrophobicContact CB-CD1 4.06Å; F228-L272 HydrophobicContact CD1-CD1 3.79Å; F228-L272 HydrophobicContact CD1-CG 4.28Å; F228-L272 HydrophobicContact CG-CD1 4.07Å; I229-L272 PolarHBondContact O-N 3.39Å; Y230-L272 WeakPolarHBondContact CA-O 3.42Å; Y230-L272 HydrophobicContact CD2-CB 3.3Å; Y230-L272 HydrophobicContact CD2-CD1 4.05Å; Y230-L272 HydrophobicContact CD2-CG 4.3Å; Y230-L272 HydrophobicContact CE2-CB 3.78Å; Y230-L272 HydrophobicContact CG-CB 3.98Å; T231-L272 PolarHBondContact N-O 3.28Å; L272-I312 HydrophobicContact CD2-CD1 3.79Å; L272-I312 HydrophobicContact CD2-CG1 3.68Å; L272-I312 HydrophobicContact CG-CD1 4.3Å; L272-I312 HydrophobicContact CG-CG1 4.27Å; L272-Q316 HydrophobicContact CD2-CB 3.98Å; L272-Q316 HydrophobicContact CD2-CG 3.97Å |
| 273 | H | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 132.9 | 175.4 | -166.8 | -43.1 | 0 | 0 | 0 | 109.6 | D232 F271 L275 P276 E300 V313 Q316 | D232-H273 IonicContact OD1-CE1 3.15Å; D232-H273 PolarHBondContact OD1-CE1 2.74Å; F271-H273 HydrophobicContact CE1-CB 4.04Å; F271-H273 HydrophobicContact CZ-CB 3.87Å; H273-L275 PolarHBondContact ND1-N 2.91Å; H273-L275 VanDerWaalsContact ND1-N 3.16Å; H273-L275 PolarHBondContact O-N 2.9Å; H273-P276 PolarHBondContact CE1-O 2.82Å; H273-E300 WeakPolarHBondContact NE2-CG 3.39Å; H273-E300 IonicContact NE2-OE1 2.65Å; H273-E300 PolarHBondContact NE2-OE1 2.87Å; H273-V313 HydrophobicContact CB-CG1 3.89Å; H273-Q316 PolarHBondContact O-OE1 2.92Å |
| 274 | C | 97.3 | Very high | 97.6 | Very high | 9 Ų | 9 | 47.8 Ų | 47.8 | 6% | 0.061 | 28% | 0.278 | C | S | . | . | trans | -63.3 | -17.5 | -176.4 | 49.4 | 0 | 0 | 0 | 0 | 114.8 | R58 Q137 M169 Y230 D232 | R58-C274 PolarHBondContact NE-O 2.87Å; Q137-C274 HydrophobicContact CG-CB 3.93Å; M169-C274 HydrophobicContact SD-CB 4.48Å; Y230-C274 VanDerWaalsContact OH-CA 3.24Å; Y230-C274 WeakPolarHBondContact OH-CA 3.3Å; Y230-C274 WeakPolarHBondContact OH-CB 3.34Å; Y230-C274 PolarHBondContact OH-N 2.82Å; D232-C274 PolarHBondContact OD1-SG 3.09Å; D232-C274 PolarHBondContact OD2-SG 3.26Å | ||
| 275 | L | 97.3 | Very high | 97.2 | Very high | 22 Ų | 22 | 50.9 Ų | 50.9 | 12% | 0.115 | 29% | 0.294 | C | S | . | . | S | Bend | trans | 58.1 | 151.6 | -167.3 | -54.2 | 175.6 | 0 | 0 | 0 | 113.6 | R58 H273 A277 F306 V313 F314 A317 | R58-L275 PolarHBondContact NE-O 3.05Å; R58-L275 VanDerWaalsContact NE-O 3.16Å; R58-L275 PolarHBondContact NH2-O 3.48Å; H273-L275 PolarHBondContact ND1-N 2.91Å; H273-L275 VanDerWaalsContact ND1-N 3.16Å; H273-L275 PolarHBondContact O-N 2.9Å; L275-A277 HydrophobicContact CD2-CB 4.06Å; L275-F306 HydrophobicContact CD2-CE2 3.58Å; L275-F306 HydrophobicContact CD2-CZ 3.67Å; L275-V313 HydrophobicContact CD2-CB 4.44Å; L275-F314 HydrophobicContact CD1-CE1 4.36Å; L275-A317 HydrophobicContact CD1-CB 4.19Å |
| 276 | P | 95.5 | Very high | 96.9 | Very high | 60 Ų | 60 | 47.7 Ų | 47.7 | 39% | 0.39 | 26% | 0.261 | S | S | . | . | cis | -71.9 | 156.9 | 0.9 | 35.1 | -32.3 | 0 | 0 | 0 | 110.7 | V233 H273 | V233-P276 WeakPolarHBondContact CG1-O 3.28Å; H273-P276 PolarHBondContact CE1-O 2.82Å | ||
| 277 | A | 97 | Very high | 96.8 | Very high | 12 Ų | 12 | 50.9 Ų | 50.9 | 10% | 0.099 | 27% | 0.273 | C | S | . | . | trans | -119.6 | 144 | 174.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | L275 H279 E300 V301 F306 | L275-A277 HydrophobicContact CD2-CB 4.06Å; A277-H279 PolarHBondContact O-N 2.95Å; A277-E300 WeakPolarHBondContact CA-OE1 3.42Å; A277-E300 WeakPolarHBondContact CB-OE1 3.41Å; A277-V301 HydrophobicContact CB-CG1 4.32Å; A277-F306 HydrophobicContact CB-CD2 4.08Å; A277-F306 HydrophobicContact CB-CE2 3.62Å; A277-F306 HydrophobicContact CB-CZ 4.45Å | ||
| 278 | F | 97 | Very high | 96.5 | Very high | 35 Ų | 35 | 49.8 Ų | 49.8 | 15% | 0.154 | 26% | 0.256 | C | S | . | . | trans | -95.8 | 67.9 | 168.8 | -62.1 | -64.9 | 0 | 0 | 0 | 109 | V233 L285 M289 G298 M299 E300 | V233-F278 HydrophobicContact CB-CD2 4.39Å; V233-F278 HydrophobicContact CB-CE2 4.36Å; V233-F278 HydrophobicContact CG1-CD2 3.74Å; V233-F278 HydrophobicContact CG1-CE2 3.82Å; F278-L285 HydrophobicContact CE1-CB 4.2Å; F278-L285 HydrophobicContact CE1-CD2 4.27Å; F278-L285 HydrophobicContact CE1-CG 4.5Å; F278-L285 HydrophobicContact CZ-CD2 3.83Å; F278-L285 HydrophobicContact CZ-CG 4.49Å; F278-M289 HydrophobicContact CD1-CE 3.79Å; F278-M289 HydrophobicContact CD2-CE 3.57Å; F278-M289 HydrophobicContact CE1-CE 3.77Å; F278-M289 HydrophobicContact CE2-CE 3.53Å; F278-M289 HydrophobicContact CG-CE 3.7Å; F278-M289 HydrophobicContact CZ-CE 3.65Å; F278-G298 CarbonylContact O-C 3.58Å; F278-G298 WeakPolarHBondContact O-CA 3.44Å; F278-M299 HydrophobicContact CB-CB 4Å; F278-M299 HydrophobicContact CB-CG 3.95Å; F278-M299 HydrophobicContact CB-SD 3.77Å; F278-M299 HydrophobicContact CD2-SD 4.29Å; F278-M299 HydrophobicContact CG-SD 4.11Å; F278-M299 PolarHBondContact O-N 2.84Å; F278-E300 PolarHBondContact N-OE1 3.44Å | ||
| 279 | H | 98.5 | Very high | 96.2 | Very high | 24 Ų | 24 | 44 Ų | 44 | 11% | 0.111 | 23% | 0.229 | C | C | . | . | trans | -88.4 | -16.2 | -179.9 | 67.5 | 98.3 | 0 | 0 | 0 | 113.4 | A277 G297 G298 V301 D303 F306 E307 | A277-H279 PolarHBondContact O-N 2.95Å; H279-G297 CarbonylContact O-C 3.2Å; H279-G297 VanDerWaalsContact O-C 3.26Å; H279-G298 WeakPolarHBondContact O-CA 3.35Å; H279-G298 PolarHBondContact O-N 2.86Å; H279-V301 WeakPolarHBondContact CA-O 3.17Å; H279-V301 HydrophobicContact CB-CG1 3.94Å; H279-D303 IonicContact CE1-OD1 3.84Å; H279-D303 PolarHBondContact CE1-OD1 2.87Å; H279-D303 IonicContact CG-OD1 2.57Å; H279-D303 IonicContact ND1-OD1 3.72Å; H279-D303 PolarHBondContact ND1-OD1 2.79Å; H279-D303 WeakPolarHBondContact O-CA 3.47Å; H279-D303 VanDerWaalsContact O-CB 3.32Å; H279-D303 WeakPolarHBondContact O-CB 3.21Å; H279-D303 PolarHBondContact O-N 2.73Å; H279-D303 VanDerWaalsContact O-N 3.13Å; H279-F306 HydrophobicContact CB-CB 3.69Å; H279-F306 HydrophobicContact CB-CD1 4.33Å; H279-F306 HydrophobicContact CB-CD2 3.99Å; H279-F306 HydrophobicContact CB-CG 3.74Å; H279-F306 AromaticContact CD2-CD1 3.65Å; H279-F306 AromaticContact CD2-CD2 3.96Å; H279-F306 AromaticContact CD2-CE1 3.66Å; H279-F306 AromaticContact CD2-CE2 3.97Å; H279-F306 AromaticContact CD2-CG 3.8Å; H279-F306 AromaticContact CD2-CZ 3.83Å; H279-F306 AromaticContact CE1-CD1 3.45Å; H279-F306 VanDerWaalsContact CE1-CD1 3.45Å; H279-F306 WeakPolarHBondContact CE1-CD1 3.36Å; H279-F306 AromaticContact CE1-CE1 3.67Å; H279-F306 AromaticContact CG-CD1 3.58Å; H279-F306 AromaticContact CG-CD2 3.95Å; H279-F306 AromaticContact CG-CG 3.5Å; H279-F306 VanDerWaalsContact CG-CG 3.5Å; H279-F306 AromaticContact ND1-CD1 3.45Å; H279-F306 WeakPolarHBondContact ND1-CD1 3.41Å; H279-F306 AromaticContact ND1-CG 3.75Å; H279-F306 AromaticContact NE2-CD1 3.59Å; H279-F306 AromaticContact NE2-CE1 3.39Å; H279-F306 WeakPolarHBondContact NE2-CE1 3.49Å; H279-F306 AromaticContact NE2-CZ 3.89Å; H279-E307 IonicContact CE1-OE1 2.83Å | ||
