| 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 | 44.1 | Very low | 86.3 | Confident | 239 Ų | 239 | 78.3 Ų | 78.3 | 100% | 1.177 | 42% | 0.415 | S | S | * | . | 0 | 135.3 | 0 | -69.7 | -176.8 | -167.7 | 0 | 0 | 107.9 | T3 | M1-T3 PolarHBondContact O-N 2.79Š| |||
| 2 | S | 57.7 | Low | 87.3 | Confident | 39 Ų | 39 | 72.5 Ų | 72.5 | 27% | 0.273 | 39% | 0.385 | S | S | . | . | trans | -55.8 | 133.4 | 173.3 | -178.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 3 | T | 75.3 | Confident | 88.1 | Confident | 78 Ų | 78 | 75.1 Ų | 75.1 | 48% | 0.479 | 39% | 0.393 | S | S | . | . | trans | -58.9 | 148.1 | 170.9 | 61.3 | 0 | 0 | 0 | 0 | 108.6 | M1 H5 L16 | M1-T3 PolarHBondContact O-N 2.79Å; T3-H5 VanDerWaalsContact C-N 3.35Å; T3-H5 WeakPolarHBondContact CB-O 3.07Å; T3-H5 PolarHBondContact OG1-O 2.86Å; T3-H5 VanDerWaalsContact OG1-O 3.13Å; T3-L16 WeakPolarHBondContact O-CD1 3.43Å | ||
| 4 | R | 90.1 | Very high | 88.8 | Confident | 157 Ų | 157 | 69.7 Ų | 69.7 | 59% | 0.592 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -90.7 | -5.1 | 176.3 | -68.6 | -169.2 | 178.6 | -163.8 | 0.5 | 112.9 | P15 L16 F288 | R4-P15 WeakPolarHBondContact O-CA 3.39Å; R4-L16 PolarHBondContact O-N 2.97Å; R4-F288 HydrophobicContact CB-CE1 4.35Å; R4-F288 HydrophobicContact CB-CZ 4.37Å; R4-F288 HydrophobicContact CG-CD1 4.12Å; R4-F288 HydrophobicContact CG-CE1 3.97Å; R4-F288 HydrophobicContact CG-CE2 4.41Å; R4-F288 HydrophobicContact CG-CG 4.42Å; R4-F288 HydrophobicContact CG-CZ 4.11Å |
| 5 | H | 96.2 | Very high | 89.4 | Confident | 70 Ų | 70 | 66.7 Ų | 66.7 | 32% | 0.324 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 159.7 | -175.1 | 57.7 | -92.3 | 0 | 0 | 0 | 110.4 | T3 H13 M14 | T3-H5 VanDerWaalsContact C-N 3.35Å; T3-H5 WeakPolarHBondContact CB-O 3.07Å; T3-H5 PolarHBondContact OG1-O 2.86Å; T3-H5 VanDerWaalsContact OG1-O 3.13Å; H5-H13 AromaticContact CD2-CE1 3.96Å; H5-H13 AromaticContact CD2-CG 3.89Å; H5-H13 AromaticContact CD2-ND1 3.16Å; H5-H13 PolarHBondContact CD2-ND1 3.27Å; H5-H13 AromaticContact CE1-ND1 3.66Å; H5-H13 AromaticContact CG-ND1 3.87Å; H5-H13 AromaticContact NE2-CE1 3.48Å; H5-H13 PolarHBondContact NE2-CE1 3.37Å; H5-H13 AromaticContact NE2-ND1 3Å; H5-H13 PolarHBondContact NE2-ND1 2.84Å; H5-M14 CarbonylContact C-O 3.56Å; H5-M14 WeakPolarHBondContact CA-O 3.4Å; H5-M14 VanDerWaalsContact CB-O 3.23Å; H5-M14 WeakPolarHBondContact CB-O 3.47Å |
| 6 | V | 96.3 | Very high | 90 | Very high | 11 Ų | 11 | 62.6 Ų | 62.6 | 7% | 0.067 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 151.8 | 160.2 | -61.9 | 0 | 0 | 0 | 0 | 108.9 | L8 M14 L16 N268 | V6-L8 HydrophobicContact CG2-CD2 4.41Å; V6-M14 HydrophobicContact CG2-CB 4.03Å; V6-M14 HydrophobicContact CG2-CE 3.58Å; V6-M14 PolarHBondContact N-O 3.16Å; V6-M14 PolarHBondContact O-N 2.92Å; V6-L16 HydrophobicContact CG1-CD1 4.49Å; V6-L16 HydrophobicContact CG1-CD2 3.63Å; V6-L16 HydrophobicContact CG1-CG 4.04Å; V6-N268 VanDerWaalsContact CG1-OD1 3.24Å; V6-N268 WeakPolarHBondContact CG1-OD1 3.33Å |
| 7 | V | 97.4 | Very high | 90.5 | Very high | 84 Ų | 84 | 59.1 Ų | 59.1 | 51% | 0.509 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 117.7 | 172 | -174.4 | 0 | 0 | 0 | 0 | 106.9 | ||
| 8 | L | 98.5 | Very high | 90.9 | Very high | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.016 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 157.3 | 173 | -57.8 | -172.9 | 0 | 0 | 0 | 109.3 | V6 N10 G11 V12 M14 F75 S161 H184 S209 | V6-L8 HydrophobicContact CG2-CD2 4.41Å; L8-N10 VanDerWaalsContact CB-OD1 3.23Å; L8-N10 WeakPolarHBondContact CB-OD1 3.46Å; L8-N10 PolarHBondContact O-N 2.79Å; L8-G11 PolarHBondContact O-N 3.08Å; L8-V12 HydrophobicContact CB-CB 4.36Å; L8-V12 WeakPolarHBondContact CB-O 3.46Å; L8-V12 HydrophobicContact CD1-CB 4.15Å; L8-V12 HydrophobicContact CD1-CG1 4.36Å; L8-V12 HydrophobicContact CG-CB 4.45Å; L8-V12 WeakPolarHBondContact CG-O 3.23Å; L8-V12 PolarHBondContact N-O 2.65Å; L8-M14 HydrophobicContact CD1-CB 4.39Å; L8-M14 HydrophobicContact CD2-CB 4.08Å; L8-M14 HydrophobicContact CD2-CE 4.32Å; L8-M14 HydrophobicContact CD2-SD 4.29Å; L8-M14 HydrophobicContact CG-CB 4.15Å; L8-F75 HydrophobicContact CD1-CE2 4.42Å; L8-F75 HydrophobicContact CD1-CZ 4.16Å; L8-S161 WeakPolarHBondContact CD1-OG 3.4Å; L8-H184 HydrophobicContact CB-CB 4.42Å; L8-H184 HydrophobicContact CD1-CB 4.15Å; L8-S209 WeakPolarHBondContact CD2-OG 3.44Å |
| 9 | H | 97.8 | Very high | 91.3 | Very high | 72 Ų | 72 | 52.9 Ų | 52.9 | 33% | 0.333 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -12.5 | -174 | 68.9 | 72.2 | 0 | 0 | 0 | 114.4 | K182 P183 H184 S207 | H9-K182 PolarHBondContact CE1-O 2.77Å; H9-K182 PolarHBondContact NE2-O 2.83Å; H9-P183 PolarHBondContact NE2-O 2.91Å; H9-H184 AromaticContact CD2-CD2 3.8Å; H9-H184 AromaticContact CE1-CD2 3.22Å; H9-H184 PolarHBondContact CE1-CD2 3.16Å; H9-H184 AromaticContact CE1-CE1 3.96Å; H9-H184 AromaticContact CE1-CG 3.93Å; H9-H184 AromaticContact CE1-NE2 3.26Å; H9-H184 PolarHBondContact CE1-NE2 2.82Å; H9-H184 VanDerWaalsContact CE1-NE2 3.26Å; H9-H184 AromaticContact ND1-CD2 3.74Å; H9-H184 AromaticContact ND1-NE2 3.93Å; H9-H184 AromaticContact NE2-CD2 3.26Å; H9-H184 PolarHBondContact NE2-CD2 3.29Å; H9-H184 VanDerWaalsContact NE2-CD2 3.26Å; H9-H184 AromaticContact NE2-CG 3.56Å; H9-H184 AromaticContact NE2-NE2 3.71Å; H9-S207 PolarHBondContact CD2-O 3.25Å |
| 10 | N | 97.9 | Very high | 91.7 | Very high | 64 Ų | 64 | 50.5 Ų | 50.5 | 34% | 0.342 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 9.8 | 170.7 | 66.9 | -9.4 | 0 | 0 | 0 | 114.2 | L8 V12 R160 S161 H184 | L8-N10 VanDerWaalsContact CB-OD1 3.23Å; L8-N10 WeakPolarHBondContact CB-OD1 3.46Å; L8-N10 PolarHBondContact O-N 2.79Å; N10-V12 VanDerWaalsContact C-N 3.35Å; N10-V12 PolarHBondContact O-N 3.46Å; N10-V12 WeakPolarHBondContact OD1-CB 3.44Å; N10-V12 WeakPolarHBondContact OD1-CG2 3.48Å; N10-V12 PolarHBondContact OD1-N 2.75Å; N10-R160 PolarHBondContact ND2-O 3.48Å; N10-S161 PolarHBondContact ND2-OG 3.49Å; N10-H184 WeakPolarHBondContact CB-NE2 3.44Å; N10-H184 PolarHBondContact ND2-CD2 3.04Å; N10-H184 VanDerWaalsContact ND2-CD2 3.33Å; N10-H184 PolarHBondContact ND2-NE2 3.47Å; N10-H184 VanDerWaalsContact ND2-NE2 3.2Å |
| 11 | G | 97.9 | Very high | 92 | Very high | 44 Ų | 44 | 48.1 Ų | 48.1 | 45% | 0.454 | 25% | 0.254 | S | S | . | . | S | Bend | trans | 83.7 | -1.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | L8 H13 | L8-G11 PolarHBondContact O-N 3.08Å; G11-H13 PolarHBondContact O-CD2 2.84Å |
| 12 | V | 98 | Very high | 94.5 | Very high | 9 Ų | 9 | 39 Ų | 39 | 6% | 0.055 | 21% | 0.207 | C | C | . | . | trans | -72.6 | 132.6 | 177.4 | 179.5 | 0 | 0 | 0 | 0 | 110.3 | L8 N10 F75 R160 | L8-V12 HydrophobicContact CB-CB 4.36Å; L8-V12 WeakPolarHBondContact CB-O 3.46Å; L8-V12 HydrophobicContact CD1-CB 4.15Å; L8-V12 HydrophobicContact CD1-CG1 4.36Å; L8-V12 HydrophobicContact CG-CB 4.45Å; L8-V12 WeakPolarHBondContact CG-O 3.23Å; L8-V12 PolarHBondContact N-O 2.65Å; N10-V12 VanDerWaalsContact C-N 3.35Å; N10-V12 PolarHBondContact O-N 3.46Å; N10-V12 WeakPolarHBondContact OD1-CB 3.44Å; N10-V12 WeakPolarHBondContact OD1-CG2 3.48Å; N10-V12 PolarHBondContact OD1-N 2.75Å; V12-F75 HydrophobicContact CG1-CD2 4.41Å; V12-F75 HydrophobicContact CG1-CE2 3.71Å; V12-R160 HydrophobicContact CG2-CB 4.36Å | ||
| 13 | H | 97.6 | Very high | 96.1 | Very high | 106 Ų | 106 | 39.5 Ų | 39.5 | 49% | 0.491 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 114.8 | 176.7 | -69.5 | -129.6 | 0 | 0 | 0 | 110.2 | H5 G11 F75 | H5-H13 AromaticContact CD2-CE1 3.96Å; H5-H13 AromaticContact CD2-CG 3.89Å; H5-H13 AromaticContact CD2-ND1 3.16Å; H5-H13 PolarHBondContact CD2-ND1 3.27Å; H5-H13 AromaticContact CE1-ND1 3.66Å; H5-H13 AromaticContact CG-ND1 3.87Å; H5-H13 AromaticContact NE2-CE1 3.48Å; H5-H13 PolarHBondContact NE2-CE1 3.37Å; H5-H13 AromaticContact NE2-ND1 3Å; H5-H13 PolarHBondContact NE2-ND1 2.84Å; G11-H13 PolarHBondContact O-CD2 2.84Å; H13-F75 WeakPolarHBondContact O-CD2 3.46Å |
| 14 | M | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 121.6 | 175.8 | -175.8 | 179.8 | 74.6 | 0 | 0 | 110.1 | H5 V6 L8 M43 F75 L108 A270 | H5-M14 CarbonylContact C-O 3.56Å; H5-M14 WeakPolarHBondContact CA-O 3.4Å; H5-M14 VanDerWaalsContact CB-O 3.23Å; H5-M14 WeakPolarHBondContact CB-O 3.47Å; V6-M14 HydrophobicContact CG2-CB 4.03Å; V6-M14 HydrophobicContact CG2-CE 3.58Å; V6-M14 PolarHBondContact N-O 3.16Å; V6-M14 PolarHBondContact O-N 2.92Å; L8-M14 HydrophobicContact CD1-CB 4.39Å; L8-M14 HydrophobicContact CD2-CB 4.08Å; L8-M14 HydrophobicContact CD2-CE 4.32Å; L8-M14 HydrophobicContact CD2-SD 4.29Å; L8-M14 HydrophobicContact CG-CB 4.15Å; M14-M43 HydrophobicContact CG-SD 3.8Å; M14-M43 HydrophobicContact SD-SD 4.28Å; M14-F75 HydrophobicContact CB-CD2 4.27Å; M14-F75 HydrophobicContact CB-CE1 4.39Å; M14-F75 HydrophobicContact CB-CE2 3.73Å; M14-F75 HydrophobicContact CB-CZ 3.81Å; M14-F75 HydrophobicContact CG-CD1 4.13Å; M14-F75 HydrophobicContact CG-CD2 4.35Å; M14-F75 HydrophobicContact CG-CE1 3.69Å; M14-F75 HydrophobicContact CG-CE2 3.93Å; M14-F75 HydrophobicContact CG-CG 4.44Å; M14-F75 HydrophobicContact CG-CZ 3.59Å; M14-F75 HydrophobicContact SD-CE1 4.03Å; M14-F75 HydrophobicContact SD-CZ 4.02Å; M14-L108 HydrophobicContact SD-CD2 4.24Å; M14-A270 HydrophobicContact CE-CB 3.82Å |
| 15 | P | 98.5 | Very high | 97.3 | Very high | 25 Ų | 25 | 32.3 Ų | 32.3 | 16% | 0.162 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57 | 142.9 | 175.5 | -24.7 | 34.7 | 0 | 0 | 0 | 112.5 | R4 V17 R42 M43 F75 | R4-P15 WeakPolarHBondContact O-CA 3.39Å; P15-V17 VanDerWaalsContact C-N 3.28Å; P15-V17 PolarHBondContact O-N 3.42Å; P15-R42 HydrophobicContact CG-CB 4.29Å; P15-M43 HydrophobicContact CB-CB 3.84Å; P15-M43 HydrophobicContact CG-CB 3.85Å; P15-M43 WeakPolarHBondContact O-CE 3.34Å; P15-F75 HydrophobicContact CG-CB 4.17Å |
| 16 | L | 98.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -76.6 | -15.9 | 176.9 | -85.6 | 169.8 | 0 | 0 | 0 | 113.1 | T3 R4 V6 L265 A270 V271 | T3-L16 WeakPolarHBondContact O-CD1 3.43Å; R4-L16 PolarHBondContact O-N 2.97Å; V6-L16 HydrophobicContact CG1-CD1 4.49Å; V6-L16 HydrophobicContact CG1-CD2 3.63Å; V6-L16 HydrophobicContact CG1-CG 4.04Å; L16-L265 HydrophobicContact CB-CG 4.4Å; L16-A270 HydrophobicContact CD2-CB 4.12Å; L16-A270 CarbonylContact O-C 3.43Å; L16-A270 VanDerWaalsContact O-CA 3.24Å; L16-A270 WeakPolarHBondContact O-CA 3.41Å; L16-V271 PolarHBondContact O-N 3.47Å |
| 17 | V | 98.5 | Very high | 97.4 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.018 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -128.4 | 120.4 | -180 | -174.9 | 0 | 0 | 0 | 0 | 108.8 | P15 Y41 L265 V271 F285 L287 F288 | P15-V17 VanDerWaalsContact C-N 3.28Å; P15-V17 PolarHBondContact O-N 3.42Å; V17-Y41 HydrophobicContact CG1-CD1 4.24Å; V17-Y41 HydrophobicContact CG1-CE1 3.64Å; V17-L265 HydrophobicContact CG2-CD1 4.23Å; V17-L265 HydrophobicContact CG2-CD2 3.88Å; V17-V271 WeakPolarHBondContact CA-O 3.45Å; V17-V271 HydrophobicContact CB-CG2 4.48Å; V17-V271 HydrophobicContact CG1-CG2 4.31Å; V17-V271 HydrophobicContact CG2-CG2 4.14Å; V17-F285 HydrophobicContact CB-CD2 4.29Å; V17-F285 HydrophobicContact CB-CE2 4.38Å; V17-F285 HydrophobicContact CG1-CD2 3.9Å; V17-F285 HydrophobicContact CG1-CE2 4.44Å; V17-L287 HydrophobicContact CG2-CD1 3.95Å; V17-F288 HydrophobicContact CG2-CE2 4.05Å; V17-F288 HydrophobicContact CG2-CZ 3.69Å |
| 18 | G | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 165.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y41 M43 V271 I272 P273 | G18-Y41 VanDerWaalsContact C-CD1 3.44Å; G18-Y41 WeakPolarHBondContact O-CE1 3.32Å; G18-M43 CarbonylContact C-O 3.55Å; G18-M43 WeakPolarHBondContact CA-O 3.33Å; G18-V271 PolarHBondContact N-O 3.38Å; G18-I272 WeakPolarHBondContact O-CA 3.17Å; G18-P273 WeakPolarHBondContact O-CD 3.27Å |
| 19 | F | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 0% | 0.004 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 112.4 | 179 | -174.7 | -103.5 | 0 | 0 | 0 | 109.5 | T21 I29 C32 L33 A36 Y41 M43 D45 I281 | F19-T21 HydrophobicContact CD1-CG2 3.76Å; F19-T21 HydrophobicContact CE1-CG2 3.98Å; F19-I29 HydrophobicContact CE1-CD1 4.36Å; F19-C32 HydrophobicContact CZ-CB 4Å; F19-L33 HydrophobicContact CD1-CD1 3.99Å; F19-L33 HydrophobicContact CE1-CD1 4.49Å; F19-A36 HydrophobicContact CB-CB 4.37Å; F19-A36 HydrophobicContact CD2-CB 3.8Å; F19-A36 HydrophobicContact CE2-CB 4.3Å; F19-A36 HydrophobicContact CG-CB 4.08Å; F19-Y41 HydrophobicContact CB-CD1 3.96Å; F19-Y41 HydrophobicContact CB-CE1 4.39Å; F19-Y41 HydrophobicContact CB-CG 4.45Å; F19-M43 PolarHBondContact N-O 3.22Å; F19-D45 PolarHBondContact O-N 3.19Å; F19-I281 HydrophobicContact CE2-CD1 3.97Å; F19-I281 HydrophobicContact CE2-CG1 4Å; F19-I281 HydrophobicContact CE2-CG2 4.49Å; F19-I281 HydrophobicContact CZ-CD1 4.48Å |
| 20 | G | 98.4 | Very high | 97.5 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 4% | 0.041 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 131.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I272 K274 | G20-I272 WeakPolarHBondContact CA-O 3.07Å; G20-K274 WeakPolarHBondContact O-CA 3.38Å; G20-K274 VanDerWaalsContact O-CB 3.28Å; G20-K274 WeakPolarHBondContact O-CB 3.35Å; G20-K274 WeakPolarHBondContact O-CG 3.46Å |
| 21 | T | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -110.1 | -0.9 | -173.2 | 63.2 | 0 | 0 | 0 | 0 | 114.7 | F19 T23 V24 I29 I44 D45 T46 N52 I56 | F19-T21 HydrophobicContact CD1-CG2 3.76Å; F19-T21 HydrophobicContact CE1-CG2 3.98Å; T21-T23 PolarHBondContact O-N 2.96Å; T21-V24 WeakPolarHBondContact O-CB 3.34Å; T21-V24 WeakPolarHBondContact O-CG2 3.47Å; T21-V24 PolarHBondContact O-N 3.32Å; T21-I29 HydrophobicContact CG2-CD1 3.87Å; T21-I44 HydrophobicContact CG2-CG2 4.04Å; T21-D45 WeakPolarHBondContact CB-O 3.09Å; T21-D45 WeakPolarHBondContact CG2-O 3.44Å; T21-D45 PolarHBondContact N-O 3.18Å; T21-D45 VanDerWaalsContact N-O 3.12Å; T21-D45 PolarHBondContact OG1-O 3.17Å; T21-T46 WeakPolarHBondContact OG1-CA 3.44Å; T21-N52 PolarHBondContact O-ND2 3.47Å; T21-I56 HydrophobicContact CG2-CD1 3.78Å; T21-I56 HydrophobicContact CG2-CG1 4.44Å | ||
| 22 | W | 95.7 | Very high | 97.5 | Very high | 48 Ų | 48 | 35.3 Ų | 35.3 | 18% | 0.182 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | 137.7 | 176.4 | -176.3 | 46 | 0 | 0 | 0 | 111.6 | V24 Y50 R221 H224 A227 K274 F310 | W22-V24 PolarHBondContact O-N 2.92Å; W22-Y50 HydrophobicContact CB-CD1 4.07Å; W22-Y50 HydrophobicContact CB-CD2 4.05Å; W22-Y50 HydrophobicContact CB-CE1 3.96Å; W22-Y50 HydrophobicContact CB-CE2 3.93Å; W22-Y50 HydrophobicContact CB-CG 4.15Å; W22-Y50 AromaticContact CD1-CD1 3.31Å; W22-Y50 AromaticContact CD1-CE1 3.57Å; W22-Y50 AromaticContact CD1-CG 3.97Å; W22-Y50 AromaticContact CG-CD1 3.95Å; W22-Y50 HydrophobicContact CG-CD1 3.95Å; W22-Y50 AromaticContact CG-CE1 3.87Å; W22-Y50 HydrophobicContact CG-CE1 3.87Å; W22-Y50 HydrophobicContact CG-CG 4.44Å; W22-R221 HydrophobicContact CH2-CB 3.89Å; W22-R221 HydrophobicContact CZ3-CB 4.06Å; W22-H224 AromaticContact CE2-CD2 3.75Å; W22-H224 AromaticContact CE2-NE2 3.89Å; W22-H224 HydrophobicContact CZ2-CB 4.03Å; W22-H224 AromaticContact CZ2-CD2 3.67Å; W22-H224 AromaticContact CZ2-CG 3.57Å; W22-H224 AromaticContact CZ2-ND1 3.83Å; W22-H224 AromaticContact CZ2-NE2 3.96Å; W22-H224 AromaticContact NE1-CD2 3.4Å; W22-H224 PolarHBondContact NE1-CD2 3.43Å; W22-H224 AromaticContact NE1-CE1 3.99Å; W22-H224 AromaticContact NE1-NE2 3.23Å; W22-H224 PolarHBondContact NE1-NE2 2.96Å; W22-A227 HydrophobicContact CH2-CB 4Å; W22-K274 WeakPolarHBondContact O-CE 3.44Å; W22-K274 WeakPolarHBondContact O-CG 3.3Å; W22-F310 HydrophobicContact CE3-CE1 4.42Å; W22-F310 AromaticContact CH2-CE1 3.51Å; W22-F310 HydrophobicContact CH2-CE1 3.51Å; W22-F310 HydrophobicContact CH2-CZ 4.2Å; W22-F310 AromaticContact CZ3-CE1 3.4Å; W22-F310 HydrophobicContact CZ3-CE1 3.4Å; W22-F310 AromaticContact CZ3-CZ 3.68Å; W22-F310 HydrophobicContact CZ3-CZ 3.68Å |
| 23 | T | 92.6 | Very high | 97.5 | Very high | 49 Ų | 49 | 34.9 Ų | 34.9 | 30% | 0.301 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 17.4 | -176 | 98.2 | 0 | 0 | 0 | 0 | 115 | T21 K274 | T21-T23 PolarHBondContact O-N 2.96Å; T23-K274 PolarHBondContact O-NZ 3.14Å; T23-K274 PolarHBondContact OG1-NZ 3.31Å |
| 24 | V | 94.6 | Very high | 97.6 | Very high | 5 Ų | 5 | 31.1 Ų | 31.1 | 3% | 0.03 | 17% | 0.165 | C | C | . | . | trans | -95.6 | 122.7 | 171.9 | -169.5 | 0 | 0 | 0 | 0 | 108.1 | T21 W22 L28 I29 N52 K274 T276 | T21-V24 WeakPolarHBondContact O-CB 3.34Å; T21-V24 WeakPolarHBondContact O-CG2 3.47Å; T21-V24 PolarHBondContact O-N 3.32Å; W22-V24 PolarHBondContact O-N 2.92Å; V24-L28 HydrophobicContact CG1-CB 3.57Å; V24-I29 HydrophobicContact CB-CD1 3.79Å; V24-I29 HydrophobicContact CB-CG1 4.12Å; V24-I29 HydrophobicContact CG1-CD1 3.6Å; V24-I29 HydrophobicContact CG1-CG1 3.74Å; V24-I29 HydrophobicContact CG2-CD1 4.43Å; V24-N52 PolarHBondContact O-ND2 3.23Å; V24-K274 HydrophobicContact CG2-CD 4.18Å; V24-K274 HydrophobicContact CG2-CG 3.78Å; V24-T276 HydrophobicContact CG1-CG2 4.04Å; V24-T276 HydrophobicContact CG2-CG2 4.24Å | ||
| 25 | T | 95.7 | Very high | 97.6 | Very high | 80 Ų | 80 | 31.6 Ų | 31.6 | 49% | 0.491 | 17% | 0.167 | S | C | . | . | trans | -70.4 | 161.2 | 174.7 | 57.8 | 0 | 0 | 0 | 0 | 111 | D27 L28 I29 | T25-D27 VanDerWaalsContact C-N 3.33Å; T25-D27 PolarHBondContact O-N 3.32Å; T25-L28 CarbonylContact O-C 3.58Å; T25-L28 PolarHBondContact O-N 2.8Å; T25-L28 VanDerWaalsContact O-N 3.09Å; T25-L28 WeakPolarHBondContact OG1-CD1 3.35Å; T25-L28 WeakPolarHBondContact OG1-CG 3.45Å; T25-I29 PolarHBondContact O-N 2.94Å | ||
| 26 | D | 97.7 | Very high | 97.6 | Very high | 54 Ų | 54 | 30.4 Ų | 30.4 | 29% | 0.289 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -54.8 | -45.8 | 180 | -74.8 | -0.6 | 0 | 0 | 0 | 113.2 | L28 I29 R30 N52 A55 | D26-L28 VanDerWaalsContact C-N 3.3Å; D26-L28 PolarHBondContact O-N 3.05Å; D26-I29 WeakPolarHBondContact O-CB 3.5Å; D26-I29 PolarHBondContact O-N 3.3Å; D26-I29 VanDerWaalsContact O-N 3.11Å; D26-R30 WeakPolarHBondContact O-CG 3.39Å; D26-R30 PolarHBondContact O-N 3.09Å; D26-N52 VanDerWaalsContact OD1-CA 3.24Å; D26-N52 WeakPolarHBondContact OD1-CA 3.46Å; D26-N52 WeakPolarHBondContact OD1-CB 3.43Å; D26-A55 HydrophobicContact CB-CB 3.75Å |
| 27 | D | 97.8 | Very high | 97.6 | Very high | 113 Ų | 113 | 30.4 Ų | 30.4 | 60% | 0.604 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -61.3 | -41.5 | 177.9 | -64.5 | -20.5 | 0 | 0 | 0 | 111.5 | T25 I29 R30 D31 | T25-D27 VanDerWaalsContact C-N 3.33Å; T25-D27 PolarHBondContact O-N 3.32Å; D27-I29 VanDerWaalsContact C-N 3.33Å; D27-I29 PolarHBondContact O-N 3.41Å; D27-R30 PolarHBondContact O-N 2.72Å; D27-R30 IonicContact OD1-NH1 2.73Å; D27-R30 PolarHBondContact OD1-NH1 3.33Å; D27-D31 PolarHBondContact O-N 2.88Å |
| 28 | L | 97.6 | Very high | 97.6 | Very high | 62 Ų | 62 | 36.1 Ų | 36.1 | 33% | 0.325 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -70.1 | -29.2 | 176.8 | -69.1 | 174 | 0 | 0 | 0 | 112.2 | V24 T25 D26 D31 C32 T276 | V24-L28 HydrophobicContact CG1-CB 3.57Å; T25-L28 CarbonylContact O-C 3.58Å; T25-L28 PolarHBondContact O-N 2.8Å; T25-L28 VanDerWaalsContact O-N 3.09Å; T25-L28 WeakPolarHBondContact OG1-CD1 3.35Å; T25-L28 WeakPolarHBondContact OG1-CG 3.45Å; D26-L28 VanDerWaalsContact C-N 3.3Å; D26-L28 PolarHBondContact O-N 3.05Å; L28-D31 PolarHBondContact O-N 2.82Å; L28-C32 WeakPolarHBondContact O-CB 3.26Å; L28-C32 PolarHBondContact O-N 3.31Å; L28-C32 PolarHBondContact O-SG 3.22Å; L28-T276 HydrophobicContact CB-CG2 4.21Å; L28-T276 HydrophobicContact CD1-CG2 3.84Å; L28-T276 HydrophobicContact CG-CG2 4.48Å |
| 29 | I | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.2 | -48.4 | 170.2 | -73.1 | -63.8 | 0 | 0 | 0 | 109.9 | F19 T21 V24 T25 D26 D27 D31 C32 L33 N52 A55 I56 V59 | F19-I29 HydrophobicContact CE1-CD1 4.36Å; T21-I29 HydrophobicContact CG2-CD1 3.87Å; V24-I29 HydrophobicContact CB-CD1 3.79Å; V24-I29 HydrophobicContact CB-CG1 4.12Å; V24-I29 HydrophobicContact CG1-CD1 3.6Å; V24-I29 HydrophobicContact CG1-CG1 3.74Å; V24-I29 HydrophobicContact CG2-CD1 4.43Å; T25-I29 PolarHBondContact O-N 2.94Å; D26-I29 WeakPolarHBondContact O-CB 3.5Å; D26-I29 PolarHBondContact O-N 3.3Å; D26-I29 VanDerWaalsContact O-N 3.11Å; D27-I29 VanDerWaalsContact C-N 3.33Å; D27-I29 PolarHBondContact O-N 3.41Å; I29-D31 PolarHBondContact O-N 2.97Å; I29-C32 PolarHBondContact O-N 3.02Å; I29-L33 HydrophobicContact CG2-CB 4.38Å; I29-L33 HydrophobicContact CG2-CD2 4.36Å; I29-L33 VanDerWaalsContact O-CB 3.27Å; I29-L33 WeakPolarHBondContact O-CB 3.44Å; I29-L33 PolarHBondContact O-N 2.98Å; I29-N52 HydrophobicContact CG1-CB 4.13Å; I29-A55 HydrophobicContact CB-CB 4.08Å; I29-A55 HydrophobicContact CG2-CB 3.91Å; I29-I56 HydrophobicContact CD1-CD1 4.29Å; I29-I56 HydrophobicContact CD1-CG1 3.94Å; I29-I56 HydrophobicContact CG1-CG1 4.17Å; I29-I56 HydrophobicContact CG2-CB 4.44Å; I29-I56 HydrophobicContact CG2-CG1 3.74Å; I29-V59 HydrophobicContact CG2-CG2 4.32Å |
| 30 | R | 98.3 | Very high | 97.5 | Very high | 91 Ų | 91 | 38.4 Ų | 38.4 | 34% | 0.343 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.4 | -30.3 | 179.3 | -66.3 | -177 | -169.8 | 96.6 | 5.2 | 112.3 | D26 D27 P34 A55 E58 V59 | D26-R30 WeakPolarHBondContact O-CG 3.39Å; D26-R30 PolarHBondContact O-N 3.09Å; D27-R30 PolarHBondContact O-N 2.72Å; D27-R30 IonicContact OD1-NH1 2.73Å; D27-R30 PolarHBondContact OD1-NH1 3.33Å; R30-P34 VanDerWaalsContact O-CD 3.29Å; R30-P34 WeakPolarHBondContact O-CD 3.4Å; R30-P34 VanDerWaalsContact O-CG 3.26Å; R30-P34 WeakPolarHBondContact O-CG 3.29Å; R30-A55 HydrophobicContact CG-CB 4.49Å; R30-E58 IonicContact CZ-OE2 3.42Å; R30-E58 VanDerWaalsContact CZ-OE2 3.26Å; R30-E58 IonicContact NE-OE2 3.17Å; R30-E58 PolarHBondContact NE-OE2 3.35Å; R30-E58 IonicContact NH2-OE1 2.75Å; R30-E58 IonicContact NH2-OE2 2.9Å; R30-E58 PolarHBondContact NH2-OE2 3.06Å; R30-V59 HydrophobicContact CB-CG2 4.44Å; R30-V59 HydrophobicContact CG-CG2 4.14Å |
| 31 | D | 97.9 | Very high | 97.5 | Very high | 88 Ų | 88 | 38.3 Ų | 38.3 | 47% | 0.471 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -85.5 | -38.3 | 176.4 | -77 | -18 | 0 | 0 | 0 | 114.9 | D27 L28 I29 V35 | D27-D31 PolarHBondContact O-N 2.88Å; L28-D31 PolarHBondContact O-N 2.82Å; I29-D31 PolarHBondContact O-N 2.97Å; D31-V35 WeakPolarHBondContact O-CG2 3.15Å |
| 32 | C | 98.3 | Very high | 97.5 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.014 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -96.9 | -35 | -166.9 | -64.6 | 0 | 0 | 0 | 0 | 113.4 | F19 L28 I29 V35 A36 I281 | F19-C32 HydrophobicContact CZ-CB 4Å; L28-C32 WeakPolarHBondContact O-CB 3.26Å; L28-C32 PolarHBondContact O-N 3.31Å; L28-C32 PolarHBondContact O-SG 3.22Å; I29-C32 PolarHBondContact O-N 3.02Å; C32-V35 WeakPolarHBondContact O-CB 3.45Å; C32-V35 PolarHBondContact O-N 3.43Å; C32-A36 PolarHBondContact O-N 3.12Å; C32-I281 HydrophobicContact CB-CD1 3.62Å |
| 33 | L | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.1 | -38.8 | -179.2 | -176.5 | 58 | 0 | 0 | 0 | 112.3 | F19 I29 V35 A36 F37 I44 I56 V59 | F19-L33 HydrophobicContact CD1-CD1 3.99Å; F19-L33 HydrophobicContact CE1-CD1 4.49Å; I29-L33 HydrophobicContact CG2-CB 4.38Å; I29-L33 HydrophobicContact CG2-CD2 4.36Å; I29-L33 VanDerWaalsContact O-CB 3.27Å; I29-L33 WeakPolarHBondContact O-CB 3.44Å; I29-L33 PolarHBondContact O-N 2.98Å; L33-V35 VanDerWaalsContact C-N 3.31Å; L33-V35 PolarHBondContact O-N 3.24Å; L33-A36 HydrophobicContact CD1-CB 4.44Å; L33-A36 WeakPolarHBondContact O-CB 3.5Å; L33-A36 PolarHBondContact O-N 3.02Å; L33-A36 VanDerWaalsContact O-N 3.13Å; L33-F37 HydrophobicContact CD1-CD1 4.19Å; L33-F37 HydrophobicContact CD1-CE1 3.61Å; L33-F37 HydrophobicContact CD1-CE2 4.29Å; L33-F37 HydrophobicContact CD1-CZ 3.68Å; L33-F37 HydrophobicContact CD2-CE2 4.27Å; L33-F37 HydrophobicContact CD2-CZ 3.95Å; L33-F37 HydrophobicContact CG-CD2 4.41Å; L33-F37 HydrophobicContact CG-CE1 4.09Å; L33-F37 HydrophobicContact CG-CE2 3.85Å; L33-F37 HydrophobicContact CG-CZ 3.66Å; L33-F37 WeakPolarHBondContact O-CG 3.42Å; L33-F37 PolarHBondContact O-N 3.17Å; L33-I44 HydrophobicContact CD1-CD1 4.4Å; L33-I44 HydrophobicContact CD1-CG1 4.15Å; L33-I56 HydrophobicContact CD2-CG2 4.22Å; L33-V59 HydrophobicContact CB-CG1 4.06Å; L33-V59 HydrophobicContact CD2-CB 4.02Å; L33-V59 HydrophobicContact CD2-CG1 3.84Å; L33-V59 HydrophobicContact CG-CG1 3.9Å |
| 34 | P | 98.6 | Very high | 97.9 | Very high | 27 Ų | 27 | 37.5 Ų | 37.5 | 18% | 0.175 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.9 | -42.4 | 170.3 | -26.9 | 37.4 | 0 | 0 | 0 | 112.9 | R30 A36 F37 E38 V59 W63 | R30-P34 VanDerWaalsContact O-CD 3.29Å; R30-P34 WeakPolarHBondContact O-CD 3.4Å; R30-P34 VanDerWaalsContact O-CG 3.26Å; R30-P34 WeakPolarHBondContact O-CG 3.29Å; P34-A36 VanDerWaalsContact C-N 3.28Å; P34-A36 PolarHBondContact O-N 3.45Å; P34-F37 PolarHBondContact O-N 3.18Å; P34-F37 VanDerWaalsContact O-N 3.14Å; P34-E38 WeakPolarHBondContact O-CG 3.44Å; P34-E38 PolarHBondContact O-N 2.75Å; P34-V59 HydrophobicContact CG-CG1 3.98Å; P34-W63 HydrophobicContact CB-CZ2 3.89Å; P34-W63 WeakPolarHBondContact O-CZ2 3.35Å |
| 35 | V | 98.6 | Very high | 98.1 | Very high | 10 Ų | 10 | 37.4 Ų | 37.4 | 6% | 0.061 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.3 | -37.6 | 176.6 | 176.4 | 0 | 0 | 0 | 0 | 111.1 | D31 C32 L33 A39 K278 I281 R282 | D31-V35 WeakPolarHBondContact O-CG2 3.15Å; C32-V35 WeakPolarHBondContact O-CB 3.45Å; C32-V35 PolarHBondContact O-N 3.43Å; L33-V35 VanDerWaalsContact C-N 3.31Å; L33-V35 PolarHBondContact O-N 3.24Å; V35-A39 WeakPolarHBondContact O-CB 3.37Å; V35-A39 PolarHBondContact O-N 3.5Å; V35-K278 HydrophobicContact CG1-CB 4.12Å; V35-K278 HydrophobicContact CG1-CG 4.37Å; V35-K278 HydrophobicContact CG2-CD 3.92Å; V35-K278 HydrophobicContact CG2-CG 4.04Å; V35-I281 HydrophobicContact CG1-CB 4.33Å; V35-I281 HydrophobicContact CG1-CG2 4.1Å; V35-R282 HydrophobicContact CG1-CG 4.37Å |
| 36 | A | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.5 | -43.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | F19 C32 L33 P34 E38 A39 G40 Y41 I281 | F19-A36 HydrophobicContact CB-CB 4.37Å; F19-A36 HydrophobicContact CD2-CB 3.8Å; F19-A36 HydrophobicContact CE2-CB 4.3Å; F19-A36 HydrophobicContact CG-CB 4.08Å; C32-A36 PolarHBondContact O-N 3.12Å; L33-A36 HydrophobicContact CD1-CB 4.44Å; L33-A36 WeakPolarHBondContact O-CB 3.5Å; L33-A36 PolarHBondContact O-N 3.02Å; L33-A36 VanDerWaalsContact O-N 3.13Å; P34-A36 VanDerWaalsContact C-N 3.28Å; P34-A36 PolarHBondContact O-N 3.45Å; A36-E38 PolarHBondContact O-N 3.05Å; A36-A39 PolarHBondContact O-N 3.45Å; A36-G40 PolarHBondContact O-N 3.4Å; A36-G40 VanDerWaalsContact O-N 3.1Å; A36-Y41 HydrophobicContact CB-CD2 3.74Å; A36-Y41 HydrophobicContact CB-CE2 4.34Å; A36-Y41 HydrophobicContact CB-CG 3.97Å; A36-Y41 WeakPolarHBondContact O-CB 3.4Å; A36-Y41 VanDerWaalsContact O-CD2 3.24Å; A36-Y41 WeakPolarHBondContact O-CD2 3.35Å; A36-Y41 PolarHBondContact O-N 3.08Å; A36-I281 HydrophobicContact CB-CG2 3.86Å |