| 280 | D | 98 | Very high | 96 | Very high | 34 Ų | 34 | 43.6 Ų | 43.6 | 18% | 0.182 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -143 | -178.9 | -177.2 | 71.9 | 17.7 | 0 | 0 | 0 | 113.5 | Q282 | D280-Q282 VanDerWaalsContact C-N 3.35Å; D280-Q282 HydrophobicContact CB-CG 4.33Å; D280-Q282 WeakPolarHBondContact OD1-CA 3.44Å; D280-Q282 VanDerWaalsContact OD1-CB 3.31Å; D280-Q282 WeakPolarHBondContact OD1-CB 3.31Å; D280-Q282 PolarHBondContact OD1-N 2.89Å; D280-Q282 WeakPolarHBondContact OD2-CB 3.44Å; D280-Q282 WeakPolarHBondContact OD2-CG 3.28Å |
| 281 | D | 97 | Very high | 95.8 | Very high | 45 Ų | 45 | 47.4 Ų | 47.4 | 24% | 0.241 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -94.9 | 19.4 | 177.6 | -61.1 | -2.8 | 0 | 0 | 0 | 112.5 | K287 A290 H296 | D281-K287 HydrophobicContact CB-CB 4.38Å; D281-K287 HydrophobicContact CB-CG 4.46Å; D281-A290 VanDerWaalsContact OD1-CB 3.27Å; D281-A290 WeakPolarHBondContact OD1-CB 3.22Å; D281-H296 IonicContact OD1-ND1 2.77Å; D281-H296 IonicContact OD2-CE1 3.3Å; D281-H296 IonicContact OD2-CG 2.76Å; D281-H296 IonicContact OD2-ND1 2.7Å; D281-H296 PolarHBondContact OD2-ND1 2.89Å |
| 282 | Q | 97.3 | Very high | 95.6 | Very high | 160 Ų | 160 | 52 Ų | 52 | 75% | 0.748 | 27% | 0.267 | S | S | * | . | trans | -93.7 | -0.1 | -174.2 | -56 | -58.6 | -45.8 | 0 | 0 | 113.7 | D280 | D280-Q282 VanDerWaalsContact C-N 3.35Å; D280-Q282 HydrophobicContact CB-CG 4.33Å; D280-Q282 WeakPolarHBondContact OD1-CA 3.44Å; D280-Q282 VanDerWaalsContact OD1-CB 3.31Å; D280-Q282 WeakPolarHBondContact OD1-CB 3.31Å; D280-Q282 PolarHBondContact OD1-N 2.89Å; D280-Q282 WeakPolarHBondContact OD2-CB 3.44Å; D280-Q282 WeakPolarHBondContact OD2-CG 3.28Å | ||
| 283 | T | 94.6 | Very high | 95.4 | Very high | 59 Ų | 59 | 54 Ų | 54 | 36% | 0.362 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -108.6 | 147.2 | 171.9 | 71 | 0 | 0 | 0 | 0 | 111.4 | L285 G286 K287 | T283-L285 PolarHBondContact O-N 3.44Å; T283-G286 PolarHBondContact O-N 2.91Å; T283-G286 WeakPolarHBondContact OG1-CA 3.46Å; T283-G286 PolarHBondContact OG1-N 3.26Å; T283-K287 WeakPolarHBondContact O-CB 3.28Å; T283-K287 PolarHBondContact O-N 3.08Å |
| 284 | T | 92.9 | Very high | 95.3 | Very high | 138 Ų | 138 | 56.4 Ų | 56.4 | 85% | 0.847 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -53.5 | -41.1 | 179.5 | -53.3 | 0 | 0 | 0 | 0 | 112.3 | ||
| 285 | L | 90.9 | Very high | 95.2 | Very high | 69 Ų | 69 | 56.6 Ų | 56.6 | 36% | 0.361 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -83.4 | -41.3 | -178.9 | -168.6 | 69.4 | 0 | 0 | 0 | 112.5 | W244 F278 T283 K288 M289 | W244-L285 HydrophobicContact CH2-CD1 3.52Å; W244-L285 HydrophobicContact CH2-CD2 3.73Å; W244-L285 HydrophobicContact CH2-CG 4Å; W244-L285 HydrophobicContact CZ3-CD1 3.83Å; W244-L285 HydrophobicContact CZ3-CD2 4.47Å; W244-L285 HydrophobicContact CZ3-CG 4.34Å; F278-L285 HydrophobicContact CE1-CB 4.2Å; F278-L285 HydrophobicContact CE1-CD2 4.27Å; F278-L285 HydrophobicContact CE1-CG 4.5Å; F278-L285 HydrophobicContact CZ-CD2 3.83Å; F278-L285 HydrophobicContact CZ-CG 4.49Å; T283-L285 PolarHBondContact O-N 3.44Å; L285-K288 PolarHBondContact O-N 3.31Å; L285-M289 HydrophobicContact CD2-CE 4.05Å; L285-M289 HydrophobicContact CG-CE 3.84Å; L285-M289 HydrophobicContact CG-CG 4.43Å; L285-M289 HydrophobicContact CG-SD 4.31Å; L285-M289 WeakPolarHBondContact O-CG 3.45Å; L285-M289 PolarHBondContact O-N 3.4Å |
| 286 | G | 92.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.1 | -50.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | T283 K288 M289 A290 | T283-G286 PolarHBondContact O-N 2.91Å; T283-G286 WeakPolarHBondContact OG1-CA 3.46Å; T283-G286 PolarHBondContact OG1-N 3.26Å; G286-K288 VanDerWaalsContact C-N 3.33Å; G286-K288 PolarHBondContact O-N 2.89Å; G286-M289 PolarHBondContact O-N 3.1Å; G286-M289 VanDerWaalsContact O-N 3.15Å; G286-A290 WeakPolarHBondContact O-CB 3.42Å; G286-A290 PolarHBondContact O-N 3.05Å |
| 287 | K | 95.1 | Very high | 95.2 | Very high | 105 Ų | 105 | 60.2 Ų | 60.2 | 46% | 0.457 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -55.8 | -46 | 175.9 | -176.7 | 171 | 177.5 | 172 | 0 | 112.8 | D281 T283 M289 A290 E291 | D281-K287 HydrophobicContact CB-CB 4.38Å; D281-K287 HydrophobicContact CB-CG 4.46Å; T283-K287 WeakPolarHBondContact O-CB 3.28Å; T283-K287 PolarHBondContact O-N 3.08Å; K287-M289 PolarHBondContact O-N 3.17Å; K287-A290 PolarHBondContact O-N 2.78Å; K287-E291 WeakPolarHBondContact CE-OE1 3.5Å; K287-E291 WeakPolarHBondContact O-CB 3.49Å; K287-E291 WeakPolarHBondContact O-CG 3.31Å; K287-E291 PolarHBondContact O-N 2.83Å |
| 288 | K | 93.2 | Very high | 95.3 | Very high | 97 Ų | 97 | 59.8 Ų | 59.8 | 42% | 0.422 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.4 | -44 | 178.8 | -178.1 | -176.7 | 176.2 | 176.4 | 0 | 111.6 | L285 G286 E291 E292 | L285-K288 PolarHBondContact O-N 3.31Å; G286-K288 VanDerWaalsContact C-N 3.33Å; G286-K288 PolarHBondContact O-N 2.89Å; K288-E291 PolarHBondContact O-N 3.18Å; K288-E292 VanDerWaalsContact O-CB 3.23Å; K288-E292 WeakPolarHBondContact O-CB 3.39Å; K288-E292 PolarHBondContact O-N 3.01Å |
| 289 | M | 91.6 | Very high | 95.3 | Very high | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.02 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.8 | -38.1 | 178.6 | -68.7 | -171.3 | -67.6 | 0 | 0 | 111.8 | W244 F278 L285 G286 K287 E292 F293 M299 | W244-M289 HydrophobicContact CE3-CG 3.97Å; W244-M289 HydrophobicContact CE3-SD 3.66Å; W244-M289 HydrophobicContact CH2-SD 4.02Å; W244-M289 HydrophobicContact CZ3-CG 3.57Å; W244-M289 HydrophobicContact CZ3-SD 3.34Å; W244-M289 WeakPolarHBondContact CZ3-SD 3.17Å; F278-M289 HydrophobicContact CD1-CE 3.79Å; F278-M289 HydrophobicContact CD2-CE 3.57Å; F278-M289 HydrophobicContact CE1-CE 3.77Å; F278-M289 HydrophobicContact CE2-CE 3.53Å; F278-M289 HydrophobicContact CG-CE 3.7Å; F278-M289 HydrophobicContact CZ-CE 3.65Å; L285-M289 HydrophobicContact CD2-CE 4.05Å; L285-M289 HydrophobicContact CG-CE 3.84Å; L285-M289 HydrophobicContact CG-CG 4.43Å; L285-M289 HydrophobicContact CG-SD 4.31Å; L285-M289 WeakPolarHBondContact O-CG 3.45Å; L285-M289 PolarHBondContact O-N 3.4Å; G286-M289 PolarHBondContact O-N 3.1Å; G286-M289 VanDerWaalsContact O-N 3.15Å; K287-M289 PolarHBondContact O-N 3.17Å; M289-E292 PolarHBondContact O-N 3.08Å; M289-F293 HydrophobicContact CB-CD2 4.46Å; M289-F293 WeakPolarHBondContact O-CB 3.34Å; M289-F293 WeakPolarHBondContact O-CD2 3.24Å; M289-F293 PolarHBondContact O-N 3.31Å; M289-M299 HydrophobicContact CB-CE 4.06Å; M289-M299 HydrophobicContact CB-SD 3.55Å; M289-M299 VanDerWaalsContact CB-SD 3.55Å; M289-M299 HydrophobicContact CE-CE 3.89Å; M289-M299 HydrophobicContact CE-SD 3.28Å; M289-M299 WeakPolarHBondContact CE-SD 3.28Å; M289-M299 HydrophobicContact CG-CE 4.48Å; M289-M299 HydrophobicContact CG-SD 4.26Å; M289-M299 HydrophobicContact SD-CE 3.69Å; M289-M299 HydrophobicContact SD-SD 3.79Å |
| 290 | A | 94.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.008 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.1 | -46.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | D281 G286 K287 G294 L295 | D281-A290 VanDerWaalsContact OD1-CB 3.27Å; D281-A290 WeakPolarHBondContact OD1-CB 3.22Å; G286-A290 WeakPolarHBondContact O-CB 3.42Å; G286-A290 PolarHBondContact O-N 3.05Å; K287-A290 PolarHBondContact O-N 2.78Å; A290-G294 CarbonylContact O-C 3.59Å; A290-G294 VanDerWaalsContact O-CA 3.22Å; A290-G294 WeakPolarHBondContact O-CA 3.21Å; A290-G294 PolarHBondContact O-N 2.93Å; A290-L295 PolarHBondContact O-N 2.88Å |
| 291 | E | 95.2 | Very high | 95.3 | Very high | 119 Ų | 119 | 55.7 Ų | 55.7 | 56% | 0.556 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -66.5 | -43.4 | 176.1 | -71.4 | 172.6 | -177.1 | 0 | 0 | 112.6 | K287 K288 | K287-E291 WeakPolarHBondContact CE-OE1 3.5Å; K287-E291 WeakPolarHBondContact O-CB 3.49Å; K287-E291 WeakPolarHBondContact O-CG 3.31Å; K287-E291 PolarHBondContact O-N 2.83Å; K288-E291 PolarHBondContact O-N 3.18Å |
| 292 | E | 94.3 | Very high | 95.4 | Very high | 97 Ų | 97 | 54.5 Ų | 54.5 | 45% | 0.453 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -72.5 | -34 | -175.4 | -170.8 | 170.4 | 169.9 | 0 | 0 | 112.4 | K241 K288 M289 | K241-E292 IonicContact NZ-OE1 2.78Å; K241-E292 PolarHBondContact NZ-OE1 2.84Å; K241-E292 IonicContact NZ-OE2 3.14Å; K288-E292 VanDerWaalsContact O-CB 3.23Å; K288-E292 WeakPolarHBondContact O-CB 3.39Å; K288-E292 PolarHBondContact O-N 3.01Å; M289-E292 PolarHBondContact O-N 3.08Å |
| 293 | F | 95.2 | Very high | 95.5 | Very high | 43 Ų | 43 | 49.8 Ų | 49.8 | 19% | 0.189 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -117.7 | 0.6 | -172.9 | -61.4 | -78.1 | 0 | 0 | 0 | 115 | W244 A245 I248 M289 L295 | W244-F293 HydrophobicContact CB-CZ 4.36Å; A245-F293 HydrophobicContact CB-CE1 3.79Å; A245-F293 HydrophobicContact CB-CZ 4.31Å; I248-F293 HydrophobicContact CD1-CB 4.13Å; I248-F293 HydrophobicContact CD1-CD1 3.87Å; I248-F293 HydrophobicContact CD1-CD2 3.33Å; I248-F293 HydrophobicContact CD1-CE1 4.11Å; I248-F293 HydrophobicContact CD1-CE2 3.59Å; I248-F293 HydrophobicContact CD1-CG 3.48Å; I248-F293 VanDerWaalsContact CD1-CG 3.48Å; I248-F293 HydrophobicContact CD1-CZ 3.98Å; I248-F293 HydrophobicContact CG2-CB 4.11Å; I248-F293 HydrophobicContact CG2-CD1 4.28Å; I248-F293 HydrophobicContact CG2-CG 4.27Å; M289-F293 HydrophobicContact CB-CD2 4.46Å; M289-F293 WeakPolarHBondContact O-CB 3.34Å; M289-F293 WeakPolarHBondContact O-CD2 3.24Å; M289-F293 PolarHBondContact O-N 3.31Å; F293-L295 HydrophobicContact CB-CD1 4.01Å; F293-L295 HydrophobicContact CB-CG 4.25Å |
| 294 | G | 96.5 | Very high | 95.7 | Very high | 51 Ų | 51 | 53.3 Ų | 53.3 | 53% | 0.526 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 46.8 | -180 | 0 | 0 | 0 | 0 | 0 | 113 | A290 | A290-G294 CarbonylContact O-C 3.59Å; A290-G294 VanDerWaalsContact O-CA 3.22Å; A290-G294 WeakPolarHBondContact O-CA 3.21Å; A290-G294 PolarHBondContact O-N 2.93Å |
| 295 | L | 95.7 | Very high | 96 | Very high | 13 Ų | 13 | 46.9 Ų | 46.9 | 7% | 0.068 | 25% | 0.246 | C | C | . | . | trans | -116.6 | 41.5 | -177.1 | -64.3 | 169.3 | 0 | 0 | 0 | 111.9 | W234 I248 A290 F293 G298 M299 | W234-L295 HydrophobicContact CH2-CD2 4.41Å; W234-L295 HydrophobicContact CZ3-CD1 3.8Å; W234-L295 HydrophobicContact CZ3-CD2 4.31Å; I248-L295 HydrophobicContact CD1-CD1 4.42Å; I248-L295 HydrophobicContact CG2-CD1 3.87Å; A290-L295 PolarHBondContact O-N 2.88Å; F293-L295 HydrophobicContact CB-CD1 4.01Å; F293-L295 HydrophobicContact CB-CG 4.25Å; L295-G298 PolarHBondContact O-N 3.04Å; L295-M299 HydrophobicContact CB-CG 4.06Å; L295-M299 HydrophobicContact CD1-CB 4.43Å; L295-M299 HydrophobicContact CD1-CE 3.93Å; L295-M299 HydrophobicContact CD1-CG 3.93Å; L295-M299 HydrophobicContact CD1-SD 4.5Å | ||
| 296 | H | 96.8 | Very high | 96.3 | Very high | 121 Ų | 121 | 43.9 Ų | 43.9 | 56% | 0.56 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 137.8 | 174.9 | -69.7 | -71.9 | 0 | 0 | 0 | 111.1 | D281 G298 | D281-H296 IonicContact OD1-ND1 2.77Å; D281-H296 IonicContact OD2-CE1 3.3Å; D281-H296 IonicContact OD2-CG 2.76Å; D281-H296 IonicContact OD2-ND1 2.7Å; D281-H296 PolarHBondContact OD2-ND1 2.89Å; H296-G298 VanDerWaalsContact C-N 3.33Å |
| 297 | G | 96.5 | Very high | 96.6 | Very high | 37 Ų | 37 | 49.5 Ų | 49.5 | 38% | 0.381 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | 8.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | H279 T302 D303 | H279-G297 CarbonylContact O-C 3.2Å; H279-G297 VanDerWaalsContact O-C 3.26Å; G297-T302 CarbonylContact O-C 3.46Å; G297-T302 VanDerWaalsContact O-CA 3.28Å; G297-T302 WeakPolarHBondContact O-CA 3.37Å; G297-D303 PolarHBondContact O-N 2.89Å |
| 298 | G | 97.7 | Very high | 96.8 | Very high | 3 Ų | 3 | 46.3 Ų | 46.3 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | 133.3 | 155.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q255 F278 H279 L295 H296 V301 | Q255-G298 PolarHBondContact NE2-O 2.8Å; F278-G298 CarbonylContact O-C 3.58Å; F278-G298 WeakPolarHBondContact O-CA 3.44Å; H279-G298 WeakPolarHBondContact O-CA 3.35Å; H279-G298 PolarHBondContact O-N 2.86Å; L295-G298 PolarHBondContact O-N 3.04Å; H296-G298 VanDerWaalsContact C-N 3.33Å; G298-V301 CarbonylContact C-O 3.55Å; G298-V301 VanDerWaalsContact CA-O 3.29Å; G298-V301 WeakPolarHBondContact CA-O 3.37Å |