| 37 | F | 98.6 | Very high | 98.3 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.009 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.1 | -42.3 | 176.8 | -66.7 | -24 | 0 | 0 | 0 | 113 | L33 P34 A39 G40 R42 I44 V59 I60 W63 L69 L74 | L33-F37 HydrophobicContact CD1-CD1 4.19Å; L33-F37 HydrophobicContact CD1-CE1 3.61Å; L33-F37 HydrophobicContact CD1-CE2 4.29Å; L33-F37 HydrophobicContact CD1-CZ 3.68Å; L33-F37 HydrophobicContact CD2-CE2 4.27Å; L33-F37 HydrophobicContact CD2-CZ 3.95Å; L33-F37 HydrophobicContact CG-CD2 4.41Å; L33-F37 HydrophobicContact CG-CE1 4.09Å; L33-F37 HydrophobicContact CG-CE2 3.85Å; L33-F37 HydrophobicContact CG-CZ 3.66Å; L33-F37 WeakPolarHBondContact O-CG 3.42Å; L33-F37 PolarHBondContact O-N 3.17Å; P34-F37 PolarHBondContact O-N 3.18Å; P34-F37 VanDerWaalsContact O-N 3.14Å; F37-A39 VanDerWaalsContact C-N 3.34Å; F37-G40 PolarHBondContact O-N 3.35Å; F37-G40 VanDerWaalsContact O-N 3.16Å; F37-R42 PolarHBondContact O-NH1 3.49Å; F37-I44 HydrophobicContact CE1-CD1 3.7Å; F37-I44 HydrophobicContact CE1-CG1 4.06Å; F37-I44 HydrophobicContact CZ-CD1 3.69Å; F37-I44 HydrophobicContact CZ-CG1 4.47Å; F37-V59 HydrophobicContact CE2-CG1 4Å; F37-I60 HydrophobicContact CZ-CG1 4.23Å; F37-W63 HydrophobicContact CB-CD2 4.17Å; F37-W63 HydrophobicContact CB-CE3 3.91Å; F37-W63 HydrophobicContact CB-CH2 3.47Å; F37-W63 VanDerWaalsContact CB-CH2 3.47Å; F37-W63 HydrophobicContact CB-CZ2 3.76Å; F37-W63 HydrophobicContact CB-CZ3 3.56Å; F37-W63 HydrophobicContact CD2-CB 4.38Å; F37-W63 AromaticContact CD2-CD1 3.94Å; F37-W63 AromaticContact CD2-CD2 3.5Å; F37-W63 HydrophobicContact CD2-CD2 3.5Å; F37-W63 AromaticContact CD2-CE2 3.65Å; F37-W63 AromaticContact CD2-CE3 3.94Å; F37-W63 HydrophobicContact CD2-CE3 3.94Å; F37-W63 AromaticContact CD2-CG 3.7Å; F37-W63 HydrophobicContact CD2-CG 3.7Å; F37-W63 HydrophobicContact CD2-CZ2 4.19Å; F37-W63 HydrophobicContact CD2-CZ3 4.43Å; F37-W63 AromaticContact CD2-NE1 3.9Å; F37-W63 HydrophobicContact CE2-CB 4.37Å; F37-W63 HydrophobicContact CE2-CD2 4.31Å; F37-W63 HydrophobicContact CE2-CG 4.05Å; F37-W63 HydrophobicContact CG-CD2 4.29Å; F37-W63 HydrophobicContact CG-CE3 4.32Å; F37-W63 HydrophobicContact CG-CZ3 4.44Å; F37-L69 HydrophobicContact CB-CD1 4.21Å; F37-L69 HydrophobicContact CD1-CD1 4.16Å; F37-L69 HydrophobicContact CD2-CD1 3.9Å; F37-L69 HydrophobicContact CE1-CD1 4.48Å; F37-L69 HydrophobicContact CE2-CD1 4.21Å; F37-L69 HydrophobicContact CG-CD1 3.85Å; F37-L74 HydrophobicContact CD1-CD2 4.49Å; F37-L74 HydrophobicContact CE1-CD2 3.87Å; F37-L74 HydrophobicContact CZ-CD2 4.26Å |
| 38 | E | 98.2 | Very high | 98.2 | Very high | 122 Ų | 122 | 26.3 Ų | 26.3 | 57% | 0.57 | 14% | 0.135 | S | C | * | . | H | α-helix | trans | -61 | -40.4 | 172.9 | -69.3 | 172.9 | 176.6 | 0 | 0 | 112.2 | P34 A36 G40 W63 R282 | P34-E38 WeakPolarHBondContact O-CG 3.44Å; P34-E38 PolarHBondContact O-N 2.75Å; A36-E38 PolarHBondContact O-N 3.05Å; E38-G40 PolarHBondContact O-N 3.31Å; E38-W63 HydrophobicContact CG-CH2 3.77Å; E38-W63 HydrophobicContact CG-CZ2 4.17Å; E38-R282 IonicContact OE2-NH2 2.7Å |
| 39 | A | 97.3 | Very high | 98 | Very high | 26 Ų | 26 | 25.4 Ų | 25.4 | 22% | 0.215 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.2 | -19.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | V35 A36 F37 Y41 R282 F285 | V35-A39 WeakPolarHBondContact O-CB 3.37Å; V35-A39 PolarHBondContact O-N 3.5Å; A36-A39 PolarHBondContact O-N 3.45Å; F37-A39 VanDerWaalsContact C-N 3.34Å; A39-Y41 HydrophobicContact CB-CD2 4.12Å; A39-Y41 HydrophobicContact CB-CE2 4.22Å; A39-R282 HydrophobicContact CB-CG 4.14Å; A39-F285 WeakPolarHBondContact O-CD1 3.5Å; A39-F285 WeakPolarHBondContact O-CE1 3.48Å |
| 40 | G | 97.2 | Very high | 97.8 | Very high | 23 Ų | 23 | 27 Ų | 27 | 24% | 0.237 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 114.2 | 4.7 | 177 | 0 | 0 | 0 | 0 | 0 | 115.1 | A36 F37 E38 R42 F285 | A36-G40 PolarHBondContact O-N 3.4Å; A36-G40 VanDerWaalsContact O-N 3.1Å; F37-G40 PolarHBondContact O-N 3.35Å; F37-G40 VanDerWaalsContact O-N 3.16Å; E38-G40 PolarHBondContact O-N 3.31Å; G40-R42 PolarHBondContact O-N 3.11Å; G40-F285 VanDerWaalsContact C-CE2 3.49Å; G40-F285 WeakPolarHBondContact O-CE2 3.48Å; G40-F285 WeakPolarHBondContact O-CZ 3.23Å |
| 41 | Y | 98.3 | Very high | 97.7 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.008 | 14% | 0.14 | C | C | . | . | trans | -61.3 | 135.7 | 175.7 | -72.8 | -101.8 | 0 | 0 | 0 | 110.5 | V17 G18 F19 A36 A39 I281 N284 F285 | V17-Y41 HydrophobicContact CG1-CD1 4.24Å; V17-Y41 HydrophobicContact CG1-CE1 3.64Å; G18-Y41 VanDerWaalsContact C-CD1 3.44Å; G18-Y41 WeakPolarHBondContact O-CE1 3.32Å; F19-Y41 HydrophobicContact CB-CD1 3.96Å; F19-Y41 HydrophobicContact CB-CE1 4.39Å; F19-Y41 HydrophobicContact CB-CG 4.45Å; A36-Y41 HydrophobicContact CB-CD2 3.74Å; A36-Y41 HydrophobicContact CB-CE2 4.34Å; A36-Y41 HydrophobicContact CB-CG 3.97Å; A36-Y41 WeakPolarHBondContact O-CB 3.4Å; A36-Y41 VanDerWaalsContact O-CD2 3.24Å; A36-Y41 WeakPolarHBondContact O-CD2 3.35Å; A36-Y41 PolarHBondContact O-N 3.08Å; A39-Y41 HydrophobicContact CB-CD2 4.12Å; A39-Y41 HydrophobicContact CB-CE2 4.22Å; Y41-I281 HydrophobicContact CE2-CG2 4Å; Y41-I281 VanDerWaalsContact CE2-O 3.3Å; Y41-I281 WeakPolarHBondContact CE2-O 3.32Å; Y41-I281 PolarHBondContact OH-O 3.39Å; Y41-N284 WeakPolarHBondContact OH-CB 3.3Å; Y41-F285 HydrophobicContact CD1-CD2 4.1Å; Y41-F285 HydrophobicContact CD2-CB 4.23Å; Y41-F285 AromaticContact CD2-CD2 3.64Å; Y41-F285 HydrophobicContact CD2-CD2 3.64Å; Y41-F285 HydrophobicContact CD2-CE2 4.34Å; Y41-F285 HydrophobicContact CD2-CG 4.12Å; Y41-F285 HydrophobicContact CE1-CD2 4.12Å; Y41-F285 HydrophobicContact CE2-CB 3.56Å; Y41-F285 AromaticContact CE2-CD2 3.7Å; Y41-F285 HydrophobicContact CE2-CD2 3.7Å; Y41-F285 AromaticContact CE2-CG 3.94Å; Y41-F285 HydrophobicContact CE2-CG 3.94Å; Y41-F285 AromaticContact CG-CD2 3.88Å; Y41-F285 HydrophobicContact CG-CD2 3.88Å; Y41-F285 HydrophobicContact CG-CE2 4.27Å; Y41-F285 AromaticContact CZ-CD2 3.92Å; Y41-F285 PolarHBondContact OH-N 2.97Å | ||
| 42 | R | 98.2 | Very high | 97.6 | Very high | 80 Ų | 80 | 24.4 Ų | 24.4 | 30% | 0.302 | 12% | 0.118 | S | C | . | . | trans | -129.2 | -7.1 | 175.9 | -67.7 | -56.2 | 176.9 | -92.8 | 1.7 | 113.1 | P15 F37 G40 L69 D73 L74 F75 | P15-R42 HydrophobicContact CG-CB 4.29Å; F37-R42 PolarHBondContact O-NH1 3.49Å; G40-R42 PolarHBondContact O-N 3.11Å; R42-L69 VanDerWaalsContact CZ-CD2 3.49Å; R42-D73 VanDerWaalsContact CB-O 3.27Å; R42-D73 WeakPolarHBondContact CB-O 3.21Å; R42-D73 VanDerWaalsContact CD-O 3.27Å; R42-D73 WeakPolarHBondContact CD-O 3.33Å; R42-D73 WeakPolarHBondContact CG-O 3.48Å; R42-L74 CarbonylContact O-C 3.49Å; R42-L74 WeakPolarHBondContact O-CA 3.48Å; R42-F75 PolarHBondContact O-N 3.47Å | ||
| 43 | M | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 133.7 | 170.7 | 177.5 | 169.1 | 69.7 | 0 | 0 | 110.3 | M14 P15 G18 F19 F75 I77 A270 I272 | M14-M43 HydrophobicContact CG-SD 3.8Å; M14-M43 HydrophobicContact SD-SD 4.28Å; P15-M43 HydrophobicContact CB-CB 3.84Å; P15-M43 HydrophobicContact CG-CB 3.85Å; P15-M43 WeakPolarHBondContact O-CE 3.34Å; G18-M43 CarbonylContact C-O 3.55Å; G18-M43 WeakPolarHBondContact CA-O 3.33Å; F19-M43 PolarHBondContact N-O 3.22Å; M43-F75 CarbonylContact C-O 3.53Å; M43-F75 VanDerWaalsContact CA-O 3.25Å; M43-F75 WeakPolarHBondContact CA-O 3.38Å; M43-F75 HydrophobicContact CB-CB 4.24Å; M43-F75 HydrophobicContact CG-CB 4.47Å; M43-F75 HydrophobicContact CG-CD1 4.01Å; M43-F75 HydrophobicContact SD-CD1 4.13Å; M43-I77 HydrophobicContact CG-CD1 4.04Å; M43-I77 HydrophobicContact CG-CG1 4.39Å; M43-I77 HydrophobicContact SD-CD1 3.71Å; M43-A270 HydrophobicContact CE-CB 4.32Å; M43-I272 HydrophobicContact CE-CG2 3.73Å |
| 44 | I | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 120.1 | 178.1 | -54 | 155.1 | 0 | 0 | 0 | 107 | T21 L33 F37 I56 I60 L74 F75 V76 I77 | T21-I44 HydrophobicContact CG2-CG2 4.04Å; L33-I44 HydrophobicContact CD1-CD1 4.4Å; L33-I44 HydrophobicContact CD1-CG1 4.15Å; F37-I44 HydrophobicContact CE1-CD1 3.7Å; F37-I44 HydrophobicContact CE1-CG1 4.06Å; F37-I44 HydrophobicContact CZ-CD1 3.69Å; F37-I44 HydrophobicContact CZ-CG1 4.47Å; I44-I56 HydrophobicContact CG2-CG2 4.21Å; I44-I60 HydrophobicContact CD1-CD1 3.78Å; I44-I60 HydrophobicContact CD1-CG1 4.01Å; I44-L74 HydrophobicContact CD1-CD2 4.36Å; I44-F75 PolarHBondContact N-O 2.82Å; I44-V76 HydrophobicContact CD1-CG2 4.38Å; I44-I77 PolarHBondContact O-N 3.18Å |
| 45 | D | 98.9 | Very high | 97.6 | Very high | 4 Ų | 4 | 26.1 Ų | 26.1 | 2% | 0.021 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 114.2 | 175.7 | 179.3 | -89.4 | 0 | 0 | 0 | 110.2 | F19 T21 I77 K79 Q187 I272 | F19-D45 PolarHBondContact O-N 3.19Å; T21-D45 WeakPolarHBondContact CB-O 3.09Å; T21-D45 WeakPolarHBondContact CG2-O 3.44Å; T21-D45 PolarHBondContact N-O 3.18Å; T21-D45 VanDerWaalsContact N-O 3.12Å; T21-D45 PolarHBondContact OG1-O 3.17Å; D45-I77 HydrophobicContact CB-CD1 4.47Å; D45-K79 IonicContact OD1-NZ 2.7Å; D45-K79 PolarHBondContact OD1-NZ 3.08Å; D45-K79 IonicContact OD2-NZ 3.23Å; D45-K79 PolarHBondContact OD2-NZ 3.44Å; D45-Q187 PolarHBondContact OD2-NE2 2.81Å; D45-I272 HydrophobicContact CB-CB 4.1Å; D45-I272 HydrophobicContact CB-CD1 3.8Å; D45-I272 HydrophobicContact CB-CG2 3.79Å |
| 46 | T | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -126.3 | 176.1 | 176.9 | -169.9 | 0 | 0 | 0 | 0 | 111.5 | T21 I56 I77 K79 L101 | T21-T46 WeakPolarHBondContact OG1-CA 3.44Å; T46-I56 WeakPolarHBondContact OG1-CD1 3.45Å; T46-I77 WeakPolarHBondContact CG2-O 3.39Å; T46-I77 PolarHBondContact N-O 3.03Å; T46-K79 PolarHBondContact O-NZ 2.86Å; T46-L101 HydrophobicContact CG2-CD1 4.2Å; T46-L101 HydrophobicContact CG2-CD2 4.07Å | ||
| 47 | A | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -161.2 | 149.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | Y49 Y50 K79 | A47-Y49 PolarHBondContact O-N 3.1Å; A47-Y50 HydrophobicContact CB-CD1 3.94Å; A47-Y50 HydrophobicContact CB-CD2 3.88Å; A47-Y50 HydrophobicContact CB-CE1 3.69Å; A47-Y50 HydrophobicContact CB-CE2 3.63Å; A47-Y50 HydrophobicContact CB-CG 4.02Å; A47-Y50 VanDerWaalsContact CB-CZ 3.5Å; A47-Y50 VanDerWaalsContact N-CD2 3.28Å; A47-Y50 WeakPolarHBondContact O-CB 3.41Å; A47-Y50 PolarHBondContact O-N 3.36Å; A47-K79 HydrophobicContact CB-CB 3.89Å; A47-K79 HydrophobicContact CB-CD 4.03Å; A47-K79 HydrophobicContact CB-CG 3.91Å | ||
| 48 | P | 96.3 | Very high | 97.7 | Very high | 14 Ų | 14 | 29.2 Ų | 29.2 | 9% | 0.091 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -60.6 | -22.9 | 175.7 | -21.1 | 34.5 | 0 | 0 | 0 | 112.4 | Y50 R51 K79 Q81 S97 | P48-Y50 PolarHBondContact O-N 3.25Å; P48-R51 PolarHBondContact O-N 2.89Å; P48-R51 VanDerWaalsContact O-N 3.14Å; P48-K79 WeakPolarHBondContact CD-O 3.39Å; P48-Q81 HydrophobicContact CB-CG 4.25Å; P48-S97 WeakPolarHBondContact CG-OG 3.02Å |
| 49 | Y | 93.5 | Very high | 97.7 | Very high | 43 Ų | 43 | 24 Ų | 24 | 17% | 0.169 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -64.2 | -26.3 | 177.3 | -174.5 | -101.5 | 0 | 0 | 0 | 111.3 | A47 R51 H224 L226 | A47-Y49 PolarHBondContact O-N 3.1Å; Y49-R51 PolarHBondContact O-N 2.9Å; Y49-H224 AromaticContact CE1-CE1 3.75Å; Y49-H224 AromaticContact CE1-NE2 3.81Å; Y49-H224 PolarHBondContact OH-CE1 3.3Å; Y49-L226 HydrophobicContact CE1-CD1 3.51Å; Y49-L226 HydrophobicContact CE2-CD1 4.25Å; Y49-L226 WeakPolarHBondContact OH-CD1 3.28Å |
| 50 | Y | 94.8 | Very high | 97.8 | Very high | 32 Ų | 32 | 22.7 Ų | 22.7 | 13% | 0.125 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | -79.7 | -12.8 | -178.1 | -50.9 | -15.6 | 0 | 0 | 0 | 111.9 | W22 A47 P48 N52 K79 H112 | W22-Y50 HydrophobicContact CB-CD1 4.07Å; W22-Y50 HydrophobicContact CB-CD2 4.05Å; W22-Y50 HydrophobicContact CB-CE1 3.96Å; W22-Y50 HydrophobicContact CB-CE2 3.93Å; W22-Y50 HydrophobicContact CB-CG 4.15Å; W22-Y50 AromaticContact CD1-CD1 3.31Å; W22-Y50 AromaticContact CD1-CE1 3.57Å; W22-Y50 AromaticContact CD1-CG 3.97Å; W22-Y50 AromaticContact CG-CD1 3.95Å; W22-Y50 HydrophobicContact CG-CD1 3.95Å; W22-Y50 AromaticContact CG-CE1 3.87Å; W22-Y50 HydrophobicContact CG-CE1 3.87Å; W22-Y50 HydrophobicContact CG-CG 4.44Å; A47-Y50 HydrophobicContact CB-CD1 3.94Å; A47-Y50 HydrophobicContact CB-CD2 3.88Å; A47-Y50 HydrophobicContact CB-CE1 3.69Å; A47-Y50 HydrophobicContact CB-CE2 3.63Å; A47-Y50 HydrophobicContact CB-CG 4.02Å; A47-Y50 VanDerWaalsContact CB-CZ 3.5Å; A47-Y50 VanDerWaalsContact N-CD2 3.28Å; A47-Y50 WeakPolarHBondContact O-CB 3.41Å; A47-Y50 PolarHBondContact O-N 3.36Å; P48-Y50 PolarHBondContact O-N 3.25Å; Y50-N52 WeakPolarHBondContact CB-OD1 3.42Å; Y50-N52 PolarHBondContact O-N 2.83Å; Y50-K79 PolarHBondContact OH-NZ 3.44Å; Y50-H112 AromaticContact CE1-CE1 3.83Å |
| 51 | R | 94.5 | Very high | 97.8 | Very high | 125 Ų | 125 | 24.4 Ų | 24.4 | 47% | 0.472 | 11% | 0.109 | S | C | . | . | S | Bend | trans | 53.5 | 37.3 | 174.2 | -58.8 | -179.5 | 178.5 | -166.4 | -2.9 | 113.9 | P48 Y49 D124 T126 P127 | P48-R51 PolarHBondContact O-N 2.89Å; P48-R51 VanDerWaalsContact O-N 3.14Å; Y49-R51 PolarHBondContact O-N 2.9Å; R51-D124 IonicContact NH1-OD2 2.68Å; R51-T126 VanDerWaalsContact CZ-OG1 3.3Å; R51-T126 PolarHBondContact NH1-OG1 2.48Å; R51-T126 PolarHBondContact NH2-OG1 3.17Å; R51-P127 PolarHBondContact NH2-O 2.91Å |
| 52 | N | 97.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | trans | -135.7 | 13.4 | 179.1 | 60.4 | 7.4 | 0 | 0 | 0 | 113 | T21 V24 D26 I29 Y50 V54 A55 I56 | T21-N52 PolarHBondContact O-ND2 3.47Å; V24-N52 PolarHBondContact O-ND2 3.23Å; D26-N52 VanDerWaalsContact OD1-CA 3.24Å; D26-N52 WeakPolarHBondContact OD1-CA 3.46Å; D26-N52 WeakPolarHBondContact OD1-CB 3.43Å; I29-N52 HydrophobicContact CG1-CB 4.13Å; Y50-N52 WeakPolarHBondContact CB-OD1 3.42Å; Y50-N52 PolarHBondContact O-N 2.83Å; N52-V54 VanDerWaalsContact C-N 3.31Å; N52-V54 PolarHBondContact O-N 3.35Å; N52-A55 PolarHBondContact O-N 2.91Å; N52-I56 WeakPolarHBondContact O-CD1 3.23Å; N52-I56 VanDerWaalsContact O-CG1 3.25Å; N52-I56 WeakPolarHBondContact O-CG1 3.49Å; N52-I56 PolarHBondContact O-N 2.64Å; N52-I56 WeakPolarHBondContact OD1-CD1 3.28Å | ||
| 53 | D | 98.1 | Very high | 97.9 | Very high | 6 Ų | 6 | 25.2 Ų | 25.2 | 3% | 0.032 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -68 | -28 | -178.3 | 49.1 | 0.3 | 0 | 0 | 0 | 113.1 | G57 R100 L101 | D53-G57 PolarHBondContact O-N 2.95Å; D53-R100 HydrophobicContact CB-CB 4.2Å; D53-R100 CarbonylContact O-C 2.94Å; D53-R100 WeakPolarHBondContact OD1-CD 3.22Å; D53-R100 IonicContact OD1-NE 3.01Å; D53-R100 PolarHBondContact OD1-NE 3.01Å; D53-R100 VanDerWaalsContact OD1-NE 3.11Å; D53-R100 IonicContact OD2-CZ 3.29Å; D53-R100 VanDerWaalsContact OD2-CZ 3.25Å; D53-R100 IonicContact OD2-NE 3.59Å; D53-R100 PolarHBondContact OD2-NE 2.92Å; D53-R100 IonicContact OD2-NH2 3.04Å; D53-R100 PolarHBondContact OD2-NH2 2.94Å; D53-L101 HydrophobicContact CB-CD2 3.89Å; D53-L101 HydrophobicContact CB-CG 4.1Å |
| 54 | V | 98.7 | Very high | 97.8 | Very high | 58 Ų | 58 | 27.3 Ų | 27.3 | 35% | 0.352 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -62.4 | -53.7 | 170.8 | 178 | 0 | 0 | 0 | 0 | 111.2 | N52 I56 G57 E58 R100 | N52-V54 VanDerWaalsContact C-N 3.31Å; N52-V54 PolarHBondContact O-N 3.35Å; V54-I56 VanDerWaalsContact C-N 3.28Å; V54-I56 PolarHBondContact O-N 3.12Å; V54-G57 PolarHBondContact O-N 3.2Å; V54-G57 VanDerWaalsContact O-N 3.11Å; V54-E58 WeakPolarHBondContact O-CG 3.39Å; V54-E58 PolarHBondContact O-N 2.76Å; V54-R100 WeakPolarHBondContact CA-O 3.09Å; V54-R100 HydrophobicContact CG2-CB 3.85Å; V54-R100 HydrophobicContact CG2-CG 3.78Å |
| 55 | A | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.2 | -37 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | D26 I29 R30 N52 E58 V59 | D26-A55 HydrophobicContact CB-CB 3.75Å; I29-A55 HydrophobicContact CB-CB 4.08Å; I29-A55 HydrophobicContact CG2-CB 3.91Å; R30-A55 HydrophobicContact CG-CB 4.49Å; N52-A55 PolarHBondContact O-N 2.91Å; A55-E58 PolarHBondContact O-N 3.46Å; A55-V59 WeakPolarHBondContact O-CG2 3.44Å; A55-V59 PolarHBondContact O-N 3.44Å; A55-V59 VanDerWaalsContact O-N 3.13Å |
| 56 | I | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.9 | -46.8 | 174 | -68.3 | 164.2 | 0 | 0 | 0 | 110.2 | T21 I29 L33 I44 T46 N52 V54 E58 V59 I60 L101 | T21-I56 HydrophobicContact CG2-CD1 3.78Å; T21-I56 HydrophobicContact CG2-CG1 4.44Å; I29-I56 HydrophobicContact CD1-CD1 4.29Å; I29-I56 HydrophobicContact CD1-CG1 3.94Å; I29-I56 HydrophobicContact CG1-CG1 4.17Å; I29-I56 HydrophobicContact CG2-CB 4.44Å; I29-I56 HydrophobicContact CG2-CG1 3.74Å; L33-I56 HydrophobicContact CD2-CG2 4.22Å; I44-I56 HydrophobicContact CG2-CG2 4.21Å; T46-I56 WeakPolarHBondContact OG1-CD1 3.45Å; N52-I56 WeakPolarHBondContact O-CD1 3.23Å; N52-I56 VanDerWaalsContact O-CG1 3.25Å; N52-I56 WeakPolarHBondContact O-CG1 3.49Å; N52-I56 PolarHBondContact O-N 2.64Å; N52-I56 WeakPolarHBondContact OD1-CD1 3.28Å; V54-I56 VanDerWaalsContact C-N 3.28Å; V54-I56 PolarHBondContact O-N 3.12Å; I56-E58 PolarHBondContact O-N 3.02Å; I56-V59 PolarHBondContact O-N 3.42Å; I56-I60 HydrophobicContact CG2-CD1 3.73Å; I56-I60 HydrophobicContact CG2-CG1 4.37Å; I56-I60 WeakPolarHBondContact O-CG1 3.3Å; I56-I60 PolarHBondContact O-N 3.15Å; I56-L101 HydrophobicContact CB-CD2 4.11Å; I56-L101 HydrophobicContact CG2-CD2 3.75Å |
| 57 | G | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.1 | -44.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D53 V54 V59 I60 Q61 L101 | D53-G57 PolarHBondContact O-N 2.95Å; V54-G57 PolarHBondContact O-N 3.2Å; V54-G57 VanDerWaalsContact O-N 3.11Å; G57-V59 PolarHBondContact O-N 3.1Å; G57-I60 PolarHBondContact O-N 2.89Å; G57-Q61 WeakPolarHBondContact O-CB 3.24Å; G57-Q61 WeakPolarHBondContact O-CG 3.18Å; G57-Q61 PolarHBondContact O-N 2.96Å; G57-L101 WeakPolarHBondContact CA-O 3.23Å |
| 58 | E | 98.8 | Very high | 97.7 | Very high | 77 Ų | 77 | 44.6 Ų | 44.6 | 36% | 0.36 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.2 | -46.2 | 176.3 | -70.9 | 169.7 | 176.6 | 0 | 0 | 112.2 | R30 V54 A55 I56 Q61 S62 | R30-E58 IonicContact CZ-OE2 3.42Å; R30-E58 VanDerWaalsContact CZ-OE2 3.26Å; R30-E58 IonicContact NE-OE2 3.17Å; R30-E58 PolarHBondContact NE-OE2 3.35Å; R30-E58 IonicContact NH2-OE1 2.75Å; R30-E58 IonicContact NH2-OE2 2.9Å; R30-E58 PolarHBondContact NH2-OE2 3.06Å; V54-E58 WeakPolarHBondContact O-CG 3.39Å; V54-E58 PolarHBondContact O-N 2.76Å; A55-E58 PolarHBondContact O-N 3.46Å; I56-E58 PolarHBondContact O-N 3.02Å; E58-Q61 PolarHBondContact O-N 3.11Å; E58-S62 WeakPolarHBondContact O-CB 3.13Å; E58-S62 PolarHBondContact O-N 3.39Å |
| 59 | V | 98.8 | Very high | 97.8 | Very high | 12 Ų | 12 | 44.2 Ų | 44.2 | 7% | 0.073 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.7 | -43.5 | 179 | 175 | 0 | 0 | 0 | 0 | 111.2 | I29 R30 L33 P34 F37 A55 I56 G57 Q61 S62 W63 | I29-V59 HydrophobicContact CG2-CG2 4.32Å; R30-V59 HydrophobicContact CB-CG2 4.44Å; R30-V59 HydrophobicContact CG-CG2 4.14Å; L33-V59 HydrophobicContact CB-CG1 4.06Å; L33-V59 HydrophobicContact CD2-CB 4.02Å; L33-V59 HydrophobicContact CD2-CG1 3.84Å; L33-V59 HydrophobicContact CG-CG1 3.9Å; P34-V59 HydrophobicContact CG-CG1 3.98Å; F37-V59 HydrophobicContact CE2-CG1 4Å; A55-V59 WeakPolarHBondContact O-CG2 3.44Å; A55-V59 PolarHBondContact O-N 3.44Å; A55-V59 VanDerWaalsContact O-N 3.13Å; I56-V59 PolarHBondContact O-N 3.42Å; G57-V59 PolarHBondContact O-N 3.1Å; V59-Q61 PolarHBondContact O-N 3.43Å; V59-S62 PolarHBondContact O-N 3.25Å; V59-W63 VanDerWaalsContact O-CD1 3.3Å; V59-W63 PolarHBondContact O-N 3.01Å; V59-W63 VanDerWaalsContact O-N 3.08Å |
| 60 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.9 | -50.1 | 176.3 | -72.2 | 171.1 | 0 | 0 | 0 | 110.1 | F37 I44 I56 G57 S62 W63 I64 L74 V76 L103 | F37-I60 HydrophobicContact CZ-CG1 4.23Å; I44-I60 HydrophobicContact CD1-CD1 3.78Å; I44-I60 HydrophobicContact CD1-CG1 4.01Å; I56-I60 HydrophobicContact CG2-CD1 3.73Å; I56-I60 HydrophobicContact CG2-CG1 4.37Å; I56-I60 WeakPolarHBondContact O-CG1 3.3Å; I56-I60 PolarHBondContact O-N 3.15Å; G57-I60 PolarHBondContact O-N 2.89Å; I60-S62 PolarHBondContact O-N 3.47Å; I60-W63 PolarHBondContact O-N 3.42Å; I60-I64 HydrophobicContact CG2-CD1 3.66Å; I60-I64 HydrophobicContact CG2-CG1 4.45Å; I60-I64 WeakPolarHBondContact O-CG1 3.09Å; I60-I64 PolarHBondContact O-N 3.26Å; I60-L74 HydrophobicContact CG1-CD1 4.23Å; I60-L74 HydrophobicContact CG2-CD1 3.84Å; I60-V76 HydrophobicContact CD1-CG2 4.21Å; I60-L103 HydrophobicContact CG2-CD2 4.23Å |
| 61 | Q | 98.6 | Very high | 98.2 | Very high | 58 Ų | 58 | 49.5 Ų | 49.5 | 27% | 0.271 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.9 | -44.6 | -178.8 | -75 | -60.6 | -27.5 | 0 | 0 | 111.8 | G57 E58 V59 W63 I64 S65 Q102 | G57-Q61 WeakPolarHBondContact O-CB 3.24Å; G57-Q61 WeakPolarHBondContact O-CG 3.18Å; G57-Q61 PolarHBondContact O-N 2.96Å; E58-Q61 PolarHBondContact O-N 3.11Å; V59-Q61 PolarHBondContact O-N 3.43Å; Q61-W63 VanDerWaalsContact C-N 3.29Å; Q61-W63 PolarHBondContact O-N 3.35Å; Q61-I64 PolarHBondContact O-N 3.36Å; Q61-I64 VanDerWaalsContact O-N 3.15Å; Q61-S65 WeakPolarHBondContact O-CB 3.49Å; Q61-S65 PolarHBondContact O-N 3.01Å; Q61-S65 PolarHBondContact O-OG 3.28Å; Q61-S65 VanDerWaalsContact O-OG 3.05Å; Q61-Q102 HydrophobicContact CG-CB 3.67Å; Q61-Q102 HydrophobicContact CG-CG 4.45Å; Q61-Q102 PolarHBondContact NE2-O 3.41Å |
| 62 | S | 98.6 | Very high | 98.3 | Very high | 75 Ų | 75 | 48.2 Ų | 48.2 | 52% | 0.524 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -57.1 | -40.8 | 175.7 | 179 | 0 | 0 | 0 | 0 | 112.9 | E58 V59 I60 S66 | E58-S62 WeakPolarHBondContact O-CB 3.13Å; E58-S62 PolarHBondContact O-N 3.39Å; V59-S62 PolarHBondContact O-N 3.25Å; I60-S62 PolarHBondContact O-N 3.47Å; S62-S66 VanDerWaalsContact O-CB 3.31Å; S62-S66 WeakPolarHBondContact O-CB 3.38Å; S62-S66 PolarHBondContact O-N 2.82Å; S62-S66 PolarHBondContact O-OG 3.29Å |
| 63 | W | 98.4 | Very high | 98.3 | Very high | 25 Ų | 25 | 51.4 Ų | 51.4 | 10% | 0.095 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -71.3 | -34.9 | 177.3 | -86.9 | 70.5 | 0 | 0 | 0 | 113.5 | P34 F37 E38 V59 I60 Q61 S66 K68 L69 | P34-W63 HydrophobicContact CB-CZ2 3.89Å; P34-W63 WeakPolarHBondContact O-CZ2 3.35Å; F37-W63 HydrophobicContact CB-CD2 4.17Å; F37-W63 HydrophobicContact CB-CE3 3.91Å; F37-W63 HydrophobicContact CB-CH2 3.47Å; F37-W63 VanDerWaalsContact CB-CH2 3.47Å; F37-W63 HydrophobicContact CB-CZ2 3.76Å; F37-W63 HydrophobicContact CB-CZ3 3.56Å; F37-W63 HydrophobicContact CD2-CB 4.38Å; F37-W63 AromaticContact CD2-CD1 3.94Å; F37-W63 AromaticContact CD2-CD2 3.5Å; F37-W63 HydrophobicContact CD2-CD2 3.5Å; F37-W63 AromaticContact CD2-CE2 3.65Å; F37-W63 AromaticContact CD2-CE3 3.94Å; F37-W63 HydrophobicContact CD2-CE3 3.94Å; F37-W63 AromaticContact CD2-CG 3.7Å; F37-W63 HydrophobicContact CD2-CG 3.7Å; F37-W63 HydrophobicContact CD2-CZ2 4.19Å; F37-W63 HydrophobicContact CD2-CZ3 4.43Å; F37-W63 AromaticContact CD2-NE1 3.9Å; F37-W63 HydrophobicContact CE2-CB 4.37Å; F37-W63 HydrophobicContact CE2-CD2 4.31Å; F37-W63 HydrophobicContact CE2-CG 4.05Å; F37-W63 HydrophobicContact CG-CD2 4.29Å; F37-W63 HydrophobicContact CG-CE3 4.32Å; F37-W63 HydrophobicContact CG-CZ3 4.44Å; E38-W63 HydrophobicContact CG-CH2 3.77Å; E38-W63 HydrophobicContact CG-CZ2 4.17Å; V59-W63 VanDerWaalsContact O-CD1 3.3Å; V59-W63 PolarHBondContact O-N 3.01Å; V59-W63 VanDerWaalsContact O-N 3.08Å; I60-W63 PolarHBondContact O-N 3.42Å; Q61-W63 VanDerWaalsContact C-N 3.29Å; Q61-W63 PolarHBondContact O-N 3.35Å; W63-S66 WeakPolarHBondContact CA-OG 3.08Å; W63-S66 PolarHBondContact O-OG 2.93Å; W63-S66 VanDerWaalsContact O-OG 3.12Å; W63-K68 HydrophobicContact CD2-CB 4.24Å; W63-K68 HydrophobicContact CD2-CD 4.2Å; W63-K68 HydrophobicContact CE3-CB 3.47Å; W63-K68 VanDerWaalsContact CE3-CB 3.47Å; W63-K68 HydrophobicContact CE3-CD 3.96Å; W63-K68 HydrophobicContact CE3-CG 4.38Å; W63-K68 HydrophobicContact CH2-CD 4.36Å; W63-K68 HydrophobicContact CZ3-CB 3.88Å; W63-K68 HydrophobicContact CZ3-CD 4.06Å; W63-K68 PolarHBondContact O-N 3.38Å; W63-K68 VanDerWaalsContact O-N 3.14Å; W63-L69 HydrophobicContact CB-CD1 4.28Å; W63-L69 HydrophobicContact CD2-CD1 4.28Å; W63-L69 HydrophobicContact CE3-CD1 3.6Å; W63-L69 HydrophobicContact CE3-CG 3.76Å; W63-L69 HydrophobicContact CZ3-CD1 4.26Å; W63-L69 HydrophobicContact CZ3-CG 4.33Å; W63-L69 PolarHBondContact O-N 2.89Å |
| 64 | I | 98.5 | Very high | 98.4 | Very high | 43 Ų | 43 | 51.4 Ų | 51.4 | 22% | 0.221 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.4 | -50.2 | 174.9 | -68.8 | 170 | 0 | 0 | 0 | 110.6 | I60 Q61 S66 G67 L69 R71 | I60-I64 HydrophobicContact CG2-CD1 3.66Å; I60-I64 HydrophobicContact CG2-CG1 4.45Å; I60-I64 WeakPolarHBondContact O-CG1 3.09Å; I60-I64 PolarHBondContact O-N 3.26Å; Q61-I64 PolarHBondContact O-N 3.36Å; Q61-I64 VanDerWaalsContact O-N 3.15Å; I64-S66 PolarHBondContact O-N 3.26Å; I64-G67 PolarHBondContact O-N 3.22Å; I64-L69 WeakPolarHBondContact CA-O 3.46Å; I64-R71 HydrophobicContact CD1-CB 4.1Å |
| 65 | S | 98 | Very high | 98.4 | Very high | 102 Ų | 102 | 48.8 Ų | 48.8 | 71% | 0.713 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -63.7 | -29.3 | -179.3 | -55.9 | 0 | 0 | 0 | 0 | 113 | Q61 G67 | Q61-S65 WeakPolarHBondContact O-CB 3.49Å; Q61-S65 PolarHBondContact O-N 3.01Å; Q61-S65 PolarHBondContact O-OG 3.28Å; Q61-S65 VanDerWaalsContact O-OG 3.05Å; S65-G67 VanDerWaalsContact C-N 3.25Å; S65-G67 PolarHBondContact O-N 3.26Å |
| 66 | S | 98.2 | Very high | 98.4 | Very high | 67 Ų | 67 | 48.8 Ų | 48.8 | 47% | 0.469 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -3.5 | 173.5 | 59.9 | 0 | 0 | 0 | 0 | 114.2 | S62 W63 I64 K68 | S62-S66 VanDerWaalsContact O-CB 3.31Å; S62-S66 WeakPolarHBondContact O-CB 3.38Å; S62-S66 PolarHBondContact O-N 2.82Å; S62-S66 PolarHBondContact O-OG 3.29Å; W63-S66 WeakPolarHBondContact CA-OG 3.08Å; W63-S66 PolarHBondContact O-OG 2.93Å; W63-S66 VanDerWaalsContact O-OG 3.12Å; I64-S66 PolarHBondContact O-N 3.26Å; S66-K68 PolarHBondContact O-N 3.2Å |
| 67 | G | 98 | Very high | 98.4 | Very high | 66 Ų | 66 | 48.8 Ų | 48.8 | 68% | 0.68 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | 6.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | I64 S65 L69 | I64-G67 PolarHBondContact O-N 3.22Å; S65-G67 VanDerWaalsContact C-N 3.25Å; S65-G67 PolarHBondContact O-N 3.26Å; G67-L69 VanDerWaalsContact C-N 3.32Å |
| 68 | K | 97.8 | Very high | 98.4 | Very high | 132 Ų | 132 | 48.8 Ų | 48.8 | 57% | 0.574 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -72.5 | -26.8 | 177.8 | -68.4 | -178.3 | 178.5 | -178.6 | 0 | 112.6 | W63 S66 | W63-K68 HydrophobicContact CD2-CB 4.24Å; W63-K68 HydrophobicContact CD2-CD 4.2Å; W63-K68 HydrophobicContact CE3-CB 3.47Å; W63-K68 VanDerWaalsContact CE3-CB 3.47Å; W63-K68 HydrophobicContact CE3-CD 3.96Å; W63-K68 HydrophobicContact CE3-CG 4.38Å; W63-K68 HydrophobicContact CH2-CD 4.36Å; W63-K68 HydrophobicContact CZ3-CB 3.88Å; W63-K68 HydrophobicContact CZ3-CD 4.06Å; W63-K68 PolarHBondContact O-N 3.38Å; W63-K68 VanDerWaalsContact O-N 3.14Å; S66-K68 PolarHBondContact O-N 3.2Å |
| 69 | L | 97.6 | Very high | 98.4 | Very high | 6 Ų | 6 | 45.1 Ų | 45.1 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | trans | -142 | 158 | 175.8 | -71.2 | 172.5 | 0 | 0 | 0 | 110.9 | F37 R42 W63 I64 G67 D73 L74 | F37-L69 HydrophobicContact CB-CD1 4.21Å; F37-L69 HydrophobicContact CD1-CD1 4.16Å; F37-L69 HydrophobicContact CD2-CD1 3.9Å; F37-L69 HydrophobicContact CE1-CD1 4.48Å; F37-L69 HydrophobicContact CE2-CD1 4.21Å; F37-L69 HydrophobicContact CG-CD1 3.85Å; R42-L69 VanDerWaalsContact CZ-CD2 3.49Å; W63-L69 HydrophobicContact CB-CD1 4.28Å; W63-L69 HydrophobicContact CD2-CD1 4.28Å; W63-L69 HydrophobicContact CE3-CD1 3.6Å; W63-L69 HydrophobicContact CE3-CG 3.76Å; W63-L69 HydrophobicContact CZ3-CD1 4.26Å; W63-L69 HydrophobicContact CZ3-CG 4.33Å; W63-L69 PolarHBondContact O-N 2.89Å; I64-L69 WeakPolarHBondContact CA-O 3.46Å; G67-L69 VanDerWaalsContact C-N 3.32Å; L69-D73 HydrophobicContact CD2-CB 4.19Å; L69-L74 HydrophobicContact CD1-CD2 4.08Å | ||
| 70 | K | 98.3 | Very high | 98.4 | Very high | 142 Ų | 142 | 44.6 Ų | 44.6 | 62% | 0.617 | 26% | 0.26 | S | S | * | . | trans | -105.5 | 154.1 | 165.4 | -59.7 | 176.7 | -176.1 | 178 | 0 | 109.2 | S72 D73 | K70-S72 WeakPolarHBondContact CB-OG 3.35Å; K70-S72 PolarHBondContact O-N 3.01Å; K70-S72 VanDerWaalsContact O-N 3.16Å; K70-D73 PolarHBondContact N-OD2 3.5Å; K70-D73 WeakPolarHBondContact O-CB 3.36Å; K70-D73 PolarHBondContact O-N 3.33Å | ||
| 71 | R | 98.4 | Very high | 98.2 | Very high | 44 Ų | 44 | 45.3 Ų | 45.3 | 17% | 0.166 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -54.1 | -35.6 | 172.2 | 176.1 | 58.5 | -170.4 | 96.6 | -7.5 | 112.1 | I64 D73 L74 F105 D107 | I64-R71 HydrophobicContact CD1-CB 4.1Å; R71-D73 PolarHBondContact O-N 3.33Å; R71-L74 PolarHBondContact NH1-O 3.06Å; R71-L74 PolarHBondContact O-N 2.93Å; R71-F105 HydrophobicContact CG-CE1 4.49Å; R71-F105 HydrophobicContact CG-CZ 4.32Å; R71-F105 PolarHBondContact NH2-O 3.21Å; R71-D107 IonicContact CZ-OD2 3.75Å; R71-D107 VanDerWaalsContact CZ-OD2 3.28Å; R71-D107 IonicContact NH1-OD1 2.94Å; R71-D107 IonicContact NH1-OD2 2.9Å; R71-D107 PolarHBondContact NH1-OD2 2.94Å; R71-D107 IonicContact NH2-OD2 3.26Å; R71-D107 PolarHBondContact NH2-OD2 3.48Å |
| 72 | S | 97.6 | Very high | 98.1 | Very high | 98 Ų | 98 | 43.5 Ų | 43.5 | 69% | 0.685 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -66.5 | -17 | 177.1 | 57.5 | 0 | 0 | 0 | 0 | 114.3 | K70 L74 | K70-S72 WeakPolarHBondContact CB-OG 3.35Å; K70-S72 PolarHBondContact O-N 3.01Å; K70-S72 VanDerWaalsContact O-N 3.16Å; S72-L74 VanDerWaalsContact C-N 3.3Å |
| 73 | D | 97.5 | Very high | 97.9 | Very high | 68 Ų | 68 | 41.4 Ų | 41.4 | 36% | 0.364 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -81.6 | -15.7 | 176.9 | -56.5 | -29 | 0 | 0 | 0 | 111.5 | R42 L69 K70 R71 | R42-D73 VanDerWaalsContact CB-O 3.27Å; R42-D73 WeakPolarHBondContact CB-O 3.21Å; R42-D73 VanDerWaalsContact CD-O 3.27Å; R42-D73 WeakPolarHBondContact CD-O 3.33Å; R42-D73 WeakPolarHBondContact CG-O 3.48Å; L69-D73 HydrophobicContact CD2-CB 4.19Å; K70-D73 PolarHBondContact N-OD2 3.5Å; K70-D73 WeakPolarHBondContact O-CB 3.36Å; K70-D73 PolarHBondContact O-N 3.33Å; R71-D73 PolarHBondContact O-N 3.33Å |
| 74 | L | 98.7 | Very high | 97.8 | Very high | 6 Ų | 6 | 40.5 Ų | 40.5 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | trans | -104.3 | 144.4 | -172.4 | -64.9 | 178.4 | 0 | 0 | 0 | 112.1 | F37 R42 I44 I60 L69 R71 S72 V76 | F37-L74 HydrophobicContact CD1-CD2 4.49Å; F37-L74 HydrophobicContact CE1-CD2 3.87Å; F37-L74 HydrophobicContact CZ-CD2 4.26Å; R42-L74 CarbonylContact O-C 3.49Å; R42-L74 WeakPolarHBondContact O-CA 3.48Å; I44-L74 HydrophobicContact CD1-CD2 4.36Å; I60-L74 HydrophobicContact CG1-CD1 4.23Å; I60-L74 HydrophobicContact CG2-CD1 3.84Å; L69-L74 HydrophobicContact CD1-CD2 4.08Å; R71-L74 PolarHBondContact NH1-O 3.06Å; R71-L74 PolarHBondContact O-N 2.93Å; S72-L74 VanDerWaalsContact C-N 3.3Å; L74-V76 HydrophobicContact CB-CG2 4.41Å | ||
| 75 | F | 98.9 | Very high | 97.8 | Very high | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.018 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 103.2 | 170.1 | -166.4 | -77.2 | 0 | 0 | 0 | 108.6 | L8 V12 H13 M14 P15 R42 M43 I44 I77 D107 L108 | L8-F75 HydrophobicContact CD1-CE2 4.42Å; L8-F75 HydrophobicContact CD1-CZ 4.16Å; V12-F75 HydrophobicContact CG1-CD2 4.41Å; V12-F75 HydrophobicContact CG1-CE2 3.71Å; H13-F75 WeakPolarHBondContact O-CD2 3.46Å; M14-F75 HydrophobicContact CB-CD2 4.27Å; M14-F75 HydrophobicContact CB-CE1 4.39Å; M14-F75 HydrophobicContact CB-CE2 3.73Å; M14-F75 HydrophobicContact CB-CZ 3.81Å; M14-F75 HydrophobicContact CG-CD1 4.13Å; M14-F75 HydrophobicContact CG-CD2 4.35Å; M14-F75 HydrophobicContact CG-CE1 3.69Å; M14-F75 HydrophobicContact CG-CE2 3.93Å; M14-F75 HydrophobicContact CG-CG 4.44Å; M14-F75 HydrophobicContact CG-CZ 3.59Å; M14-F75 HydrophobicContact SD-CE1 4.03Å; M14-F75 HydrophobicContact SD-CZ 4.02Å; P15-F75 HydrophobicContact CG-CB 4.17Å; R42-F75 PolarHBondContact O-N 3.47Å; M43-F75 CarbonylContact C-O 3.53Å; M43-F75 VanDerWaalsContact CA-O 3.25Å; M43-F75 WeakPolarHBondContact CA-O 3.38Å; M43-F75 HydrophobicContact CB-CB 4.24Å; M43-F75 HydrophobicContact CG-CB 4.47Å; M43-F75 HydrophobicContact CG-CD1 4.01Å; M43-F75 HydrophobicContact SD-CD1 4.13Å; I44-F75 PolarHBondContact N-O 2.82Å; F75-I77 HydrophobicContact CD1-CD1 4.39Å; F75-I77 HydrophobicContact CD1-CG1 3.85Å; F75-I77 HydrophobicContact CE1-CD1 4.15Å; F75-I77 HydrophobicContact CE1-CG1 3.71Å; F75-D107 WeakPolarHBondContact CA-OD2 3.32Å; F75-D107 HydrophobicContact CB-CB 4.4Å; F75-D107 HydrophobicContact CD1-CB 3.91Å; F75-D107 HydrophobicContact CD2-CB 3.59Å; F75-D107 HydrophobicContact CE1-CB 4.01Å; F75-D107 HydrophobicContact CE2-CB 3.69Å; F75-D107 HydrophobicContact CG-CB 3.7Å; F75-D107 HydrophobicContact CZ-CB 3.89Å; F75-L108 HydrophobicContact CE1-CB 3.63Å; F75-L108 HydrophobicContact CE1-CD2 4.17Å; F75-L108 HydrophobicContact CZ-CB 3.81Å; F75-L108 HydrophobicContact CZ-CD2 4.44Å |
| 76 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 122.3 | -176.9 | -174.7 | 0 | 0 | 0 | 0 | 109.9 | I44 I60 L74 L101 L103 V106 D107 L108 | I44-V76 HydrophobicContact CD1-CG2 4.38Å; I60-V76 HydrophobicContact CD1-CG2 4.21Å; L74-V76 HydrophobicContact CB-CG2 4.41Å; V76-L101 HydrophobicContact CG1-CD1 4.24Å; V76-L103 HydrophobicContact CB-CD1 4.05Å; V76-L103 HydrophobicContact CG1-CD1 3.92Å; V76-L103 HydrophobicContact CG2-CD1 3.9Å; V76-V106 HydrophobicContact CG1-CG1 4.38Å; V76-D107 PolarHBondContact N-OD2 2.85Å; V76-D107 PolarHBondContact O-N 3Å; V76-L108 PolarHBondContact O-N 3.45Å |
| 77 | I | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 129.8 | 174.4 | -47.9 | 179.4 | 0 | 0 | 0 | 108.6 | M43 I44 D45 T46 F75 L108 L110 | M43-I77 HydrophobicContact CG-CD1 4.04Å; M43-I77 HydrophobicContact CG-CG1 4.39Å; M43-I77 HydrophobicContact SD-CD1 3.71Å; I44-I77 PolarHBondContact O-N 3.18Å; D45-I77 HydrophobicContact CB-CD1 4.47Å; T46-I77 WeakPolarHBondContact CG2-O 3.39Å; T46-I77 PolarHBondContact N-O 3.03Å; F75-I77 HydrophobicContact CD1-CD1 4.39Å; F75-I77 HydrophobicContact CD1-CG1 3.85Å; F75-I77 HydrophobicContact CE1-CD1 4.15Å; F75-I77 HydrophobicContact CE1-CG1 3.71Å; I77-L108 WeakPolarHBondContact CA-O 3.41Å; I77-L108 HydrophobicContact CD1-CD2 4.05Å; I77-L108 HydrophobicContact CG1-CB 4.15Å; I77-L108 HydrophobicContact CG1-CD2 4.16Å; I77-L108 HydrophobicContact CG2-CB 4.25Å; I77-L108 HydrophobicContact CG2-CD2 4.11Å; I77-L108 HydrophobicContact CG2-CG 4.14Å; I77-L110 HydrophobicContact CG2-CD1 3.8Å; I77-L110 HydrophobicContact CG2-CG 4.08Å |
| 78 | T | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 171.3 | 163.4 | -162 | 0 | 0 | 0 | 0 | 110.8 | L94 V106 L108 F109 L110 | T78-L94 HydrophobicContact CG2-CD1 3.92Å; T78-V106 HydrophobicContact CG2-CB 4.41Å; T78-V106 HydrophobicContact CG2-CG1 3.87Å; T78-V106 HydrophobicContact CG2-CG2 4.14Å; T78-L108 PolarHBondContact N-O 3.35Å; T78-F109 HydrophobicContact CG2-CD2 3.57Å; T78-F109 HydrophobicContact CG2-CE2 3.91Å; T78-F109 WeakPolarHBondContact O-CA 3.36Å; T78-L110 PolarHBondContact O-N 3.08Å |
| 79 | K | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 145.5 | -170.3 | -42.8 | -176.2 | -178.9 | 72.1 | 0 | 111.4 | D45 T46 A47 P48 Y50 L110 H112 | D45-K79 IonicContact OD1-NZ 2.7Å; D45-K79 PolarHBondContact OD1-NZ 3.08Å; D45-K79 IonicContact OD2-NZ 3.23Å; D45-K79 PolarHBondContact OD2-NZ 3.44Å; T46-K79 PolarHBondContact O-NZ 2.86Å; A47-K79 HydrophobicContact CB-CB 3.89Å; A47-K79 HydrophobicContact CB-CD 4.03Å; A47-K79 HydrophobicContact CB-CG 3.91Å; P48-K79 WeakPolarHBondContact CD-O 3.39Å; Y50-K79 PolarHBondContact OH-NZ 3.44Å; K79-L110 CarbonylContact C-O 3.47Å; K79-L110 VanDerWaalsContact CA-O 3.24Å; K79-L110 WeakPolarHBondContact CA-O 3.45Å; K79-L110 HydrophobicContact CB-CB 4.42Å; K79-L110 HydrophobicContact CG-CB 4.17Å; K79-L110 HydrophobicContact CG-CD1 4.42Å; K79-H112 HydrophobicContact CB-CB 3.81Å; K79-H112 HydrophobicContact CD-CB 4.41Å; K79-H112 VanDerWaalsContact CD-CD2 3.42Å; K79-H112 WeakPolarHBondContact CD-CD2 3.29Å |
| 80 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -62.6 | 139.1 | 174.6 | -171.9 | 67 | 0 | 0 | 0 | 110.7 | A84 V90 N93 F109 L110 I111 H112 T146 | L80-A84 HydrophobicContact CD1-CB 4.01Å; L80-A84 WeakPolarHBondContact CD1-O 3.44Å; L80-A84 HydrophobicContact CG-CB 4.42Å; L80-V90 HydrophobicContact CD1-CB 4.27Å; L80-V90 HydrophobicContact CD1-CG1 4.4Å; L80-V90 HydrophobicContact CD1-CG2 4.01Å; L80-V90 HydrophobicContact CD2-CG2 3.91Å; L80-N93 HydrophobicContact CD1-CB 3.8Å; L80-F109 HydrophobicContact CB-CE1 4.44Å; L80-F109 HydrophobicContact CB-CE2 4.44Å; L80-F109 HydrophobicContact CB-CZ 3.88Å; L80-F109 HydrophobicContact CD1-CE1 4.27Å; L80-F109 HydrophobicContact CD1-CZ 3.79Å; L80-F109 HydrophobicContact CG-CZ 4.47Å; L80-L110 PolarHBondContact N-O 3.04Å; L80-I111 HydrophobicContact CD2-CG2 4.48Å; L80-H112 WeakPolarHBondContact O-CB 3.5Å; L80-T146 HydrophobicContact CD2-CG2 3.35Å | ||
| 81 | Q | 96.1 | Very high | 97.3 | Very high | 15 Ų | 15 | 31.2 Ų | 31.2 | 7% | 0.07 | 18% | 0.175 | C | C | . | . | trans | -64.8 | 143.8 | 170 | -74.1 | -64.2 | -74.8 | 0 | 0 | 111.1 | P48 F83 A84 N93 | P48-Q81 HydrophobicContact CB-CG 4.25Å; Q81-F83 HydrophobicContact CB-CD1 4.32Å; Q81-F83 HydrophobicContact CB-CD2 4.11Å; Q81-F83 HydrophobicContact CB-CE1 4.06Å; Q81-F83 HydrophobicContact CB-CE2 3.83Å; Q81-F83 HydrophobicContact CB-CG 4.34Å; Q81-F83 HydrophobicContact CB-CZ 3.8Å; Q81-F83 HydrophobicContact CG-CE1 4.16Å; Q81-F83 HydrophobicContact CG-CE2 4.02Å; Q81-F83 HydrophobicContact CG-CZ 3.68Å; Q81-F83 PolarHBondContact O-N 2.82Å; Q81-F83 VanDerWaalsContact O-N 3.09Å; Q81-F83 VanDerWaalsContact OE1-CE1 3.23Å; Q81-A84 HydrophobicContact CB-CB 3.86Å; Q81-A84 PolarHBondContact O-N 3.23Å; Q81-N93 WeakPolarHBondContact CB-ND2 3.24Å; Q81-N93 WeakPolarHBondContact CG-ND2 3.41Å; Q81-N93 PolarHBondContact N-OD1 3.42Å | ||
| 82 | I | 94.6 | Very high | 97.3 | Very high | 21 Ų | 21 | 34.6 Ų | 34.6 | 11% | 0.108 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -28.1 | 177.6 | -66 | 169.4 | 0 | 0 | 0 | 111.6 | H85 P116 A117 I129 | I82-H85 PolarHBondContact O-CD2 2.99Å; I82-H85 VanDerWaalsContact O-CD2 3.25Å; I82-P116 VanDerWaalsContact O-CA 3.3Å; I82-P116 WeakPolarHBondContact O-CA 3.34Å; I82-A117 HydrophobicContact CG2-CB 3.77Å; I82-A117 PolarHBondContact O-N 3.36Å; I82-A117 VanDerWaalsContact O-N 3.08Å; I82-I129 HydrophobicContact CB-CG2 4.05Å; I82-I129 HydrophobicContact CD1-CD1 3.93Å; I82-I129 HydrophobicContact CG2-CG2 4.03Å |
| 83 | F | 94.8 | Very high | 97.4 | Very high | 31 Ų | 31 | 30.7 Ų | 30.7 | 14% | 0.136 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 8.5 | 178.3 | 58 | -106.3 | 0 | 0 | 0 | 115.2 | Q81 A117 Q119 P127 I129 | Q81-F83 HydrophobicContact CB-CD1 4.32Å; Q81-F83 HydrophobicContact CB-CD2 4.11Å; Q81-F83 HydrophobicContact CB-CE1 4.06Å; Q81-F83 HydrophobicContact CB-CE2 3.83Å; Q81-F83 HydrophobicContact CB-CG 4.34Å; Q81-F83 HydrophobicContact CB-CZ 3.8Å; Q81-F83 HydrophobicContact CG-CE1 4.16Å; Q81-F83 HydrophobicContact CG-CE2 4.02Å; Q81-F83 HydrophobicContact CG-CZ 3.68Å; Q81-F83 PolarHBondContact O-N 2.82Å; Q81-F83 VanDerWaalsContact O-N 3.09Å; Q81-F83 VanDerWaalsContact OE1-CE1 3.23Å; F83-A117 WeakPolarHBondContact CA-O 3.32Å; F83-A117 WeakPolarHBondContact CB-O 3.39Å; F83-Q119 HydrophobicContact CB-CB 3.8Å; F83-Q119 HydrophobicContact CB-CG 4.4Å; F83-Q119 HydrophobicContact CD1-CG 4.23Å; F83-Q119 HydrophobicContact CD2-CB 3.94Å; F83-Q119 HydrophobicContact CD2-CG 3.82Å; F83-Q119 HydrophobicContact CE2-CG 4.13Å; F83-Q119 HydrophobicContact CG-CB 3.84Å; F83-Q119 HydrophobicContact CG-CG 3.88Å; F83-Q119 HydrophobicContact CZ-CG 4.47Å; F83-P127 HydrophobicContact CE1-CB 4.13Å; F83-P127 HydrophobicContact CE2-CB 4.47Å; F83-P127 HydrophobicContact CZ-CB 3.76Å; F83-I129 HydrophobicContact CD1-CG2 3.8Å |
| 84 | A | 97 | Very high | 97.4 | Very high | 6 Ų | 6 | 27.4 Ų | 27.4 | 5% | 0.05 | 15% | 0.145 | C | C | . | . | trans | -115.5 | 36.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L80 Q81 D89 V90 N93 | L80-A84 HydrophobicContact CD1-CB 4.01Å; L80-A84 WeakPolarHBondContact CD1-O 3.44Å; L80-A84 HydrophobicContact CG-CB 4.42Å; Q81-A84 HydrophobicContact CB-CB 3.86Å; Q81-A84 PolarHBondContact O-N 3.23Å; A84-D89 HydrophobicContact CB-CB 4.01Å; A84-V90 WeakPolarHBondContact O-CG2 3.32Å; A84-V90 PolarHBondContact O-N 3.46Å; A84-N93 HydrophobicContact CB-CB 4.02Å | ||
| 85 | H | 97.8 | Very high | 97.4 | Very high | 3 Ų | 3 | 30.9 Ų | 30.9 | 1% | 0.014 | 16% | 0.161 | C | C | . | . | trans | -81.5 | -19.3 | -172.7 | -85.7 | -121.8 | 0 | 0 | 0 | 115.1 | I82 S113 P116 V141 T146 | I82-H85 PolarHBondContact O-CD2 2.99Å; I82-H85 VanDerWaalsContact O-CD2 3.25Å; H85-S113 PolarHBondContact CE1-O 3.31Å; H85-S113 PolarHBondContact NE2-O 2.96Å; H85-P116 HydrophobicContact CB-CB 3.71Å; H85-V141 HydrophobicContact CB-CB 4.1Å; H85-V141 HydrophobicContact CB-CG1 4Å; H85-T146 HydrophobicContact CB-CG2 4.41Å; H85-T146 WeakPolarHBondContact CB-OG1 3.49Å; H85-T146 PolarHBondContact ND1-OG1 2.75Å; H85-T146 PolarHBondContact O-OG1 3.06Å | ||
| 86 | G | 96.7 | Very high | 97.4 | Very high | 11 Ų | 11 | 32.4 Ų | 32.4 | 11% | 0.113 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -63.9 | 146.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A88 D89 V90 | G86-A88 VanDerWaalsContact C-N 3.29Å; G86-A88 PolarHBondContact O-N 3.2Å; G86-A88 VanDerWaalsContact O-N 3.14Å; G86-D89 WeakPolarHBondContact O-CA 3.26Å; G86-D89 WeakPolarHBondContact O-CB 3.14Å; G86-D89 PolarHBondContact O-N 3.28Å; G86-V90 WeakPolarHBondContact O-CG2 3.33Å; G86-V90 PolarHBondContact O-N 3.39Å |
| 87 | K | 93.9 | Very high | 97.4 | Very high | 88 Ų | 88 | 32.4 Ų | 32.4 | 38% | 0.383 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -51.2 | -42.5 | -174.1 | -179.4 | 158.6 | -175.3 | 155.1 | 0 | 114.3 | E145 N148 A149 D152 | K87-E145 HydrophobicContact CB-CG 4.39Å; K87-E145 PolarHBondContact N-OE1 2.79Å; K87-N148 PolarHBondContact NZ-OD1 2.75Å; K87-A149 HydrophobicContact CB-CB 4.35Å; K87-A149 HydrophobicContact CG-CB 3.98Å; K87-D152 WeakPolarHBondContact CE-OD2 3.28Å; K87-D152 IonicContact NZ-OD2 2.79Å; K87-D152 PolarHBondContact NZ-OD2 2.82Å |
| 88 | A | 94.5 | Very high | 97.4 | Very high | 82 Ų | 82 | 33 Ų | 33 | 68% | 0.678 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -70.8 | -36.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | G86 K92 | G86-A88 VanDerWaalsContact C-N 3.29Å; G86-A88 PolarHBondContact O-N 3.2Å; G86-A88 VanDerWaalsContact O-N 3.14Å; A88-K92 PolarHBondContact O-N 3.39Å |
| 89 | D | 97.3 | Very high | 97.4 | Very high | 79 Ų | 79 | 40 Ų | 40 | 42% | 0.422 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -70 | -35.1 | -179.2 | -60.7 | -51 | 0 | 0 | 0 | 111.9 | A84 G86 K91 K92 N93 | A84-D89 HydrophobicContact CB-CB 4.01Å; G86-D89 WeakPolarHBondContact O-CA 3.26Å; G86-D89 WeakPolarHBondContact O-CB 3.14Å; G86-D89 PolarHBondContact O-N 3.28Å; D89-K91 PolarHBondContact O-N 3.08Å; D89-K92 PolarHBondContact O-N 3.29Å; D89-N93 WeakPolarHBondContact O-CB 3.3Å; D89-N93 PolarHBondContact O-N 3.09Å |
| 90 | V | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -55.3 | -51.7 | 175.4 | 169.2 | 0 | 0 | 0 | 0 | 111.3 | L80 A84 G86 N93 L94 F109 T146 A149 L150 L153 | L80-V90 HydrophobicContact CD1-CB 4.27Å; L80-V90 HydrophobicContact CD1-CG1 4.4Å; L80-V90 HydrophobicContact CD1-CG2 4.01Å; L80-V90 HydrophobicContact CD2-CG2 3.91Å; A84-V90 WeakPolarHBondContact O-CG2 3.32Å; A84-V90 PolarHBondContact O-N 3.46Å; G86-V90 WeakPolarHBondContact O-CG2 3.33Å; G86-V90 PolarHBondContact O-N 3.39Å; V90-N93 PolarHBondContact O-N 3.36Å; V90-L94 PolarHBondContact O-N 3.25Å; V90-L94 VanDerWaalsContact O-N 3.15Å; V90-F109 HydrophobicContact CG1-CE1 4.35Å; V90-T146 HydrophobicContact CG2-CG2 3.78Å; V90-A149 HydrophobicContact CB-CB 3.82Å; V90-A149 HydrophobicContact CG1-CB 3.71Å; V90-A149 HydrophobicContact CG2-CB 4Å; V90-L150 HydrophobicContact CG1-CD1 3.83Å; V90-L153 HydrophobicContact CG1-CD1 3.57Å; V90-L153 HydrophobicContact CG1-CG 4.43Å |
| 91 | K | 97.9 | Very high | 97.4 | Very high | 99 Ų | 99 | 43.6 Ų | 43.6 | 43% | 0.43 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.3 | -46.9 | 179.3 | -177.9 | 171.3 | -177.7 | 172.1 | 0 | 111.6 | D89 N93 L94 Q95 L153 | D89-K91 PolarHBondContact O-N 3.08Å; K91-N93 VanDerWaalsContact C-N 3.28Å; K91-N93 PolarHBondContact O-N 3.09Å; K91-L94 PolarHBondContact O-N 2.95Å; K91-Q95 WeakPolarHBondContact O-CG 3.36Å; K91-Q95 PolarHBondContact O-N 3.36Å; K91-L153 HydrophobicContact CB-CD2 3.95Å; K91-L153 HydrophobicContact CG-CD2 3.89Å |
| 92 | K | 98.1 | Very high | 97.5 | Very high | 115 Ų | 115 | 47 Ų | 47 | 50% | 0.5 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -58.8 | -42.8 | 177.7 | -176.3 | -179.4 | -179.8 | -61.3 | 0 | 111.2 | A88 D89 Q95 D96 | A88-K92 PolarHBondContact O-N 3.39Å; D89-K92 PolarHBondContact O-N 3.29Å; K92-Q95 PolarHBondContact O-N 2.88Å; K92-D96 IonicContact NZ-OD2 3.23Å; K92-D96 PolarHBondContact NZ-OD2 3.38Å; K92-D96 WeakPolarHBondContact O-CB 3.3Å; K92-D96 VanDerWaalsContact O-CG 3.28Å; K92-D96 PolarHBondContact O-N 3.09Å |
| 93 | N | 98.2 | Very high | 97.7 | Very high | 16 Ų | 16 | 46.7 Ų | 46.7 | 9% | 0.086 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.4 | -47 | -179 | -169.9 | -94.1 | 0 | 0 | 0 | 112.2 | L80 Q81 A84 D89 V90 K91 S97 | L80-N93 HydrophobicContact CD1-CB 3.8Å; Q81-N93 WeakPolarHBondContact CB-ND2 3.24Å; Q81-N93 WeakPolarHBondContact CG-ND2 3.41Å; Q81-N93 PolarHBondContact N-OD1 3.42Å; A84-N93 HydrophobicContact CB-CB 4.02Å; D89-N93 WeakPolarHBondContact O-CB 3.3Å; D89-N93 PolarHBondContact O-N 3.09Å; V90-N93 PolarHBondContact O-N 3.36Å; K91-N93 VanDerWaalsContact C-N 3.28Å; K91-N93 PolarHBondContact O-N 3.09Å; N93-S97 WeakPolarHBondContact O-CB 3.14Å; N93-S97 PolarHBondContact O-N 3.47Å; N93-S97 PolarHBondContact O-OG 2.73Å |
| 94 | L | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.1 | -44.8 | 177.1 | -179.5 | 56.5 | 0 | 0 | 0 | 111.1 | T78 V90 K91 D96 S97 L98 V106 F109 L153 L158 | T78-L94 HydrophobicContact CG2-CD1 3.92Å; V90-L94 PolarHBondContact O-N 3.25Å; V90-L94 VanDerWaalsContact O-N 3.15Å; K91-L94 PolarHBondContact O-N 2.95Å; L94-D96 VanDerWaalsContact C-N 3.33Å; L94-D96 PolarHBondContact O-N 3.4Å; L94-S97 CarbonylContact O-C 3.59Å; L94-S97 WeakPolarHBondContact O-CA 3.39Å; L94-S97 WeakPolarHBondContact O-CB 3.42Å; L94-S97 PolarHBondContact O-N 3Å; L94-S97 VanDerWaalsContact O-N 3.09Å; L94-L98 HydrophobicContact CD1-CD1 4.46Å; L94-L98 HydrophobicContact CD1-CG 4.14Å; L94-L98 HydrophobicContact CG-CD1 4.11Å; L94-L98 HydrophobicContact CG-CG 4.28Å; L94-L98 WeakPolarHBondContact O-CG 3.32Å; L94-L98 PolarHBondContact O-N 3.35Å; L94-V106 HydrophobicContact CD1-CG1 4.45Å; L94-V106 HydrophobicContact CD1-CG2 3.78Å; L94-F109 HydrophobicContact CB-CE1 4.17Å; L94-F109 HydrophobicContact CB-CE2 4.3Å; L94-F109 HydrophobicContact CB-CZ 3.99Å; L94-F109 HydrophobicContact CD1-CD2 3.85Å; L94-F109 HydrophobicContact CD1-CE2 4.02Å; L94-F109 HydrophobicContact CD1-CG 4.19Å; L94-F109 HydrophobicContact CD2-CD1 4.19Å; L94-F109 HydrophobicContact CD2-CG 4.29Å; L94-L153 HydrophobicContact CB-CD1 4.09Å; L94-L153 HydrophobicContact CD2-CB 4.27Å; L94-L153 HydrophobicContact CD2-CD1 3.76Å; L94-L153 HydrophobicContact CD2-CG 4.41Å; L94-L158 HydrophobicContact CD2-CB 3.72Å |
| 95 | Q | 98.5 | Very high | 97.9 | Very high | 79 Ų | 79 | 54.5 Ų | 54.5 | 37% | 0.369 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.7 | -41.8 | 177.7 | -73.2 | -179.8 | -37.4 | 0 | 0 | 112.7 | K91 K92 S97 L98 K99 | K91-Q95 WeakPolarHBondContact O-CG 3.36Å; K91-Q95 PolarHBondContact O-N 3.36Å; K92-Q95 PolarHBondContact O-N 2.88Å; Q95-S97 VanDerWaalsContact C-N 3.3Å; Q95-S97 PolarHBondContact O-N 3.49Å; Q95-L98 PolarHBondContact O-N 3.04Å; Q95-K99 WeakPolarHBondContact O-CG 3.44Å; Q95-K99 PolarHBondContact O-N 2.82Å |
| 96 | D | 98.4 | Very high | 98 | Very high | 35 Ų | 35 | 54.4 Ų | 54.4 | 19% | 0.187 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.8 | -34 | 176.7 | -71 | -19.6 | 0 | 0 | 0 | 111.3 | K92 L94 K99 R100 | K92-D96 IonicContact NZ-OD2 3.23Å; K92-D96 PolarHBondContact NZ-OD2 3.38Å; K92-D96 WeakPolarHBondContact O-CB 3.3Å; K92-D96 VanDerWaalsContact O-CG 3.28Å; K92-D96 PolarHBondContact O-N 3.09Å; L94-D96 VanDerWaalsContact C-N 3.33Å; L94-D96 PolarHBondContact O-N 3.4Å; D96-K99 IonicContact OD1-NZ 3.96Å; D96-K99 PolarHBondContact OD1-NZ 3.33Å; D96-R100 PolarHBondContact O-N 3.21Å; D96-R100 PolarHBondContact O-NH1 3.03Å |
| 97 | S | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.6 | -42.9 | 172.7 | -54 | 0 | 0 | 0 | 0 | 112.3 | P48 N93 L94 Q95 K99 R100 L101 | P48-S97 WeakPolarHBondContact CG-OG 3.02Å; N93-S97 WeakPolarHBondContact O-CB 3.14Å; N93-S97 PolarHBondContact O-N 3.47Å; N93-S97 PolarHBondContact O-OG 2.73Å; L94-S97 CarbonylContact O-C 3.59Å; L94-S97 WeakPolarHBondContact O-CA 3.39Å; L94-S97 WeakPolarHBondContact O-CB 3.42Å; L94-S97 PolarHBondContact O-N 3Å; L94-S97 VanDerWaalsContact O-N 3.09Å; Q95-S97 VanDerWaalsContact C-N 3.3Å; Q95-S97 PolarHBondContact O-N 3.49Å; S97-K99 VanDerWaalsContact C-N 3.33Å; S97-K99 PolarHBondContact O-N 3.48Å; S97-R100 PolarHBondContact O-N 3.23Å; S97-R100 PolarHBondContact OG-NH2 2.94Å; S97-L101 WeakPolarHBondContact O-CB 3.48Å; S97-L101 VanDerWaalsContact O-CG 3.32Å; S97-L101 WeakPolarHBondContact O-CG 3.49Å; S97-L101 PolarHBondContact O-N 3.26Å |
| 98 | L | 98.8 | Very high | 98.3 | Very high | 12 Ų | 12 | 49.8 Ų | 49.8 | 6% | 0.063 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.3 | -41.2 | 176.1 | -74 | 173.5 | 0 | 0 | 0 | 111.7 | L94 Q95 Q102 L103 V106 L158 | L94-L98 HydrophobicContact CD1-CD1 4.46Å; L94-L98 HydrophobicContact CD1-CG 4.14Å; L94-L98 HydrophobicContact CG-CD1 4.11Å; L94-L98 HydrophobicContact CG-CG 4.28Å; L94-L98 WeakPolarHBondContact O-CG 3.32Å; L94-L98 PolarHBondContact O-N 3.35Å; Q95-L98 PolarHBondContact O-N 3.04Å; L98-Q102 WeakPolarHBondContact O-CA 3.43Å; L98-Q102 PolarHBondContact O-N 2.76Å; L98-L103 WeakPolarHBondContact CB-O 3.47Å; L98-L103 HydrophobicContact CD2-CB 4.08Å; L98-L103 WeakPolarHBondContact CD2-O 3.46Å; L98-L103 PolarHBondContact O-N 3.02Å; L98-V106 HydrophobicContact CD2-CG1 3.85Å; L98-L158 HydrophobicContact CD1-CB 4.4Å; L98-L158 HydrophobicContact CD1-CD2 3.85Å |
| 99 | K | 98.7 | Very high | 98.6 | Very high | 147 Ų | 147 | 45.9 Ų | 45.9 | 64% | 0.639 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -60.5 | -49 | 173.5 | -69.9 | 170.1 | -169 | 163.5 | 0 | 112.1 | Q95 D96 S97 Q102 | Q95-K99 WeakPolarHBondContact O-CG 3.44Å; Q95-K99 PolarHBondContact O-N 2.82Å; D96-K99 IonicContact OD1-NZ 3.96Å; D96-K99 PolarHBondContact OD1-NZ 3.33Å; S97-K99 VanDerWaalsContact C-N 3.33Å; S97-K99 PolarHBondContact O-N 3.48Å; K99-Q102 PolarHBondContact O-N 2.78Å |
| 100 | R | 98.7 | Very high | 98.6 | Very high | 76 Ų | 76 | 42.1 Ų | 42.1 | 29% | 0.287 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -66.2 | -41.1 | -179.4 | -69.7 | -171.4 | -59.9 | -77.9 | -15.3 | 111.9 | D53 V54 D96 S97 Q102 | D53-R100 HydrophobicContact CB-CB 4.2Å; D53-R100 CarbonylContact O-C 2.94Å; D53-R100 WeakPolarHBondContact OD1-CD 3.22Å; D53-R100 IonicContact OD1-NE 3.01Å; D53-R100 PolarHBondContact OD1-NE 3.01Å; D53-R100 VanDerWaalsContact OD1-NE 3.11Å; D53-R100 IonicContact OD2-CZ 3.29Å; D53-R100 VanDerWaalsContact OD2-CZ 3.25Å; D53-R100 IonicContact OD2-NE 3.59Å; D53-R100 PolarHBondContact OD2-NE 2.92Å; D53-R100 IonicContact OD2-NH2 3.04Å; D53-R100 PolarHBondContact OD2-NH2 2.94Å; V54-R100 WeakPolarHBondContact CA-O 3.09Å; V54-R100 HydrophobicContact CG2-CB 3.85Å; V54-R100 HydrophobicContact CG2-CG 3.78Å; D96-R100 PolarHBondContact O-N 3.21Å; D96-R100 PolarHBondContact O-NH1 3.03Å; S97-R100 PolarHBondContact O-N 3.23Å; S97-R100 PolarHBondContact OG-NH2 2.94Å; R100-Q102 PolarHBondContact O-N 3.36Å |
| 101 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -73.2 | -12.4 | 175 | -68.7 | 167.8 | 0 | 0 | 0 | 113.5 | T46 D53 I56 G57 V76 S97 L103 V106 | T46-L101 HydrophobicContact CG2-CD1 4.2Å; T46-L101 HydrophobicContact CG2-CD2 4.07Å; D53-L101 HydrophobicContact CB-CD2 3.89Å; D53-L101 HydrophobicContact CB-CG 4.1Å; I56-L101 HydrophobicContact CB-CD2 4.11Å; I56-L101 HydrophobicContact CG2-CD2 3.75Å; G57-L101 WeakPolarHBondContact CA-O 3.23Å; V76-L101 HydrophobicContact CG1-CD1 4.24Å; S97-L101 WeakPolarHBondContact O-CB 3.48Å; S97-L101 VanDerWaalsContact O-CG 3.32Å; S97-L101 WeakPolarHBondContact O-CG 3.49Å; S97-L101 PolarHBondContact O-N 3.26Å; L101-L103 HydrophobicContact CB-CB 4.43Å; L101-L103 HydrophobicContact CB-CD1 3.9Å; L101-L103 HydrophobicContact CB-CG 3.95Å; L101-L103 HydrophobicContact CD1-CD1 4.41Å; L101-V106 HydrophobicContact CD1-CG1 4.11Å |
| 102 | Q | 98.8 | Very high | 98.6 | Very high | 86 Ų | 86 | 38.4 Ų | 38.4 | 40% | 0.402 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 49.3 | -174.5 | -54.4 | 175 | 57 | 0 | 0 | 111.5 | Q61 L98 K99 R100 | Q61-Q102 HydrophobicContact CG-CB 3.67Å; Q61-Q102 HydrophobicContact CG-CG 4.45Å; Q61-Q102 PolarHBondContact NE2-O 3.41Å; L98-Q102 WeakPolarHBondContact O-CA 3.43Å; L98-Q102 PolarHBondContact O-N 2.76Å; K99-Q102 PolarHBondContact O-N 2.78Å; R100-Q102 PolarHBondContact O-N 3.36Å |
| 103 | L | 98.7 | Very high | 98.5 | Very high | 15 Ų | 15 | 33.1 Ų | 33.1 | 8% | 0.079 | 16% | 0.156 | C | C | . | . | trans | -128.7 | 149.7 | -178.2 | -63 | 177.4 | 0 | 0 | 0 | 111.2 | I60 V76 L98 L101 | I60-L103 HydrophobicContact CG2-CD2 4.23Å; V76-L103 HydrophobicContact CB-CD1 4.05Å; V76-L103 HydrophobicContact CG1-CD1 3.92Å; V76-L103 HydrophobicContact CG2-CD1 3.9Å; L98-L103 WeakPolarHBondContact CB-O 3.47Å; L98-L103 HydrophobicContact CD2-CB 4.08Å; L98-L103 WeakPolarHBondContact CD2-O 3.46Å; L98-L103 PolarHBondContact O-N 3.02Å; L101-L103 HydrophobicContact CB-CB 4.43Å; L101-L103 HydrophobicContact CB-CD1 3.9Å; L101-L103 HydrophobicContact CB-CG 3.95Å; L101-L103 HydrophobicContact CD1-CD1 4.41Å | ||
| 104 | D | 98.5 | Very high | 98.4 | Very high | 146 Ų | 146 | 32.6 Ų | 32.6 | 78% | 0.781 | 15% | 0.153 | S | C | * | . | S | Bend | trans | -79.5 | -30.3 | 172 | -55.6 | -52 | 0 | 0 | 0 | 112.3 | ||
| 105 | F | 98.8 | Very high | 98.1 | Very high | 56 Ų | 56 | 36 Ų | 36 | 25% | 0.246 | 17% | 0.17 | C | C | . | . | trans | -150.1 | 158.2 | 177.1 | 69.4 | -89.5 | 0 | 0 | 0 | 111.7 | R71 G157 L158 R160 | R71-F105 HydrophobicContact CG-CE1 4.49Å; R71-F105 HydrophobicContact CG-CZ 4.32Å; R71-F105 PolarHBondContact NH2-O 3.21Å; F105-G157 WeakPolarHBondContact CB-O 3.01Å; F105-L158 WeakPolarHBondContact CA-O 3.34Å; F105-R160 HydrophobicContact CD2-CG 3.77Å; F105-R160 HydrophobicContact CE2-CG 3.86Å | ||
| 106 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | B | Isolated β-bridge | trans | -105.3 | 149.2 | 166.6 | -63.9 | 0 | 0 | 0 | 0 | 111.1 | V76 T78 L94 L98 L101 L108 F109 L158 T159 R160 | V76-V106 HydrophobicContact CG1-CG1 4.38Å; T78-V106 HydrophobicContact CG2-CB 4.41Å; T78-V106 HydrophobicContact CG2-CG1 3.87Å; T78-V106 HydrophobicContact CG2-CG2 4.14Å; L94-V106 HydrophobicContact CD1-CG1 4.45Å; L94-V106 HydrophobicContact CD1-CG2 3.78Å; L98-V106 HydrophobicContact CD2-CG1 3.85Å; L101-V106 HydrophobicContact CD1-CG1 4.11Å; V106-L108 VanDerWaalsContact C-N 3.35Å; V106-F109 HydrophobicContact CG2-CB 4.07Å; V106-L158 PolarHBondContact N-O 3.42Å; V106-T159 CarbonylContact O-C 3.6Å; V106-T159 WeakPolarHBondContact O-CA 3.08Å; V106-T159 PolarHBondContact O-OG1 3.27Å; V106-R160 PolarHBondContact O-N 3.13Å |