| 299 | M | 97.4 | Very high | 97.1 | Very high | 7 Ų | 7 | 46.7 Ų | 46.7 | 3% | 0.034 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -103.5 | -93.3 | 179.7 | -64 | -173.1 | 57.4 | 0 | 0 | 111.2 | W234 I248 Q255 F278 M289 L295 V301 | W234-M299 HydrophobicContact CE3-CE 4.32Å; W234-M299 WeakPolarHBondContact CH2-O 3.44Å; W234-M299 WeakPolarHBondContact CZ2-O 3.39Å; W234-M299 HydrophobicContact CZ3-CB 4.38Å; I248-M299 HydrophobicContact CD1-CE 4.14Å; I248-M299 HydrophobicContact CG1-CE 4.38Å; Q255-M299 WeakPolarHBondContact CG-O 3.45Å; Q255-M299 PolarHBondContact NE2-O 2.95Å; F278-M299 HydrophobicContact CB-CB 4Å; F278-M299 HydrophobicContact CB-CG 3.95Å; F278-M299 HydrophobicContact CB-SD 3.77Å; F278-M299 HydrophobicContact CD2-SD 4.29Å; F278-M299 HydrophobicContact CG-SD 4.11Å; F278-M299 PolarHBondContact O-N 2.84Å; M289-M299 HydrophobicContact CB-CE 4.06Å; M289-M299 HydrophobicContact CB-SD 3.55Å; M289-M299 VanDerWaalsContact CB-SD 3.55Å; M289-M299 HydrophobicContact CE-CE 3.89Å; M289-M299 HydrophobicContact CE-SD 3.28Å; M289-M299 WeakPolarHBondContact CE-SD 3.28Å; M289-M299 HydrophobicContact CG-CE 4.48Å; M289-M299 HydrophobicContact CG-SD 4.26Å; M289-M299 HydrophobicContact SD-CE 3.69Å; M289-M299 HydrophobicContact SD-SD 3.79Å; L295-M299 HydrophobicContact CB-CG 4.06Å; L295-M299 HydrophobicContact CD1-CB 4.43Å; L295-M299 HydrophobicContact CD1-CE 3.93Å; L295-M299 HydrophobicContact CD1-CG 3.93Å; L295-M299 HydrophobicContact CD1-SD 4.5Å; M299-V301 PolarHBondContact N-O 2.78Å; M299-V301 PolarHBondContact O-N 2.91Å |
| 300 | E | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -67 | -25.3 | 178.5 | 69.1 | -73.1 | 163.6 | 0 | 0 | 113.2 | T231 D232 W234 V256 H273 A277 F278 | T231-E300 HydrophobicContact CG2-CB 4.19Å; T231-E300 HydrophobicContact CG2-CG 3.86Å; D232-E300 VanDerWaalsContact O-CB 3.3Å; D232-E300 WeakPolarHBondContact O-CB 3.42Å; D232-E300 WeakPolarHBondContact O-CG 3.36Å; W234-E300 HydrophobicContact CD2-CB 4.44Å; W234-E300 HydrophobicContact CG-CB 4.41Å; W234-E300 HydrophobicContact CZ2-CB 4.41Å; V256-E300 PolarHBondContact N-O 2.85Å; H273-E300 WeakPolarHBondContact NE2-CG 3.39Å; H273-E300 IonicContact NE2-OE1 2.65Å; H273-E300 PolarHBondContact NE2-OE1 2.87Å; A277-E300 WeakPolarHBondContact CA-OE1 3.42Å; A277-E300 WeakPolarHBondContact CB-OE1 3.41Å; F278-E300 PolarHBondContact N-OE1 3.44Å |
| 301 | V | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -140.1 | 143.6 | 174.2 | 61.2 | 0 | 0 | 0 | 0 | 109.3 | T231 V256 F271 A277 H279 G298 M299 V305 F306 | T231-V301 HydrophobicContact CG2-CB 4.17Å; V256-V301 HydrophobicContact CB-CB 4.34Å; V256-V301 HydrophobicContact CB-CG2 4.22Å; V256-V301 HydrophobicContact CG1-CG2 4.48Å; V256-V301 VanDerWaalsContact O-CA 3.29Å; V256-V301 WeakPolarHBondContact O-CA 3.35Å; V256-V301 WeakPolarHBondContact O-CG2 3.18Å; F271-V301 HydrophobicContact CD1-CG2 4.45Å; F271-V301 HydrophobicContact CE1-CB 4.32Å; F271-V301 HydrophobicContact CE1-CG1 4.34Å; F271-V301 HydrophobicContact CE1-CG2 3.72Å; F271-V301 HydrophobicContact CE2-CB 4.31Å; F271-V301 HydrophobicContact CE2-CG2 3.93Å; F271-V301 HydrophobicContact CZ-CB 3.69Å; F271-V301 HydrophobicContact CZ-CG1 3.98Å; F271-V301 HydrophobicContact CZ-CG2 3.41Å; F271-V301 VanDerWaalsContact CZ-CG2 3.41Å; A277-V301 HydrophobicContact CB-CG1 4.32Å; H279-V301 WeakPolarHBondContact CA-O 3.17Å; H279-V301 HydrophobicContact CB-CG1 3.94Å; G298-V301 CarbonylContact C-O 3.55Å; G298-V301 VanDerWaalsContact CA-O 3.29Å; G298-V301 WeakPolarHBondContact CA-O 3.37Å; M299-V301 PolarHBondContact N-O 2.78Å; M299-V301 PolarHBondContact O-N 2.91Å; V301-V305 HydrophobicContact CG2-CB 3.9Å; V301-V305 HydrophobicContact CG2-CG1 3.95Å; V301-F306 HydrophobicContact CG1-CB 4.48Å; V301-F306 HydrophobicContact CG1-CD2 4.06Å; V301-F306 HydrophobicContact CG2-CB 4.41Å |
| 302 | T | 98.8 | Very high | 97.8 | Very high | 20 Ų | 20 | 43.4 Ų | 43.4 | 12% | 0.123 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | -76 | 146.9 | 172.1 | 54.2 | 0 | 0 | 0 | 0 | 111.8 | Q255 V256 N257 G297 E304 V305 F306 | Q255-T302 HydrophobicContact CG-CG2 4.23Å; V256-T302 PolarHBondContact O-N 3.09Å; N257-T302 HydrophobicContact CB-CG2 3.59Å; G297-T302 CarbonylContact O-C 3.46Å; G297-T302 VanDerWaalsContact O-CA 3.28Å; G297-T302 WeakPolarHBondContact O-CA 3.37Å; T302-E304 PolarHBondContact O-N 2.88Å; T302-V305 PolarHBondContact O-N 2.86Å; T302-V305 WeakPolarHBondContact OG1-CG2 3.15Å; T302-V305 PolarHBondContact OG1-N 3.41Å; T302-F306 PolarHBondContact O-N 3.37Å |
| 303 | D | 98.8 | Very high | 98 | Very high | 60 Ų | 60 | 38.8 Ų | 38.8 | 32% | 0.321 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -50.9 | -40.6 | 172.7 | -164.9 | 48.7 | 0 | 0 | 0 | 112.4 | H279 G297 V305 F306 E307 | H279-D303 IonicContact CE1-OD1 3.84Å; H279-D303 PolarHBondContact CE1-OD1 2.87Å; H279-D303 IonicContact CG-OD1 2.57Å; H279-D303 IonicContact ND1-OD1 3.72Å; H279-D303 PolarHBondContact ND1-OD1 2.79Å; H279-D303 WeakPolarHBondContact O-CA 3.47Å; H279-D303 VanDerWaalsContact O-CB 3.32Å; H279-D303 WeakPolarHBondContact O-CB 3.21Å; H279-D303 PolarHBondContact O-N 2.73Å; H279-D303 VanDerWaalsContact O-N 3.13Å; G297-D303 PolarHBondContact O-N 2.89Å; D303-V305 VanDerWaalsContact C-N 3.34Å; D303-V305 PolarHBondContact O-N 3.14Å; D303-F306 PolarHBondContact O-N 3Å; D303-E307 WeakPolarHBondContact O-CB 3.26Å; D303-E307 PolarHBondContact O-N 2.89Å |
| 304 | E | 98.8 | Very high | 98.2 | Very high | 133 Ų | 133 | 42.9 Ų | 42.9 | 62% | 0.621 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -55.4 | -45.5 | 177.7 | -177.1 | -175.9 | -151.4 | 0 | 0 | 112.6 | S258 T302 S308 | S258-E304 WeakPolarHBondContact CB-OE2 3.21Å; S258-E304 PolarHBondContact OG-OE2 2.96Å; T302-E304 PolarHBondContact O-N 2.88Å; E304-S308 VanDerWaalsContact O-CB 3.28Å; E304-S308 WeakPolarHBondContact O-CB 3.43Å; E304-S308 PolarHBondContact O-N 3.49Å |
| 305 | V | 98.9 | Very high | 98.3 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.018 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -74.7 | -40.9 | 177.7 | 173 | 0 | 0 | 0 | 0 | 110.6 | V256 N257 M261 F271 V301 T302 D303 E307 S308 S311 | V256-V305 HydrophobicContact CG1-CG1 4.16Å; N257-V305 VanDerWaalsContact C-CG2 3.46Å; M261-V305 HydrophobicContact CE-CG1 4.48Å; M261-V305 HydrophobicContact CG-CG1 4.09Å; M261-V305 HydrophobicContact CG-CG2 3.97Å; M261-V305 HydrophobicContact SD-CG1 4.27Å; F271-V305 HydrophobicContact CB-CG1 4.06Å; F271-V305 HydrophobicContact CD1-CG1 4.11Å; F271-V305 HydrophobicContact CD2-CG1 4.16Å; F271-V305 HydrophobicContact CG-CG1 3.82Å; V301-V305 HydrophobicContact CG2-CB 3.9Å; V301-V305 HydrophobicContact CG2-CG1 3.95Å; T302-V305 PolarHBondContact O-N 2.86Å; T302-V305 WeakPolarHBondContact OG1-CG2 3.15Å; T302-V305 PolarHBondContact OG1-N 3.41Å; D303-V305 VanDerWaalsContact C-N 3.34Å; D303-V305 PolarHBondContact O-N 3.14Å; V305-E307 VanDerWaalsContact C-N 3.3Å; V305-E307 PolarHBondContact O-N 2.75Å; V305-S308 WeakPolarHBondContact O-CB 3.45Å; V305-S308 PolarHBondContact O-N 3.35Å; V305-S308 VanDerWaalsContact O-N 3.15Å; V305-S308 PolarHBondContact O-OG 2.87Å; V305-S311 WeakPolarHBondContact O-CB 3.14Å |