| 107 | D | 98.9 | Very high | 97.7 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.011 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -75.4 | -28.5 | -177.9 | -63.5 | -88.9 | 0 | 0 | 0 | 112.5 | R71 F75 V76 R160 S161 | R71-D107 IonicContact CZ-OD2 3.75Å; R71-D107 VanDerWaalsContact CZ-OD2 3.28Å; R71-D107 IonicContact NH1-OD1 2.94Å; R71-D107 IonicContact NH1-OD2 2.9Å; R71-D107 PolarHBondContact NH1-OD2 2.94Å; R71-D107 IonicContact NH2-OD2 3.26Å; R71-D107 PolarHBondContact NH2-OD2 3.48Å; F75-D107 WeakPolarHBondContact CA-OD2 3.32Å; F75-D107 HydrophobicContact CB-CB 4.4Å; F75-D107 HydrophobicContact CD1-CB 3.91Å; F75-D107 HydrophobicContact CD2-CB 3.59Å; F75-D107 HydrophobicContact CE1-CB 4.01Å; F75-D107 HydrophobicContact CE2-CB 3.69Å; F75-D107 HydrophobicContact CG-CB 3.7Å; F75-D107 HydrophobicContact CZ-CB 3.89Å; V76-D107 PolarHBondContact N-OD2 2.85Å; V76-D107 PolarHBondContact O-N 3Å; D107-R160 WeakPolarHBondContact OD1-CD 3.42Å; D107-R160 IonicContact OD1-NH1 2.75Å; D107-R160 PolarHBondContact OD1-NH1 3Å; D107-S161 VanDerWaalsContact O-CB 3.3Å; D107-S161 WeakPolarHBondContact O-CB 3.02Å; D107-S161 PolarHBondContact O-N 3.16Å; D107-S161 VanDerWaalsContact O-N 3.09Å; D107-S161 PolarHBondContact O-OG 2.94Å |
| 108 | L | 99 | Very high | 97.5 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 127.1 | 175.5 | 179 | 60.9 | 0 | 0 | 0 | 111 | M14 F75 V76 I77 T78 V106 L110 S161 N185 | M14-L108 HydrophobicContact SD-CD2 4.24Å; F75-L108 HydrophobicContact CE1-CB 3.63Å; F75-L108 HydrophobicContact CE1-CD2 4.17Å; F75-L108 HydrophobicContact CZ-CB 3.81Å; F75-L108 HydrophobicContact CZ-CD2 4.44Å; V76-L108 PolarHBondContact O-N 3.45Å; I77-L108 WeakPolarHBondContact CA-O 3.41Å; I77-L108 HydrophobicContact CD1-CD2 4.05Å; I77-L108 HydrophobicContact CG1-CB 4.15Å; I77-L108 HydrophobicContact CG1-CD2 4.16Å; I77-L108 HydrophobicContact CG2-CB 4.25Å; I77-L108 HydrophobicContact CG2-CD2 4.11Å; I77-L108 HydrophobicContact CG2-CG 4.14Å; T78-L108 PolarHBondContact N-O 3.35Å; V106-L108 VanDerWaalsContact C-N 3.35Å; L108-L110 HydrophobicContact CD1-CD2 3.71Å; L108-L110 HydrophobicContact CD2-CD2 3.9Å; L108-L110 HydrophobicContact CD2-CG 4.35Å; L108-L110 HydrophobicContact CG-CD2 3.67Å; L108-L110 HydrophobicContact CG-CG 4.06Å; L108-S161 CarbonylContact C-O 3.49Å; L108-S161 VanDerWaalsContact CA-O 3.3Å; L108-S161 WeakPolarHBondContact CA-O 3.35Å; L108-N185 HydrophobicContact CD1-CB 4.13Å; L108-N185 HydrophobicContact CD2-CB 3.76Å |
| 109 | F | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 126.8 | 171.3 | -171.2 | -128.7 | 0 | 0 | 0 | 110.8 | T78 L80 V90 L94 V106 L150 L153 T159 S161 I162 G163 | T78-F109 HydrophobicContact CG2-CD2 3.57Å; T78-F109 HydrophobicContact CG2-CE2 3.91Å; T78-F109 WeakPolarHBondContact O-CA 3.36Å; L80-F109 HydrophobicContact CB-CE1 4.44Å; L80-F109 HydrophobicContact CB-CE2 4.44Å; L80-F109 HydrophobicContact CB-CZ 3.88Å; L80-F109 HydrophobicContact CD1-CE1 4.27Å; L80-F109 HydrophobicContact CD1-CZ 3.79Å; L80-F109 HydrophobicContact CG-CZ 4.47Å; V90-F109 HydrophobicContact CG1-CE1 4.35Å; L94-F109 HydrophobicContact CB-CE1 4.17Å; L94-F109 HydrophobicContact CB-CE2 4.3Å; L94-F109 HydrophobicContact CB-CZ 3.99Å; L94-F109 HydrophobicContact CD1-CD2 3.85Å; L94-F109 HydrophobicContact CD1-CE2 4.02Å; L94-F109 HydrophobicContact CD1-CG 4.19Å; L94-F109 HydrophobicContact CD2-CD1 4.19Å; L94-F109 HydrophobicContact CD2-CG 4.29Å; V106-F109 HydrophobicContact CG2-CB 4.07Å; F109-L150 HydrophobicContact CD1-CD2 4.16Å; F109-L150 HydrophobicContact CD1-CG 3.96Å; F109-L150 HydrophobicContact CE1-CD1 4.34Å; F109-L150 HydrophobicContact CE1-CG 4.22Å; F109-L153 HydrophobicContact CD1-CD1 4.01Å; F109-L153 HydrophobicContact CE1-CD1 3.82Å; F109-T159 HydrophobicContact CB-CG2 4.1Å; F109-T159 PolarHBondContact N-OG1 3.09Å; F109-S161 PolarHBondContact N-O 3.2Å; F109-I162 CarbonylContact O-C 3.55Å; F109-I162 WeakPolarHBondContact O-CA 3.23Å; F109-G163 PolarHBondContact O-N 3.41Å |
| 110 | L | 99 | Very high | 97 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 139.1 | -174.8 | -56.7 | 178.3 | 0 | 0 | 0 | 112 | I77 T78 K79 L80 L108 H112 G163 N185 Q187 | I77-L110 HydrophobicContact CG2-CD1 3.8Å; I77-L110 HydrophobicContact CG2-CG 4.08Å; T78-L110 PolarHBondContact O-N 3.08Å; K79-L110 CarbonylContact C-O 3.47Å; K79-L110 VanDerWaalsContact CA-O 3.24Å; K79-L110 WeakPolarHBondContact CA-O 3.45Å; K79-L110 HydrophobicContact CB-CB 4.42Å; K79-L110 HydrophobicContact CG-CB 4.17Å; K79-L110 HydrophobicContact CG-CD1 4.42Å; L80-L110 PolarHBondContact N-O 3.04Å; L108-L110 HydrophobicContact CD1-CD2 3.71Å; L108-L110 HydrophobicContact CD2-CD2 3.9Å; L108-L110 HydrophobicContact CD2-CG 4.35Å; L108-L110 HydrophobicContact CG-CD2 3.67Å; L108-L110 HydrophobicContact CG-CG 4.06Å; L110-H112 PolarHBondContact O-N 2.93Å; L110-G163 WeakPolarHBondContact CA-O 3.37Å; L110-G163 VanDerWaalsContact CD2-C 3.44Å; L110-G163 VanDerWaalsContact CD2-CA 3.49Å; L110-N185 HydrophobicContact CD2-CB 4.48Å; L110-Q187 HydrophobicContact CD1-CB 3.83Å |
| 111 | I | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 118.3 | 156.5 | -54.7 | -177.6 | 0 | 0 | 0 | 107.2 | L80 S113 T146 W147 L150 G163 V164 S165 F167 | L80-I111 HydrophobicContact CD2-CG2 4.48Å; I111-S113 WeakPolarHBondContact CG2-O 3.46Å; I111-S113 PolarHBondContact O-N 3.44Å; I111-T146 HydrophobicContact CD1-CG2 3.75Å; I111-T146 HydrophobicContact CG1-CG2 4.1Å; I111-W147 HydrophobicContact CD1-CE3 3.88Å; I111-L150 HydrophobicContact CD1-CD1 4.2Å; I111-L150 HydrophobicContact CD1-CD2 4.4Å; I111-L150 HydrophobicContact CG1-CD1 3.8Å; I111-L150 HydrophobicContact CG1-CD2 3.67Å; I111-L150 HydrophobicContact CG1-CG 4.42Å; I111-G163 PolarHBondContact N-O 3.5Å; I111-V164 HydrophobicContact CB-CG1 4.39Å; I111-V164 HydrophobicContact CD1-CG1 4.41Å; I111-V164 CarbonylContact O-C 3.54Å; I111-S165 WeakPolarHBondContact O-CA 3.26Å; I111-S165 WeakPolarHBondContact O-CB 3.39Å; I111-S165 PolarHBondContact O-N 3.29Å; I111-F167 HydrophobicContact CB-CE2 4.09Å; I111-F167 HydrophobicContact CB-CZ 4.3Å; I111-F167 HydrophobicContact CD1-CZ 4.31Å; I111-F167 HydrophobicContact CG2-CE2 3.87Å; I111-F167 HydrophobicContact CG2-CZ 4Å |
| 112 | H | 97.6 | Very high | 96.2 | Very high | 22 Ų | 22 | 36.2 Ų | 36.2 | 10% | 0.102 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -72.7 | -29.6 | -171.1 | -158.7 | 168.5 | 0 | 0 | 0 | 113.4 | Y50 K79 L80 L110 S165 N166 | Y50-H112 AromaticContact CE1-CE1 3.83Å; K79-H112 HydrophobicContact CB-CB 3.81Å; K79-H112 HydrophobicContact CD-CB 4.41Å; K79-H112 VanDerWaalsContact CD-CD2 3.42Å; K79-H112 WeakPolarHBondContact CD-CD2 3.29Å; L80-H112 WeakPolarHBondContact O-CB 3.5Å; L110-H112 PolarHBondContact O-N 2.93Å; H112-S165 CarbonylContact C-O 3.55Å; H112-S165 CarbonylContact O-C 3.46Å; H112-S165 WeakPolarHBondContact O-CB 3.38Å; H112-S165 VanDerWaalsContact O-O 3.1Å; H112-N166 PolarHBondContact O-ND2 2.98Å |
| 113 | S | 95.4 | Very high | 95.7 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | trans | -149.3 | 145.6 | 178.7 | 175.9 | 0 | 0 | 0 | 0 | 109.3 | H85 I111 M115 W314 | H85-S113 PolarHBondContact CE1-O 3.31Å; H85-S113 PolarHBondContact NE2-O 2.96Å; I111-S113 WeakPolarHBondContact CG2-O 3.46Å; I111-S113 PolarHBondContact O-N 3.44Å; S113-M115 PolarHBondContact O-N 3.47Å; S113-M115 PolarHBondContact OG-N 2.83Å; S113-W314 WeakPolarHBondContact OG-CZ3 2.97Å | ||
| 114 | P | 95.7 | Very high | 95.2 | Very high | 5 Ų | 5 | 43.6 Ų | 43.6 | 3% | 0.032 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -70.4 | -14.1 | 173 | 28.5 | -34 | 0 | 0 | 0 | 113.4 | P116 N166 F167 | P114-P116 WeakPolarHBondContact O-CD 3.32Å; P114-N166 WeakPolarHBondContact CD-O 3.14Å; P114-F167 VanDerWaalsContact CA-CE2 3.4Å; P114-F167 VanDerWaalsContact CA-CZ 3.45Å; P114-F167 HydrophobicContact CB-CD1 4.08Å; P114-F167 HydrophobicContact CB-CD2 3.8Å; P114-F167 HydrophobicContact CB-CE1 3.81Å; P114-F167 HydrophobicContact CB-CE2 3.58Å; P114-F167 HydrophobicContact CB-CG 4.07Å; P114-F167 HydrophobicContact CB-CZ 3.57Å; P114-F167 HydrophobicContact CG-CD2 4.07Å; P114-F167 HydrophobicContact CG-CE2 4.21Å; P114-F167 HydrophobicContact CG-CG 4.43Å; P114-F167 VanDerWaalsContact N-CE2 3.31Å |
| 115 | M | 92.9 | Very high | 94.8 | Very high | 72 Ų | 72 | 39.3 Ų | 39.3 | 36% | 0.355 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -106.2 | 104.9 | -172.9 | -66 | -57.8 | -50.2 | 0 | 0 | 110.2 | S113 W314 | S113-M115 PolarHBondContact O-N 3.47Å; S113-M115 PolarHBondContact OG-N 2.83Å; M115-W314 HydrophobicContact CB-CB 4.46Å; M115-W314 HydrophobicContact CB-CE3 4.32Å; M115-W314 HydrophobicContact CG-CB 3.85Å; M115-W314 HydrophobicContact CG-CD2 4.39Å; M115-W314 HydrophobicContact CG-CE3 4.44Å; M115-W314 HydrophobicContact CG-CG 4.25Å |
| 116 | P | 94.4 | Very high | 94.3 | Very high | 9 Ų | 9 | 38.6 Ų | 38.6 | 6% | 0.058 | 23% | 0.227 | C | C | . | . | trans | -74.1 | 152.6 | 175.1 | 34 | -37.9 | 0 | 0 | 0 | 111.4 | I82 H85 P114 D139 V141 | I82-P116 VanDerWaalsContact O-CA 3.3Å; I82-P116 WeakPolarHBondContact O-CA 3.34Å; H85-P116 HydrophobicContact CB-CB 3.71Å; P114-P116 WeakPolarHBondContact O-CD 3.32Å; P116-D139 HydrophobicContact CB-CB 3.69Å; P116-D139 HydrophobicContact CG-CB 3.83Å; P116-D139 PolarHBondContact O-N 2.85Å; P116-V141 HydrophobicContact CG-CB 4.48Å; P116-V141 WeakPolarHBondContact CG-O 3.23Å | ||
| 117 | A | 93.8 | Very high | 93.9 | Very high | 2 Ų | 2 | 41.6 Ų | 41.6 | 2% | 0.017 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -133.4 | 148.9 | 175 | 0 | 0 | 0 | 0 | 0 | 110.7 | I82 F83 I129 I136 I137 | I82-A117 HydrophobicContact CG2-CB 3.77Å; I82-A117 PolarHBondContact O-N 3.36Å; I82-A117 VanDerWaalsContact O-N 3.08Å; F83-A117 WeakPolarHBondContact CA-O 3.32Å; F83-A117 WeakPolarHBondContact CB-O 3.39Å; A117-I129 HydrophobicContact CB-CB 4.36Å; A117-I129 HydrophobicContact CB-CG2 4.33Å; A117-I136 HydrophobicContact CB-CG2 3.5Å; A117-I137 CarbonylContact C-O 3.5Å; A117-I137 VanDerWaalsContact CA-O 3.24Å; A117-I137 WeakPolarHBondContact CA-O 3.36Å; A117-I137 WeakPolarHBondContact CB-O 3.13Å |
| 118 | K | 94.5 | Very high | 93.5 | Very high | 76 Ų | 76 | 42.6 Ų | 42.6 | 33% | 0.33 | 25% | 0.253 | S | S | . | . | trans | -62 | 139.5 | 175.2 | -62.3 | -71.6 | 175.2 | -161 | 0 | 110.1 | M120 I137 D139 D140 | K118-M120 HydrophobicContact CB-CE 3.33Å; K118-M120 WeakPolarHBondContact O-CE 3.42Å; K118-M120 PolarHBondContact O-N 3.5Å; K118-I137 HydrophobicContact CB-CB 4.27Å; K118-I137 HydrophobicContact CB-CG2 4.28Å; K118-I137 HydrophobicContact CG-CB 4.33Å; K118-I137 HydrophobicContact CG-CG2 3.81Å; K118-I137 PolarHBondContact N-O 3.26Å; K118-D139 HydrophobicContact CD-CB 4.41Å; K118-D139 WeakPolarHBondContact CD-OD2 3.31Å; K118-D139 WeakPolarHBondContact CE-OD1 3.2Å; K118-D139 IonicContact NZ-OD1 2.72Å; K118-D139 PolarHBondContact NZ-OD1 3.42Å; K118-D139 IonicContact NZ-OD2 3.47Å; K118-D139 PolarHBondContact NZ-OD2 2.72Å; K118-D140 IonicContact NZ-OD1 2.64Å; K118-D140 PolarHBondContact NZ-OD1 2.96Å | ||
| 119 | Q | 94.3 | Very high | 93.1 | Very high | 107 Ų | 107 | 42.9 Ų | 42.9 | 50% | 0.5 | 25% | 0.254 | S | S | . | . | trans | -69.1 | 125.3 | 174.2 | -169.3 | -178.2 | -58.3 | 0 | 0 | 110.3 | F83 P127 | F83-Q119 HydrophobicContact CB-CB 3.8Å; F83-Q119 HydrophobicContact CB-CG 4.4Å; F83-Q119 HydrophobicContact CD1-CG 4.23Å; F83-Q119 HydrophobicContact CD2-CB 3.94Å; F83-Q119 HydrophobicContact CD2-CG 3.82Å; F83-Q119 HydrophobicContact CE2-CG 4.13Å; F83-Q119 HydrophobicContact CG-CB 3.84Å; F83-Q119 HydrophobicContact CG-CG 3.88Å; F83-Q119 HydrophobicContact CZ-CG 4.47Å; Q119-P127 HydrophobicContact CG-CB 4.23Å | ||
| 120 | M | 93.6 | Very high | 92.7 | Very high | 40 Ų | 40 | 44.4 Ų | 44.4 | 20% | 0.197 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 167.4 | 171.9 | -58.4 | -60.8 | 123.7 | 0 | 0 | 110.1 | K118 T128 F130 T131 I137 | K118-M120 HydrophobicContact CB-CE 3.33Å; K118-M120 WeakPolarHBondContact O-CE 3.42Å; K118-M120 PolarHBondContact O-N 3.5Å; M120-T128 WeakPolarHBondContact CA-O 3.23Å; M120-T128 HydrophobicContact CB-CG2 3.75Å; M120-T128 PolarHBondContact N-O 2.84Å; M120-T128 PolarHBondContact O-N 3.28Å; M120-F130 VanDerWaalsContact CB-O 3.26Å; M120-F130 WeakPolarHBondContact CB-O 3.36Å; M120-T131 HydrophobicContact SD-CG2 4.24Å; M120-I137 HydrophobicContact CE-CB 4.3Å; M120-I137 HydrophobicContact CE-CD1 3.94Å; M120-I137 HydrophobicContact CE-CG1 4.43Å; M120-I137 HydrophobicContact SD-CD1 4.28Å |
| 121 | V | 91.8 | Very high | 92.2 | Very high | 107 Ų | 107 | 45.7 Ų | 45.7 | 65% | 0.648 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 123 | 173 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | ||
| 122 | G | 88.2 | Confident | 91.7 | Very high | 13 Ų | 13 | 52 Ų | 52 | 13% | 0.134 | 31% | 0.313 | C | S | . | . | trans | -72.4 | 169.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D124 G125 T126 | G122-D124 PolarHBondContact O-N 2.96Å; G122-D124 VanDerWaalsContact O-N 3.12Å; G122-G125 PolarHBondContact O-N 3.01Å; G122-T126 PolarHBondContact N-O 3.34Å | ||
| 123 | P | 87.6 | Confident | 91.2 | Very high | 151 Ų | 151 | 55.1 Ų | 55.1 | 98% | 0.981 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -24.7 | 178.2 | -23.7 | 34 | 0 | 0 | 0 | 114.2 | G125 | P123-G125 VanDerWaalsContact C-N 3.33Š|
| 124 | D | 88.4 | Confident | 90.6 | Very high | 105 Ų | 105 | 62.6 Ų | 62.6 | 56% | 0.561 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | 5.6 | 177.5 | 65.4 | -5.7 | 0 | 0 | 0 | 113.4 | R51 G122 T126 | R51-D124 IonicContact NH1-OD2 2.68Å; G122-D124 PolarHBondContact O-N 2.96Å; G122-D124 VanDerWaalsContact O-N 3.12Å; D124-T126 VanDerWaalsContact C-N 3.26Å; D124-T126 PolarHBondContact O-N 2.92Å; D124-T126 WeakPolarHBondContact OD1-CB 3.46Å; D124-T126 WeakPolarHBondContact OD1-CG2 3.47Å; D124-T126 PolarHBondContact OD1-N 2.7Å; D124-T126 PolarHBondContact OD1-OG1 3.23Å; D124-T126 WeakPolarHBondContact OD2-CG2 3.32Å; D124-T126 PolarHBondContact OD2-OG1 2.88Å; D124-T126 VanDerWaalsContact OD2-OG1 3.06Å |
| 125 | G | 90.8 | Very high | 90.2 | Very high | 55 Ų | 55 | 68.6 Ų | 68.6 | 57% | 0.567 | 39% | 0.388 | S | S | * | . | S | Bend | trans | 78.7 | 2.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | G122 P123 | G122-G125 PolarHBondContact O-N 3.01Å; P123-G125 VanDerWaalsContact C-N 3.33Å |
| 126 | T | 88.5 | Confident | 90 | Very high | 41 Ų | 41 | 67.8 Ų | 67.8 | 25% | 0.252 | 39% | 0.385 | S | S | . | . | trans | -87.8 | 151.4 | -178.5 | 68.2 | 0 | 0 | 0 | 0 | 112.4 | R51 G122 D124 T128 | R51-T126 VanDerWaalsContact CZ-OG1 3.3Å; R51-T126 PolarHBondContact NH1-OG1 2.48Å; R51-T126 PolarHBondContact NH2-OG1 3.17Å; G122-T126 PolarHBondContact N-O 3.34Å; D124-T126 VanDerWaalsContact C-N 3.26Å; D124-T126 PolarHBondContact O-N 2.92Å; D124-T126 WeakPolarHBondContact OD1-CB 3.46Å; D124-T126 WeakPolarHBondContact OD1-CG2 3.47Å; D124-T126 PolarHBondContact OD1-N 2.7Å; D124-T126 PolarHBondContact OD1-OG1 3.23Å; D124-T126 WeakPolarHBondContact OD2-CG2 3.32Å; D124-T126 PolarHBondContact OD2-OG1 2.88Å; D124-T126 VanDerWaalsContact OD2-OG1 3.06Å; T126-T128 PolarHBondContact O-N 3.36Å | ||
| 127 | P | 90.9 | Very high | 89.9 | Confident | 63 Ų | 63 | 71 Ų | 71 | 41% | 0.409 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 134.7 | 174.3 | -24.6 | 34.6 | 0 | 0 | 0 | 112.3 | R51 F83 Q119 | R51-P127 PolarHBondContact NH2-O 2.91Å; F83-P127 HydrophobicContact CE1-CB 4.13Å; F83-P127 HydrophobicContact CE2-CB 4.47Å; F83-P127 HydrophobicContact CZ-CB 3.76Å; Q119-P127 HydrophobicContact CG-CB 4.23Å |
| 128 | T | 90 | Very high | 89.9 | Confident | 24 Ų | 24 | 74.8 Ų | 74.8 | 15% | 0.147 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 170.1 | 176 | -173.2 | 0 | 0 | 0 | 0 | 110.1 | M120 T126 F130 | M120-T128 WeakPolarHBondContact CA-O 3.23Å; M120-T128 HydrophobicContact CB-CG2 3.75Å; M120-T128 PolarHBondContact N-O 2.84Å; M120-T128 PolarHBondContact O-N 3.28Å; T126-T128 PolarHBondContact O-N 3.36Å; T128-F130 WeakPolarHBondContact CG2-O 3.23Å; T128-F130 PolarHBondContact OG1-N 2.94Å |
| 129 | I | 90.7 | Very high | 89.9 | Confident | 5 Ų | 5 | 72.9 Ų | 72.9 | 3% | 0.026 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -103.1 | -2.8 | 171.4 | 61.6 | 172.3 | 0 | 0 | 0 | 112.6 | I82 F83 A117 I136 L226 | I82-I129 HydrophobicContact CB-CG2 4.05Å; I82-I129 HydrophobicContact CD1-CD1 3.93Å; I82-I129 HydrophobicContact CG2-CG2 4.03Å; F83-I129 HydrophobicContact CD1-CG2 3.8Å; A117-I129 HydrophobicContact CB-CB 4.36Å; A117-I129 HydrophobicContact CB-CG2 4.33Å; I129-I136 HydrophobicContact CD1-CD1 3.97Å; I129-I136 HydrophobicContact CD1-CG1 4.38Å; I129-L226 HydrophobicContact CD1-CD2 4.28Å |
| 130 | F | 89.3 | Confident | 89.9 | Confident | 33 Ų | 33 | 74.6 Ų | 74.6 | 15% | 0.145 | 43% | 0.431 | C | S | . | . | B | Isolated β-bridge | trans | -97.4 | 132.9 | -176.4 | -63.7 | -72.1 | 0 | 0 | 0 | 111.6 | M120 T128 K135 I136 L226 I229 | M120-F130 VanDerWaalsContact CB-O 3.26Å; M120-F130 WeakPolarHBondContact CB-O 3.36Å; T128-F130 WeakPolarHBondContact CG2-O 3.23Å; T128-F130 PolarHBondContact OG1-N 2.94Å; F130-K135 CarbonylContact C-O 3.58Å; F130-K135 WeakPolarHBondContact CA-O 3.05Å; F130-I136 HydrophobicContact CD1-CG1 4.01Å; F130-I136 HydrophobicContact CE1-CD1 4.09Å; F130-I136 HydrophobicContact CE1-CG1 3.99Å; F130-L226 HydrophobicContact CE1-CD2 4.28Å; F130-L226 HydrophobicContact CE2-CD2 4.08Å; F130-L226 HydrophobicContact CE2-CG 4.06Å; F130-L226 HydrophobicContact CZ-CD2 3.4Å; F130-L226 HydrophobicContact CZ-CG 3.77Å; F130-I229 HydrophobicContact CE1-CD1 3.83Å; F130-I229 HydrophobicContact CZ-CD1 4.05Å |
| 131 | T | 89.3 | Confident | 90.1 | Very high | 27 Ų | 27 | 74.1 Ų | 74.1 | 17% | 0.166 | 43% | 0.43 | C | S | . | . | trans | -66.6 | 169.3 | 161.8 | 58.5 | 0 | 0 | 0 | 0 | 110.5 | M120 D133 K134 K135 I137 | M120-T131 HydrophobicContact SD-CG2 4.24Å; T131-D133 VanDerWaalsContact CB-OD1 3.23Å; T131-D133 WeakPolarHBondContact CB-OD1 3.28Å; T131-D133 PolarHBondContact O-N 3.43Å; T131-D133 PolarHBondContact OG1-OD1 2.79Å; T131-K134 PolarHBondContact O-N 3.41Å; T131-K135 PolarHBondContact N-O 3.11Å; T131-K135 WeakPolarHBondContact OG1-CA 3.4Å; T131-K135 WeakPolarHBondContact OG1-CB 3.45Å; T131-K135 PolarHBondContact OG1-N 3.24Å; T131-K135 PolarHBondContact OG1-O 3.18Å; T131-I137 HydrophobicContact CG2-CD1 3.73Å; T131-I137 HydrophobicContact CG2-CG1 3.8Å | ||
| 132 | S | 87.5 | Confident | 90.3 | Very high | 133 Ų | 133 | 72 Ų | 72 | 93% | 0.93 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -26.4 | 175.1 | 53.4 | 0 | 0 | 0 | 0 | 113.4 | K134 | S132-K134 VanDerWaalsContact C-N 3.33Š|
| 133 | D | 87.6 | Confident | 90.8 | Very high | 86 Ų | 86 | 73.1 Ų | 73.1 | 46% | 0.46 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | 19.4 | 174 | 69.1 | -26.7 | 0 | 0 | 0 | 113.7 | T131 K135 | T131-D133 VanDerWaalsContact CB-OD1 3.23Å; T131-D133 WeakPolarHBondContact CB-OD1 3.28Å; T131-D133 PolarHBondContact O-N 3.43Å; T131-D133 PolarHBondContact OG1-OD1 2.79Å; D133-K135 VanDerWaalsContact C-N 3.25Å; D133-K135 PolarHBondContact O-N 2.68Å; D133-K135 VanDerWaalsContact OD2-CD 3.22Å; D133-K135 WeakPolarHBondContact OD2-CD 3.39Å; D133-K135 WeakPolarHBondContact OD2-CE 3.42Å; D133-K135 IonicContact OD2-NZ 3.91Å; D133-K135 PolarHBondContact OD2-NZ 2.94Å |
| 134 | K | 84 | Confident | 91.3 | Very high | 160 Ų | 160 | 67.5 Ų | 67.5 | 70% | 0.696 | 38% | 0.377 | S | S | * | . | S | Bend | trans | 60.2 | 26.7 | 176.3 | -58.5 | -173.7 | 175.3 | -172.2 | 0 | 114.8 | T131 S132 | T131-K134 PolarHBondContact O-N 3.41Å; S132-K134 VanDerWaalsContact C-N 3.33Å |
| 135 | K | 86.3 | Confident | 91.7 | Very high | 131 Ų | 131 | 66.9 Ų | 66.9 | 57% | 0.57 | 37% | 0.371 | S | S | * | . | trans | -92.7 | 161.6 | 171.4 | -63.3 | 178.6 | -177.2 | 146.5 | 0 | 110.8 | F130 T131 D133 | F130-K135 CarbonylContact C-O 3.58Å; F130-K135 WeakPolarHBondContact CA-O 3.05Å; T131-K135 PolarHBondContact N-O 3.11Å; T131-K135 WeakPolarHBondContact OG1-CA 3.4Å; T131-K135 WeakPolarHBondContact OG1-CB 3.45Å; T131-K135 PolarHBondContact OG1-N 3.24Å; T131-K135 PolarHBondContact OG1-O 3.18Å; D133-K135 VanDerWaalsContact C-N 3.25Å; D133-K135 PolarHBondContact O-N 2.68Å; D133-K135 VanDerWaalsContact OD2-CD 3.22Å; D133-K135 WeakPolarHBondContact OD2-CD 3.39Å; D133-K135 WeakPolarHBondContact OD2-CE 3.42Å; D133-K135 IonicContact OD2-NZ 3.91Å; D133-K135 PolarHBondContact OD2-NZ 2.94Å | ||
| 136 | I | 88.8 | Confident | 92.1 | Very high | 56 Ų | 56 | 64.2 Ų | 64.2 | 29% | 0.287 | 34% | 0.344 | S | S | . | . | B | Isolated β-bridge | trans | -112.3 | 128.6 | 174.1 | -60.4 | 172.8 | 0 | 0 | 0 | 107.3 | A117 I129 F130 P313 | A117-I136 HydrophobicContact CB-CG2 3.5Å; I129-I136 HydrophobicContact CD1-CD1 3.97Å; I129-I136 HydrophobicContact CD1-CG1 4.38Å; F130-I136 HydrophobicContact CD1-CG1 4.01Å; F130-I136 HydrophobicContact CE1-CD1 4.09Å; F130-I136 HydrophobicContact CE1-CG1 3.99Å; I136-P313 HydrophobicContact CD1-CG 4.35Å |
| 137 | I | 92.7 | Very high | 92.6 | Very high | 76 Ų | 76 | 62.5 Ų | 62.5 | 39% | 0.39 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -96 | 116.7 | 175.5 | -58.7 | 179.5 | 0 | 0 | 0 | 107.8 | A117 K118 M120 T131 | A117-I137 CarbonylContact C-O 3.5Å; A117-I137 VanDerWaalsContact CA-O 3.24Å; A117-I137 WeakPolarHBondContact CA-O 3.36Å; A117-I137 WeakPolarHBondContact CB-O 3.13Å; K118-I137 HydrophobicContact CB-CB 4.27Å; K118-I137 HydrophobicContact CB-CG2 4.28Å; K118-I137 HydrophobicContact CG-CB 4.33Å; K118-I137 HydrophobicContact CG-CG2 3.81Å; K118-I137 PolarHBondContact N-O 3.26Å; M120-I137 HydrophobicContact CE-CB 4.3Å; M120-I137 HydrophobicContact CE-CD1 3.94Å; M120-I137 HydrophobicContact CE-CG1 4.43Å; M120-I137 HydrophobicContact SD-CD1 4.28Å; T131-I137 HydrophobicContact CG2-CD1 3.73Å; T131-I137 HydrophobicContact CG2-CG1 3.8Å |
| 138 | P | 93.6 | Very high | 92.9 | Very high | 82 Ų | 82 | 62.5 Ų | 62.5 | 53% | 0.532 | 33% | 0.33 | S | S | . | . | B | Isolated β-bridge | trans | -61.5 | 146.4 | 178.3 | -19.6 | 31 | 0 | 0 | 0 | 111.9 | ||
| 139 | D | 94.6 | Very high | 93.3 | Very high | 36 Ų | 36 | 61.6 Ų | 61.6 | 19% | 0.193 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -95.3 | 156.3 | 162.5 | -145.3 | -41.3 | 0 | 0 | 0 | 109.7 | P116 K118 | P116-D139 HydrophobicContact CB-CB 3.69Å; P116-D139 HydrophobicContact CG-CB 3.83Å; P116-D139 PolarHBondContact O-N 2.85Å; K118-D139 HydrophobicContact CD-CB 4.41Å; K118-D139 WeakPolarHBondContact CD-OD2 3.31Å; K118-D139 WeakPolarHBondContact CE-OD1 3.2Å; K118-D139 IonicContact NZ-OD1 2.72Å; K118-D139 PolarHBondContact NZ-OD1 3.42Å; K118-D139 IonicContact NZ-OD2 3.47Å; K118-D139 PolarHBondContact NZ-OD2 2.72Å |
| 140 | D | 94.6 | Very high | 93.7 | Very high | 143 Ų | 143 | 61.3 Ų | 61.3 | 77% | 0.765 | 32% | 0.323 | S | S | * | . | trans | -97.6 | 2.9 | -177.9 | 57.3 | -37.7 | 0 | 0 | 0 | 113.4 | K118 D142 | K118-D140 IonicContact NZ-OD1 2.64Å; K118-D140 PolarHBondContact NZ-OD1 2.96Å; D140-D142 PolarHBondContact O-N 3.45Å | ||
| 141 | V | 96.7 | Very high | 94.2 | Very high | 29 Ų | 29 | 60.5 Ų | 60.5 | 18% | 0.176 | 32% | 0.32 | C | S | . | . | trans | -63.6 | 123.6 | 176.3 | -175.4 | 0 | 0 | 0 | 0 | 111.2 | H85 P116 E145 | H85-V141 HydrophobicContact CB-CB 4.1Å; H85-V141 HydrophobicContact CB-CG1 4Å; P116-V141 HydrophobicContact CG-CB 4.48Å; P116-V141 WeakPolarHBondContact CG-O 3.23Å; V141-E145 HydrophobicContact CG1-CB 4.46Å | ||
| 142 | D | 97.1 | Very high | 94.6 | Very high | 64 Ų | 64 | 61.7 Ų | 61.7 | 34% | 0.342 | 33% | 0.325 | S | S | . | . | trans | -72 | 132.6 | 175.3 | -165.2 | -42.6 | 0 | 0 | 0 | 110.9 | D140 L144 E145 T146 R174 | D140-D142 PolarHBondContact O-N 3.45Å; D142-L144 PolarHBondContact O-N 3.18Å; D142-L144 PolarHBondContact OD1-N 3.04Å; D142-E145 WeakPolarHBondContact O-CB 3.41Å; D142-E145 PolarHBondContact O-N 2.86Å; D142-T146 PolarHBondContact O-N 2.96Å; D142-R174 VanDerWaalsContact CG-NH1 3.31Å; D142-R174 IonicContact OD1-CZ 3.59Å; D142-R174 IonicContact OD1-NH1 3.08Å; D142-R174 PolarHBondContact OD1-NH1 2.7Å; D142-R174 IonicContact OD1-NH2 3.6Å; D142-R174 IonicContact OD2-CZ 3.32Å; D142-R174 VanDerWaalsContact OD2-CZ 3.32Å; D142-R174 IonicContact OD2-NH1 2.89Å; D142-R174 PolarHBondContact OD2-NH1 2.88Å; D142-R174 VanDerWaalsContact OD2-NH1 3.08Å; D142-R174 IonicContact OD2-NH2 2.65Å; D142-R174 PolarHBondContact OD2-NH2 2.94Å | ||
| 143 | Y | 97.5 | Very high | 95.1 | Very high | 35 Ų | 35 | 55.5 Ų | 55.5 | 14% | 0.137 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.7 | -14.5 | 176.4 | 58.3 | -104 | 0 | 0 | 0 | 114 | W147 F167 Q171 R174 I175 | Y143-W147 WeakPolarHBondContact O-CB 3.24Å; Y143-W147 PolarHBondContact O-N 2.85Å; Y143-F167 AromaticContact CD2-CE1 3.92Å; Y143-F167 HydrophobicContact CD2-CE1 3.92Å; Y143-F167 HydrophobicContact CE2-CE1 4.36Å; Y143-F167 HydrophobicContact CG-CE1 4.03Å; Y143-F167 HydrophobicContact CG-CZ 4.37Å; Y143-Q171 HydrophobicContact CE1-CG 4.23Å; Y143-Q171 HydrophobicContact CE2-CB 4.48Å; Y143-R174 HydrophobicContact CE2-CB 4.45Å; Y143-R174 VanDerWaalsContact OH-CD 3.3Å; Y143-R174 WeakPolarHBondContact OH-CD 3.32Å; Y143-I175 HydrophobicContact CD2-CD1 4.36Å; Y143-I175 HydrophobicContact CD2-CG1 4.14Å; Y143-I175 HydrophobicContact CE2-CG1 4.21Å |
| 144 | L | 98.1 | Very high | 95.7 | Very high | 34 Ų | 34 | 53.1 Ų | 53.1 | 18% | 0.178 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -71.1 | -36.2 | 168.9 | -66.8 | -172.8 | 0 | 0 | 0 | 112.8 | D142 T146 W147 N148 R174 I175 N178 | D142-L144 PolarHBondContact O-N 3.18Å; D142-L144 PolarHBondContact OD1-N 3.04Å; L144-T146 VanDerWaalsContact C-N 3.34Å; L144-W147 PolarHBondContact O-N 3.25Å; L144-N148 PolarHBondContact O-N 2.91Å; L144-R174 HydrophobicContact CD1-CG 4.19Å; L144-R174 VanDerWaalsContact CD1-CZ 3.41Å; L144-R174 HydrophobicContact CD2-CG 4.38Å; L144-I175 HydrophobicContact CD2-CG1 3.99Å; L144-N178 HydrophobicContact CD1-CB 4.07Å; L144-N178 HydrophobicContact CD2-CB 4.21Å |
| 145 | E | 97.8 | Very high | 96.3 | Very high | 91 Ų | 91 | 53.3 Ų | 53.3 | 43% | 0.425 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64 | -45.8 | 171.3 | -175.2 | -170.3 | 138.2 | 0 | 0 | 109.6 | K87 V141 D142 W147 N148 A149 | K87-E145 HydrophobicContact CB-CG 4.39Å; K87-E145 PolarHBondContact N-OE1 2.79Å; V141-E145 HydrophobicContact CG1-CB 4.46Å; D142-E145 WeakPolarHBondContact O-CB 3.41Å; D142-E145 PolarHBondContact O-N 2.86Å; E145-W147 VanDerWaalsContact C-N 3.31Å; E145-W147 PolarHBondContact O-N 2.94Å; E145-N148 PolarHBondContact O-N 2.9Å; E145-A149 PolarHBondContact O-N 2.73Å; E145-A149 VanDerWaalsContact O-N 3.09Å |
| 146 | T | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.3 | -43.5 | 174.3 | -47.9 | 0 | 0 | 0 | 0 | 111.2 | L80 H85 V90 I111 D142 L144 A149 L150 | L80-T146 HydrophobicContact CD2-CG2 3.35Å; H85-T146 HydrophobicContact CB-CG2 4.41Å; H85-T146 WeakPolarHBondContact CB-OG1 3.49Å; H85-T146 PolarHBondContact ND1-OG1 2.75Å; H85-T146 PolarHBondContact O-OG1 3.06Å; V90-T146 HydrophobicContact CG2-CG2 3.78Å; I111-T146 HydrophobicContact CD1-CG2 3.75Å; I111-T146 HydrophobicContact CG1-CG2 4.1Å; D142-T146 PolarHBondContact O-N 2.96Å; L144-T146 VanDerWaalsContact C-N 3.34Å; T146-A149 WeakPolarHBondContact O-CB 3.35Å; T146-A149 PolarHBondContact O-N 2.73Å; T146-L150 HydrophobicContact CG2-CD1 4.05Å; T146-L150 WeakPolarHBondContact O-CD1 3.48Å; T146-L150 PolarHBondContact O-N 3.03Å |
| 147 | W | 98.8 | Very high | 97.3 | Very high | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.015 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.7 | -45.4 | 178.8 | -171.9 | -98.3 | 0 | 0 | 0 | 112.1 | I111 Y143 L144 E145 A149 L150 E151 I162 V164 I175 C179 V181 P183 | I111-W147 HydrophobicContact CD1-CE3 3.88Å; Y143-W147 WeakPolarHBondContact O-CB 3.24Å; Y143-W147 PolarHBondContact O-N 2.85Å; L144-W147 PolarHBondContact O-N 3.25Å; E145-W147 VanDerWaalsContact C-N 3.31Å; E145-W147 PolarHBondContact O-N 2.94Å; W147-A149 PolarHBondContact O-N 2.89Å; W147-L150 HydrophobicContact CE3-CD2 4.39Å; W147-L150 HydrophobicContact CZ3-CD2 4.14Å; W147-L150 WeakPolarHBondContact O-CA 3.32Å; W147-L150 WeakPolarHBondContact O-CB 3.44Å; W147-L150 PolarHBondContact O-N 3.03Å; W147-E151 PolarHBondContact NE1-OE1 2.95Å; W147-E151 PolarHBondContact O-N 2.8Å; W147-I162 HydrophobicContact CH2-CB 4.16Å; W147-I162 HydrophobicContact CH2-CD1 3.92Å; W147-I162 HydrophobicContact CH2-CG1 3.79Å; W147-I162 HydrophobicContact CZ2-CD1 3.64Å; W147-I162 HydrophobicContact CZ2-CG1 3.92Å; W147-V164 HydrophobicContact CE3-CG1 4.02Å; W147-V164 HydrophobicContact CZ3-CG1 3.66Å; W147-I175 HydrophobicContact CD2-CD1 4.25Å; W147-I175 HydrophobicContact CD2-CG2 3.6Å; W147-I175 HydrophobicContact CE3-CD1 4.03Å; W147-I175 HydrophobicContact CE3-CG2 4.28Å; W147-I175 HydrophobicContact CG-CG1 4.44Å; W147-I175 HydrophobicContact CG-CG2 3.77Å; W147-I175 HydrophobicContact CZ2-CG2 4.15Å; W147-C179 VanDerWaalsContact NE1-CB 3.33Å; W147-V181 VanDerWaalsContact CZ2-O 3.26Å; W147-V181 WeakPolarHBondContact CZ2-O 3.01Å; W147-V181 PolarHBondContact NE1-O 2.9Å; W147-P183 HydrophobicContact CH2-CB 3.74Å; W147-P183 HydrophobicContact CH2-CG 3.62Å; W147-P183 HydrophobicContact CZ2-CB 4.22Å; W147-P183 HydrophobicContact CZ2-CG 3.76Å; W147-P183 HydrophobicContact CZ3-CB 4.44Å; W147-P183 HydrophobicContact CZ3-CG 4.19Å |
| 148 | N | 98.4 | Very high | 97.6 | Very high | 64 Ų | 64 | 49.7 Ų | 49.7 | 34% | 0.342 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.1 | -39 | 175.4 | 177.6 | -109.5 | 0 | 0 | 0 | 111.7 | K87 L144 E145 L150 E151 D152 | K87-N148 PolarHBondContact NZ-OD1 2.75Å; L144-N148 PolarHBondContact O-N 2.91Å; E145-N148 PolarHBondContact O-N 2.9Å; N148-L150 VanDerWaalsContact C-N 3.33Å; N148-L150 PolarHBondContact O-N 2.9Å; N148-E151 WeakPolarHBondContact O-CB 3.34Å; N148-E151 PolarHBondContact O-N 3Å; N148-D152 PolarHBondContact O-N 3.35Å; N148-D152 VanDerWaalsContact O-N 3.12Å |
| 149 | A | 98.6 | Very high | 97.8 | Very high | 4 Ų | 4 | 46 Ų | 46 | 3% | 0.033 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.1 | -34.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K87 V90 E145 T146 W147 D152 L153 | K87-A149 HydrophobicContact CB-CB 4.35Å; K87-A149 HydrophobicContact CG-CB 3.98Å; V90-A149 HydrophobicContact CB-CB 3.82Å; V90-A149 HydrophobicContact CG1-CB 3.71Å; V90-A149 HydrophobicContact CG2-CB 4Å; E145-A149 PolarHBondContact O-N 2.73Å; E145-A149 VanDerWaalsContact O-N 3.09Å; T146-A149 WeakPolarHBondContact O-CB 3.35Å; T146-A149 PolarHBondContact O-N 2.73Å; W147-A149 PolarHBondContact O-N 2.89Å; A149-D152 PolarHBondContact O-N 3.19Å; A149-L153 WeakPolarHBondContact O-CG 3.45Å; A149-L153 PolarHBondContact O-N 2.91Å |
| 150 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66 | -38.2 | 172.9 | -90.1 | 77.4 | 0 | 0 | 0 | 112.1 | V90 F109 I111 T146 W147 N148 D152 L153 L154 I162 | V90-L150 HydrophobicContact CG1-CD1 3.83Å; F109-L150 HydrophobicContact CD1-CD2 4.16Å; F109-L150 HydrophobicContact CD1-CG 3.96Å; F109-L150 HydrophobicContact CE1-CD1 4.34Å; F109-L150 HydrophobicContact CE1-CG 4.22Å; I111-L150 HydrophobicContact CD1-CD1 4.2Å; I111-L150 HydrophobicContact CD1-CD2 4.4Å; I111-L150 HydrophobicContact CG1-CD1 3.8Å; I111-L150 HydrophobicContact CG1-CD2 3.67Å; I111-L150 HydrophobicContact CG1-CG 4.42Å; T146-L150 HydrophobicContact CG2-CD1 4.05Å; T146-L150 WeakPolarHBondContact O-CD1 3.48Å; T146-L150 PolarHBondContact O-N 3.03Å; W147-L150 HydrophobicContact CE3-CD2 4.39Å; W147-L150 HydrophobicContact CZ3-CD2 4.14Å; W147-L150 WeakPolarHBondContact O-CA 3.32Å; W147-L150 WeakPolarHBondContact O-CB 3.44Å; W147-L150 PolarHBondContact O-N 3.03Å; N148-L150 VanDerWaalsContact C-N 3.33Å; N148-L150 PolarHBondContact O-N 2.9Å; L150-D152 VanDerWaalsContact C-N 3.33Å; L150-L153 PolarHBondContact O-N 2.89Å; L150-L153 VanDerWaalsContact O-N 3.17Å; L150-L154 PolarHBondContact O-N 2.81Å; L150-I162 HydrophobicContact CB-CB 4.28Å; L150-I162 HydrophobicContact CB-CD1 4.14Å; L150-I162 HydrophobicContact CB-CG2 4.02Å; L150-I162 HydrophobicContact CD2-CB 4.1Å; L150-I162 HydrophobicContact CD2-CG2 4.24Å; L150-I162 HydrophobicContact CG-CG2 4.4Å |
| 151 | E | 98.7 | Very high | 98.2 | Very high | 16 Ų | 16 | 42.8 Ų | 42.8 | 8% | 0.075 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.2 | -44 | 174.9 | -65.3 | 178 | 143.7 | 0 | 0 | 111 | W147 N148 L153 L154 E155 I162 C179 S180 V181 | W147-E151 PolarHBondContact NE1-OE1 2.95Å; W147-E151 PolarHBondContact O-N 2.8Å; N148-E151 WeakPolarHBondContact O-CB 3.34Å; N148-E151 PolarHBondContact O-N 3Å; E151-L153 VanDerWaalsContact C-N 3.3Å; E151-L153 PolarHBondContact O-N 3.25Å; E151-L154 WeakPolarHBondContact O-CB 3.43Å; E151-L154 PolarHBondContact O-N 2.86Å; E151-E155 PolarHBondContact O-N 3.41Å; E151-I162 HydrophobicContact CG-CD1 3.9Å; E151-C179 WeakPolarHBondContact OE1-CA 3.46Å; E151-C179 WeakPolarHBondContact OE1-CB 3.33Å; E151-S180 WeakPolarHBondContact OE1-CA 3.49Å; E151-S180 PolarHBondContact OE1-N 3.46Å; E151-V181 HydrophobicContact CG-CB 4.43Å; E151-V181 PolarHBondContact OE1-N 2.85Å |
| 152 | D | 98.4 | Very high | 98.3 | Very high | 51 Ų | 51 | 41.4 Ų | 41.4 | 27% | 0.273 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.4 | -41.1 | 173.9 | -65.7 | -18.4 | 0 | 0 | 0 | 111.2 | K87 N148 A149 L150 L154 E155 N156 | K87-D152 WeakPolarHBondContact CE-OD2 3.28Å; K87-D152 IonicContact NZ-OD2 2.79Å; K87-D152 PolarHBondContact NZ-OD2 2.82Å; N148-D152 PolarHBondContact O-N 3.35Å; N148-D152 VanDerWaalsContact O-N 3.12Å; A149-D152 PolarHBondContact O-N 3.19Å; L150-D152 VanDerWaalsContact C-N 3.33Å; D152-L154 PolarHBondContact O-N 3.31Å; D152-E155 PolarHBondContact O-N 3.16Å; D152-N156 WeakPolarHBondContact O-CB 3.31Å; D152-N156 PolarHBondContact O-N 2.87Å; D152-N156 PolarHBondContact O-ND2 3.46Å |
| 153 | L | 98.6 | Very high | 98.4 | Very high | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.3 | -34.6 | 178.6 | -63 | 177.5 | 0 | 0 | 0 | 113.3 | V90 K91 L94 F109 A149 L150 E151 G157 L158 | V90-L153 HydrophobicContact CG1-CD1 3.57Å; V90-L153 HydrophobicContact CG1-CG 4.43Å; K91-L153 HydrophobicContact CB-CD2 3.95Å; K91-L153 HydrophobicContact CG-CD2 3.89Å; L94-L153 HydrophobicContact CB-CD1 4.09Å; L94-L153 HydrophobicContact CD2-CB 4.27Å; L94-L153 HydrophobicContact CD2-CD1 3.76Å; L94-L153 HydrophobicContact CD2-CG 4.41Å; F109-L153 HydrophobicContact CD1-CD1 4.01Å; F109-L153 HydrophobicContact CE1-CD1 3.82Å; A149-L153 WeakPolarHBondContact O-CG 3.45Å; A149-L153 PolarHBondContact O-N 2.91Å; L150-L153 PolarHBondContact O-N 2.89Å; L150-L153 VanDerWaalsContact O-N 3.17Å; E151-L153 VanDerWaalsContact C-N 3.3Å; E151-L153 PolarHBondContact O-N 3.25Å; L153-G157 PolarHBondContact O-N 3.36Å; L153-L158 HydrophobicContact CD2-CD1 3.63Å; L153-L158 PolarHBondContact O-N 3.01Å; L153-L158 VanDerWaalsContact O-N 3.1Å |
| 154 | L | 98.6 | Very high | 98.5 | Very high | 35 Ų | 35 | 36.7 Ų | 36.7 | 18% | 0.183 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66 | -47.7 | 174.9 | 179.1 | 67.2 | 0 | 0 | 0 | 110.7 | L150 E151 D152 N156 G157 T159 R160 I162 V181 | L150-L154 PolarHBondContact O-N 2.81Å; E151-L154 WeakPolarHBondContact O-CB 3.43Å; E151-L154 PolarHBondContact O-N 2.86Å; D152-L154 PolarHBondContact O-N 3.31Å; L154-N156 VanDerWaalsContact C-N 3.29Å; L154-N156 PolarHBondContact O-N 2.86Å; L154-G157 PolarHBondContact O-N 2.81Å; L154-G157 VanDerWaalsContact O-N 3.1Å; L154-T159 HydrophobicContact CB-CG2 4.44Å; L154-T159 HydrophobicContact CD1-CG2 4.45Å; L154-T159 WeakPolarHBondContact CD1-O 3.32Å; L154-R160 VanDerWaalsContact CD1-C 3.47Å; L154-R160 WeakPolarHBondContact CD1-O 3.37Å; L154-I162 HydrophobicContact CB-CD1 4.46Å; L154-I162 HydrophobicContact CB-CG2 4.13Å; L154-I162 HydrophobicContact CD2-CD1 4.17Å; L154-I162 HydrophobicContact CD2-CG1 4.19Å; L154-V181 HydrophobicContact CD2-CB 4.38Å; L154-V181 HydrophobicContact CD2-CG1 3.84Å; L154-V181 HydrophobicContact CD2-CG2 4.2Å |
| 155 | E | 98.2 | Very high | 98.5 | Very high | 164 Ų | 164 | 35.1 Ų | 35.1 | 77% | 0.766 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -61.4 | -38.5 | 178.4 | -173.6 | 178.2 | -168.6 | 0 | 0 | 111.9 | E151 D152 G157 | E151-E155 PolarHBondContact O-N 3.41Å; D152-E155 PolarHBondContact O-N 3.16Å; E155-G157 PolarHBondContact O-N 2.86Å |
| 156 | N | 97.7 | Very high | 98.5 | Very high | 111 Ų | 111 | 31.7 Ų | 31.7 | 59% | 0.594 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | 4 | 177.9 | -75 | -86.9 | 0 | 0 | 0 | 114 | D152 L154 L158 | D152-N156 WeakPolarHBondContact O-CB 3.31Å; D152-N156 PolarHBondContact O-N 2.87Å; D152-N156 PolarHBondContact O-ND2 3.46Å; L154-N156 VanDerWaalsContact C-N 3.29Å; L154-N156 PolarHBondContact O-N 2.86Å; N156-L158 VanDerWaalsContact C-N 3.26Å; N156-L158 PolarHBondContact O-N 3.01Å |
| 157 | G | 97.9 | Very high | 98.5 | Very high | 44 Ų | 44 | 31.8 Ų | 31.8 | 45% | 0.454 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 11.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | F105 L153 L154 E155 T159 | F105-G157 WeakPolarHBondContact CB-O 3.01Å; L153-G157 PolarHBondContact O-N 3.36Å; L154-G157 PolarHBondContact O-N 2.81Å; L154-G157 VanDerWaalsContact O-N 3.1Å; E155-G157 PolarHBondContact O-N 2.86Å; G157-T159 PolarHBondContact O-N 2.91Å |
| 158 | L | 98.3 | Very high | 98.4 | Very high | 33 Ų | 33 | 35 Ų | 35 | 17% | 0.173 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -73.5 | -19.2 | 175.7 | -66.7 | 174.1 | 0 | 0 | 0 | 112 | L94 L98 F105 V106 L153 N156 | L94-L158 HydrophobicContact CD2-CB 3.72Å; L98-L158 HydrophobicContact CD1-CB 4.4Å; L98-L158 HydrophobicContact CD1-CD2 3.85Å; F105-L158 WeakPolarHBondContact CA-O 3.34Å; V106-L158 PolarHBondContact N-O 3.42Å; L153-L158 HydrophobicContact CD2-CD1 3.63Å; L153-L158 PolarHBondContact O-N 3.01Å; L153-L158 VanDerWaalsContact O-N 3.1Å; N156-L158 VanDerWaalsContact C-N 3.26Å; N156-L158 PolarHBondContact O-N 3.01Å |
| 159 | T | 98.9 | Very high | 98.4 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.018 | 18% | 0.178 | C | C | . | . | B | Isolated β-bridge | trans | -141.3 | 152.8 | 167.4 | -173 | 0 | 0 | 0 | 0 | 111.3 | V106 F109 L154 G157 S161 I162 | V106-T159 CarbonylContact O-C 3.6Å; V106-T159 WeakPolarHBondContact O-CA 3.08Å; V106-T159 PolarHBondContact O-OG1 3.27Å; F109-T159 HydrophobicContact CB-CG2 4.1Å; F109-T159 PolarHBondContact N-OG1 3.09Å; L154-T159 HydrophobicContact CB-CG2 4.44Å; L154-T159 HydrophobicContact CD1-CG2 4.45Å; L154-T159 WeakPolarHBondContact CD1-O 3.32Å; G157-T159 PolarHBondContact O-N 2.91Å; T159-S161 PolarHBondContact OG1-N 3.07Å; T159-S161 PolarHBondContact OG1-O 3.12Å; T159-I162 HydrophobicContact CG2-CG2 3.57Å |
| 160 | R | 98.7 | Very high | 98.4 | Very high | 113 Ų | 113 | 41.7 Ų | 41.7 | 43% | 0.426 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -87 | -21.4 | 175.5 | -65.2 | 179.8 | 64.1 | -153.3 | 5.5 | 113.6 | N10 V12 F105 V106 D107 L154 | N10-R160 PolarHBondContact ND2-O 3.48Å; V12-R160 HydrophobicContact CG2-CB 4.36Å; F105-R160 HydrophobicContact CD2-CG 3.77Å; F105-R160 HydrophobicContact CE2-CG 3.86Å; V106-R160 PolarHBondContact O-N 3.13Å; D107-R160 WeakPolarHBondContact OD1-CD 3.42Å; D107-R160 IonicContact OD1-NH1 2.75Å; D107-R160 PolarHBondContact OD1-NH1 3Å; L154-R160 VanDerWaalsContact CD1-C 3.47Å; L154-R160 WeakPolarHBondContact CD1-O 3.37Å |
| 161 | S | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -151.7 | 148.3 | -179.2 | -55.7 | 0 | 0 | 0 | 0 | 110 | L8 N10 D107 L108 F109 T159 | L8-S161 WeakPolarHBondContact CD1-OG 3.4Å; N10-S161 PolarHBondContact ND2-OG 3.49Å; D107-S161 VanDerWaalsContact O-CB 3.3Å; D107-S161 WeakPolarHBondContact O-CB 3.02Å; D107-S161 PolarHBondContact O-N 3.16Å; D107-S161 VanDerWaalsContact O-N 3.09Å; D107-S161 PolarHBondContact O-OG 2.94Å; L108-S161 CarbonylContact C-O 3.49Å; L108-S161 VanDerWaalsContact CA-O 3.3Å; L108-S161 WeakPolarHBondContact CA-O 3.35Å; F109-S161 PolarHBondContact N-O 3.2Å; T159-S161 PolarHBondContact OG1-N 3.07Å; T159-S161 PolarHBondContact OG1-O 3.12Å | ||
| 162 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 148.8 | 176.3 | 56.7 | 177.2 | 0 | 0 | 0 | 111.3 | F109 W147 L150 E151 L154 T159 V181 H184 | F109-I162 CarbonylContact O-C 3.55Å; F109-I162 WeakPolarHBondContact O-CA 3.23Å; W147-I162 HydrophobicContact CH2-CB 4.16Å; W147-I162 HydrophobicContact CH2-CD1 3.92Å; W147-I162 HydrophobicContact CH2-CG1 3.79Å; W147-I162 HydrophobicContact CZ2-CD1 3.64Å; W147-I162 HydrophobicContact CZ2-CG1 3.92Å; L150-I162 HydrophobicContact CB-CB 4.28Å; L150-I162 HydrophobicContact CB-CD1 4.14Å; L150-I162 HydrophobicContact CB-CG2 4.02Å; L150-I162 HydrophobicContact CD2-CB 4.1Å; L150-I162 HydrophobicContact CD2-CG2 4.24Å; L150-I162 HydrophobicContact CG-CG2 4.4Å; E151-I162 HydrophobicContact CG-CD1 3.9Å; L154-I162 HydrophobicContact CB-CD1 4.46Å; L154-I162 HydrophobicContact CB-CG2 4.13Å; L154-I162 HydrophobicContact CD2-CD1 4.17Å; L154-I162 HydrophobicContact CD2-CG1 4.19Å; T159-I162 HydrophobicContact CG2-CG2 3.57Å; I162-V181 HydrophobicContact CD1-CB 4.48Å; I162-V181 HydrophobicContact CD1-CG1 4.48Å; I162-H184 PolarHBondContact N-ND1 2.84Å; I162-H184 VanDerWaalsContact N-ND1 3.11Å; I162-H184 WeakPolarHBondContact O-CB 3.35Å; I162-H184 PolarHBondContact O-N 2.79Å; I162-H184 PolarHBondContact O-ND1 2.96Å |
| 163 | G | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | -169.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | F109 L110 I111 N185 | F109-G163 PolarHBondContact O-N 3.41Å; L110-G163 WeakPolarHBondContact CA-O 3.37Å; L110-G163 VanDerWaalsContact CD2-C 3.44Å; L110-G163 VanDerWaalsContact CD2-CA 3.49Å; I111-G163 PolarHBondContact N-O 3.5Å; G163-N185 VanDerWaalsContact CA-O 3.28Å; G163-N185 WeakPolarHBondContact CA-O 3.48Å |
| 164 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 155.4 | -176.5 | -69.9 | 0 | 0 | 0 | 0 | 111.2 | I111 W147 F167 I172 I175 P183 N185 L186 Q187 | I111-V164 HydrophobicContact CB-CG1 4.39Å; I111-V164 HydrophobicContact CD1-CG1 4.41Å; I111-V164 CarbonylContact O-C 3.54Å; W147-V164 HydrophobicContact CE3-CG1 4.02Å; W147-V164 HydrophobicContact CZ3-CG1 3.66Å; V164-F167 HydrophobicContact CB-CB 4.29Å; V164-F167 HydrophobicContact CB-CD1 4.27Å; V164-F167 HydrophobicContact CB-CD2 3.58Å; V164-F167 HydrophobicContact CB-CE2 3.87Å; V164-F167 HydrophobicContact CB-CG 3.8Å; V164-F167 HydrophobicContact CB-CZ 4.37Å; V164-F167 HydrophobicContact CG1-CD1 4.13Å; V164-F167 HydrophobicContact CG1-CD2 4.05Å; V164-F167 HydrophobicContact CG1-CE1 4.05Å; V164-F167 HydrophobicContact CG1-CE2 3.91Å; V164-F167 HydrophobicContact CG1-CG 4.16Å; V164-F167 HydrophobicContact CG1-CZ 3.92Å; V164-F167 HydrophobicContact CG2-CB 4.09Å; V164-F167 HydrophobicContact CG2-CD2 4.32Å; V164-F167 HydrophobicContact CG2-CG 4.09Å; V164-I172 HydrophobicContact CG2-CG1 4.29Å; V164-I175 HydrophobicContact CG1-CD1 3.75Å; V164-P183 HydrophobicContact CG2-CB 4.36Å; V164-N185 PolarHBondContact N-O 2.6Å; V164-L186 HydrophobicContact CG2-CD1 3.75Å; V164-L186 CarbonylContact O-C 3.56Å; V164-L186 WeakPolarHBondContact O-CA 3.36Å; V164-Q187 PolarHBondContact O-N 2.94Å |
| 165 | S | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.007 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 138.2 | 175.2 | -177.4 | 0 | 0 | 0 | 0 | 110.3 | I111 H112 F167 Q187 | I111-S165 WeakPolarHBondContact O-CA 3.26Å; I111-S165 WeakPolarHBondContact O-CB 3.39Å; I111-S165 PolarHBondContact O-N 3.29Å; H112-S165 CarbonylContact C-O 3.55Å; H112-S165 CarbonylContact O-C 3.46Å; H112-S165 WeakPolarHBondContact O-CB 3.38Å; H112-S165 VanDerWaalsContact O-O 3.1Å; S165-F167 VanDerWaalsContact C-N 3.27Å; S165-F167 VanDerWaalsContact O-CD2 3.26Å; S165-F167 WeakPolarHBondContact O-CD2 3.13Å; S165-F167 PolarHBondContact O-N 3.06Å; S165-Q187 CarbonylContact C-O 3.45Å; S165-Q187 WeakPolarHBondContact CA-O 3.33Å; S165-Q187 PolarHBondContact OG-O 3.46Å |
| 166 | N | 97.4 | Very high | 98.5 | Very high | 18 Ų | 18 | 38.9 Ų | 38.9 | 10% | 0.096 | 19% | 0.194 | C | C | . | . | S | Bend | trans | 64.5 | 21.8 | -177.5 | -53.9 | -62.1 | 0 | 0 | 0 | 115.8 | H112 P114 Q187 F213 F312 W314 | H112-N166 PolarHBondContact O-ND2 2.98Å; P114-N166 WeakPolarHBondContact CD-O 3.14Å; N166-Q187 PolarHBondContact N-O 2.81Å; N166-F213 VanDerWaalsContact OD1-CE1 3.23Å; N166-F213 WeakPolarHBondContact OD1-CE1 3.42Å; N166-F213 VanDerWaalsContact OD1-CZ 3.32Å; N166-F213 WeakPolarHBondContact OD1-CZ 3.48Å; N166-F312 HydrophobicContact CB-CE2 4.42Å; N166-F312 VanDerWaalsContact OD1-CE2 3.31Å; N166-F312 WeakPolarHBondContact OD1-CE2 3.39Å; N166-W314 HydrophobicContact CB-CH2 4.29Å; N166-W314 HydrophobicContact CB-CZ2 4.46Å |
| 167 | F | 97.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 1% | 0.013 | 19% | 0.194 | C | C | . | . | trans | -87.2 | 145.8 | 175.2 | -79.7 | -125.3 | 0 | 0 | 0 | 111.6 | I111 P114 Y143 V164 S165 Q171 I172 I175 L186 | I111-F167 HydrophobicContact CB-CE2 4.09Å; I111-F167 HydrophobicContact CB-CZ 4.3Å; I111-F167 HydrophobicContact CD1-CZ 4.31Å; I111-F167 HydrophobicContact CG2-CE2 3.87Å; I111-F167 HydrophobicContact CG2-CZ 4Å; P114-F167 VanDerWaalsContact CA-CE2 3.4Å; P114-F167 VanDerWaalsContact CA-CZ 3.45Å; P114-F167 HydrophobicContact CB-CD1 4.08Å; P114-F167 HydrophobicContact CB-CD2 3.8Å; P114-F167 HydrophobicContact CB-CE1 3.81Å; P114-F167 HydrophobicContact CB-CE2 3.58Å; P114-F167 HydrophobicContact CB-CG 4.07Å; P114-F167 HydrophobicContact CB-CZ 3.57Å; P114-F167 HydrophobicContact CG-CD2 4.07Å; P114-F167 HydrophobicContact CG-CE2 4.21Å; P114-F167 HydrophobicContact CG-CG 4.43Å; P114-F167 VanDerWaalsContact N-CE2 3.31Å; Y143-F167 AromaticContact CD2-CE1 3.92Å; Y143-F167 HydrophobicContact CD2-CE1 3.92Å; Y143-F167 HydrophobicContact CE2-CE1 4.36Å; Y143-F167 HydrophobicContact CG-CE1 4.03Å; Y143-F167 HydrophobicContact CG-CZ 4.37Å; V164-F167 HydrophobicContact CB-CB 4.29Å; V164-F167 HydrophobicContact CB-CD1 4.27Å; V164-F167 HydrophobicContact CB-CD2 3.58Å; V164-F167 HydrophobicContact CB-CE2 3.87Å; V164-F167 HydrophobicContact CB-CG 3.8Å; V164-F167 HydrophobicContact CB-CZ 4.37Å; V164-F167 HydrophobicContact CG1-CD1 4.13Å; V164-F167 HydrophobicContact CG1-CD2 4.05Å; V164-F167 HydrophobicContact CG1-CE1 4.05Å; V164-F167 HydrophobicContact CG1-CE2 3.91Å; V164-F167 HydrophobicContact CG1-CG 4.16Å; V164-F167 HydrophobicContact CG1-CZ 3.92Å; V164-F167 HydrophobicContact CG2-CB 4.09Å; V164-F167 HydrophobicContact CG2-CD2 4.32Å; V164-F167 HydrophobicContact CG2-CG 4.09Å; S165-F167 VanDerWaalsContact C-N 3.27Å; S165-F167 VanDerWaalsContact O-CD2 3.26Å; S165-F167 WeakPolarHBondContact O-CD2 3.13Å; S165-F167 PolarHBondContact O-N 3.06Å; F167-Q171 HydrophobicContact CB-CB 4.38Å; F167-Q171 HydrophobicContact CD1-CB 3.56Å; F167-Q171 HydrophobicContact CE1-CB 4.26Å; F167-Q171 HydrophobicContact CG-CB 4.31Å; F167-I172 HydrophobicContact CB-CD1 4.17Å; F167-I172 HydrophobicContact CB-CG1 3.68Å; F167-I175 HydrophobicContact CD1-CD1 3.95Å; F167-I175 HydrophobicContact CE1-CD1 3.59Å; F167-I175 HydrophobicContact CZ-CD1 4.42Å; F167-L186 HydrophobicContact CB-CD1 4.23Å | ||
| 168 | N | 97.5 | Very high | 98.5 | Very high | 71 Ų | 71 | 41.9 Ų | 41.9 | 38% | 0.38 | 20% | 0.2 | S | C | . | . | trans | -92.7 | 173.5 | 171.5 | 71.2 | 38.5 | 0 | 0 | 0 | 112.2 | Q170 Q171 I172 | N168-Q170 VanDerWaalsContact C-N 3.34Å; N168-Q170 PolarHBondContact O-N 3.44Å; N168-Q170 WeakPolarHBondContact OD1-CB 3.25Å; N168-Q170 PolarHBondContact OD1-N 3.14Å; N168-Q171 PolarHBondContact ND2-OE1 3.48Å; N168-Q171 PolarHBondContact O-N 3.14Å; N168-Q171 WeakPolarHBondContact OD1-CG 3.41Å; N168-Q171 PolarHBondContact OD1-N 3.21Å; N168-I172 VanDerWaalsContact O-CG1 3.28Å; N168-I172 WeakPolarHBondContact O-CG1 3.27Å; N168-I172 PolarHBondContact O-N 3.36Å | ||
| 169 | I | 98.6 | Very high | 98.6 | Very high | 46 Ų | 46 | 41.5 Ų | 41.5 | 24% | 0.236 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -55.8 | -46.1 | -178.8 | -65.6 | 178.4 | 0 | 0 | 0 | 111.9 | Q171 I172 Q173 E198 L199 F202 | I169-Q171 VanDerWaalsContact C-N 3.34Å; I169-Q171 PolarHBondContact O-N 3.25Å; I169-I172 PolarHBondContact O-N 3.43Å; I169-Q173 VanDerWaalsContact O-CB 3.29Å; I169-Q173 WeakPolarHBondContact O-CB 3.27Å; I169-Q173 PolarHBondContact O-N 2.94Å; I169-E198 HydrophobicContact CD1-CG 3.85Å; I169-L199 HydrophobicContact CG1-CD1 3.64Å; I169-F202 HydrophobicContact CD1-CB 4.06Å; I169-F202 HydrophobicContact CD1-CG 4.39Å; I169-F202 HydrophobicContact CG1-CB 4.14Å; I169-F202 HydrophobicContact CG1-CD1 4.29Å; I169-F202 HydrophobicContact CG1-CG 4.09Å; I169-F202 HydrophobicContact CG2-CD1 4.33Å; I169-F202 HydrophobicContact CG2-CD2 3.69Å; I169-F202 HydrophobicContact CG2-CE1 4.41Å; I169-F202 HydrophobicContact CG2-CE2 3.78Å; I169-F202 HydrophobicContact CG2-CG 3.97Å; I169-F202 HydrophobicContact CG2-CZ 4.15Å |
| 170 | Q | 98.4 | Very high | 98.5 | Very high | 162 Ų | 162 | 46.7 Ų | 46.7 | 76% | 0.757 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -63.3 | -41.3 | -177.4 | -62.7 | 179.1 | 10.6 | 0 | 0 | 111.6 | N168 R174 | N168-Q170 VanDerWaalsContact C-N 3.34Å; N168-Q170 PolarHBondContact O-N 3.44Å; N168-Q170 WeakPolarHBondContact OD1-CB 3.25Å; N168-Q170 PolarHBondContact OD1-N 3.14Å; Q170-R174 WeakPolarHBondContact O-CB 3.45Å; Q170-R174 PolarHBondContact O-N 3.46Å |
| 171 | Q | 98.4 | Very high | 98.5 | Very high | 30 Ų | 30 | 43.3 Ų | 43.3 | 14% | 0.14 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.3 | -42.8 | 179 | -65.7 | 164.3 | -32.1 | 0 | 0 | 111.7 | Y143 F167 N168 I169 R174 I175 | Y143-Q171 HydrophobicContact CE1-CG 4.23Å; Y143-Q171 HydrophobicContact CE2-CB 4.48Å; F167-Q171 HydrophobicContact CB-CB 4.38Å; F167-Q171 HydrophobicContact CD1-CB 3.56Å; F167-Q171 HydrophobicContact CE1-CB 4.26Å; F167-Q171 HydrophobicContact CG-CB 4.31Å; N168-Q171 PolarHBondContact ND2-OE1 3.48Å; N168-Q171 PolarHBondContact O-N 3.14Å; N168-Q171 WeakPolarHBondContact OD1-CG 3.41Å; N168-Q171 PolarHBondContact OD1-N 3.21Å; I169-Q171 VanDerWaalsContact C-N 3.34Å; I169-Q171 PolarHBondContact O-N 3.25Å; Q171-R174 PolarHBondContact O-N 2.91Å; Q171-I175 PolarHBondContact O-N 3.04Å; Q171-I175 VanDerWaalsContact O-N 3.08Å |
| 172 | I | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.5 | -43 | 176.9 | -58.7 | 164.5 | 0 | 0 | 0 | 110.4 | V164 F167 N168 I169 R174 I175 I176 L186 L199 F202 I208 | V164-I172 HydrophobicContact CG2-CG1 4.29Å; F167-I172 HydrophobicContact CB-CD1 4.17Å; F167-I172 HydrophobicContact CB-CG1 3.68Å; N168-I172 VanDerWaalsContact O-CG1 3.28Å; N168-I172 WeakPolarHBondContact O-CG1 3.27Å; N168-I172 PolarHBondContact O-N 3.36Å; I169-I172 PolarHBondContact O-N 3.43Å; I172-R174 VanDerWaalsContact C-N 3.26Å; I172-R174 PolarHBondContact O-N 3.1Å; I172-I175 WeakPolarHBondContact O-CB 3.3Å; I172-I175 PolarHBondContact O-N 3.12Å; I172-I175 VanDerWaalsContact O-N 3.11Å; I172-I176 HydrophobicContact CG2-CD1 3.97Å; I172-I176 HydrophobicContact CG2-CG1 4.4Å; I172-I176 WeakPolarHBondContact O-CG1 3.24Å; I172-I176 PolarHBondContact O-N 2.82Å; I172-L186 HydrophobicContact CD1-CD1 3.95Å; I172-L186 HydrophobicContact CD1-CD2 3.67Å; I172-L186 HydrophobicContact CD1-CG 4.32Å; I172-L199 HydrophobicContact CD1-CD1 3.94Å; I172-F202 HydrophobicContact CB-CE1 3.92Å; I172-F202 HydrophobicContact CG2-CE1 3.72Å; I172-F202 HydrophobicContact CG2-CZ 4.48Å; I172-I208 HydrophobicContact CG2-CD1 3.7Å |
| 173 | Q | 98.7 | Very high | 98.5 | Very high | 63 Ų | 63 | 46.7 Ų | 46.7 | 29% | 0.294 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.8 | -39.3 | 175.9 | -172.7 | 62.2 | 62.9 | 0 | 0 | 111.3 | I169 I175 I176 N177 F202 | I169-Q173 VanDerWaalsContact O-CB 3.29Å; I169-Q173 WeakPolarHBondContact O-CB 3.27Å; I169-Q173 PolarHBondContact O-N 2.94Å; Q173-I175 VanDerWaalsContact C-N 3.34Å; Q173-I175 PolarHBondContact O-N 2.95Å; Q173-I176 PolarHBondContact O-N 2.81Å; Q173-N177 PolarHBondContact NE2-OD1 2.87Å; Q173-N177 PolarHBondContact O-N 3.28Å; Q173-N177 PolarHBondContact O-OD1 3.35Å; Q173-F202 HydrophobicContact CB-CZ 4.11Å; Q173-F202 VanDerWaalsContact OE1-CE2 3.29Å |
| 174 | R | 98.7 | Very high | 98.5 | Very high | 87 Ų | 87 | 46.9 Ų | 46.9 | 33% | 0.328 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.1 | -39.8 | 175.1 | -168.8 | 178.3 | 172.9 | -118.8 | -2.4 | 111.9 | D142 Y143 L144 Q170 Q171 I172 N177 N178 | D142-R174 VanDerWaalsContact CG-NH1 3.31Å; D142-R174 IonicContact OD1-CZ 3.59Å; D142-R174 IonicContact OD1-NH1 3.08Å; D142-R174 PolarHBondContact OD1-NH1 2.7Å; D142-R174 IonicContact OD1-NH2 3.6Å; D142-R174 IonicContact OD2-CZ 3.32Å; D142-R174 VanDerWaalsContact OD2-CZ 3.32Å; D142-R174 IonicContact OD2-NH1 2.89Å; D142-R174 PolarHBondContact OD2-NH1 2.88Å; D142-R174 VanDerWaalsContact OD2-NH1 3.08Å; D142-R174 IonicContact OD2-NH2 2.65Å; D142-R174 PolarHBondContact OD2-NH2 2.94Å; Y143-R174 HydrophobicContact CE2-CB 4.45Å; Y143-R174 VanDerWaalsContact OH-CD 3.3Å; Y143-R174 WeakPolarHBondContact OH-CD 3.32Å; L144-R174 HydrophobicContact CD1-CG 4.19Å; L144-R174 VanDerWaalsContact CD1-CZ 3.41Å; L144-R174 HydrophobicContact CD2-CG 4.38Å; Q170-R174 WeakPolarHBondContact O-CB 3.45Å; Q170-R174 PolarHBondContact O-N 3.46Å; Q171-R174 PolarHBondContact O-N 2.91Å; I172-R174 VanDerWaalsContact C-N 3.26Å; I172-R174 PolarHBondContact O-N 3.1Å; R174-N177 PolarHBondContact O-N 2.92Å; R174-N178 PolarHBondContact O-N 3.05Å; R174-N178 PolarHBondContact O-ND2 3.25Å |
| 175 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.2 | -51.3 | 171.5 | -69.7 | 171 | 0 | 0 | 0 | 110.2 | Y143 L144 W147 V164 F167 Q171 I172 Q173 N177 N178 C179 P183 | Y143-I175 HydrophobicContact CD2-CD1 4.36Å; Y143-I175 HydrophobicContact CD2-CG1 4.14Å; Y143-I175 HydrophobicContact CE2-CG1 4.21Å; L144-I175 HydrophobicContact CD2-CG1 3.99Å; W147-I175 HydrophobicContact CD2-CD1 4.25Å; W147-I175 HydrophobicContact CD2-CG2 3.6Å; W147-I175 HydrophobicContact CE3-CD1 4.03Å; W147-I175 HydrophobicContact CE3-CG2 4.28Å; W147-I175 HydrophobicContact CG-CG1 4.44Å; W147-I175 HydrophobicContact CG-CG2 3.77Å; W147-I175 HydrophobicContact CZ2-CG2 4.15Å; V164-I175 HydrophobicContact CG1-CD1 3.75Å; F167-I175 HydrophobicContact CD1-CD1 3.95Å; F167-I175 HydrophobicContact CE1-CD1 3.59Å; F167-I175 HydrophobicContact CZ-CD1 4.42Å; Q171-I175 PolarHBondContact O-N 3.04Å; Q171-I175 VanDerWaalsContact O-N 3.08Å; I172-I175 WeakPolarHBondContact O-CB 3.3Å; I172-I175 PolarHBondContact O-N 3.12Å; I172-I175 VanDerWaalsContact O-N 3.11Å; Q173-I175 VanDerWaalsContact C-N 3.34Å; Q173-I175 PolarHBondContact O-N 2.95Å; I175-N177 PolarHBondContact O-N 3.21Å; I175-N177 VanDerWaalsContact O-N 3.16Å; I175-N178 CarbonylContact O-C 3.59Å; I175-N178 PolarHBondContact O-N 3.04Å; I175-C179 HydrophobicContact CG2-CB 4.08Å; I175-C179 VanDerWaalsContact O-CB 3.23Å; I175-C179 WeakPolarHBondContact O-CB 3.36Å; I175-C179 PolarHBondContact O-N 2.96Å; I175-C179 PolarHBondContact O-SG 2.92Å; I175-C179 VanDerWaalsContact O-SG 3.42Å; I175-P183 HydrophobicContact CG2-CG 3.87Å |
| 176 | I | 98.8 | Very high | 98.5 | Very high | 31 Ų | 31 | 46.9 Ų | 46.9 | 16% | 0.159 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -55 | -38.1 | -178.9 | -69.2 | 166.6 | 0 | 0 | 0 | 111.9 | I172 Q173 N178 K182 F202 N206 I208 | I172-I176 HydrophobicContact CG2-CD1 3.97Å; I172-I176 HydrophobicContact CG2-CG1 4.4Å; I172-I176 WeakPolarHBondContact O-CG1 3.24Å; I172-I176 PolarHBondContact O-N 2.82Å; Q173-I176 PolarHBondContact O-N 2.81Å; I176-N178 VanDerWaalsContact C-N 3.26Å; I176-N178 PolarHBondContact O-N 3.18Å; I176-K182 HydrophobicContact CG1-CG 4.43Å; I176-K182 HydrophobicContact CG2-CD 4.47Å; I176-F202 HydrophobicContact CD1-CE1 4.3Å; I176-F202 HydrophobicContact CD1-CZ 4.04Å; I176-N206 HydrophobicContact CD1-CB 4.06Å; I176-I208 HydrophobicContact CD1-CD1 4.15Å |