| 306 | F | 98.9 | Very high | 98.5 | Very high | 7 Ų | 7 | 43 Ų | 43 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.1 | -38.9 | -178.4 | -170.3 | -89 | 0 | 0 | 0 | 112.6 | F271 L275 A277 H279 V301 T302 D303 S311 V313 F314 | F271-F306 HydrophobicContact CE1-CD2 4.16Å; L275-F306 HydrophobicContact CD2-CE2 3.58Å; L275-F306 HydrophobicContact CD2-CZ 3.67Å; A277-F306 HydrophobicContact CB-CD2 4.08Å; A277-F306 HydrophobicContact CB-CE2 3.62Å; A277-F306 HydrophobicContact CB-CZ 4.45Å; H279-F306 HydrophobicContact CB-CB 3.69Å; H279-F306 HydrophobicContact CB-CD1 4.33Å; H279-F306 HydrophobicContact CB-CD2 3.99Å; H279-F306 HydrophobicContact CB-CG 3.74Å; H279-F306 AromaticContact CD2-CD1 3.65Å; H279-F306 AromaticContact CD2-CD2 3.96Å; H279-F306 AromaticContact CD2-CE1 3.66Å; H279-F306 AromaticContact CD2-CE2 3.97Å; H279-F306 AromaticContact CD2-CG 3.8Å; H279-F306 AromaticContact CD2-CZ 3.83Å; H279-F306 AromaticContact CE1-CD1 3.45Å; H279-F306 VanDerWaalsContact CE1-CD1 3.45Å; H279-F306 WeakPolarHBondContact CE1-CD1 3.36Å; H279-F306 AromaticContact CE1-CE1 3.67Å; H279-F306 AromaticContact CG-CD1 3.58Å; H279-F306 AromaticContact CG-CD2 3.95Å; H279-F306 AromaticContact CG-CG 3.5Å; H279-F306 VanDerWaalsContact CG-CG 3.5Å; H279-F306 AromaticContact ND1-CD1 3.45Å; H279-F306 WeakPolarHBondContact ND1-CD1 3.41Å; H279-F306 AromaticContact ND1-CG 3.75Å; H279-F306 AromaticContact NE2-CD1 3.59Å; H279-F306 AromaticContact NE2-CE1 3.39Å; H279-F306 WeakPolarHBondContact NE2-CE1 3.49Å; H279-F306 AromaticContact NE2-CZ 3.89Å; V301-F306 HydrophobicContact CG1-CB 4.48Å; V301-F306 HydrophobicContact CG1-CD2 4.06Å; V301-F306 HydrophobicContact CG2-CB 4.41Å; T302-F306 PolarHBondContact O-N 3.37Å; D303-F306 PolarHBondContact O-N 3Å; F306-S311 WeakPolarHBondContact O-CB 3.2Å; F306-S311 PolarHBondContact O-OG 2.78Å; F306-V313 HydrophobicContact CE1-CG2 4.45Å; F306-V313 HydrophobicContact CE2-CG1 4.45Å; F306-V313 HydrophobicContact CE2-CG2 3.98Å; F306-V313 HydrophobicContact CZ-CG2 3.86Å; F306-F314 HydrophobicContact CE1-CE2 4.35Å; F306-F314 HydrophobicContact CE1-CZ 4.12Å; F306-F314 HydrophobicContact CZ-CZ 4.3Å |
| 307 | E | 98.8 | Very high | 98.5 | Very high | 118 Ų | 118 | 38.4 Ų | 38.4 | 55% | 0.551 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94 | 1.4 | 178.1 | -62.3 | -62.5 | 156.8 | 0 | 0 | 113.1 | H279 D303 V305 | H279-E307 IonicContact CE1-OE1 2.83Å; D303-E307 WeakPolarHBondContact O-CB 3.26Å; D303-E307 PolarHBondContact O-N 2.89Å; V305-E307 VanDerWaalsContact C-N 3.3Å; V305-E307 PolarHBondContact O-N 2.75Å |
| 308 | S | 98.7 | Very high | 98.7 | Very high | 38 Ų | 38 | 39.9 Ų | 39.9 | 27% | 0.266 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -70.1 | 160.6 | 178.7 | 74.8 | 0 | 0 | 0 | 0 | 112.4 | E304 V305 A310 S311 | E304-S308 VanDerWaalsContact O-CB 3.28Å; E304-S308 WeakPolarHBondContact O-CB 3.43Å; E304-S308 PolarHBondContact O-N 3.49Å; V305-S308 WeakPolarHBondContact O-CB 3.45Å; V305-S308 PolarHBondContact O-N 3.35Å; V305-S308 VanDerWaalsContact O-N 3.15Å; V305-S308 PolarHBondContact O-OG 2.87Å; S308-A310 PolarHBondContact O-N 3.03Å; S308-A310 VanDerWaalsContact O-N 3.12Å; S308-A310 PolarHBondContact OG-N 2.88Å; S308-S311 VanDerWaalsContact O-CB 3.28Å; S308-S311 WeakPolarHBondContact O-CB 3.17Å; S308-S311 PolarHBondContact O-N 2.97Å; S308-S311 PolarHBondContact OG-N 2.99Å |
| 309 | A | 98.6 | Very high | 98.7 | Very high | 105 Ų | 105 | 39.7 Ų | 39.7 | 87% | 0.868 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -14 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114 | S311 | A309-S311 VanDerWaalsContact C-N 3.35Š|
| 310 | A | 98.8 | Very high | 98.8 | Very high | 21 Ų | 21 | 39.5 Ų | 39.5 | 17% | 0.174 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -20.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | M261 V269 K270 F271 S308 I312 | M261-A310 HydrophobicContact CE-CB 3.89Å; V269-A310 WeakPolarHBondContact O-CB 3.48Å; K270-A310 CarbonylContact C-O 3.41Å; K270-A310 VanDerWaalsContact CA-O 3.3Å; K270-A310 WeakPolarHBondContact CA-O 3.39Å; K270-A310 WeakPolarHBondContact CD-O 3.19Å; F271-A310 PolarHBondContact N-O 3.11Å; S308-A310 PolarHBondContact O-N 3.03Å; S308-A310 VanDerWaalsContact O-N 3.12Å; S308-A310 PolarHBondContact OG-N 2.88Å; A310-I312 PolarHBondContact O-N 3.09Å |
| 311 | S | 98.9 | Very high | 98.8 | Very high | 23 Ų | 23 | 40.6 Ų | 40.6 | 16% | 0.161 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | -73.8 | 121.3 | 179.6 | -172.8 | 0 | 0 | 0 | 0 | 111.3 | V305 F306 S308 A309 | V305-S311 WeakPolarHBondContact O-CB 3.14Å; F306-S311 WeakPolarHBondContact O-CB 3.2Å; F306-S311 PolarHBondContact O-OG 2.78Å; S308-S311 VanDerWaalsContact O-CB 3.28Å; S308-S311 WeakPolarHBondContact O-CB 3.17Å; S308-S311 PolarHBondContact O-N 2.97Å; S308-S311 PolarHBondContact OG-N 2.99Å; A309-S311 VanDerWaalsContact C-N 3.35Å |
| 312 | I | 98.9 | Very high | 98.8 | Very high | 11 Ų | 11 | 40.7 Ų | 40.7 | 6% | 0.056 | 23% | 0.227 | C | C | . | . | trans | -120.6 | 21.7 | 179.7 | 60.4 | 171.8 | 0 | 0 | 0 | 111.1 | T144 H148 F228 K270 F271 L272 A310 F314 D315 Q316 | T144-I312 HydrophobicContact CG2-CD1 3.9Å; T144-I312 HydrophobicContact CG2-CG1 4.44Å; H148-I312 HydrophobicContact CB-CD1 4.26Å; H148-I312 WeakPolarHBondContact CE1-CG2 3.25Å; F228-I312 HydrophobicContact CD1-CD1 4.3Å; F228-I312 HydrophobicContact CE1-CD1 3.93Å; K270-I312 HydrophobicContact CB-CD1 3.73Å; K270-I312 HydrophobicContact CB-CG1 4.13Å; K270-I312 HydrophobicContact CD-CG2 4.1Å; K270-I312 HydrophobicContact CG-CD1 4.25Å; K270-I312 HydrophobicContact CG-CG2 4.5Å; F271-I312 WeakPolarHBondContact O-CG1 3.33Å; F271-I312 PolarHBondContact O-N 2.92Å; F271-I312 VanDerWaalsContact O-N 3.08Å; L272-I312 HydrophobicContact CD2-CD1 3.79Å; L272-I312 HydrophobicContact CD2-CG1 3.68Å; L272-I312 HydrophobicContact CG-CD1 4.3Å; L272-I312 HydrophobicContact CG-CG1 4.27Å; A310-I312 PolarHBondContact O-N 3.09Å; I312-F314 PolarHBondContact O-N 3.01Å; I312-D315 PolarHBondContact O-N 2.94Å; I312-D315 VanDerWaalsContact O-N 3.16Å; I312-Q316 PolarHBondContact O-N 3.33Å | ||