| 177 | N | 98.7 | Very high | 98.6 | Very high | 111 Ų | 111 | 46.1 Ų | 46.1 | 59% | 0.594 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -15.9 | 179.9 | -66.8 | -6 | 0 | 0 | 0 | 113.9 | Q173 R174 I175 | Q173-N177 PolarHBondContact NE2-OD1 2.87Å; Q173-N177 PolarHBondContact O-N 3.28Å; Q173-N177 PolarHBondContact O-OD1 3.35Å; R174-N177 PolarHBondContact O-N 2.92Å; I175-N177 PolarHBondContact O-N 3.21Å; I175-N177 VanDerWaalsContact O-N 3.16Å |
| 178 | N | 98.7 | Very high | 98.6 | Very high | 106 Ų | 106 | 46 Ų | 46 | 57% | 0.567 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -128.7 | 0.7 | -171.8 | -64.6 | -85.7 | 0 | 0 | 0 | 113.7 | L144 R174 I175 I176 | L144-N178 HydrophobicContact CD1-CB 4.07Å; L144-N178 HydrophobicContact CD2-CB 4.21Å; R174-N178 PolarHBondContact O-N 3.05Å; R174-N178 PolarHBondContact O-ND2 3.25Å; I175-N178 CarbonylContact O-C 3.59Å; I175-N178 PolarHBondContact O-N 3.04Å; I176-N178 VanDerWaalsContact C-N 3.26Å; I176-N178 PolarHBondContact O-N 3.18Å |
| 179 | C | 98.4 | Very high | 98.6 | Very high | 26 Ų | 26 | 42.7 Ų | 42.7 | 18% | 0.176 | 22% | 0.221 | C | C | . | . | trans | -91.5 | 152.8 | -177.6 | 68.3 | 0 | 0 | 0 | 0 | 112.3 | W147 E151 I175 V181 | W147-C179 VanDerWaalsContact NE1-CB 3.33Å; E151-C179 WeakPolarHBondContact OE1-CA 3.46Å; E151-C179 WeakPolarHBondContact OE1-CB 3.33Å; I175-C179 HydrophobicContact CG2-CB 4.08Å; I175-C179 VanDerWaalsContact O-CB 3.23Å; I175-C179 WeakPolarHBondContact O-CB 3.36Å; I175-C179 PolarHBondContact O-N 2.96Å; I175-C179 PolarHBondContact O-SG 2.92Å; I175-C179 VanDerWaalsContact O-SG 3.42Å; C179-V181 WeakPolarHBondContact CB-O 3.33Å | ||
| 180 | S | 98.4 | Very high | 98.6 | Very high | 111 Ų | 111 | 40.5 Ų | 40.5 | 78% | 0.776 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -84.3 | -29.8 | 160.3 | -57.5 | 0 | 0 | 0 | 0 | 111.2 | E151 | E151-S180 WeakPolarHBondContact OE1-CA 3.49Å; E151-S180 PolarHBondContact OE1-N 3.46Å |
| 181 | V | 98.4 | Very high | 98.6 | Very high | 43 Ų | 43 | 32.8 Ų | 32.8 | 26% | 0.261 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -127.5 | 121 | 178.4 | -176.6 | 0 | 0 | 0 | 0 | 109.7 | W147 E151 L154 I162 C179 | W147-V181 VanDerWaalsContact CZ2-O 3.26Å; W147-V181 WeakPolarHBondContact CZ2-O 3.01Å; W147-V181 PolarHBondContact NE1-O 2.9Å; E151-V181 HydrophobicContact CG-CB 4.43Å; E151-V181 PolarHBondContact OE1-N 2.85Å; L154-V181 HydrophobicContact CD2-CB 4.38Å; L154-V181 HydrophobicContact CD2-CG1 3.84Å; L154-V181 HydrophobicContact CD2-CG2 4.2Å; I162-V181 HydrophobicContact CD1-CB 4.48Å; I162-V181 HydrophobicContact CD1-CG1 4.48Å; C179-V181 WeakPolarHBondContact CB-O 3.33Å |
| 182 | K | 98.4 | Very high | 98.6 | Very high | 71 Ų | 71 | 31.4 Ų | 31.4 | 31% | 0.309 | 17% | 0.167 | S | C | . | . | trans | -64.7 | 149.2 | 175.7 | -68.8 | -172.5 | -67.5 | 168.7 | 0 | 111.2 | H9 I176 H184 N206 | H9-K182 PolarHBondContact CE1-O 2.77Å; H9-K182 PolarHBondContact NE2-O 2.83Å; I176-K182 HydrophobicContact CG1-CG 4.43Å; I176-K182 HydrophobicContact CG2-CD 4.47Å; K182-H184 PolarHBondContact O-N 2.6Å; K182-N206 PolarHBondContact NZ-O 2.74Å | ||
| 183 | P | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -52.5 | 131.2 | 170.5 | -23.6 | 32 | 0 | 0 | 0 | 111.8 | H9 W147 V164 I175 I208 | H9-P183 PolarHBondContact NE2-O 2.91Å; W147-P183 HydrophobicContact CH2-CB 3.74Å; W147-P183 HydrophobicContact CH2-CG 3.62Å; W147-P183 HydrophobicContact CZ2-CB 4.22Å; W147-P183 HydrophobicContact CZ2-CG 3.76Å; W147-P183 HydrophobicContact CZ3-CB 4.44Å; W147-P183 HydrophobicContact CZ3-CG 4.19Å; V164-P183 HydrophobicContact CG2-CB 4.36Å; I175-P183 HydrophobicContact CG2-CG 3.87Å; P183-I208 HydrophobicContact CB-CD1 4.31Å; P183-I208 HydrophobicContact CB-CG2 4.45Å; P183-I208 HydrophobicContact CG-CD1 4.49Å; P183-I208 WeakPolarHBondContact O-CG1 3.4Å | ||
| 184 | H | 98.9 | Very high | 98.5 | Very high | 4 Ų | 4 | 29.4 Ų | 29.4 | 2% | 0.019 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -80.5 | -28.8 | 177.5 | -57.7 | 84.6 | 0 | 0 | 0 | 111.7 | L8 H9 N10 I162 K182 S209 | L8-H184 HydrophobicContact CB-CB 4.42Å; L8-H184 HydrophobicContact CD1-CB 4.15Å; H9-H184 AromaticContact CD2-CD2 3.8Å; H9-H184 AromaticContact CE1-CD2 3.22Å; H9-H184 PolarHBondContact CE1-CD2 3.16Å; H9-H184 AromaticContact CE1-CE1 3.96Å; H9-H184 AromaticContact CE1-CG 3.93Å; H9-H184 AromaticContact CE1-NE2 3.26Å; H9-H184 PolarHBondContact CE1-NE2 2.82Å; H9-H184 VanDerWaalsContact CE1-NE2 3.26Å; H9-H184 AromaticContact ND1-CD2 3.74Å; H9-H184 AromaticContact ND1-NE2 3.93Å; H9-H184 AromaticContact NE2-CD2 3.26Å; H9-H184 PolarHBondContact NE2-CD2 3.29Å; H9-H184 VanDerWaalsContact NE2-CD2 3.26Å; H9-H184 AromaticContact NE2-CG 3.56Å; H9-H184 AromaticContact NE2-NE2 3.71Å; N10-H184 WeakPolarHBondContact CB-NE2 3.44Å; N10-H184 PolarHBondContact ND2-CD2 3.04Å; N10-H184 VanDerWaalsContact ND2-CD2 3.33Å; N10-H184 PolarHBondContact ND2-NE2 3.47Å; N10-H184 VanDerWaalsContact ND2-NE2 3.2Å; I162-H184 PolarHBondContact N-ND1 2.84Å; I162-H184 VanDerWaalsContact N-ND1 3.11Å; I162-H184 WeakPolarHBondContact O-CB 3.35Å; I162-H184 PolarHBondContact O-N 2.79Å; I162-H184 PolarHBondContact O-ND1 2.96Å; K182-H184 PolarHBondContact O-N 2.6Å; H184-S209 WeakPolarHBondContact O-CB 3.42Å; H184-S209 PolarHBondContact O-N 3.32Å; H184-S209 PolarHBondContact O-OG 3.08Å |
| 185 | N | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 144.9 | -177.1 | -174.9 | -102.3 | 0 | 0 | 0 | 111.3 | L108 L110 G163 V164 S209 T211 | L108-N185 HydrophobicContact CD1-CB 4.13Å; L108-N185 HydrophobicContact CD2-CB 3.76Å; L110-N185 HydrophobicContact CD2-CB 4.48Å; G163-N185 VanDerWaalsContact CA-O 3.28Å; G163-N185 WeakPolarHBondContact CA-O 3.48Å; V164-N185 PolarHBondContact N-O 2.6Å; N185-S209 CarbonylContact C-O 3.48Å; N185-S209 VanDerWaalsContact CA-O 3.32Å; N185-S209 WeakPolarHBondContact CA-O 3.42Å; N185-S209 WeakPolarHBondContact CA-OG 2.83Å; N185-S209 WeakPolarHBondContact CB-OG 3.49Å; N185-S209 PolarHBondContact ND2-O 2.93Å; N185-S209 PolarHBondContact ND2-OG 3.22Å; N185-T211 PolarHBondContact ND2-OG1 2.83Å; N185-T211 PolarHBondContact OD1-OG1 3.07Å |
| 186 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 125.6 | 161.5 | 174.1 | 66.9 | 0 | 0 | 0 | 109 | V164 F167 I172 V188 L199 C203 I208 S209 F210 T211 | V164-L186 HydrophobicContact CG2-CD1 3.75Å; V164-L186 CarbonylContact O-C 3.56Å; V164-L186 WeakPolarHBondContact O-CA 3.36Å; F167-L186 HydrophobicContact CB-CD1 4.23Å; I172-L186 HydrophobicContact CD1-CD1 3.95Å; I172-L186 HydrophobicContact CD1-CD2 3.67Å; I172-L186 HydrophobicContact CD1-CG 4.32Å; L186-V188 HydrophobicContact CD1-CG1 3.76Å; L186-V188 HydrophobicContact CD2-CG1 4.14Å; L186-V188 HydrophobicContact CG-CG1 3.88Å; L186-L199 HydrophobicContact CD2-CD1 3.75Å; L186-L199 HydrophobicContact CD2-CD2 3.86Å; L186-L199 HydrophobicContact CD2-CG 3.71Å; L186-C203 WeakPolarHBondContact CD2-SG 3.49Å; L186-I208 HydrophobicContact CB-CG2 4.13Å; L186-S209 PolarHBondContact N-O 2.83Å; L186-F210 HydrophobicContact CD2-CD2 4.2Å; L186-F210 HydrophobicContact CD2-CE2 3.65Å; L186-F210 HydrophobicContact CD2-CZ 4.2Å; L186-F210 HydrophobicContact CG-CE2 4.42Å; L186-F210 CarbonylContact O-C 3.48Å; L186-F210 WeakPolarHBondContact O-CA 3.35Å; L186-T211 PolarHBondContact O-N 3.44Å |
| 187 | Q | 98.9 | Very high | 98.4 | Very high | 3 Ų | 3 | 29 Ų | 29 | 1% | 0.014 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 120.4 | 172.3 | -168.1 | -178.7 | 109.3 | 0 | 0 | 111.1 | D45 L110 V164 S165 N166 T211 F213 I272 | D45-Q187 PolarHBondContact OD2-NE2 2.81Å; L110-Q187 HydrophobicContact CD1-CB 3.83Å; V164-Q187 PolarHBondContact O-N 2.94Å; S165-Q187 CarbonylContact C-O 3.45Å; S165-Q187 WeakPolarHBondContact CA-O 3.33Å; S165-Q187 PolarHBondContact OG-O 3.46Å; N166-Q187 PolarHBondContact N-O 2.81Å; Q187-T211 CarbonylContact C-O 3.58Å; Q187-T211 VanDerWaalsContact CA-O 3.28Å; Q187-T211 WeakPolarHBondContact CA-O 3.39Å; Q187-T211 HydrophobicContact CG-CG2 3.98Å; Q187-F213 HydrophobicContact CG-CD1 4.22Å; Q187-I272 HydrophobicContact CG-CD1 4.5Å |
| 188 | V | 98.5 | Very high | 98.4 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 164.1 | 179 | -65.2 | 0 | 0 | 0 | 0 | 112.1 | L186 C190 Q196 L199 F210 T211 A212 F213 | L186-V188 HydrophobicContact CD1-CG1 3.76Å; L186-V188 HydrophobicContact CD2-CG1 4.14Å; L186-V188 HydrophobicContact CG-CG1 3.88Å; V188-C190 PolarHBondContact O-N 3.34Å; V188-Q196 HydrophobicContact CG2-CG 3.95Å; V188-L199 HydrophobicContact CG1-CD2 4.28Å; V188-L199 HydrophobicContact CG2-CD2 4.28Å; V188-F210 HydrophobicContact CG2-CD1 4.37Å; V188-F210 HydrophobicContact CG2-CE1 3.25Å; V188-F210 HydrophobicContact CG2-CE2 4.3Å; V188-F210 HydrophobicContact CG2-CZ 3.21Å; V188-T211 PolarHBondContact N-O 2.96Å; V188-A212 WeakPolarHBondContact O-CA 3.41Å; V188-F213 VanDerWaalsContact CA-CE1 3.49Å; V188-F213 PolarHBondContact O-N 3.29Å |
| 189 | E | 97.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 121.9 | 166.6 | -176 | -176.7 | 161.2 | 0 | 0 | 109.5 | H191 C194 Q196 F213 R308 F309 F310 | E189-H191 IonicContact OE1-CE1 3.61Å; E189-H191 IonicContact OE1-NE2 3.89Å; E189-H191 PolarHBondContact OE1-NE2 3Å; E189-C194 HydrophobicContact CG-CB 4.43Å; E189-Q196 VanDerWaalsContact O-CG 3.23Å; E189-Q196 WeakPolarHBondContact O-CG 3.38Å; E189-Q196 PolarHBondContact O-NE2 3.22Å; E189-F213 WeakPolarHBondContact CA-O 3.45Å; E189-F213 HydrophobicContact CB-CD2 4.18Å; E189-F213 HydrophobicContact CB-CE1 4.39Å; E189-F213 HydrophobicContact CB-CE2 3.54Å; E189-F213 HydrophobicContact CB-CZ 3.66Å; E189-F213 HydrophobicContact CG-CE2 4.21Å; E189-R308 WeakPolarHBondContact OE1-CA 3.45Å; E189-R308 WeakPolarHBondContact OE2-CG 3.43Å; E189-R308 IonicContact OE2-NH1 3.25Å; E189-R308 PolarHBondContact OE2-NH1 3.02Å; E189-F309 PolarHBondContact OE1-N 3.33Å; E189-F310 HydrophobicContact CB-CD2 4.46Å; E189-F310 HydrophobicContact CG-CD2 3.97Å; E189-F310 VanDerWaalsContact OE2-CB 3.31Å; E189-F310 WeakPolarHBondContact OE2-CB 3.38Å; E189-F310 WeakPolarHBondContact OE2-CD2 3.49Å; E189-F310 PolarHBondContact OE2-N 3.21Å |
| 190 | C | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -150.3 | 119.3 | 177.3 | -169.4 | 0 | 0 | 0 | 0 | 111.7 | V188 C194 P195 Q196 F210 A212 F213 S215 L264 | V188-C190 PolarHBondContact O-N 3.34Å; C190-C194 WeakPolarHBondContact CA-O 3.35Å; C190-P195 PolarHBondContact SG-O 3.4Å; C190-P195 VanDerWaalsContact SG-O 3.36Å; C190-Q196 HydrophobicContact CB-CG 4Å; C190-F210 HydrophobicContact CB-CE1 4.34Å; C190-A212 HydrophobicContact CB-CB 3.71Å; C190-F213 PolarHBondContact N-O 3.05Å; C190-S215 WeakPolarHBondContact O-CA 3.46Å; C190-L264 HydrophobicContact CB-CD2 4.28Å; C190-L264 VanDerWaalsContact SG-CD2 3.54Å | ||
| 191 | H | 98.2 | Very high | 98.4 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | B | Isolated β-bridge | trans | -158.9 | 173.3 | 177.6 | 48.9 | 81.5 | 0 | 0 | 0 | 108.3 | E189 Y193 C194 P195 G214 F309 | E189-H191 IonicContact OE1-CE1 3.61Å; E189-H191 IonicContact OE1-NE2 3.89Å; E189-H191 PolarHBondContact OE1-NE2 3Å; H191-Y193 PolarHBondContact ND1-N 3.35Å; H191-Y193 PolarHBondContact O-N 3.3Å; H191-C194 PolarHBondContact N-O 3.01Å; H191-C194 PolarHBondContact ND1-N 3.22Å; H191-C194 CarbonylContact O-C 3.56Å; H191-C194 WeakPolarHBondContact O-CA 3.24Å; H191-C194 PolarHBondContact O-N 2.88Å; H191-P195 VanDerWaalsContact O-CA 3.3Å; H191-P195 WeakPolarHBondContact O-CA 3.41Å; H191-P195 VanDerWaalsContact O-N 3.15Å; H191-G214 PolarHBondContact CD2-O 3.37Å; H191-F309 AromaticContact CE1-CD2 3.56Å; H191-F309 AromaticContact CE1-CE2 3.45Å; H191-F309 VanDerWaalsContact CE1-CE2 3.45Å; H191-F309 WeakPolarHBondContact CE1-CE2 3.3Å; H191-F309 AromaticContact NE2-CD2 3.4Å; H191-F309 WeakPolarHBondContact NE2-CD2 3.44Å; H191-F309 AromaticContact NE2-CE2 3.72Å |
| 192 | P | 98.1 | Very high | 98.4 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -29.7 | -175.2 | -30.3 | 37.3 | 0 | 0 | 0 | 115.3 | L260 W263 I303 R306 | P192-L260 HydrophobicContact CG-CD2 3.57Å; P192-W263 HydrophobicContact CG-CE3 4.14Å; P192-W263 HydrophobicContact CG-CH2 4.4Å; P192-W263 HydrophobicContact CG-CZ3 4.05Å; P192-I303 HydrophobicContact CB-CD1 3.69Å; P192-I303 HydrophobicContact CG-CD1 4.34Å; P192-R306 PolarHBondContact O-NH1 3.43Å; P192-R306 VanDerWaalsContact O-NH1 3.16Å |
| 193 | Y | 97.9 | Very high | 98.5 | Very high | 9 Ų | 9 | 20 Ų | 20 | 4% | 0.035 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -19.2 | 175.2 | -51 | -19 | 0 | 0 | 0 | 114.3 | H191 P237 V238 P239 D242 I303 T305 R306 Q307 F309 | H191-Y193 PolarHBondContact ND1-N 3.35Å; H191-Y193 PolarHBondContact O-N 3.3Å; Y193-P237 HydrophobicContact CD2-CB 4.32Å; Y193-P237 HydrophobicContact CD2-CG 3.87Å; Y193-P237 HydrophobicContact CE2-CB 3.58Å; Y193-P237 HydrophobicContact CE2-CG 3.66Å; Y193-V238 PolarHBondContact OH-O 2.84Å; Y193-P239 HydrophobicContact CD2-CG 3.71Å; Y193-P239 HydrophobicContact CE2-CB 4.25Å; Y193-P239 HydrophobicContact CE2-CG 3.64Å; Y193-P239 HydrophobicContact CG-CG 4.36Å; Y193-D242 HydrophobicContact CE1-CB 4.46Å; Y193-D242 WeakPolarHBondContact CE1-OD2 3.25Å; Y193-D242 WeakPolarHBondContact OH-CB 3.38Å; Y193-D242 PolarHBondContact OH-OD2 2.94Å; Y193-I303 HydrophobicContact CD1-CG2 3.78Å; Y193-I303 HydrophobicContact CE1-CG2 3.73Å; Y193-T305 WeakPolarHBondContact CA-O 3.31Å; Y193-T305 HydrophobicContact CD1-CG2 3.73Å; Y193-T305 HydrophobicContact CD2-CG2 3.85Å; Y193-T305 HydrophobicContact CE1-CG2 3.96Å; Y193-T305 HydrophobicContact CE2-CG2 4.1Å; Y193-T305 HydrophobicContact CG-CG2 3.68Å; Y193-R306 CarbonylContact O-C 3.48Å; Y193-R306 VanDerWaalsContact O-CA 3.23Å; Y193-R306 WeakPolarHBondContact O-CA 3.3Å; Y193-Q307 CarbonylContact C-O 3.59Å; Y193-Q307 PolarHBondContact O-N 3Å; Y193-F309 HydrophobicContact CD2-CE2 4.41Å; Y193-F309 AromaticContact CD2-CZ 3.73Å; Y193-F309 HydrophobicContact CD2-CZ 3.73Å; Y193-F309 HydrophobicContact CE2-CZ 4.33Å |
| 194 | C | 97.6 | Very high | 98.4 | Very high | 14 Ų | 14 | 27.2 Ų | 27.2 | 10% | 0.095 | 12% | 0.124 | C | C | . | . | B | Isolated β-bridge | trans | -131.2 | 72.3 | 172.2 | -164.5 | 0 | 0 | 0 | 0 | 108 | E189 C190 H191 Q196 | E189-C194 HydrophobicContact CG-CB 4.43Å; C190-C194 WeakPolarHBondContact CA-O 3.35Å; H191-C194 PolarHBondContact N-O 3.01Å; H191-C194 PolarHBondContact ND1-N 3.22Å; H191-C194 CarbonylContact O-C 3.56Å; H191-C194 WeakPolarHBondContact O-CA 3.24Å; H191-C194 PolarHBondContact O-N 2.88Å; C194-Q196 VanDerWaalsContact C-N 3.28Å; C194-Q196 PolarHBondContact O-N 3.3Å |
| 195 | P | 98 | Very high | 98.4 | Very high | 11 Ų | 11 | 33.5 Ų | 33.5 | 7% | 0.071 | 15% | 0.154 | C | C | . | . | trans | -76.9 | -13.3 | -162.1 | 28.6 | -36.2 | 0 | 0 | 0 | 114.7 | C190 H191 F197 W263 R267 | C190-P195 PolarHBondContact SG-O 3.4Å; C190-P195 VanDerWaalsContact SG-O 3.36Å; H191-P195 VanDerWaalsContact O-CA 3.3Å; H191-P195 WeakPolarHBondContact O-CA 3.41Å; H191-P195 VanDerWaalsContact O-N 3.15Å; P195-F197 VanDerWaalsContact C-N 3.28Å; P195-F197 HydrophobicContact CB-CD1 4.25Å; P195-F197 HydrophobicContact CB-CD2 3.83Å; P195-F197 HydrophobicContact CB-CE1 3.9Å; P195-F197 HydrophobicContact CB-CE2 3.45Å; P195-F197 VanDerWaalsContact CB-CE2 3.45Å; P195-F197 HydrophobicContact CB-CG 4.21Å; P195-F197 HydrophobicContact CB-CZ 3.48Å; P195-F197 VanDerWaalsContact CB-CZ 3.48Å; P195-F197 HydrophobicContact CG-CD2 3.62Å; P195-F197 HydrophobicContact CG-CE2 3.41Å; P195-F197 VanDerWaalsContact CG-CE2 3.41Å; P195-F197 HydrophobicContact CG-CG 4.37Å; P195-F197 HydrophobicContact CG-CZ 4Å; P195-F197 PolarHBondContact O-N 3.22Å; P195-W263 HydrophobicContact CB-CH2 3.9Å; P195-W263 HydrophobicContact CB-CZ2 4.24Å; P195-R267 PolarHBondContact O-NH1 3.25Å; P195-R267 PolarHBondContact O-NH2 3.11Å | ||
| 196 | Q | 98.2 | Very high | 98.4 | Very high | 27 Ų | 27 | 35 Ų | 35 | 13% | 0.126 | 16% | 0.161 | C | C | . | . | trans | 54.1 | 35.1 | 179.8 | -54.1 | -67.4 | 7.9 | 0 | 0 | 114.3 | V188 E189 C190 C194 E198 L199 H200 F210 | V188-Q196 HydrophobicContact CG2-CG 3.95Å; E189-Q196 VanDerWaalsContact O-CG 3.23Å; E189-Q196 WeakPolarHBondContact O-CG 3.38Å; E189-Q196 PolarHBondContact O-NE2 3.22Å; C190-Q196 HydrophobicContact CB-CG 4Å; C194-Q196 VanDerWaalsContact C-N 3.28Å; C194-Q196 PolarHBondContact O-N 3.3Å; Q196-E198 PolarHBondContact O-N 3.32Å; Q196-L199 HydrophobicContact CB-CB 4.43Å; Q196-L199 PolarHBondContact O-N 3.23Å; Q196-H200 WeakPolarHBondContact O-CB 3.39Å; Q196-H200 PolarHBondContact O-N 3.05Å; Q196-F210 HydrophobicContact CB-CE1 4.34Å; Q196-F210 HydrophobicContact CB-CZ 3.83Å; Q196-F210 HydrophobicContact CG-CE1 4.5Å; Q196-F210 HydrophobicContact CG-CZ 4.2Å | ||
| 197 | F | 98.4 | Very high | 98.3 | Very high | 71 Ų | 71 | 38.3 Ų | 38.3 | 31% | 0.311 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -57 | -53.6 | -174.9 | -65.6 | -53.6 | 0 | 0 | 0 | 112.9 | P195 H200 D201 W263 N301 | P195-F197 VanDerWaalsContact C-N 3.28Å; P195-F197 HydrophobicContact CB-CD1 4.25Å; P195-F197 HydrophobicContact CB-CD2 3.83Å; P195-F197 HydrophobicContact CB-CE1 3.9Å; P195-F197 HydrophobicContact CB-CE2 3.45Å; P195-F197 VanDerWaalsContact CB-CE2 3.45Å; P195-F197 HydrophobicContact CB-CG 4.21Å; P195-F197 HydrophobicContact CB-CZ 3.48Å; P195-F197 VanDerWaalsContact CB-CZ 3.48Å; P195-F197 HydrophobicContact CG-CD2 3.62Å; P195-F197 HydrophobicContact CG-CE2 3.41Å; P195-F197 VanDerWaalsContact CG-CE2 3.41Å; P195-F197 HydrophobicContact CG-CG 4.37Å; P195-F197 HydrophobicContact CG-CZ 4Å; P195-F197 PolarHBondContact O-N 3.22Å; F197-H200 PolarHBondContact O-N 3.36Å; F197-D201 PolarHBondContact O-N 2.98Å; F197-W263 HydrophobicContact CE1-CZ2 4.19Å; F197-W263 HydrophobicContact CZ-CZ2 4.26Å; F197-N301 HydrophobicContact CE1-CB 4.45Å; F197-N301 HydrophobicContact CZ-CB 3.86Å |
| 198 | E | 98.5 | Very high | 98.3 | Very high | 151 Ų | 151 | 38.6 Ų | 38.6 | 71% | 0.706 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -62.9 | -47.3 | -178.8 | -169.7 | -173.5 | 173.3 | 0 | 0 | 112.2 | I169 Q196 H200 D201 F202 | I169-E198 HydrophobicContact CD1-CG 3.85Å; Q196-E198 PolarHBondContact O-N 3.32Å; E198-H200 VanDerWaalsContact C-N 3.33Å; E198-H200 PolarHBondContact O-N 3.26Å; E198-D201 PolarHBondContact O-N 3.23Å; E198-F202 PolarHBondContact O-N 3.4Å |
| 199 | L | 98.7 | Very high | 98.3 | Very high | 15 Ų | 15 | 39.3 Ų | 39.3 | 8% | 0.079 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.2 | -38 | 178.7 | -178.5 | 58.8 | 0 | 0 | 0 | 112.1 | I169 I172 L186 V188 Q196 F202 C203 F210 | I169-L199 HydrophobicContact CG1-CD1 3.64Å; I172-L199 HydrophobicContact CD1-CD1 3.94Å; L186-L199 HydrophobicContact CD2-CD1 3.75Å; L186-L199 HydrophobicContact CD2-CD2 3.86Å; L186-L199 HydrophobicContact CD2-CG 3.71Å; V188-L199 HydrophobicContact CG1-CD2 4.28Å; V188-L199 HydrophobicContact CG2-CD2 4.28Å; Q196-L199 HydrophobicContact CB-CB 4.43Å; Q196-L199 PolarHBondContact O-N 3.23Å; L199-F202 PolarHBondContact O-N 2.81Å; L199-C203 PolarHBondContact O-N 3.44Å; L199-C203 PolarHBondContact O-SG 2.84Å; L199-F210 HydrophobicContact CD2-CZ 4.36Å; L199-F210 HydrophobicContact CG-CE2 4.03Å; L199-F210 HydrophobicContact CG-CZ 4.27Å |
| 200 | H | 98.6 | Very high | 98.4 | Very high | 24 Ų | 24 | 39.5 Ų | 39.5 | 11% | 0.111 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.4 | -42.9 | 175.7 | 179.6 | -111.5 | 0 | 0 | 0 | 111.8 | Q196 F197 E198 C203 R204 F210 R267 I269 | Q196-H200 WeakPolarHBondContact O-CB 3.39Å; Q196-H200 PolarHBondContact O-N 3.05Å; F197-H200 PolarHBondContact O-N 3.36Å; E198-H200 VanDerWaalsContact C-N 3.33Å; E198-H200 PolarHBondContact O-N 3.26Å; H200-C203 PolarHBondContact O-N 3.26Å; H200-R204 WeakPolarHBondContact O-CB 3.42Å; H200-R204 PolarHBondContact O-N 3.35Å; H200-F210 HydrophobicContact CB-CD2 4.26Å; H200-F210 HydrophobicContact CB-CE2 4.01Å; H200-F210 HydrophobicContact CB-CZ 4.38Å; H200-F210 AromaticContact CD2-CD2 3.7Å; H200-F210 AromaticContact CD2-CG 3.7Å; H200-R267 PolarHBondContact CE1-O 3.2Å; H200-R267 PolarHBondContact NE2-O 2.98Å; H200-I269 WeakPolarHBondContact NE2-CG1 3.49Å |
| 201 | D | 98.7 | Very high | 98.4 | Very high | 67 Ų | 67 | 39.5 Ų | 39.5 | 36% | 0.358 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64.2 | -41.2 | 175.5 | -89.8 | -38 | 0 | 0 | 0 | 112.3 | F197 E198 C203 R204 Q205 | F197-D201 PolarHBondContact O-N 2.98Å; E198-D201 PolarHBondContact O-N 3.23Å; D201-C203 PolarHBondContact O-N 3.19Å; D201-R204 PolarHBondContact O-N 3.13Å; D201-R204 IonicContact OD1-CZ 3.78Å; D201-R204 IonicContact OD1-NE 3.64Å; D201-R204 PolarHBondContact OD1-NE 3.11Å; D201-R204 IonicContact OD1-NH2 2.94Å; D201-R204 PolarHBondContact OD1-NH2 2.95Å; D201-Q205 VanDerWaalsContact O-CG 3.28Å; D201-Q205 WeakPolarHBondContact O-CG 3.24Å; D201-Q205 PolarHBondContact O-N 3.48Å |
| 202 | F | 98.8 | Very high | 98.4 | Very high | 23 Ų | 23 | 39.5 Ų | 39.5 | 10% | 0.101 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.1 | -47.7 | 172.8 | 175.5 | -93.5 | 0 | 0 | 0 | 111.9 | I169 I172 Q173 I176 E198 L199 R204 Q205 N206 | I169-F202 HydrophobicContact CD1-CB 4.06Å; I169-F202 HydrophobicContact CD1-CG 4.39Å; I169-F202 HydrophobicContact CG1-CB 4.14Å; I169-F202 HydrophobicContact CG1-CD1 4.29Å; I169-F202 HydrophobicContact CG1-CG 4.09Å; I169-F202 HydrophobicContact CG2-CD1 4.33Å; I169-F202 HydrophobicContact CG2-CD2 3.69Å; I169-F202 HydrophobicContact CG2-CE1 4.41Å; I169-F202 HydrophobicContact CG2-CE2 3.78Å; I169-F202 HydrophobicContact CG2-CG 3.97Å; I169-F202 HydrophobicContact CG2-CZ 4.15Å; I172-F202 HydrophobicContact CB-CE1 3.92Å; I172-F202 HydrophobicContact CG2-CE1 3.72Å; I172-F202 HydrophobicContact CG2-CZ 4.48Å; Q173-F202 HydrophobicContact CB-CZ 4.11Å; Q173-F202 VanDerWaalsContact OE1-CE2 3.29Å; I176-F202 HydrophobicContact CD1-CE1 4.3Å; I176-F202 HydrophobicContact CD1-CZ 4.04Å; E198-F202 PolarHBondContact O-N 3.4Å; L199-F202 PolarHBondContact O-N 2.81Å; F202-R204 PolarHBondContact O-N 2.9Å; F202-Q205 PolarHBondContact O-N 3.49Å; F202-N206 WeakPolarHBondContact CE2-ND2 3.32Å; F202-N206 WeakPolarHBondContact CZ-ND2 3.43Å; F202-N206 PolarHBondContact O-N 3.48Å; F202-N206 PolarHBondContact O-ND2 2.91Å |
| 203 | C | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.9 | -44.4 | 177 | -77.4 | 0 | 0 | 0 | 0 | 112.1 | L186 L199 H200 D201 Q205 N206 S207 I208 F210 | L186-C203 WeakPolarHBondContact CD2-SG 3.49Å; L199-C203 PolarHBondContact O-N 3.44Å; L199-C203 PolarHBondContact O-SG 2.84Å; H200-C203 PolarHBondContact O-N 3.26Å; D201-C203 PolarHBondContact O-N 3.19Å; C203-Q205 PolarHBondContact O-N 2.6Å; C203-N206 CarbonylContact O-C 3.51Å; C203-N206 PolarHBondContact O-N 2.96Å; C203-N206 VanDerWaalsContact O-N 3.08Å; C203-S207 PolarHBondContact O-N 3.34Å; C203-S207 VanDerWaalsContact O-N 3.08Å; C203-I208 CarbonylContact C-O 3.55Å; C203-I208 HydrophobicContact CB-CB 3.97Å; C203-I208 HydrophobicContact CB-CG2 4.42Å; C203-I208 WeakPolarHBondContact CB-O 3.44Å; C203-I208 PolarHBondContact O-N 3.5Å; C203-F210 HydrophobicContact CB-CD2 3.9Å; C203-F210 HydrophobicContact CB-CE2 4.4Å |
| 204 | R | 98 | Very high | 98.4 | Very high | 150 Ų | 150 | 40.9 Ų | 40.9 | 57% | 0.566 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -58.7 | -45.8 | 177.2 | -176.8 | -178.4 | 61.4 | 80 | -0.5 | 111.8 | H200 D201 F202 N206 S207 | H200-R204 WeakPolarHBondContact O-CB 3.42Å; H200-R204 PolarHBondContact O-N 3.35Å; D201-R204 PolarHBondContact O-N 3.13Å; D201-R204 IonicContact OD1-CZ 3.78Å; D201-R204 IonicContact OD1-NE 3.64Å; D201-R204 PolarHBondContact OD1-NE 3.11Å; D201-R204 IonicContact OD1-NH2 2.94Å; D201-R204 PolarHBondContact OD1-NH2 2.95Å; F202-R204 PolarHBondContact O-N 2.9Å; R204-N206 PolarHBondContact O-N 3.47Å; R204-S207 PolarHBondContact O-N 2.98Å |
| 205 | Q | 98.4 | Very high | 98.4 | Very high | 137 Ų | 137 | 40.3 Ų | 40.3 | 64% | 0.64 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -62 | -27.7 | 177.3 | -71 | 171 | 12.6 | 0 | 0 | 112.7 | D201 F202 C203 | D201-Q205 VanDerWaalsContact O-CG 3.28Å; D201-Q205 WeakPolarHBondContact O-CG 3.24Å; D201-Q205 PolarHBondContact O-N 3.48Å; F202-Q205 PolarHBondContact O-N 3.49Å; C203-Q205 PolarHBondContact O-N 2.6Å |
| 206 | N | 98.6 | Very high | 98.4 | Very high | 30 Ų | 30 | 41 Ų | 41 | 16% | 0.16 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 5.8 | 179.6 | -73.9 | -76.9 | 0 | 0 | 0 | 114.4 | I176 K182 F202 C203 R204 I208 | I176-N206 HydrophobicContact CD1-CB 4.06Å; K182-N206 PolarHBondContact NZ-O 2.74Å; F202-N206 WeakPolarHBondContact CE2-ND2 3.32Å; F202-N206 WeakPolarHBondContact CZ-ND2 3.43Å; F202-N206 PolarHBondContact O-N 3.48Å; F202-N206 PolarHBondContact O-ND2 2.91Å; C203-N206 CarbonylContact O-C 3.51Å; C203-N206 PolarHBondContact O-N 2.96Å; C203-N206 VanDerWaalsContact O-N 3.08Å; R204-N206 PolarHBondContact O-N 3.47Å; N206-I208 VanDerWaalsContact C-N 3.27Å; N206-I208 HydrophobicContact CB-CD1 3.99Å; N206-I208 HydrophobicContact CB-CG1 3.93Å; N206-I208 PolarHBondContact O-N 3.5Å |
| 207 | S | 98.2 | Very high | 98.2 | Very high | 71 Ų | 71 | 39.9 Ų | 39.9 | 50% | 0.497 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 32.5 | -175.2 | -45 | 0 | 0 | 0 | 0 | 113.9 | H9 C203 R204 | H9-S207 PolarHBondContact CD2-O 3.25Å; C203-S207 PolarHBondContact O-N 3.34Å; C203-S207 VanDerWaalsContact O-N 3.08Å; R204-S207 PolarHBondContact O-N 2.98Å |
| 208 | I | 98.8 | Very high | 97.9 | Very high | 8 Ų | 8 | 37.7 Ų | 37.7 | 4% | 0.041 | 19% | 0.19 | C | C | . | . | trans | -96.4 | 120.9 | 176.1 | -52.8 | -177.5 | 0 | 0 | 0 | 107.7 | I172 I176 P183 L186 C203 N206 | I172-I208 HydrophobicContact CG2-CD1 3.7Å; I176-I208 HydrophobicContact CD1-CD1 4.15Å; P183-I208 HydrophobicContact CB-CD1 4.31Å; P183-I208 HydrophobicContact CB-CG2 4.45Å; P183-I208 HydrophobicContact CG-CD1 4.49Å; P183-I208 WeakPolarHBondContact O-CG1 3.4Å; L186-I208 HydrophobicContact CB-CG2 4.13Å; C203-I208 CarbonylContact C-O 3.55Å; C203-I208 HydrophobicContact CB-CB 3.97Å; C203-I208 HydrophobicContact CB-CG2 4.42Å; C203-I208 WeakPolarHBondContact CB-O 3.44Å; C203-I208 PolarHBondContact O-N 3.5Å; N206-I208 VanDerWaalsContact C-N 3.27Å; N206-I208 HydrophobicContact CB-CD1 3.99Å; N206-I208 HydrophobicContact CB-CG1 3.93Å; N206-I208 PolarHBondContact O-N 3.5Å | ||
| 209 | S | 98.7 | Very high | 97.5 | Very high | 17 Ų | 17 | 34.1 Ų | 34.1 | 12% | 0.119 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 159.4 | 174.9 | 67.9 | 0 | 0 | 0 | 0 | 111.2 | L8 H184 N185 L186 | L8-S209 WeakPolarHBondContact CD2-OG 3.44Å; H184-S209 WeakPolarHBondContact O-CB 3.42Å; H184-S209 PolarHBondContact O-N 3.32Å; H184-S209 PolarHBondContact O-OG 3.08Å; N185-S209 CarbonylContact C-O 3.48Å; N185-S209 VanDerWaalsContact CA-O 3.32Å; N185-S209 WeakPolarHBondContact CA-O 3.42Å; N185-S209 WeakPolarHBondContact CA-OG 2.83Å; N185-S209 WeakPolarHBondContact CB-OG 3.49Å; N185-S209 PolarHBondContact ND2-O 2.93Å; N185-S209 PolarHBondContact ND2-OG 3.22Å; L186-S209 PolarHBondContact N-O 2.83Å |
| 210 | F | 98.7 | Very high | 96.9 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.018 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 132.1 | -173.6 | -148.7 | -81.2 | 0 | 0 | 0 | 110.7 | L186 V188 C190 Q196 L199 H200 C203 I269 A270 | L186-F210 HydrophobicContact CD2-CD2 4.2Å; L186-F210 HydrophobicContact CD2-CE2 3.65Å; L186-F210 HydrophobicContact CD2-CZ 4.2Å; L186-F210 HydrophobicContact CG-CE2 4.42Å; L186-F210 CarbonylContact O-C 3.48Å; L186-F210 WeakPolarHBondContact O-CA 3.35Å; V188-F210 HydrophobicContact CG2-CD1 4.37Å; V188-F210 HydrophobicContact CG2-CE1 3.25Å; V188-F210 HydrophobicContact CG2-CE2 4.3Å; V188-F210 HydrophobicContact CG2-CZ 3.21Å; C190-F210 HydrophobicContact CB-CE1 4.34Å; Q196-F210 HydrophobicContact CB-CE1 4.34Å; Q196-F210 HydrophobicContact CB-CZ 3.83Å; Q196-F210 HydrophobicContact CG-CE1 4.5Å; Q196-F210 HydrophobicContact CG-CZ 4.2Å; L199-F210 HydrophobicContact CD2-CZ 4.36Å; L199-F210 HydrophobicContact CG-CE2 4.03Å; L199-F210 HydrophobicContact CG-CZ 4.27Å; H200-F210 HydrophobicContact CB-CD2 4.26Å; H200-F210 HydrophobicContact CB-CE2 4.01Å; H200-F210 HydrophobicContact CB-CZ 4.38Å; H200-F210 AromaticContact CD2-CD2 3.7Å; H200-F210 AromaticContact CD2-CG 3.7Å; C203-F210 HydrophobicContact CB-CD2 3.9Å; C203-F210 HydrophobicContact CB-CE2 4.4Å; F210-I269 HydrophobicContact CB-CG1 4.22Å; F210-I269 HydrophobicContact CB-CG2 4.43Å; F210-I269 HydrophobicContact CD1-CD1 4.44Å; F210-I269 HydrophobicContact CD1-CG1 4.28Å; F210-I269 HydrophobicContact CD1-CG2 3.86Å; F210-I269 HydrophobicContact CG-CG1 4.49Å; F210-A270 PolarHBondContact O-N 3.43Å |
| 211 | T | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 124.9 | 176.1 | -58.2 | 0 | 0 | 0 | 0 | 110.1 | N185 L186 Q187 V188 A270 I272 | N185-T211 PolarHBondContact ND2-OG1 2.83Å; N185-T211 PolarHBondContact OD1-OG1 3.07Å; L186-T211 PolarHBondContact O-N 3.44Å; Q187-T211 CarbonylContact C-O 3.58Å; Q187-T211 VanDerWaalsContact CA-O 3.28Å; Q187-T211 WeakPolarHBondContact CA-O 3.39Å; Q187-T211 HydrophobicContact CG-CG2 3.98Å; V188-T211 PolarHBondContact N-O 2.96Å; T211-A270 CarbonylContact C-O 3.56Å; T211-A270 WeakPolarHBondContact CA-O 3.4Å; T211-A270 HydrophobicContact CG2-CB 4.34Å; T211-I272 HydrophobicContact CG2-CD1 4.19Å; T211-I272 HydrophobicContact CG2-CG1 4.09Å; T211-I272 HydrophobicContact CG2-CG2 4.08Å |
| 212 | A | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 117.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | V188 C190 L264 I269 A270 V271 I272 | V188-A212 WeakPolarHBondContact O-CA 3.41Å; C190-A212 HydrophobicContact CB-CB 3.71Å; A212-L264 HydrophobicContact CB-CD1 3.74Å; A212-L264 HydrophobicContact CB-CD2 4.19Å; A212-L264 HydrophobicContact CB-CG 4.49Å; A212-I269 HydrophobicContact CB-CG2 3.71Å; A212-A270 PolarHBondContact N-O 2.81Å; A212-V271 HydrophobicContact CB-CG1 4.5Å; A212-I272 WeakPolarHBondContact O-CG1 3.39Å; A212-I272 PolarHBondContact O-N 3.15Å |
| 213 | F | 98.3 | Very high | 95.2 | Very high | 27 Ų | 27 | 43.8 Ų | 43.8 | 12% | 0.118 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 162.4 | 155.7 | 76.3 | -106.8 | 0 | 0 | 0 | 110.1 | N166 Q187 V188 E189 C190 S215 I272 F310 F312 | N166-F213 VanDerWaalsContact OD1-CE1 3.23Å; N166-F213 WeakPolarHBondContact OD1-CE1 3.42Å; N166-F213 VanDerWaalsContact OD1-CZ 3.32Å; N166-F213 WeakPolarHBondContact OD1-CZ 3.48Å; Q187-F213 HydrophobicContact CG-CD1 4.22Å; V188-F213 VanDerWaalsContact CA-CE1 3.49Å; V188-F213 PolarHBondContact O-N 3.29Å; E189-F213 WeakPolarHBondContact CA-O 3.45Å; E189-F213 HydrophobicContact CB-CD2 4.18Å; E189-F213 HydrophobicContact CB-CE1 4.39Å; E189-F213 HydrophobicContact CB-CE2 3.54Å; E189-F213 HydrophobicContact CB-CZ 3.66Å; E189-F213 HydrophobicContact CG-CE2 4.21Å; C190-F213 PolarHBondContact N-O 3.05Å; F213-S215 PolarHBondContact O-N 2.59Å; F213-I272 HydrophobicContact CB-CD1 4.07Å; F213-I272 HydrophobicContact CB-CG1 4.41Å; F213-F310 HydrophobicContact CD2-CD2 4.35Å; F213-F310 HydrophobicContact CD2-CE2 4.13Å; F213-F310 HydrophobicContact CD2-CZ 4.31Å; F213-F310 HydrophobicContact CE2-CB 4.34Å; F213-F310 HydrophobicContact CE2-CD1 4.09Å; F213-F310 AromaticContact CE2-CD2 3.63Å; F213-F310 HydrophobicContact CE2-CD2 3.63Å; F213-F310 HydrophobicContact CE2-CE1 4.27Å; F213-F310 AromaticContact CE2-CE2 3.85Å; F213-F310 HydrophobicContact CE2-CE2 3.85Å; F213-F310 AromaticContact CE2-CG 3.75Å; F213-F310 HydrophobicContact CE2-CG 3.75Å; F213-F310 HydrophobicContact CE2-CZ 4.16Å; F213-F310 HydrophobicContact CZ-CG 4.44Å; F213-F312 HydrophobicContact CZ-CE2 4.37Å; F213-F312 HydrophobicContact CZ-CZ 4.39Å |
| 214 | G | 96.8 | Very high | 94.4 | Very high | 11 Ų | 11 | 45.7 Ų | 45.7 | 11% | 0.113 | 23% | 0.233 | C | C | . | . | S | Bend | trans | 65.6 | 18.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | H191 L216 G217 S218 | H191-G214 PolarHBondContact CD2-O 3.37Å; G214-L216 PolarHBondContact O-N 3.23Å; G214-G217 WeakPolarHBondContact O-CA 3.43Å; G214-G217 PolarHBondContact O-N 3.12Å; G214-S218 VanDerWaalsContact CA-OG 3.3Å; G214-S218 WeakPolarHBondContact CA-OG 3.4Å |
| 215 | S | 98.1 | Very high | 93.5 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -23.8 | -177.4 | 52.6 | 0 | 0 | 0 | 0 | 115 | C190 F213 L261 | C190-S215 WeakPolarHBondContact O-CA 3.46Å; F213-S215 PolarHBondContact O-N 2.59Å; S215-L261 VanDerWaalsContact OG-CD2 3.26Å; S215-L261 WeakPolarHBondContact OG-CD2 3.31Å |
| 216 | L | 97.7 | Very high | 92.6 | Very high | 25 Ų | 25 | 38.4 Ų | 38.4 | 13% | 0.131 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 14.2 | 177.1 | -55.1 | -177.6 | 0 | 0 | 0 | 113.1 | G214 S218 L240 A257 L260 L261 P273 | G214-L216 PolarHBondContact O-N 3.23Å; L216-S218 PolarHBondContact O-N 3.25Å; L216-L240 HydrophobicContact CB-CD1 4.46Å; L216-L240 HydrophobicContact CD2-CD2 4.36Å; L216-A257 HydrophobicContact CD1-CB 4.36Å; L216-A257 HydrophobicContact CD2-CB 3.92Å; L216-L260 HydrophobicContact CD2-CB 4.07Å; L216-L260 HydrophobicContact CD2-CD1 4.06Å; L216-L261 HydrophobicContact CD2-CD1 4.33Å; L216-L261 HydrophobicContact CD2-CD2 4.02Å; L216-L261 HydrophobicContact CD2-CG 3.88Å; L216-L261 HydrophobicContact CG-CD2 4.39Å; L216-P273 HydrophobicContact CD1-CB 4.13Å |
| 217 | G | 94.6 | Very high | 91.8 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 4% | 0.041 | 20% | 0.204 | C | C | . | . | trans | 74.7 | 6.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115 | G214 R221 | G214-G217 WeakPolarHBondContact O-CA 3.43Å; G214-G217 PolarHBondContact O-N 3.12Å; G217-R221 PolarHBondContact O-NH1 3.28Å | ||
| 218 | S | 92.3 | Very high | 91 | Very high | 25 Ų | 25 | 38.1 Ų | 38.1 | 18% | 0.175 | 20% | 0.2 | C | C | . | . | trans | 46.6 | 57.6 | 176.8 | -70.7 | 0 | 0 | 0 | 0 | 114.7 | G214 L216 G220 R221 F310 | G214-S218 VanDerWaalsContact CA-OG 3.3Å; G214-S218 WeakPolarHBondContact CA-OG 3.4Å; L216-S218 PolarHBondContact O-N 3.25Å; S218-G220 PolarHBondContact O-N 3.14Å; S218-G220 VanDerWaalsContact O-N 3.1Å; S218-R221 VanDerWaalsContact O-CB 3.32Å; S218-R221 WeakPolarHBondContact O-CB 3.1Å; S218-R221 WeakPolarHBondContact O-CD 3.3Å; S218-R221 VanDerWaalsContact O-CG 3.24Å; S218-R221 WeakPolarHBondContact O-CG 3.44Å; S218-R221 PolarHBondContact O-N 3.45Å; S218-R221 PolarHBondContact O-NH1 3.43Å; S218-F310 WeakPolarHBondContact OG-CZ 3.28Å | ||
| 219 | P | 88.1 | Confident | 90 | Very high | 75 Ų | 75 | 40.3 Ų | 40.3 | 49% | 0.487 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -57.8 | -29.9 | -177.7 | 22.9 | -33.9 | 0 | 0 | 0 | 113.3 | R221 | P219-R221 VanDerWaalsContact C-N 3.27Å; P219-R221 PolarHBondContact O-N 2.95Å |
| 220 | G | 86.9 | Confident | 89 | Confident | 33 Ų | 33 | 42 Ų | 42 | 34% | 0.34 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -71.4 | -12.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | S218 R222 F223 | S218-G220 PolarHBondContact O-N 3.14Å; S218-G220 VanDerWaalsContact O-N 3.1Å; G220-R222 PolarHBondContact O-N 2.83Å; G220-R222 VanDerWaalsContact O-N 3.16Å; G220-F223 WeakPolarHBondContact O-CD2 3.28Å; G220-F223 PolarHBondContact O-N 3.01Å |
| 221 | R | 89.8 | Confident | 88.4 | Confident | 17 Ų | 17 | 43 Ų | 43 | 6% | 0.064 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -64.5 | -20.6 | -177.7 | 84.5 | -163.3 | 169.8 | -60.8 | 0.7 | 113 | W22 G217 S218 P219 F223 H224 A227 F233 E236 | W22-R221 HydrophobicContact CH2-CB 3.89Å; W22-R221 HydrophobicContact CZ3-CB 4.06Å; G217-R221 PolarHBondContact O-NH1 3.28Å; S218-R221 VanDerWaalsContact O-CB 3.32Å; S218-R221 WeakPolarHBondContact O-CB 3.1Å; S218-R221 WeakPolarHBondContact O-CD 3.3Å; S218-R221 VanDerWaalsContact O-CG 3.24Å; S218-R221 WeakPolarHBondContact O-CG 3.44Å; S218-R221 PolarHBondContact O-N 3.45Å; S218-R221 PolarHBondContact O-NH1 3.43Å; P219-R221 VanDerWaalsContact C-N 3.27Å; P219-R221 PolarHBondContact O-N 2.95Å; R221-F223 PolarHBondContact O-N 3.14Å; R221-H224 PolarHBondContact O-N 2.84Å; R221-A227 HydrophobicContact CB-CB 3.62Å; R221-A227 HydrophobicContact CG-CB 3.79Å; R221-F233 HydrophobicContact CG-CE1 3.66Å; R221-F233 HydrophobicContact CG-CZ 4.17Å; R221-F233 VanDerWaalsContact CZ-CE1 3.44Å; R221-E236 IonicContact CZ-OE2 3.11Å; R221-E236 IonicContact NE-OE2 3.11Å; R221-E236 IonicContact NH2-OE2 3.76Å; R221-E236 PolarHBondContact NH2-OE2 3.3Å |
| 222 | R | 86.9 | Confident | 87.8 | Confident | 114 Ų | 114 | 46 Ų | 46 | 43% | 0.43 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -58.9 | -16.3 | -179.2 | 76.9 | -175.2 | -49.6 | 177.2 | 9.6 | 114.4 | G220 F233 D234 | G220-R222 PolarHBondContact O-N 2.83Å; G220-R222 VanDerWaalsContact O-N 3.16Å; R222-F233 VanDerWaalsContact CA-CZ 3.49Å; R222-F233 HydrophobicContact CB-CD1 3.67Å; R222-F233 HydrophobicContact CB-CD2 4.27Å; R222-F233 HydrophobicContact CB-CE1 3.61Å; R222-F233 HydrophobicContact CB-CE2 4.24Å; R222-F233 HydrophobicContact CB-CG 4.01Å; R222-F233 HydrophobicContact CB-CZ 3.93Å; R222-D234 IonicContact NH2-OD1 3.96Å |
| 223 | F | 83.2 | Confident | 87.2 | Confident | 169 Ų | 169 | 48.1 Ų | 48.1 | 74% | 0.741 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -100.8 | 10.1 | 178.8 | -52.2 | -65.9 | 0 | 0 | 0 | 113.3 | G220 R221 | G220-F223 WeakPolarHBondContact O-CD2 3.28Å; G220-F223 PolarHBondContact O-N 3.01Å; R221-F223 PolarHBondContact O-N 3.14Å |
| 224 | H | 83.5 | Confident | 86.7 | Confident | 40 Ų | 40 | 53.7 Ų | 53.7 | 19% | 0.185 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -121.4 | 125.2 | -176 | -169.6 | -65.5 | 0 | 0 | 0 | 111 | W22 Y49 R221 L226 A227 Q228 | W22-H224 AromaticContact CE2-CD2 3.75Å; W22-H224 AromaticContact CE2-NE2 3.89Å; W22-H224 HydrophobicContact CZ2-CB 4.03Å; W22-H224 AromaticContact CZ2-CD2 3.67Å; W22-H224 AromaticContact CZ2-CG 3.57Å; W22-H224 AromaticContact CZ2-ND1 3.83Å; W22-H224 AromaticContact CZ2-NE2 3.96Å; W22-H224 AromaticContact NE1-CD2 3.4Å; W22-H224 PolarHBondContact NE1-CD2 3.43Å; W22-H224 AromaticContact NE1-CE1 3.99Å; W22-H224 AromaticContact NE1-NE2 3.23Å; W22-H224 PolarHBondContact NE1-NE2 2.96Å; Y49-H224 AromaticContact CE1-CE1 3.75Å; Y49-H224 AromaticContact CE1-NE2 3.81Å; Y49-H224 PolarHBondContact OH-CE1 3.3Å; R221-H224 PolarHBondContact O-N 2.84Å; H224-L226 PolarHBondContact ND1-N 3.43Å; H224-L226 PolarHBondContact O-N 3.04Å; H224-A227 PolarHBondContact O-N 3.21Å; H224-Q228 WeakPolarHBondContact O-CG 3.16Å; H224-Q228 PolarHBondContact O-N 3.17Å |
| 225 | D | 78.2 | Confident | 86.3 | Confident | 104 Ų | 104 | 60.4 Ų | 60.4 | 56% | 0.556 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -51 | -50.4 | -172.6 | -70.2 | -18.6 | 0 | 0 | 0 | 113.7 | A227 Q228 | D225-A227 VanDerWaalsContact C-N 3.26Å; D225-A227 PolarHBondContact O-N 2.96Å; D225-Q228 PolarHBondContact O-N 3.23Å; D225-Q228 VanDerWaalsContact O-N 3.11Å |
| 226 | L | 79 | Confident | 85.9 | Confident | 30 Ų | 30 | 61 Ų | 61 | 16% | 0.157 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -53.9 | -40.9 | 177.3 | -88.2 | 174.8 | 0 | 0 | 0 | 113.8 | Y49 I129 F130 H224 Q228 I229 | Y49-L226 HydrophobicContact CE1-CD1 3.51Å; Y49-L226 HydrophobicContact CE2-CD1 4.25Å; Y49-L226 WeakPolarHBondContact OH-CD1 3.28Å; I129-L226 HydrophobicContact CD1-CD2 4.28Å; F130-L226 HydrophobicContact CE1-CD2 4.28Å; F130-L226 HydrophobicContact CE2-CD2 4.08Å; F130-L226 HydrophobicContact CE2-CG 4.06Å; F130-L226 HydrophobicContact CZ-CD2 3.4Å; F130-L226 HydrophobicContact CZ-CG 3.77Å; H224-L226 PolarHBondContact ND1-N 3.43Å; H224-L226 PolarHBondContact O-N 3.04Å; L226-Q228 VanDerWaalsContact C-N 3.29Å; L226-I229 HydrophobicContact CD2-CD1 4.35Å; L226-I229 PolarHBondContact O-N 3.49Å |
| 227 | A | 81.5 | Confident | 85.7 | Confident | 6 Ų | 6 | 61.7 Ų | 61.7 | 5% | 0.05 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -84 | -9.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | W22 R221 H224 D225 I229 A231 F233 | W22-A227 HydrophobicContact CH2-CB 4Å; R221-A227 HydrophobicContact CB-CB 3.62Å; R221-A227 HydrophobicContact CG-CB 3.79Å; H224-A227 PolarHBondContact O-N 3.21Å; D225-A227 VanDerWaalsContact C-N 3.26Å; D225-A227 PolarHBondContact O-N 2.96Å; A227-I229 VanDerWaalsContact C-N 3.35Å; A227-A231 WeakPolarHBondContact O-CB 3.45Å; A227-F233 WeakPolarHBondContact O-CZ 3.46Å |
| 228 | Q | 81.4 | Confident | 85.7 | Confident | 88 Ų | 88 | 64.7 Ų | 64.7 | 41% | 0.411 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -82 | -17 | 172 | -65.9 | 177.8 | 70 | 0 | 0 | 112 | H224 D225 L226 G230 A231 F233 | H224-Q228 WeakPolarHBondContact O-CG 3.16Å; H224-Q228 PolarHBondContact O-N 3.17Å; D225-Q228 PolarHBondContact O-N 3.23Å; D225-Q228 VanDerWaalsContact O-N 3.11Å; L226-Q228 VanDerWaalsContact C-N 3.29Å; Q228-G230 PolarHBondContact O-N 3.48Å; Q228-G230 VanDerWaalsContact O-N 3.14Å; Q228-A231 PolarHBondContact O-N 3.5Å; Q228-F233 HydrophobicContact CB-CE2 4.28Å; Q228-F233 HydrophobicContact CG-CE2 3.87Å; Q228-F233 HydrophobicContact CG-CZ 4.24Å |
| 229 | I | 78.3 | Confident | 85.9 | Confident | 55 Ų | 55 | 63.6 Ų | 63.6 | 28% | 0.282 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | 116.8 | -178.3 | -56.7 | 170.3 | 0 | 0 | 0 | 110.1 | F130 L226 A227 A231 P313 | F130-I229 HydrophobicContact CE1-CD1 3.83Å; F130-I229 HydrophobicContact CZ-CD1 4.05Å; L226-I229 HydrophobicContact CD2-CD1 4.35Å; L226-I229 PolarHBondContact O-N 3.49Å; A227-I229 VanDerWaalsContact C-N 3.35Å; I229-A231 PolarHBondContact O-N 2.98Å; I229-P313 HydrophobicContact CB-CG 4.44Å; I229-P313 HydrophobicContact CD1-CG 4.07Å; I229-P313 HydrophobicContact CG2-CB 4.14Å; I229-P313 HydrophobicContact CG2-CG 3.74Å |
| 230 | G | 78.4 | Confident | 86.4 | Confident | 53 Ų | 53 | 61.8 Ų | 61.8 | 55% | 0.546 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.5 | 7.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q228 K311 | Q228-G230 PolarHBondContact O-N 3.48Å; Q228-G230 VanDerWaalsContact O-N 3.14Å; G230-K311 WeakPolarHBondContact O-CD 3.47Å; G230-K311 PolarHBondContact O-NZ 2.83Å |
| 231 | A | 84.9 | Confident | 86.9 | Confident | 23 Ų | 23 | 65.6 Ų | 65.6 | 19% | 0.19 | 34% | 0.338 | C | S | . | . | trans | -89.3 | 142.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111 | A227 Q228 I229 F233 | A227-A231 WeakPolarHBondContact O-CB 3.45Å; Q228-A231 PolarHBondContact O-N 3.5Å; I229-A231 PolarHBondContact O-N 2.98Å; A231-F233 HydrophobicContact CB-CD2 4.21Å; A231-F233 HydrophobicContact CB-CE1 4.32Å; A231-F233 HydrophobicContact CB-CE2 3.64Å; A231-F233 HydrophobicContact CB-CZ 3.7Å | ||
| 232 | N | 87.1 | Confident | 87.2 | Confident | 64 Ų | 64 | 65.7 Ų | 65.7 | 34% | 0.342 | 34% | 0.34 | S | S | . | . | trans | -122.4 | 81.3 | 168.7 | -173.6 | -5.5 | 0 | 0 | 0 | 109.4 | D234 E235 E236 | N232-D234 PolarHBondContact O-N 3.08Å; N232-E235 HydrophobicContact CB-CB 4.38Å; N232-E235 WeakPolarHBondContact ND2-CG 3.39Å; N232-E235 PolarHBondContact ND2-OE1 3.22Å; N232-E235 VanDerWaalsContact ND2-OE1 3.13Å; N232-E235 PolarHBondContact ND2-OE2 3.44Å; N232-E235 PolarHBondContact O-N 3.44Å; N232-E236 WeakPolarHBondContact O-CG 3.46Å; N232-E236 PolarHBondContact O-N 3.12Å; N232-E236 VanDerWaalsContact O-N 3.07Å | ||
| 233 | F | 86.8 | Confident | 87.8 | Confident | 45 Ų | 45 | 64.7 Ų | 64.7 | 20% | 0.197 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -22.9 | -170.4 | -65.6 | -81 | 0 | 0 | 0 | 115.2 | R221 R222 A227 Q228 A231 E235 | R221-F233 HydrophobicContact CG-CE1 3.66Å; R221-F233 HydrophobicContact CG-CZ 4.17Å; R221-F233 VanDerWaalsContact CZ-CE1 3.44Å; R222-F233 VanDerWaalsContact CA-CZ 3.49Å; R222-F233 HydrophobicContact CB-CD1 3.67Å; R222-F233 HydrophobicContact CB-CD2 4.27Å; R222-F233 HydrophobicContact CB-CE1 3.61Å; R222-F233 HydrophobicContact CB-CE2 4.24Å; R222-F233 HydrophobicContact CB-CG 4.01Å; R222-F233 HydrophobicContact CB-CZ 3.93Å; A227-F233 WeakPolarHBondContact O-CZ 3.46Å; Q228-F233 HydrophobicContact CB-CE2 4.28Å; Q228-F233 HydrophobicContact CG-CE2 3.87Å; Q228-F233 HydrophobicContact CG-CZ 4.24Å; A231-F233 HydrophobicContact CB-CD2 4.21Å; A231-F233 HydrophobicContact CB-CE1 4.32Å; A231-F233 HydrophobicContact CB-CE2 3.64Å; A231-F233 HydrophobicContact CB-CZ 3.7Å; F233-E235 VanDerWaalsContact C-N 3.34Å |
| 234 | D | 86.3 | Confident | 88.5 | Confident | 144 Ų | 144 | 58.5 Ų | 58.5 | 77% | 0.77 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -21.2 | 179 | -61.6 | -30 | 0 | 0 | 0 | 112 | R222 N232 | R222-D234 IonicContact NH2-OD1 3.96Å; N232-D234 PolarHBondContact O-N 3.08Å |
| 235 | E | 88.4 | Confident | 89.2 | Confident | 152 Ų | 152 | 56.6 Ų | 56.6 | 71% | 0.71 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | -15.6 | 176.5 | -69.1 | 176.5 | -175.2 | 0 | 0 | 113 | N232 F233 | N232-E235 HydrophobicContact CB-CB 4.38Å; N232-E235 WeakPolarHBondContact ND2-CG 3.39Å; N232-E235 PolarHBondContact ND2-OE1 3.22Å; N232-E235 VanDerWaalsContact ND2-OE1 3.13Å; N232-E235 PolarHBondContact ND2-OE2 3.44Å; N232-E235 PolarHBondContact O-N 3.44Å; F233-E235 VanDerWaalsContact C-N 3.34Å |
| 236 | E | 90.3 | Very high | 90.2 | Very high | 15 Ų | 15 | 56 Ų | 56 | 7% | 0.07 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -71.7 | 127.6 | -176.5 | -56.3 | -155.3 | 162.8 | 0 | 0 | 111.6 | R221 N232 Q307 F309 | R221-E236 IonicContact CZ-OE2 3.11Å; R221-E236 IonicContact NE-OE2 3.11Å; R221-E236 IonicContact NH2-OE2 3.76Å; R221-E236 PolarHBondContact NH2-OE2 3.3Å; N232-E236 WeakPolarHBondContact O-CG 3.46Å; N232-E236 PolarHBondContact O-N 3.12Å; N232-E236 VanDerWaalsContact O-N 3.07Å; E236-Q307 PolarHBondContact OE1-NE2 2.95Å; E236-F309 HydrophobicContact CB-CE1 4.15Å; E236-F309 WeakPolarHBondContact OE2-CD1 3.44Å |
| 237 | P | 93.1 | Very high | 91.1 | Very high | 39 Ų | 39 | 57.3 Ų | 57.3 | 25% | 0.253 | 32% | 0.322 | S | S | . | . | trans | -67.3 | 149.1 | 175.9 | 30.7 | -34.2 | 0 | 0 | 0 | 109.9 | Y193 T305 F309 | Y193-P237 HydrophobicContact CD2-CB 4.32Å; Y193-P237 HydrophobicContact CD2-CG 3.87Å; Y193-P237 HydrophobicContact CE2-CB 3.58Å; Y193-P237 HydrophobicContact CE2-CG 3.66Å; P237-T305 HydrophobicContact CB-CG2 4.24Å; P237-T305 HydrophobicContact CG-CG2 3.62Å; P237-F309 WeakPolarHBondContact O-CZ 3.45Å | ||
| 238 | V | 95 | Very high | 92 | Very high | 68 Ų | 68 | 57.1 Ų | 57.1 | 41% | 0.412 | 32% | 0.32 | S | S | . | . | trans | -108 | 115.1 | -177.3 | -177.2 | 0 | 0 | 0 | 0 | 109.7 | Y193 L240 E241 D242 | Y193-V238 PolarHBondContact OH-O 2.84Å; V238-L240 HydrophobicContact CG1-CB 4.12Å; V238-L240 PolarHBondContact O-N 2.9Å; V238-E241 HydrophobicContact CB-CB 4.07Å; V238-E241 HydrophobicContact CB-CG 3.89Å; V238-E241 HydrophobicContact CG1-CB 4.38Å; V238-E241 HydrophobicContact CG1-CG 3.83Å; V238-E241 WeakPolarHBondContact O-CA 3.48Å; V238-E241 PolarHBondContact O-N 2.8Å; V238-D242 PolarHBondContact O-N 3.36Å | ||
| 239 | P | 97.3 | Very high | 92.8 | Very high | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.013 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -57.5 | -31.6 | -178.8 | -26.9 | 33.9 | 0 | 0 | 0 | 114.4 | Y193 E241 D242 L260 F309 | Y193-P239 HydrophobicContact CD2-CG 3.71Å; Y193-P239 HydrophobicContact CE2-CB 4.25Å; Y193-P239 HydrophobicContact CE2-CG 3.64Å; Y193-P239 HydrophobicContact CG-CG 4.36Å; P239-E241 PolarHBondContact O-N 3.01Å; P239-D242 WeakPolarHBondContact O-CB 3.45Å; P239-D242 PolarHBondContact O-N 3.31Å; P239-L260 HydrophobicContact CB-CD1 3.99Å; P239-L260 HydrophobicContact CB-CD2 4.38Å; P239-F309 HydrophobicContact CG-CE2 3.91Å; P239-F309 HydrophobicContact CG-CZ 4.25Å |
| 240 | L | 97.4 | Very high | 93.7 | Very high | 37 Ų | 37 | 54.3 Ų | 54.3 | 19% | 0.194 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -67.2 | -22.7 | 175.5 | -70.9 | 165.4 | 0 | 0 | 0 | 113 | L216 V238 P256 A257 L260 | L216-L240 HydrophobicContact CB-CD1 4.46Å; L216-L240 HydrophobicContact CD2-CD2 4.36Å; V238-L240 HydrophobicContact CG1-CB 4.12Å; V238-L240 PolarHBondContact O-N 2.9Å; L240-P256 HydrophobicContact CD2-CB 4.21Å; L240-A257 HydrophobicContact CD2-CB 3.9Å; L240-L260 HydrophobicContact CD2-CD1 3.73Å; L240-L260 HydrophobicContact CG-CD1 4.06Å |
| 241 | E | 97.1 | Very high | 94.6 | Very high | 113 Ų | 113 | 57 Ų | 57 | 53% | 0.528 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -101.8 | -2.9 | -177.4 | -57.2 | -58.7 | 133.7 | 0 | 0 | 113.2 | V238 P239 K246 | V238-E241 HydrophobicContact CB-CB 4.07Å; V238-E241 HydrophobicContact CB-CG 3.89Å; V238-E241 HydrophobicContact CG1-CB 4.38Å; V238-E241 HydrophobicContact CG1-CG 3.83Å; V238-E241 WeakPolarHBondContact O-CA 3.48Å; V238-E241 PolarHBondContact O-N 2.8Å; P239-E241 PolarHBondContact O-N 3.01Å; E241-K246 PolarHBondContact O-NZ 3.41Å; E241-K246 WeakPolarHBondContact OE2-CE 3.21Å; E241-K246 IonicContact OE2-NZ 2.61Å; E241-K246 PolarHBondContact OE2-NZ 3.29Å |
| 242 | D | 98 | Very high | 95.2 | Very high | 18 Ų | 18 | 58.1 Ų | 58.1 | 10% | 0.096 | 32% | 0.321 | C | S | . | . | trans | -57.7 | 135 | 178.1 | -172.7 | -76.2 | 0 | 0 | 0 | 111 | Y193 V238 P239 V244 V245 K246 | Y193-D242 HydrophobicContact CE1-CB 4.46Å; Y193-D242 WeakPolarHBondContact CE1-OD2 3.25Å; Y193-D242 WeakPolarHBondContact OH-CB 3.38Å; Y193-D242 PolarHBondContact OH-OD2 2.94Å; V238-D242 PolarHBondContact O-N 3.36Å; P239-D242 WeakPolarHBondContact O-CB 3.45Å; P239-D242 PolarHBondContact O-N 3.31Å; D242-V244 VanDerWaalsContact C-N 3.33Å; D242-V244 PolarHBondContact O-N 2.94Å; D242-V244 WeakPolarHBondContact OD1-CA 3.48Å; D242-V244 VanDerWaalsContact OD1-CB 3.24Å; D242-V244 WeakPolarHBondContact OD1-CB 3.26Å; D242-V244 PolarHBondContact OD1-N 3.32Å; D242-V245 HydrophobicContact CB-CB 4.07Å; D242-V245 HydrophobicContact CB-CG2 3.78Å; D242-V245 PolarHBondContact O-N 2.96Å; D242-V245 PolarHBondContact OD1-N 2.76Å; D242-K246 PolarHBondContact O-N 2.88Å | ||
| 243 | S | 98.1 | Very high | 95.7 | Very high | 94 Ų | 94 | 58.4 Ų | 58.4 | 66% | 0.657 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -65.2 | -35.4 | -175.4 | 55.2 | 0 | 0 | 0 | 0 | 112.8 | S247 | S243-S247 WeakPolarHBondContact O-CB 3.43Å; S243-S247 PolarHBondContact O-N 3.43Å |
| 244 | V | 98.6 | Very high | 96.2 | Very high | 39 Ų | 39 | 58.3 Ų | 58.3 | 24% | 0.236 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.6 | -46.1 | 175.8 | 178.6 | 0 | 0 | 0 | 0 | 109.6 | D242 K246 S247 I248 L299 L300 I303 | D242-V244 VanDerWaalsContact C-N 3.33Å; D242-V244 PolarHBondContact O-N 2.94Å; D242-V244 WeakPolarHBondContact OD1-CA 3.48Å; D242-V244 VanDerWaalsContact OD1-CB 3.24Å; D242-V244 WeakPolarHBondContact OD1-CB 3.26Å; D242-V244 PolarHBondContact OD1-N 3.32Å; V244-K246 PolarHBondContact O-N 3.17Å; V244-S247 PolarHBondContact O-N 2.87Å; V244-I248 HydrophobicContact CG1-CD1 3.85Å; V244-I248 WeakPolarHBondContact O-CG1 3.35Å; V244-I248 PolarHBondContact O-N 2.75Å; V244-L299 HydrophobicContact CG1-CB 3.81Å; V244-L300 HydrophobicContact CG1-CD2 4.45Å; V244-I303 HydrophobicContact CB-CD1 4.23Å; V244-I303 HydrophobicContact CB-CG1 4.11Å; V244-I303 HydrophobicContact CG1-CD1 4.41Å; V244-I303 HydrophobicContact CG1-CG1 4.29Å; V244-I303 HydrophobicContact CG2-CG1 4.26Å |
| 245 | V | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.9 | -46.8 | 178.7 | 178.3 | 0 | 0 | 0 | 0 | 110.7 | D242 I248 A249 P256 I259 L260 L300 I303 | D242-V245 HydrophobicContact CB-CB 4.07Å; D242-V245 HydrophobicContact CB-CG2 3.78Å; D242-V245 PolarHBondContact O-N 2.96Å; D242-V245 PolarHBondContact OD1-N 2.76Å; V245-I248 PolarHBondContact O-N 3.42Å; V245-A249 WeakPolarHBondContact O-CB 3.41Å; V245-A249 PolarHBondContact O-N 2.86Å; V245-P256 HydrophobicContact CG1-CB 3.93Å; V245-I259 HydrophobicContact CG1-CB 4.34Å; V245-I259 HydrophobicContact CG1-CG2 4.45Å; V245-L260 HydrophobicContact CG1-CD2 3.95Å; V245-L260 HydrophobicContact CG1-CG 4Å; V245-L260 HydrophobicContact CG2-CD2 3.71Å; V245-L300 HydrophobicContact CG2-CD2 3.82Å; V245-I303 HydrophobicContact CG2-CD1 4.09Å |
| 246 | K | 98.7 | Very high | 97.1 | Very high | 90 Ų | 90 | 48.8 Ų | 48.8 | 39% | 0.391 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63 | -40.5 | 177.4 | -78.7 | 176 | 168 | 164.8 | 0 | 113 | E241 D242 V244 A249 A250 P256 | E241-K246 PolarHBondContact O-NZ 3.41Å; E241-K246 WeakPolarHBondContact OE2-CE 3.21Å; E241-K246 IonicContact OE2-NZ 2.61Å; E241-K246 PolarHBondContact OE2-NZ 3.29Å; D242-K246 PolarHBondContact O-N 2.88Å; V244-K246 PolarHBondContact O-N 3.17Å; K246-A249 WeakPolarHBondContact O-CB 3.33Å; K246-A249 PolarHBondContact O-N 2.95Å; K246-A250 PolarHBondContact O-N 2.99Å; K246-P256 HydrophobicContact CG-CG 4.38Å |
| 247 | S | 98.6 | Very high | 97.5 | Very high | 59 Ų | 59 | 48.9 Ų | 48.9 | 41% | 0.413 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.1 | -50 | 176.9 | -167 | 0 | 0 | 0 | 0 | 111 | S243 V244 A249 A250 E251 | S243-S247 WeakPolarHBondContact O-CB 3.43Å; S243-S247 PolarHBondContact O-N 3.43Å; V244-S247 PolarHBondContact O-N 2.87Å; S247-A249 VanDerWaalsContact C-N 3.29Å; S247-A249 PolarHBondContact O-N 3.01Å; S247-A250 PolarHBondContact O-N 3.4Å; S247-E251 WeakPolarHBondContact O-CG 3.17Å; S247-E251 PolarHBondContact O-N 3.33Å; S247-E251 PolarHBondContact OG-OE1 3.09Å |
| 248 | I | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.4 | -38.1 | 178.4 | -65.6 | 168.6 | 0 | 0 | 0 | 110.9 | V244 V245 E251 N252 I259 L292 D296 L299 L300 | V244-I248 HydrophobicContact CG1-CD1 3.85Å; V244-I248 WeakPolarHBondContact O-CG1 3.35Å; V244-I248 PolarHBondContact O-N 2.75Å; V245-I248 PolarHBondContact O-N 3.42Å; I248-E251 PolarHBondContact O-N 2.91Å; I248-N252 WeakPolarHBondContact CG2-ND2 3.42Å; I248-N252 WeakPolarHBondContact O-CB 3.41Å; I248-N252 PolarHBondContact O-N 3.13Å; I248-N252 PolarHBondContact O-ND2 3.07Å; I248-I259 HydrophobicContact CB-CG2 4.18Å; I248-I259 HydrophobicContact CG2-CD1 4.08Å; I248-I259 HydrophobicContact CG2-CG1 4.31Å; I248-I259 HydrophobicContact CG2-CG2 3.67Å; I248-L292 HydrophobicContact CG2-CD2 3.91Å; I248-D296 HydrophobicContact CD1-CB 4.11Å; I248-D296 HydrophobicContact CG1-CB 4.38Å; I248-D296 HydrophobicContact CG2-CB 4.01Å; I248-L299 HydrophobicContact CD1-CB 4.16Å; I248-L300 HydrophobicContact CD1-CD1 4.12Å; I248-L300 HydrophobicContact CD1-CD2 3.9Å; I248-L300 HydrophobicContact CD1-CG 3.65Å |
| 249 | A | 98.5 | Very high | 97.9 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 3% | 0.033 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.1 | -46.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V245 K246 S247 N252 G253 K254 P256 I259 | V245-A249 WeakPolarHBondContact O-CB 3.41Å; V245-A249 PolarHBondContact O-N 2.86Å; K246-A249 WeakPolarHBondContact O-CB 3.33Å; K246-A249 PolarHBondContact O-N 2.95Å; S247-A249 VanDerWaalsContact C-N 3.29Å; S247-A249 PolarHBondContact O-N 3.01Å; A249-N252 PolarHBondContact O-N 2.92Å; A249-G253 PolarHBondContact O-N 3.39Å; A249-K254 CarbonylContact C-O 3.58Å; A249-K254 WeakPolarHBondContact CA-O 3.4Å; A249-K254 VanDerWaalsContact CB-O 3.28Å; A249-K254 WeakPolarHBondContact CB-O 3.3Å; A249-K254 PolarHBondContact O-N 3.11Å; A249-K254 VanDerWaalsContact O-O 3.05Å; A249-P256 HydrophobicContact CB-CG 4.07Å; A249-I259 HydrophobicContact CB-CG1 3.72Å |
| 250 | A | 98.2 | Very high | 98 | Very high | 80 Ų | 80 | 43.8 Ų | 43.8 | 66% | 0.661 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -64.1 | -46.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | K246 S247 N252 G253 | K246-A250 PolarHBondContact O-N 2.99Å; S247-A250 PolarHBondContact O-N 3.4Å; A250-N252 VanDerWaalsContact C-N 3.26Å; A250-N252 PolarHBondContact O-N 3.02Å; A250-G253 PolarHBondContact O-N 3.16Å |