| 313 | V | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.1 | -26.9 | -175.3 | -59.3 | 0 | 0 | 0 | 0 | 113.2 | F271 H273 L275 F306 A317 | F271-V313 HydrophobicContact CD1-CG1 3.92Å; F271-V313 HydrophobicContact CE1-CG1 3.85Å; H273-V313 HydrophobicContact CB-CG1 3.89Å; L275-V313 HydrophobicContact CD2-CB 4.44Å; F306-V313 HydrophobicContact CE1-CG2 4.45Å; F306-V313 HydrophobicContact CE2-CG1 4.45Å; F306-V313 HydrophobicContact CE2-CG2 3.98Å; F306-V313 HydrophobicContact CZ-CG2 3.86Å; V313-A317 VanDerWaalsContact O-CB 3.26Å; V313-A317 WeakPolarHBondContact O-CB 3.32Å; V313-A317 PolarHBondContact O-N 3.43Å |
| 314 | F | 98.8 | Very high | 98.8 | Very high | 129 Ų | 129 | 37 Ų | 37 | 57% | 0.566 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -83.4 | -31.9 | 177.9 | -63.7 | -63.3 | 0 | 0 | 0 | 113.1 | L275 F306 I312 Q316 A317 E318 | L275-F314 HydrophobicContact CD1-CE1 4.36Å; F306-F314 HydrophobicContact CE1-CE2 4.35Å; F306-F314 HydrophobicContact CE1-CZ 4.12Å; F306-F314 HydrophobicContact CZ-CZ 4.3Å; I312-F314 PolarHBondContact O-N 3.01Å; F314-Q316 VanDerWaalsContact C-N 3.34Å; F314-A317 PolarHBondContact O-N 3.49Å; F314-E318 PolarHBondContact O-N 3.02Å |
| 315 | D | 98.8 | Very high | 98.8 | Very high | 66 Ų | 66 | 30.7 Ų | 30.7 | 35% | 0.353 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -64.2 | -44.9 | 167.4 | -72.2 | -20.1 | 0 | 0 | 0 | 109.9 | T144 H148 I312 A317 E318 N319 | T144-D315 HydrophobicContact CG2-CB 4.32Å; H148-D315 IonicContact CE1-OD2 2.98Å; H148-D315 PolarHBondContact CE1-OD2 3.45Å; H148-D315 IonicContact NE2-OD2 3.38Å; H148-D315 PolarHBondContact NE2-OD2 3.21Å; I312-D315 PolarHBondContact O-N 2.94Å; I312-D315 VanDerWaalsContact O-N 3.16Å; D315-A317 VanDerWaalsContact C-N 3.33Å; D315-A317 PolarHBondContact O-N 2.96Å; D315-E318 WeakPolarHBondContact O-CB 3.22Å; D315-E318 PolarHBondContact O-N 3.09Å; D315-N319 WeakPolarHBondContact O-CB 3.46Å; D315-N319 PolarHBondContact O-N 3.28Å |
| 316 | Q | 98.8 | Very high | 98.8 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.9 | -45.4 | 173.1 | -174 | -169.2 | 3.1 | 0 | 0 | 111.7 | D141 T144 Y230 L272 H273 I312 F314 N319 R320 | D141-Q316 WeakPolarHBondContact OD1-CG 3.21Å; D141-Q316 PolarHBondContact OD1-NE2 3.39Å; T144-Q316 HydrophobicContact CG2-CB 4.13Å; T144-Q316 WeakPolarHBondContact OG1-CA 3.3Å; Y230-Q316 PolarHBondContact OH-NE2 3.42Å; Y230-Q316 VanDerWaalsContact OH-NE2 3.17Å; L272-Q316 HydrophobicContact CD2-CB 3.98Å; L272-Q316 HydrophobicContact CD2-CG 3.97Å; H273-Q316 PolarHBondContact O-OE1 2.92Å; I312-Q316 PolarHBondContact O-N 3.33Å; F314-Q316 VanDerWaalsContact C-N 3.34Å; Q316-N319 PolarHBondContact O-N 3.33Å; Q316-R320 PolarHBondContact O-N 3.24Å |
| 317 | A | 98.7 | Very high | 98.8 | Very high | 24 Ų | 24 | 30.4 Ų | 30.4 | 20% | 0.198 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.8 | -37.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L275 V313 F314 D315 N319 R320 | L275-A317 HydrophobicContact CD1-CB 4.19Å; V313-A317 VanDerWaalsContact O-CB 3.26Å; V313-A317 WeakPolarHBondContact O-CB 3.32Å; V313-A317 PolarHBondContact O-N 3.43Å; F314-A317 PolarHBondContact O-N 3.49Å; D315-A317 VanDerWaalsContact C-N 3.33Å; D315-A317 PolarHBondContact O-N 2.96Å; A317-N319 VanDerWaalsContact C-N 3.35Å; A317-R320 VanDerWaalsContact O-CB 3.29Å; A317-R320 WeakPolarHBondContact O-CB 3.41Å; A317-R320 WeakPolarHBondContact O-CG 3.46Å; A317-R320 PolarHBondContact O-N 2.98Å |
| 318 | E | 98.8 | Very high | 98.8 | Very high | 68 Ų | 68 | 24.8 Ų | 24.8 | 32% | 0.318 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -61.7 | -45.3 | 172.6 | -169.9 | -164.2 | 135.4 | 0 | 0 | 110.4 | K35 F314 D315 R320 M321 H322 | K35-E318 VanDerWaalsContact CE-OE1 3.29Å; K35-E318 WeakPolarHBondContact CE-OE1 3.4Å; K35-E318 IonicContact NZ-OE1 2.9Å; K35-E318 PolarHBondContact NZ-OE1 3.17Å; K35-E318 IonicContact NZ-OE2 3.88Å; K35-E318 PolarHBondContact NZ-OE2 3.15Å; K35-E318 VanDerWaalsContact NZ-OE2 3.15Å; F314-E318 PolarHBondContact O-N 3.02Å; D315-E318 WeakPolarHBondContact O-CB 3.22Å; D315-E318 PolarHBondContact O-N 3.09Å; E318-R320 PolarHBondContact O-N 3.14Å; E318-R320 VanDerWaalsContact O-N 3.11Å; E318-M321 PolarHBondContact O-N 2.86Å; E318-H322 IonicContact OE1-CD2 2.77Å; E318-H322 IonicContact OE1-CE1 3.64Å; E318-H322 IonicContact OE1-NE2 3.01Å; E318-H322 PolarHBondContact OE1-NE2 2.74Å |
| 319 | N | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.7 | -20.5 | -175.9 | -80.1 | -20.6 | 0 | 0 | 0 | 114 | K31 A140 L143 T144 E147 D315 Q316 A317 M321 H322 T323 | K31-N319 WeakPolarHBondContact CE-OD1 3.49Å; K31-N319 PolarHBondContact NZ-OD1 2.72Å; A140-N319 HydrophobicContact CB-CB 4.09Å; L143-N319 HydrophobicContact CD2-CB 4.31Å; T144-N319 PolarHBondContact OG1-ND2 3.43Å; E147-N319 PolarHBondContact OE2-ND2 3.16Å; D315-N319 WeakPolarHBondContact O-CB 3.46Å; D315-N319 PolarHBondContact O-N 3.28Å; Q316-N319 PolarHBondContact O-N 3.33Å; A317-N319 VanDerWaalsContact C-N 3.35Å; N319-M321 VanDerWaalsContact C-N 3.29Å; N319-M321 PolarHBondContact O-N 3.44Å; N319-H322 PolarHBondContact O-N 3.23Å; N319-T323 WeakPolarHBondContact O-CG2 3.42Å; N319-T323 PolarHBondContact O-N 2.91Å; N319-T323 PolarHBondContact O-OG1 3.45Å |
| 320 | R | 98.8 | Very high | 98.8 | Very high | 3 Ų | 3 | 19 Ų | 19 | 1% | 0.011 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -52.3 | -45.1 | 169.2 | -65.3 | -72.5 | -57.5 | -72.1 | -17.1 | 112.8 | T59 S62 Q137 A140 Q316 A317 E318 T323 I324 | T59-R320 PolarHBondContact OG1-NH2 3.48Å; S62-R320 WeakPolarHBondContact OG-CB 3.1Å; Q137-R320 VanDerWaalsContact OE1-CD 3.29Å; A140-R320 HydrophobicContact CB-CG 4.07Å; Q316-R320 PolarHBondContact O-N 3.24Å; A317-R320 VanDerWaalsContact O-CB 3.29Å; A317-R320 WeakPolarHBondContact O-CB 3.41Å; A317-R320 WeakPolarHBondContact O-CG 3.46Å; A317-R320 PolarHBondContact O-N 2.98Å; E318-R320 PolarHBondContact O-N 3.14Å; E318-R320 VanDerWaalsContact O-N 3.11Å; R320-T323 PolarHBondContact O-OG1 3.05Å; R320-I324 VanDerWaalsContact O-CB 3.28Å; R320-I324 WeakPolarHBondContact O-CB 3.11Å; R320-I324 WeakPolarHBondContact O-CD1 3.49Å; R320-I324 VanDerWaalsContact O-CG1 3.27Å; R320-I324 WeakPolarHBondContact O-CG1 3.41Å; R320-I324 PolarHBondContact O-N 3.2Å; R320-I324 VanDerWaalsContact O-N 3.09Å |
| 321 | M | 98.8 | Very high | 98.8 | Very high | 22 Ų | 22 | 18 Ų | 18 | 11% | 0.108 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -70 | -44.8 | -176.3 | -177.2 | -80.5 | -68.5 | 0 | 0 | 111.2 | K34 S62 V65 A66 E318 N319 T323 I324 K325 | K34-M321 HydrophobicContact CD-CE 3.81Å; S62-M321 PolarHBondContact OG-N 3.18Å; V65-M321 HydrophobicContact CB-CG 4.15Å; V65-M321 HydrophobicContact CG1-CE 4.46Å; V65-M321 HydrophobicContact CG1-CG 4.06Å; V65-M321 HydrophobicContact CG1-SD 4.29Å; A66-M321 HydrophobicContact CB-CG 4.15Å; A66-M321 HydrophobicContact CB-SD 4.14Å; E318-M321 PolarHBondContact O-N 2.86Å; N319-M321 VanDerWaalsContact C-N 3.29Å; N319-M321 PolarHBondContact O-N 3.44Å; M321-T323 PolarHBondContact O-N 2.93Å; M321-I324 PolarHBondContact O-N 3.02Å; M321-K325 WeakPolarHBondContact O-CB 3.34Å; M321-K325 PolarHBondContact O-N 3.46Å; M321-K325 VanDerWaalsContact SD-CE 3.6Å |
| 322 | H | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 17.4 Ų | 17.4 | 1% | 0.014 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -67.3 | -38.1 | -177.9 | -57.1 | -62.4 | 0 | 0 | 0 | 112.5 | K31 E318 N319 K325 A326 | K31-H322 HydrophobicContact CB-CB 4.07Å; E318-H322 IonicContact OE1-CD2 2.77Å; E318-H322 IonicContact OE1-CE1 3.64Å; E318-H322 IonicContact OE1-NE2 3.01Å; E318-H322 PolarHBondContact OE1-NE2 2.74Å; N319-H322 PolarHBondContact O-N 3.23Å; H322-K325 WeakPolarHBondContact O-CB 3.23Å; H322-K325 PolarHBondContact O-N 2.85Å; H322-A326 PolarHBondContact O-N 3.49Å |
| 323 | T | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.012 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -74.8 | -38.1 | 178.2 | 57.6 | 0 | 0 | 0 | 0 | 112.4 | A27 L139 L143 N319 R320 M321 K325 A326 V327 | A27-T323 HydrophobicContact CB-CG2 3.73Å; L139-T323 HydrophobicContact CB-CG2 4.02Å; L143-T323 HydrophobicContact CB-CG2 4.16Å; L143-T323 HydrophobicContact CD2-CG2 3.8Å; N319-T323 WeakPolarHBondContact O-CG2 3.42Å; N319-T323 PolarHBondContact O-N 2.91Å; N319-T323 PolarHBondContact O-OG1 3.45Å; R320-T323 PolarHBondContact O-OG1 3.05Å; M321-T323 PolarHBondContact O-N 2.93Å; T323-K325 VanDerWaalsContact C-N 3.3Å; T323-K325 PolarHBondContact O-N 3.4Å; T323-A326 WeakPolarHBondContact O-CB 3.43Å; T323-A326 PolarHBondContact O-N 3.48Å; T323-V327 WeakPolarHBondContact O-CG2 3.4Å; T323-V327 PolarHBondContact O-N 3.34Å |
| 324 | I | 98.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61 | -41.4 | 169.8 | -77.1 | 164.2 | 0 | 0 | 0 | 110.8 | F63 A66 T136 R320 M321 A326 V327 M328 | F63-I324 HydrophobicContact CB-CG2 4.41Å; F63-I324 HydrophobicContact CD1-CG2 3.51Å; F63-I324 HydrophobicContact CD2-CD1 3.65Å; F63-I324 HydrophobicContact CD2-CG1 4.29Å; F63-I324 HydrophobicContact CD2-CG2 3.9Å; F63-I324 HydrophobicContact CE1-CG2 3.55Å; F63-I324 HydrophobicContact CE2-CD1 3.42Å; F63-I324 VanDerWaalsContact CE2-CD1 3.42Å; F63-I324 HydrophobicContact CE2-CG1 3.79Å; F63-I324 HydrophobicContact CE2-CG2 3.93Å; F63-I324 HydrophobicContact CG-CD1 4.49Å; F63-I324 HydrophobicContact CG-CG2 3.68Å; F63-I324 HydrophobicContact CZ-CB 4.49Å; F63-I324 HydrophobicContact CZ-CD1 4.13Å; F63-I324 HydrophobicContact CZ-CG1 3.96Å; F63-I324 HydrophobicContact CZ-CG2 3.75Å; A66-I324 HydrophobicContact CB-CG2 4.25Å; T136-I324 HydrophobicContact CG2-CG1 4.15Å; R320-I324 VanDerWaalsContact O-CB 3.28Å; R320-I324 WeakPolarHBondContact O-CB 3.11Å; R320-I324 WeakPolarHBondContact O-CD1 3.49Å; R320-I324 VanDerWaalsContact O-CG1 3.27Å; R320-I324 WeakPolarHBondContact O-CG1 3.41Å; R320-I324 PolarHBondContact O-N 3.2Å; R320-I324 VanDerWaalsContact O-N 3.09Å; M321-I324 PolarHBondContact O-N 3.02Å; I324-A326 VanDerWaalsContact C-N 3.33Å; I324-A326 PolarHBondContact O-N 3.35Å; I324-V327 PolarHBondContact O-N 3.38Å; I324-M328 HydrophobicContact CG2-CE 3.95Å; I324-M328 WeakPolarHBondContact O-CG 3.31Å; I324-M328 PolarHBondContact O-N 2.93Å |
| 325 | K | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.1 | -45.3 | 173.5 | -165.5 | -176.7 | -74.9 | -179.7 | 0 | 111.6 | L30 E39 A66 D69 Q70 M321 H322 T323 V327 M328 V329 | L30-K325 HydrophobicContact CB-CD 4.12Å; L30-K325 HydrophobicContact CD1-CB 4.27Å; L30-K325 HydrophobicContact CD1-CD 4.15Å; L30-K325 HydrophobicContact CD1-CG 3.98Å; L30-K325 HydrophobicContact CD2-CD 4.22Å; L30-K325 HydrophobicContact CG-CD 4.4Å; E39-K325 VanDerWaalsContact OE1-CD 3.24Å; E39-K325 WeakPolarHBondContact OE1-CD 3.49Å; E39-K325 VanDerWaalsContact OE1-CE 3.3Å; E39-K325 WeakPolarHBondContact OE1-CE 3.34Å; E39-K325 IonicContact OE1-NZ 2.75Å; E39-K325 PolarHBondContact OE1-NZ 2.82Å; E39-K325 IonicContact OE2-NZ 3.21Å; E39-K325 PolarHBondContact OE2-NZ 2.99Å; A66-K325 HydrophobicContact CB-CB 3.66Å; A66-K325 HydrophobicContact CB-CG 4.11Å; D69-K325 IonicContact OD2-NZ 2.69Å; D69-K325 PolarHBondContact OD2-NZ 3.45Å; Q70-K325 HydrophobicContact CG-CD 3.82Å; Q70-K325 HydrophobicContact CG-CG 3.61Å; M321-K325 WeakPolarHBondContact O-CB 3.34Å; M321-K325 PolarHBondContact O-N 3.46Å; M321-K325 VanDerWaalsContact SD-CE 3.6Å; H322-K325 WeakPolarHBondContact O-CB 3.23Å; H322-K325 PolarHBondContact O-N 2.85Å; T323-K325 VanDerWaalsContact C-N 3.3Å; T323-K325 PolarHBondContact O-N 3.4Å; K325-V327 PolarHBondContact O-N 3.01Å; K325-M328 PolarHBondContact O-N 3.16Å; K325-V329 HydrophobicContact CG-CG2 4.37Å; K325-V329 WeakPolarHBondContact O-CB 3.38Å; K325-V329 VanDerWaalsContact O-CG2 3.3Å; K325-V329 WeakPolarHBondContact O-CG2 3.46Å; K325-V329 PolarHBondContact O-N 3Å |
| 326 | A | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.008 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.5 | -44.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | L26 A27 L30 H322 T323 I324 V329 A330 | L26-A326 HydrophobicContact CB-CB 4.22Å; L26-A326 HydrophobicContact CD2-CB 4.11Å; L26-A326 WeakPolarHBondContact CD2-O 2.95Å; L26-A326 HydrophobicContact CG-CB 3.93Å; A27-A326 HydrophobicContact CB-CB 3.72Å; L30-A326 HydrophobicContact CD1-CB 4.06Å; H322-A326 PolarHBondContact O-N 3.49Å; T323-A326 WeakPolarHBondContact O-CB 3.43Å; T323-A326 PolarHBondContact O-N 3.48Å; I324-A326 VanDerWaalsContact C-N 3.33Å; I324-A326 PolarHBondContact O-N 3.35Å; A326-V329 PolarHBondContact O-N 3.03Å; A326-A330 WeakPolarHBondContact O-CB 3.45Å; A326-A330 PolarHBondContact O-N 3.23Å |
| 327 | V | 98.8 | Very high | 97.7 | Very high | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.012 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60 | -48 | 176.4 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | F9 W126 L139 T323 I324 K325 A330 T331 | F9-V327 HydrophobicContact CB-CG1 3.81Å; F9-V327 HydrophobicContact CD1-CG1 4.3Å; F9-V327 HydrophobicContact CD1-CG2 4.37Å; F9-V327 HydrophobicContact CD2-CG1 4.33Å; F9-V327 HydrophobicContact CD2-CG2 4.18Å; F9-V327 HydrophobicContact CE1-CG2 4.4Å; F9-V327 HydrophobicContact CE2-CG2 4.27Å; F9-V327 HydrophobicContact CG-CG1 3.9Å; F9-V327 HydrophobicContact CG-CG2 4.28Å; F9-V327 HydrophobicContact CZ-CG2 4.39Å; W126-V327 VanDerWaalsContact CD1-CG1 3.46Å; W126-V327 HydrophobicContact CG-CG1 4.06Å; L139-V327 HydrophobicContact CD1-CG2 3.45Å; L139-V327 VanDerWaalsContact CD1-CG2 3.45Å; T323-V327 WeakPolarHBondContact O-CG2 3.4Å; T323-V327 PolarHBondContact O-N 3.34Å; I324-V327 PolarHBondContact O-N 3.38Å; K325-V327 PolarHBondContact O-N 3.01Å; V327-A330 PolarHBondContact O-N 3.31Å; V327-T331 WeakPolarHBondContact O-CB 3.17Å; V327-T331 VanDerWaalsContact O-CG2 3.31Å; V327-T331 WeakPolarHBondContact O-CG2 3.24Å; V327-T331 PolarHBondContact O-N 3.11Å; V327-T331 VanDerWaalsContact O-N 3.07Å; V327-T331 PolarHBondContact O-OG1 3.21Å |
| 328 | M | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.9 | -46.1 | 179.1 | -67.8 | -170.9 | -63 | 0 | 0 | 111.9 | L43 I48 F63 A66 A67 W126 I324 K325 T331 L332 | L43-M328 HydrophobicContact CD1-CB 3.85Å; I48-M328 HydrophobicContact CD1-SD 3.62Å; F63-M328 HydrophobicContact CD1-SD 3.97Å; F63-M328 HydrophobicContact CE1-SD 4.37Å; A66-M328 HydrophobicContact CB-CE 3.35Å; A67-M328 HydrophobicContact CB-CE 4.22Å; W126-M328 HydrophobicContact CE3-CG 4.46Å; W126-M328 HydrophobicContact CH2-CG 4.02Å; W126-M328 HydrophobicContact CZ2-CG 4.14Å; W126-M328 HydrophobicContact CZ3-CG 4.19Å; W126-M328 HydrophobicContact CZ3-SD 4.38Å; I324-M328 HydrophobicContact CG2-CE 3.95Å; I324-M328 WeakPolarHBondContact O-CG 3.31Å; I324-M328 PolarHBondContact O-N 2.93Å; K325-M328 PolarHBondContact O-N 3.16Å; M328-T331 PolarHBondContact O-N 2.96Å; M328-T331 PolarHBondContact O-OG1 2.79Å; M328-L332 VanDerWaalsContact O-CB 3.28Å; M328-L332 WeakPolarHBondContact O-CB 3.43Å; M328-L332 PolarHBondContact O-N 3.48Å |
| 329 | V | 98.6 | Very high | 97.6 | Very high | 13 Ų | 13 | 19.5 Ų | 19.5 | 8% | 0.079 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61.6 | -46.9 | 178.1 | 171.8 | 0 | 0 | 0 | 0 | 111 | L26 L30 K42 L43 Q70 K325 A326 T331 S333 | L26-V329 HydrophobicContact CD2-CB 4.43Å; L26-V329 HydrophobicContact CD2-CG1 4.3Å; L30-V329 HydrophobicContact CD1-CB 4.48Å; L30-V329 HydrophobicContact CD1-CG2 4.29Å; K42-V329 HydrophobicContact CB-CG1 4.22Å; K42-V329 HydrophobicContact CG-CG1 4.29Å; L43-V329 HydrophobicContact CD1-CG2 4.21Å; L43-V329 HydrophobicContact CG-CG2 4.3Å; Q70-V329 HydrophobicContact CG-CG2 3.84Å; K325-V329 HydrophobicContact CG-CG2 4.37Å; K325-V329 WeakPolarHBondContact O-CB 3.38Å; K325-V329 VanDerWaalsContact O-CG2 3.3Å; K325-V329 WeakPolarHBondContact O-CG2 3.46Å; K325-V329 PolarHBondContact O-N 3Å; A326-V329 PolarHBondContact O-N 3.03Å; V329-T331 VanDerWaalsContact C-N 3.3Å; V329-T331 PolarHBondContact O-N 2.96Å; V329-S333 WeakPolarHBondContact O-CB 3.46Å; V329-S333 PolarHBondContact O-N 3.2Å |
| 330 | A | 98.5 | Very high | 97.5 | Very high | 8 Ų | 8 | 20.8 Ų | 20.8 | 7% | 0.066 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.9 | -34.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113 | F4 L23 L26 A326 V327 | F4-A330 CarbonylContact C-O 3.58Å; F4-A330 HydrophobicContact CB-CB 3.78Å; F4-A330 WeakPolarHBondContact CB-O 3.25Å; F4-A330 HydrophobicContact CD1-CB 4.46Å; F4-A330 HydrophobicContact CD2-CB 4.35Å; F4-A330 HydrophobicContact CG-CB 3.96Å; L23-A330 HydrophobicContact CD2-CB 3.72Å; L26-A330 HydrophobicContact CD2-CB 3.95Å; A326-A330 WeakPolarHBondContact O-CB 3.45Å; A326-A330 PolarHBondContact O-N 3.23Å; V327-A330 PolarHBondContact O-N 3.31Å |
| 331 | T | 98.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.012 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -91.5 | -22 | -175.2 | 57.2 | 0 | 0 | 0 | 0 | 113.8 | F4 H6 K7 W126 V327 M328 V329 | F4-T331 WeakPolarHBondContact O-CA 3.24Å; H6-T331 PolarHBondContact N-O 3.05Å; K7-T331 WeakPolarHBondContact O-CG2 3.42Å; W126-T331 PolarHBondContact NE1-OG1 2.75Å; V327-T331 WeakPolarHBondContact O-CB 3.17Å; V327-T331 VanDerWaalsContact O-CG2 3.31Å; V327-T331 WeakPolarHBondContact O-CG2 3.24Å; V327-T331 PolarHBondContact O-N 3.11Å; V327-T331 VanDerWaalsContact O-N 3.07Å; V327-T331 PolarHBondContact O-OG1 3.21Å; M328-T331 PolarHBondContact O-N 2.96Å; M328-T331 PolarHBondContact O-OG1 2.79Å; V329-T331 VanDerWaalsContact C-N 3.3Å; V329-T331 PolarHBondContact O-N 2.96Å |
| 332 | L | 98.5 | Very high | 97.3 | Very high | 9 Ų | 9 | 22.1 Ų | 22.1 | 5% | 0.047 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -111 | -20 | -178 | -65.2 | 176.6 | 0 | 0 | 0 | 115.3 | L43 I48 D102 P124 W126 M328 | L43-L332 HydrophobicContact CD1-CD1 4.34Å; L43-L332 HydrophobicContact CD2-CB 3.56Å; L43-L332 HydrophobicContact CD2-CD1 4.27Å; I48-L332 HydrophobicContact CD1-CD1 4.04Å; I48-L332 HydrophobicContact CG1-CD1 4.4Å; D102-L332 HydrophobicContact CB-CD2 4.39Å; D102-L332 WeakPolarHBondContact O-CD2 3.47Å; P124-L332 HydrophobicContact CB-CD2 4.45Å; P124-L332 HydrophobicContact CG-CD2 3.9Å; W126-L332 HydrophobicContact CH2-CD1 3.75Å; W126-L332 HydrophobicContact CH2-CG 4.27Å; W126-L332 HydrophobicContact CZ2-CD1 3.89Å; W126-L332 HydrophobicContact CZ2-CD2 4.34Å; W126-L332 HydrophobicContact CZ2-CG 3.92Å; M328-L332 VanDerWaalsContact O-CB 3.28Å; M328-L332 WeakPolarHBondContact O-CB 3.43Å; M328-L332 PolarHBondContact O-N 3.48Å |
| 333 | S | 95.7 | Very high | 97.2 | Very high | 34 Ų | 34 | 23.7 Ų | 23.7 | 24% | 0.238 | 12% | 0.117 | C | C | . | . | trans | -98.9 | 141.6 | 175.3 | -172.8 | 0 | 0 | 0 | 0 | 110.8 | Y5 V329 | Y5-S333 WeakPolarHBondContact CD2-O 3.32Å; V329-S333 WeakPolarHBondContact O-CB 3.46Å; V329-S333 PolarHBondContact O-N 3.2Å | ||
| 334 | K | 83.8 | Confident | 97.1 | Very high | 212 Ų | 212 | 25.6 Ų | 25.6 | 92% | 0.922 | 13% | 0.126 | S | C | * | . | trans | -78.8 | 0 | 168.6 | -68.1 | -175.6 | -179.7 | 178.6 | 0 | 111.8 | Y5 | Y5-K334 HydrophobicContact CD1-CG 4.36Å; Y5-K334 HydrophobicContact CD2-CG 3.91Å; Y5-K334 HydrophobicContact CE1-CD 4.43Å; Y5-K334 HydrophobicContact CE1-CG 4.03Å; Y5-K334 HydrophobicContact CE2-CG 3.55Å; Y5-K334 HydrophobicContact CG-CG 4.3Å; Y5-K334 VanDerWaalsContact CZ-CE 3.4Å; Y5-K334 VanDerWaalsContact OH-CE 3.31Å; Y5-K334 WeakPolarHBondContact OH-CE 3.31Å |
Retrieved 334 of 334 residues in 243.6 ms
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