| 251 | E | 97.7 | Very high | 98 | Very high | 109 Ų | 109 | 42 Ų | 42 | 51% | 0.509 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59 | -36.5 | 177.7 | -75 | 177 | -145.6 | 0 | 0 | 112.2 | S247 I248 K295 | S247-E251 WeakPolarHBondContact O-CG 3.17Å; S247-E251 PolarHBondContact O-N 3.33Å; S247-E251 PolarHBondContact OG-OE1 3.09Å; I248-E251 PolarHBondContact O-N 2.91Å; E251-K295 IonicContact OE1-NZ 3.28Å; E251-K295 IonicContact OE2-NZ 3.25Å; E251-K295 PolarHBondContact OE2-NZ 3.25Å; E251-K295 VanDerWaalsContact OE2-NZ 3.11Å |
| 252 | N | 97.1 | Very high | 98.1 | Very high | 48 Ų | 48 | 36.7 Ų | 36.7 | 26% | 0.257 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -91.5 | -5.4 | -179.1 | -76.5 | -92.5 | 0 | 0 | 0 | 114 | I248 A249 A250 K254 I259 D296 | I248-N252 WeakPolarHBondContact CG2-ND2 3.42Å; I248-N252 WeakPolarHBondContact O-CB 3.41Å; I248-N252 PolarHBondContact O-N 3.13Å; I248-N252 PolarHBondContact O-ND2 3.07Å; A249-N252 PolarHBondContact O-N 2.92Å; A250-N252 VanDerWaalsContact C-N 3.26Å; A250-N252 PolarHBondContact O-N 3.02Å; N252-K254 HydrophobicContact CB-CB 4.42Å; N252-K254 HydrophobicContact CB-CG 4.24Å; N252-K254 PolarHBondContact O-N 3.34Å; N252-I259 HydrophobicContact CB-CD1 4.21Å; N252-D296 PolarHBondContact ND2-OD2 3.34Å; N252-D296 VanDerWaalsContact ND2-OD2 3.12Å |
| 253 | G | 96.6 | Very high | 98.1 | Very high | 69 Ų | 69 | 35.9 Ų | 35.9 | 71% | 0.711 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 31.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A249 A250 | A249-G253 PolarHBondContact O-N 3.39Å; A250-G253 PolarHBondContact O-N 3.16Å |
| 254 | K | 96.9 | Very high | 98.1 | Very high | 43 Ų | 43 | 31.4 Ų | 31.4 | 19% | 0.187 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -120.7 | 154.8 | -177.6 | -68.3 | -69 | -179 | 169.8 | 0 | 110.1 | A249 N252 I259 D289 F290 | A249-K254 CarbonylContact C-O 3.58Å; A249-K254 WeakPolarHBondContact CA-O 3.4Å; A249-K254 VanDerWaalsContact CB-O 3.28Å; A249-K254 WeakPolarHBondContact CB-O 3.3Å; A249-K254 PolarHBondContact O-N 3.11Å; A249-K254 VanDerWaalsContact O-O 3.05Å; N252-K254 HydrophobicContact CB-CB 4.42Å; N252-K254 HydrophobicContact CB-CG 4.24Å; N252-K254 PolarHBondContact O-N 3.34Å; K254-I259 HydrophobicContact CB-CD1 3.95Å; K254-D289 VanDerWaalsContact NZ-CG 3.28Å; K254-D289 IonicContact NZ-OD1 3.94Å; K254-D289 PolarHBondContact NZ-OD1 3.46Å; K254-D289 VanDerWaalsContact NZ-OD1 3.17Å; K254-D289 IonicContact NZ-OD2 2.73Å; K254-D289 PolarHBondContact NZ-OD2 2.96Å; K254-F290 HydrophobicContact CD-CD1 4.12Å; K254-F290 HydrophobicContact CD-CE1 4.13Å; K254-F290 HydrophobicContact CD-CG 4.45Å; K254-F290 HydrophobicContact CD-CZ 4.48Å; K254-F290 HydrophobicContact CG-CD1 4.37Å; K254-F290 HydrophobicContact CG-CD2 4.19Å; K254-F290 HydrophobicContact CG-CE1 4.29Å; K254-F290 HydrophobicContact CG-CE2 4.12Å; K254-F290 HydrophobicContact CG-CG 4.32Å; K254-F290 HydrophobicContact CG-CZ 4.16Å |
| 255 | P | 96.7 | Very high | 98.1 | Very high | 58 Ų | 58 | 29.8 Ų | 29.8 | 38% | 0.377 | 19% | 0.19 | S | C | . | . | trans | -70.2 | 152.4 | 174.2 | 29.3 | -33.6 | 0 | 0 | 0 | 110.9 | A257 S258 I259 | P255-A257 PolarHBondContact O-N 2.84Å; P255-A257 VanDerWaalsContact O-N 3.1Å; P255-S258 VanDerWaalsContact CG-OG 3.3Å; P255-S258 WeakPolarHBondContact CG-OG 3.13Å; P255-S258 WeakPolarHBondContact O-CB 3.4Å; P255-S258 PolarHBondContact O-N 3.24Å; P255-I259 PolarHBondContact O-N 2.97Å | ||
| 256 | P | 98.1 | Very high | 98 | Very high | 38 Ų | 38 | 33 Ų | 33 | 25% | 0.247 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -50.1 | -38.3 | 177.2 | -32 | 37.3 | 0 | 0 | 0 | 114.2 | L240 V245 K246 A249 S258 I259 L260 | L240-P256 HydrophobicContact CD2-CB 4.21Å; V245-P256 HydrophobicContact CG1-CB 3.93Å; K246-P256 HydrophobicContact CG-CG 4.38Å; A249-P256 HydrophobicContact CB-CG 4.07Å; P256-S258 VanDerWaalsContact C-N 3.32Å; P256-S258 PolarHBondContact O-N 3.1Å; P256-I259 WeakPolarHBondContact O-CB 3.35Å; P256-I259 PolarHBondContact O-N 2.92Å; P256-I259 VanDerWaalsContact O-N 3.14Å; P256-L260 WeakPolarHBondContact O-CG 3.07Å; P256-L260 PolarHBondContact O-N 3.16Å; P256-L260 VanDerWaalsContact O-N 3.08Å |
| 257 | A | 98.3 | Very high | 97.9 | Very high | 17 Ų | 17 | 30.1 Ų | 30.1 | 14% | 0.14 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.7 | -41 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L216 L240 P255 I259 L260 L261 | L216-A257 HydrophobicContact CD1-CB 4.36Å; L216-A257 HydrophobicContact CD2-CB 3.92Å; L240-A257 HydrophobicContact CD2-CB 3.9Å; P255-A257 PolarHBondContact O-N 2.84Å; P255-A257 VanDerWaalsContact O-N 3.1Å; A257-I259 VanDerWaalsContact C-N 3.32Å; A257-I259 PolarHBondContact O-N 3.45Å; A257-L260 PolarHBondContact O-N 3.32Å; A257-L261 VanDerWaalsContact O-CG 3.23Å; A257-L261 WeakPolarHBondContact O-CG 3.42Å; A257-L261 PolarHBondContact O-N 3.28Å |
| 258 | S | 98 | Very high | 97.8 | Very high | 3 Ų | 3 | 31.6 Ų | 31.6 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.9 | -36 | 177.3 | -64.7 | 0 | 0 | 0 | 0 | 111.6 | P255 P256 K262 | P255-S258 VanDerWaalsContact CG-OG 3.3Å; P255-S258 WeakPolarHBondContact CG-OG 3.13Å; P255-S258 WeakPolarHBondContact O-CB 3.4Å; P255-S258 PolarHBondContact O-N 3.24Å; P256-S258 VanDerWaalsContact C-N 3.32Å; P256-S258 PolarHBondContact O-N 3.1Å; S258-K262 WeakPolarHBondContact O-CB 3.45Å; S258-K262 PolarHBondContact O-N 3.38Å |
| 259 | I | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.4 | -49.2 | 176.6 | -54.5 | -51.1 | 0 | 0 | 0 | 110.7 | V245 I248 A249 N252 K254 P255 P256 A257 L261 K262 W263 F290 L292 L300 | V245-I259 HydrophobicContact CG1-CB 4.34Å; V245-I259 HydrophobicContact CG1-CG2 4.45Å; I248-I259 HydrophobicContact CB-CG2 4.18Å; I248-I259 HydrophobicContact CG2-CD1 4.08Å; I248-I259 HydrophobicContact CG2-CG1 4.31Å; I248-I259 HydrophobicContact CG2-CG2 3.67Å; A249-I259 HydrophobicContact CB-CG1 3.72Å; N252-I259 HydrophobicContact CB-CD1 4.21Å; K254-I259 HydrophobicContact CB-CD1 3.95Å; P255-I259 PolarHBondContact O-N 2.97Å; P256-I259 WeakPolarHBondContact O-CB 3.35Å; P256-I259 PolarHBondContact O-N 2.92Å; P256-I259 VanDerWaalsContact O-N 3.14Å; A257-I259 VanDerWaalsContact C-N 3.32Å; A257-I259 PolarHBondContact O-N 3.45Å; I259-L261 PolarHBondContact O-N 3.14Å; I259-K262 PolarHBondContact O-N 2.94Å; I259-W263 WeakPolarHBondContact O-CB 3.41Å; I259-W263 PolarHBondContact O-N 2.94Å; I259-F290 HydrophobicContact CD1-CE2 4.14Å; I259-L292 HydrophobicContact CD1-CD2 3.9Å; I259-L292 HydrophobicContact CG2-CD1 4.36Å; I259-L292 HydrophobicContact CG2-CD2 4.22Å; I259-L300 HydrophobicContact CG2-CD1 3.89Å; I259-L300 HydrophobicContact CG2-CD2 4.35Å |
| 260 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.6 | -46.3 | 178.6 | -66.6 | 179.5 | 0 | 0 | 0 | 112.2 | P192 L216 P239 L240 V245 P256 A257 L264 | P192-L260 HydrophobicContact CG-CD2 3.57Å; L216-L260 HydrophobicContact CD2-CB 4.07Å; L216-L260 HydrophobicContact CD2-CD1 4.06Å; P239-L260 HydrophobicContact CB-CD1 3.99Å; P239-L260 HydrophobicContact CB-CD2 4.38Å; L240-L260 HydrophobicContact CD2-CD1 3.73Å; L240-L260 HydrophobicContact CG-CD1 4.06Å; V245-L260 HydrophobicContact CG1-CD2 3.95Å; V245-L260 HydrophobicContact CG1-CG 4Å; V245-L260 HydrophobicContact CG2-CD2 3.71Å; P256-L260 WeakPolarHBondContact O-CG 3.07Å; P256-L260 PolarHBondContact O-N 3.16Å; P256-L260 VanDerWaalsContact O-N 3.08Å; A257-L260 PolarHBondContact O-N 3.32Å; L260-L264 PolarHBondContact O-N 2.82Å |
| 261 | L | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -69.2 | -41.5 | 179.2 | -63.1 | 170.5 | 0 | 0 | 0 | 111.5 | S215 L216 A257 I259 W263 L264 L265 V271 P273 N284 L287 | S215-L261 VanDerWaalsContact OG-CD2 3.26Å; S215-L261 WeakPolarHBondContact OG-CD2 3.31Å; L216-L261 HydrophobicContact CD2-CD1 4.33Å; L216-L261 HydrophobicContact CD2-CD2 4.02Å; L216-L261 HydrophobicContact CD2-CG 3.88Å; L216-L261 HydrophobicContact CG-CD2 4.39Å; A257-L261 VanDerWaalsContact O-CG 3.23Å; A257-L261 WeakPolarHBondContact O-CG 3.42Å; A257-L261 PolarHBondContact O-N 3.28Å; I259-L261 PolarHBondContact O-N 3.14Å; L261-W263 VanDerWaalsContact C-N 3.32Å; L261-W263 PolarHBondContact O-N 3.13Å; L261-L264 PolarHBondContact O-N 3.18Å; L261-L265 VanDerWaalsContact O-CD1 3.32Å; L261-L265 WeakPolarHBondContact O-CD1 3.32Å; L261-L265 PolarHBondContact O-N 3.3Å; L261-V271 HydrophobicContact CD2-CB 3.87Å; L261-V271 HydrophobicContact CD2-CG1 4.1Å; L261-V271 HydrophobicContact CD2-CG2 3.92Å; L261-P273 HydrophobicContact CD1-CB 4.24Å; L261-P273 HydrophobicContact CD1-CG 4.01Å; L261-P273 HydrophobicContact CD2-CB 3.99Å; L261-P273 HydrophobicContact CD2-CG 4.02Å; L261-N284 HydrophobicContact CD1-CB 4Å; L261-L287 HydrophobicContact CB-CD1 3.59Å; L261-L287 HydrophobicContact CB-CD2 3.89Å; L261-L287 HydrophobicContact CB-CG 4.41Å; L261-L287 HydrophobicContact CD1-CD1 4.2Å; L261-L287 HydrophobicContact CD1-CD2 4.45Å; L261-L287 HydrophobicContact CG-CD1 4.48Å |
| 262 | K | 98 | Very high | 97.9 | Very high | 1 Ų | 1 | 23 Ų | 23 | 0% | 0.004 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.2 | -37.3 | -179.3 | -175.5 | 59.3 | 172.3 | -167.7 | 0 | 112.6 | S258 I259 L264 L265 Q266 L287 F290 L292 | S258-K262 WeakPolarHBondContact O-CB 3.45Å; S258-K262 PolarHBondContact O-N 3.38Å; I259-K262 PolarHBondContact O-N 2.94Å; K262-L264 VanDerWaalsContact C-N 3.31Å; K262-L264 PolarHBondContact O-N 2.97Å; K262-L265 HydrophobicContact CD-CB 4.42Å; K262-L265 PolarHBondContact O-N 3.17Å; K262-Q266 HydrophobicContact CD-CG 4.47Å; K262-Q266 PolarHBondContact O-N 3.27Å; K262-L287 WeakPolarHBondContact CD-O 3.45Å; K262-L287 PolarHBondContact NZ-O 3.24Å; K262-F290 HydrophobicContact CB-CE1 4.34Å; K262-F290 HydrophobicContact CB-CE2 3.88Å; K262-F290 HydrophobicContact CB-CZ 3.51Å; K262-F290 HydrophobicContact CD-CZ 4.34Å; K262-F290 WeakPolarHBondContact CE-O 3.5Å; K262-F290 HydrophobicContact CG-CD2 4.37Å; K262-F290 HydrophobicContact CG-CE1 4.37Å; K262-F290 HydrophobicContact CG-CE2 3.71Å; K262-F290 HydrophobicContact CG-CZ 3.71Å; K262-F290 PolarHBondContact NZ-O 3.39Å; K262-L292 HydrophobicContact CB-CD1 4.21Å; K262-L292 HydrophobicContact CB-CG 4.31Å; K262-L292 HydrophobicContact CG-CD1 4.16Å; K262-L292 HydrophobicContact CG-CG 3.86Å |
| 263 | W | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57.6 | -43.2 | 173.9 | 170.6 | 74.9 | 0 | 0 | 0 | 112.2 | P192 P195 F197 I259 L261 R267 L292 L300 N301 | P192-W263 HydrophobicContact CG-CE3 4.14Å; P192-W263 HydrophobicContact CG-CH2 4.4Å; P192-W263 HydrophobicContact CG-CZ3 4.05Å; P195-W263 HydrophobicContact CB-CH2 3.9Å; P195-W263 HydrophobicContact CB-CZ2 4.24Å; F197-W263 HydrophobicContact CE1-CZ2 4.19Å; F197-W263 HydrophobicContact CZ-CZ2 4.26Å; I259-W263 WeakPolarHBondContact O-CB 3.41Å; I259-W263 PolarHBondContact O-N 2.94Å; L261-W263 VanDerWaalsContact C-N 3.32Å; L261-W263 PolarHBondContact O-N 3.13Å; W263-R267 WeakPolarHBondContact O-CG 3.26Å; W263-R267 PolarHBondContact O-N 3.3Å; W263-L292 HydrophobicContact CB-CD1 3.92Å; W263-L300 HydrophobicContact CB-CD1 3.76Å; W263-L300 HydrophobicContact CG-CB 4.19Å; W263-L300 HydrophobicContact CG-CD1 3.88Å; W263-N301 PolarHBondContact NE1-OD1 2.98Å |
| 264 | L | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.6 | -46.7 | 174 | -66.9 | 166.1 | 0 | 0 | 0 | 111.4 | C190 A212 L260 L261 K262 Q266 R267 N268 I269 V271 | C190-L264 HydrophobicContact CB-CD2 4.28Å; C190-L264 VanDerWaalsContact SG-CD2 3.54Å; A212-L264 HydrophobicContact CB-CD1 3.74Å; A212-L264 HydrophobicContact CB-CD2 4.19Å; A212-L264 HydrophobicContact CB-CG 4.49Å; L260-L264 PolarHBondContact O-N 2.82Å; L261-L264 PolarHBondContact O-N 3.18Å; K262-L264 VanDerWaalsContact C-N 3.31Å; K262-L264 PolarHBondContact O-N 2.97Å; L264-Q266 VanDerWaalsContact C-N 3.34Å; L264-Q266 PolarHBondContact O-N 2.89Å; L264-R267 CarbonylContact O-C 3.52Å; L264-R267 WeakPolarHBondContact O-CA 2.91Å; L264-R267 WeakPolarHBondContact O-CB 3.25Å; L264-R267 PolarHBondContact O-N 2.93Å; L264-N268 PolarHBondContact O-N 3.1Å; L264-I269 CarbonylContact C-O 3.59Å; L264-I269 HydrophobicContact CB-CB 4.19Å; L264-I269 HydrophobicContact CB-CG2 4.34Å; L264-I269 HydrophobicContact CD2-CB 4.45Å; L264-I269 HydrophobicContact CD2-CD1 4.02Å; L264-I269 HydrophobicContact CD2-CG2 4.2Å; L264-I269 WeakPolarHBondContact O-CB 3.4Å; L264-I269 PolarHBondContact O-N 3.16Å; L264-V271 HydrophobicContact CB-CG1 3.57Å; L264-V271 HydrophobicContact CD1-CG1 3.62Å; L264-V271 HydrophobicContact CG-CG1 4.24Å |
| 265 | L | 97.7 | Very high | 97.9 | Very high | 5 Ų | 5 | 19.5 Ų | 19.5 | 3% | 0.026 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58.3 | -43 | 179 | -97.4 | 65.8 | 0 | 0 | 0 | 112.6 | L16 V17 L261 K262 R267 N268 V271 L287 F288 | L16-L265 HydrophobicContact CB-CG 4.4Å; V17-L265 HydrophobicContact CG2-CD1 4.23Å; V17-L265 HydrophobicContact CG2-CD2 3.88Å; L261-L265 VanDerWaalsContact O-CD1 3.32Å; L261-L265 WeakPolarHBondContact O-CD1 3.32Å; L261-L265 PolarHBondContact O-N 3.3Å; K262-L265 HydrophobicContact CD-CB 4.42Å; K262-L265 PolarHBondContact O-N 3.17Å; L265-R267 PolarHBondContact O-N 3.41Å; L265-N268 WeakPolarHBondContact O-CA 3.38Å; L265-N268 PolarHBondContact O-N 3.45Å; L265-V271 HydrophobicContact CD1-CB 4.19Å; L265-V271 HydrophobicContact CD1-CG1 3.68Å; L265-V271 HydrophobicContact CD1-CG2 3.49Å; L265-V271 VanDerWaalsContact CD1-CG2 3.49Å; L265-L287 HydrophobicContact CD1-CD1 4.11Å; L265-L287 HydrophobicContact CD2-CB 3.69Å; L265-L287 HydrophobicContact CD2-CD1 3.78Å; L265-L287 HydrophobicContact CD2-CG 4.41Å; L265-F288 HydrophobicContact CD2-CE1 4.07Å; L265-F288 HydrophobicContact CD2-CZ 4.33Å |
| 266 | Q | 97 | Very high | 97.9 | Very high | 68 Ų | 68 | 19.2 Ų | 19.2 | 32% | 0.318 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -69.1 | -17.2 | 177.8 | -87.3 | -179.6 | -126.5 | 0 | 0 | 113.6 | K262 L264 L292 M297 | K262-Q266 HydrophobicContact CD-CG 4.47Å; K262-Q266 PolarHBondContact O-N 3.27Å; L264-Q266 VanDerWaalsContact C-N 3.34Å; L264-Q266 PolarHBondContact O-N 2.89Å; Q266-L292 PolarHBondContact NE2-O 3.4Å; Q266-M297 HydrophobicContact CB-CE 3.81Å; Q266-M297 HydrophobicContact CB-SD 4Å |
| 267 | R | 97.1 | Very high | 97.8 | Very high | 30 Ų | 30 | 19.6 Ų | 19.6 | 11% | 0.113 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 6.8 | 168.4 | -65.8 | 170.5 | 59 | -158.6 | -4 | 112.7 | P195 H200 W263 L264 L265 I269 M297 | P195-R267 PolarHBondContact O-NH1 3.25Å; P195-R267 PolarHBondContact O-NH2 3.11Å; H200-R267 PolarHBondContact CE1-O 3.2Å; H200-R267 PolarHBondContact NE2-O 2.98Å; W263-R267 WeakPolarHBondContact O-CG 3.26Å; W263-R267 PolarHBondContact O-N 3.3Å; L264-R267 CarbonylContact O-C 3.52Å; L264-R267 WeakPolarHBondContact O-CA 2.91Å; L264-R267 WeakPolarHBondContact O-CB 3.25Å; L264-R267 PolarHBondContact O-N 2.93Å; L265-R267 PolarHBondContact O-N 3.41Å; R267-I269 VanDerWaalsContact C-N 3.26Å; R267-I269 HydrophobicContact CB-CD1 3.86Å; R267-I269 HydrophobicContact CB-CG1 4.06Å; R267-I269 PolarHBondContact O-N 3.21Å; R267-M297 HydrophobicContact CG-CE 4Å |
| 268 | N | 96.9 | Very high | 97.8 | Very high | 90 Ų | 90 | 23 Ų | 23 | 48% | 0.481 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 32 | -174 | -160 | 54.8 | 0 | 0 | 0 | 113.3 | V6 L264 L265 | V6-N268 VanDerWaalsContact CG1-OD1 3.24Å; V6-N268 WeakPolarHBondContact CG1-OD1 3.33Å; L264-N268 PolarHBondContact O-N 3.1Å; L265-N268 WeakPolarHBondContact O-CA 3.38Å; L265-N268 PolarHBondContact O-N 3.45Å |
| 269 | I | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 124.6 | 176.8 | -60.6 | 169.9 | 0 | 0 | 0 | 108.6 | H200 F210 A212 L264 R267 | H200-I269 WeakPolarHBondContact NE2-CG1 3.49Å; F210-I269 HydrophobicContact CB-CG1 4.22Å; F210-I269 HydrophobicContact CB-CG2 4.43Å; F210-I269 HydrophobicContact CD1-CD1 4.44Å; F210-I269 HydrophobicContact CD1-CG1 4.28Å; F210-I269 HydrophobicContact CD1-CG2 3.86Å; F210-I269 HydrophobicContact CG-CG1 4.49Å; A212-I269 HydrophobicContact CB-CG2 3.71Å; L264-I269 CarbonylContact C-O 3.59Å; L264-I269 HydrophobicContact CB-CB 4.19Å; L264-I269 HydrophobicContact CB-CG2 4.34Å; L264-I269 HydrophobicContact CD2-CB 4.45Å; L264-I269 HydrophobicContact CD2-CD1 4.02Å; L264-I269 HydrophobicContact CD2-CG2 4.2Å; L264-I269 WeakPolarHBondContact O-CB 3.4Å; L264-I269 PolarHBondContact O-N 3.16Å; R267-I269 VanDerWaalsContact C-N 3.26Å; R267-I269 HydrophobicContact CB-CD1 3.86Å; R267-I269 HydrophobicContact CB-CG1 4.06Å; R267-I269 PolarHBondContact O-N 3.21Å |
| 270 | A | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 147.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | M14 L16 M43 F210 T211 A212 | M14-A270 HydrophobicContact CE-CB 3.82Å; L16-A270 HydrophobicContact CD2-CB 4.12Å; L16-A270 CarbonylContact O-C 3.43Å; L16-A270 VanDerWaalsContact O-CA 3.24Å; L16-A270 WeakPolarHBondContact O-CA 3.41Å; M43-A270 HydrophobicContact CE-CB 4.32Å; F210-A270 PolarHBondContact O-N 3.43Å; T211-A270 CarbonylContact C-O 3.56Å; T211-A270 WeakPolarHBondContact CA-O 3.4Å; T211-A270 HydrophobicContact CG2-CB 4.34Å; A212-A270 PolarHBondContact N-O 2.81Å |
| 271 | V | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 143.3 | -179.4 | -60.1 | 0 | 0 | 0 | 0 | 110.9 | L16 V17 G18 A212 L261 L264 L265 L287 | L16-V271 PolarHBondContact O-N 3.47Å; V17-V271 WeakPolarHBondContact CA-O 3.45Å; V17-V271 HydrophobicContact CB-CG2 4.48Å; V17-V271 HydrophobicContact CG1-CG2 4.31Å; V17-V271 HydrophobicContact CG2-CG2 4.14Å; G18-V271 PolarHBondContact N-O 3.38Å; A212-V271 HydrophobicContact CB-CG1 4.5Å; L261-V271 HydrophobicContact CD2-CB 3.87Å; L261-V271 HydrophobicContact CD2-CG1 4.1Å; L261-V271 HydrophobicContact CD2-CG2 3.92Å; L264-V271 HydrophobicContact CB-CG1 3.57Å; L264-V271 HydrophobicContact CD1-CG1 3.62Å; L264-V271 HydrophobicContact CG-CG1 4.24Å; L265-V271 HydrophobicContact CD1-CB 4.19Å; L265-V271 HydrophobicContact CD1-CG1 3.68Å; L265-V271 HydrophobicContact CD1-CG2 3.49Å; L265-V271 VanDerWaalsContact CD1-CG2 3.49Å; V271-L287 HydrophobicContact CG2-CD1 4.41Å |
| 272 | I | 98.7 | Very high | 97.7 | Very high | 12 Ų | 12 | 39.9 Ų | 39.9 | 6% | 0.062 | 18% | 0.182 | C | C | . | . | trans | -126.1 | 56.2 | 178.9 | 48.8 | 166.8 | 0 | 0 | 0 | 111.7 | G18 G20 M43 D45 Q187 T211 A212 F213 K274 | G18-I272 WeakPolarHBondContact O-CA 3.17Å; G20-I272 WeakPolarHBondContact CA-O 3.07Å; M43-I272 HydrophobicContact CE-CG2 3.73Å; D45-I272 HydrophobicContact CB-CB 4.1Å; D45-I272 HydrophobicContact CB-CD1 3.8Å; D45-I272 HydrophobicContact CB-CG2 3.79Å; Q187-I272 HydrophobicContact CG-CD1 4.5Å; T211-I272 HydrophobicContact CG2-CD1 4.19Å; T211-I272 HydrophobicContact CG2-CG1 4.09Å; T211-I272 HydrophobicContact CG2-CG2 4.08Å; A212-I272 WeakPolarHBondContact O-CG1 3.39Å; A212-I272 PolarHBondContact O-N 3.15Å; F213-I272 HydrophobicContact CB-CD1 4.07Å; F213-I272 HydrophobicContact CB-CG1 4.41Å; I272-K274 PolarHBondContact O-N 3.08Å | ||
| 273 | P | 98.1 | Very high | 97.6 | Very high | 6 Ų | 6 | 41.3 Ų | 41.3 | 4% | 0.039 | 19% | 0.192 | C | C | . | . | trans | -62.1 | 125.6 | -177.1 | 27.9 | -35.5 | 0 | 0 | 0 | 110.8 | G18 L216 L261 N284 | G18-P273 WeakPolarHBondContact O-CD 3.27Å; L216-P273 HydrophobicContact CD1-CB 4.13Å; L261-P273 HydrophobicContact CD1-CB 4.24Å; L261-P273 HydrophobicContact CD1-CG 4.01Å; L261-P273 HydrophobicContact CD2-CB 3.99Å; L261-P273 HydrophobicContact CD2-CG 4.02Å; P273-N284 HydrophobicContact CB-CB 4.48Å; P273-N284 HydrophobicContact CG-CB 3.98Å | ||
| 274 | K | 97.1 | Very high | 97.5 | Very high | 74 Ų | 74 | 41.5 Ų | 41.5 | 32% | 0.322 | 19% | 0.193 | S | C | . | . | trans | -84.5 | 134.6 | 172.6 | -179.1 | -100.4 | 179.7 | 168.8 | 0 | 110.6 | G20 W22 T23 V24 I272 | G20-K274 WeakPolarHBondContact O-CA 3.38Å; G20-K274 VanDerWaalsContact O-CB 3.28Å; G20-K274 WeakPolarHBondContact O-CB 3.35Å; G20-K274 WeakPolarHBondContact O-CG 3.46Å; W22-K274 WeakPolarHBondContact O-CE 3.44Å; W22-K274 WeakPolarHBondContact O-CG 3.3Å; T23-K274 PolarHBondContact O-NZ 3.14Å; T23-K274 PolarHBondContact OG1-NZ 3.31Å; V24-K274 HydrophobicContact CG2-CD 4.18Å; V24-K274 HydrophobicContact CG2-CG 3.78Å; I272-K274 PolarHBondContact O-N 3.08Å | ||
| 275 | S | 96.4 | Very high | 97.5 | Very high | 8 Ų | 8 | 42.8 Ų | 42.8 | 6% | 0.056 | 20% | 0.199 | C | C | . | . | trans | -149.8 | 146.6 | 167.9 | -178.2 | 0 | 0 | 0 | 0 | 110.5 | N277 R280 | S275-N277 PolarHBondContact OG-N 3.14Å; S275-N277 VanDerWaalsContact OG-N 3.09Å; S275-N277 PolarHBondContact OG-O 3.37Å; S275-N277 VanDerWaalsContact OG-O 3.08Å; S275-R280 VanDerWaalsContact OG-CB 3.3Å; S275-R280 WeakPolarHBondContact OG-CB 3.47Å | ||
| 276 | T | 95.8 | Very high | 97.4 | Very high | 51 Ų | 51 | 48 Ų | 48 | 31% | 0.313 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -110.5 | -0.3 | 169.1 | 52.4 | 0 | 0 | 0 | 0 | 112.1 | V24 L28 | V24-T276 HydrophobicContact CG1-CG2 4.04Å; V24-T276 HydrophobicContact CG2-CG2 4.24Å; L28-T276 HydrophobicContact CB-CG2 4.21Å; L28-T276 HydrophobicContact CD1-CG2 3.84Å; L28-T276 HydrophobicContact CG-CG2 4.48Å |
| 277 | N | 97 | Very high | 97.4 | Very high | 47 Ų | 47 | 44.7 Ų | 44.7 | 25% | 0.251 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -94.8 | 124.9 | 172.3 | 167.6 | -86.3 | 0 | 0 | 0 | 109.1 | S275 E279 R280 I281 | S275-N277 PolarHBondContact OG-N 3.14Å; S275-N277 VanDerWaalsContact OG-N 3.09Å; S275-N277 PolarHBondContact OG-O 3.37Å; S275-N277 VanDerWaalsContact OG-O 3.08Å; N277-E279 VanDerWaalsContact CG-OE2 3.29Å; N277-E279 PolarHBondContact ND2-OE2 3.45Å; N277-E279 PolarHBondContact O-N 2.91Å; N277-E279 PolarHBondContact OD1-N 3.08Å; N277-E279 PolarHBondContact OD1-OE2 3.18Å; N277-R280 HydrophobicContact CB-CB 4.28Å; N277-R280 HydrophobicContact CB-CG 4.47Å; N277-R280 VanDerWaalsContact CB-CZ 3.46Å; N277-R280 PolarHBondContact O-N 3.46Å; N277-R280 WeakPolarHBondContact OD1-CB 3.48Å; N277-R280 WeakPolarHBondContact OD1-CG 3.17Å; N277-R280 PolarHBondContact OD1-N 3.32Å; N277-I281 VanDerWaalsContact O-CG1 3.31Å; N277-I281 WeakPolarHBondContact O-CG1 3.41Å; N277-I281 PolarHBondContact O-N 3.43Å |
| 278 | K | 97.9 | Very high | 97.3 | Very high | 88 Ų | 88 | 45.4 Ų | 45.4 | 38% | 0.383 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.5 | -36.4 | -170.4 | -63.5 | -176.1 | 177.4 | 177.4 | 0 | 112.6 | V35 I281 R282 | V35-K278 HydrophobicContact CG1-CB 4.12Å; V35-K278 HydrophobicContact CG1-CG 4.37Å; V35-K278 HydrophobicContact CG2-CD 3.92Å; V35-K278 HydrophobicContact CG2-CG 4.04Å; K278-I281 PolarHBondContact O-N 3.47Å; K278-R282 PolarHBondContact O-N 2.88Å |
| 279 | E | 97.7 | Very high | 97.1 | Very high | 119 Ų | 119 | 46.1 Ų | 46.1 | 56% | 0.556 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -65.9 | -46.5 | 176.6 | -61.8 | 68.2 | -143.4 | 0 | 0 | 110.8 | N277 I281 R282 S283 | N277-E279 VanDerWaalsContact CG-OE2 3.29Å; N277-E279 PolarHBondContact ND2-OE2 3.45Å; N277-E279 PolarHBondContact O-N 2.91Å; N277-E279 PolarHBondContact OD1-N 3.08Å; N277-E279 PolarHBondContact OD1-OE2 3.18Å; E279-I281 VanDerWaalsContact C-N 3.32Å; E279-I281 PolarHBondContact O-N 3.03Å; E279-R282 PolarHBondContact O-N 3.12Å; E279-S283 PolarHBondContact O-N 3.49Å; E279-S283 PolarHBondContact O-OG 3.13Å |
| 280 | R | 97.2 | Very high | 97 | Very high | 140 Ų | 140 | 47.3 Ų | 47.3 | 53% | 0.528 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.1 | -35.8 | 175.7 | -76.2 | -167.1 | -67.1 | -100.5 | 5.6 | 112.7 | S275 N277 R282 S283 N284 | S275-R280 VanDerWaalsContact OG-CB 3.3Å; S275-R280 WeakPolarHBondContact OG-CB 3.47Å; N277-R280 HydrophobicContact CB-CB 4.28Å; N277-R280 HydrophobicContact CB-CG 4.47Å; N277-R280 VanDerWaalsContact CB-CZ 3.46Å; N277-R280 PolarHBondContact O-N 3.46Å; N277-R280 WeakPolarHBondContact OD1-CB 3.48Å; N277-R280 WeakPolarHBondContact OD1-CG 3.17Å; N277-R280 PolarHBondContact OD1-N 3.32Å; R280-R282 VanDerWaalsContact C-N 3.32Å; R280-R282 PolarHBondContact O-N 2.82Å; R280-S283 WeakPolarHBondContact CA-OG 3.41Å; R280-S283 PolarHBondContact O-OG 3.36Å; R280-N284 WeakPolarHBondContact O-CB 3.24Å; R280-N284 PolarHBondContact O-N 3.3Å; R280-N284 PolarHBondContact O-ND2 3.11Å |
| 281 | I | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.5 | -48.7 | 174.7 | -68.6 | 169.4 | 0 | 0 | 0 | 109.8 | F19 C32 V35 A36 Y41 N277 K278 E279 | F19-I281 HydrophobicContact CE2-CD1 3.97Å; F19-I281 HydrophobicContact CE2-CG1 4Å; F19-I281 HydrophobicContact CE2-CG2 4.49Å; F19-I281 HydrophobicContact CZ-CD1 4.48Å; C32-I281 HydrophobicContact CB-CD1 3.62Å; V35-I281 HydrophobicContact CG1-CB 4.33Å; V35-I281 HydrophobicContact CG1-CG2 4.1Å; A36-I281 HydrophobicContact CB-CG2 3.86Å; Y41-I281 HydrophobicContact CE2-CG2 4Å; Y41-I281 VanDerWaalsContact CE2-O 3.3Å; Y41-I281 WeakPolarHBondContact CE2-O 3.32Å; Y41-I281 PolarHBondContact OH-O 3.39Å; N277-I281 VanDerWaalsContact O-CG1 3.31Å; N277-I281 WeakPolarHBondContact O-CG1 3.41Å; N277-I281 PolarHBondContact O-N 3.43Å; K278-I281 PolarHBondContact O-N 3.47Å; E279-I281 VanDerWaalsContact C-N 3.32Å; E279-I281 PolarHBondContact O-N 3.03Å |
| 282 | R | 97.9 | Very high | 96.8 | Very high | 98 Ų | 98 | 51.6 Ų | 51.6 | 37% | 0.37 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -65.1 | -48.2 | 178.9 | -66.2 | -176.8 | -177.6 | 105.4 | -0.7 | 112 | V35 E38 A39 K278 E279 R280 N284 F285 Q286 | V35-R282 HydrophobicContact CG1-CG 4.37Å; E38-R282 IonicContact OE2-NH2 2.7Å; A39-R282 HydrophobicContact CB-CG 4.14Å; K278-R282 PolarHBondContact O-N 2.88Å; E279-R282 PolarHBondContact O-N 3.12Å; R280-R282 VanDerWaalsContact C-N 3.32Å; R280-R282 PolarHBondContact O-N 2.82Å; R282-N284 PolarHBondContact O-N 3.17Å; R282-F285 WeakPolarHBondContact O-CB 3.4Å; R282-F285 PolarHBondContact O-N 3.39Å; R282-F285 VanDerWaalsContact O-N 3.13Å; R282-Q286 PolarHBondContact O-N 3.33Å |
| 283 | S | 96.2 | Very high | 96.8 | Very high | 31 Ų | 31 | 54.7 Ų | 54.7 | 22% | 0.217 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.6 | -33.7 | -177.8 | 67.9 | 0 | 0 | 0 | 0 | 113.1 | E279 R280 F285 Q286 | E279-S283 PolarHBondContact O-N 3.49Å; E279-S283 PolarHBondContact O-OG 3.13Å; R280-S283 WeakPolarHBondContact CA-OG 3.41Å; R280-S283 PolarHBondContact O-OG 3.36Å; S283-F285 PolarHBondContact O-N 3.09Å; S283-Q286 PolarHBondContact O-N 2.92Å; S283-Q286 VanDerWaalsContact O-N 3.08Å |
| 284 | N | 97.5 | Very high | 96.8 | Very high | 3 Ų | 3 | 61.4 Ų | 61.4 | 2% | 0.016 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.1 | -18.3 | 174.3 | -74.6 | -11.9 | 0 | 0 | 0 | 113.2 | Y41 L261 P273 R280 R282 L287 | Y41-N284 WeakPolarHBondContact OH-CB 3.3Å; L261-N284 HydrophobicContact CD1-CB 4Å; P273-N284 HydrophobicContact CB-CB 4.48Å; P273-N284 HydrophobicContact CG-CB 3.98Å; R280-N284 WeakPolarHBondContact O-CB 3.24Å; R280-N284 PolarHBondContact O-N 3.3Å; R280-N284 PolarHBondContact O-ND2 3.11Å; R282-N284 PolarHBondContact O-N 3.17Å; N284-L287 VanDerWaalsContact O-CD1 3.3Å; N284-L287 WeakPolarHBondContact O-CD1 2.99Å; N284-L287 WeakPolarHBondContact O-CG 3.35Å |
| 285 | F | 96.9 | Very high | 96.9 | Very high | 28 Ų | 28 | 63.3 Ų | 63.3 | 12% | 0.123 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -87.8 | -22.3 | 174.4 | -164.3 | -103.5 | 0 | 0 | 0 | 113.3 | V17 A39 G40 Y41 R282 S283 L287 F288 | V17-F285 HydrophobicContact CB-CD2 4.29Å; V17-F285 HydrophobicContact CB-CE2 4.38Å; V17-F285 HydrophobicContact CG1-CD2 3.9Å; V17-F285 HydrophobicContact CG1-CE2 4.44Å; A39-F285 WeakPolarHBondContact O-CD1 3.5Å; A39-F285 WeakPolarHBondContact O-CE1 3.48Å; G40-F285 VanDerWaalsContact C-CE2 3.49Å; G40-F285 WeakPolarHBondContact O-CE2 3.48Å; G40-F285 WeakPolarHBondContact O-CZ 3.23Å; Y41-F285 HydrophobicContact CD1-CD2 4.1Å; Y41-F285 HydrophobicContact CD2-CB 4.23Å; Y41-F285 AromaticContact CD2-CD2 3.64Å; Y41-F285 HydrophobicContact CD2-CD2 3.64Å; Y41-F285 HydrophobicContact CD2-CE2 4.34Å; Y41-F285 HydrophobicContact CD2-CG 4.12Å; Y41-F285 HydrophobicContact CE1-CD2 4.12Å; Y41-F285 HydrophobicContact CE2-CB 3.56Å; Y41-F285 AromaticContact CE2-CD2 3.7Å; Y41-F285 HydrophobicContact CE2-CD2 3.7Å; Y41-F285 AromaticContact CE2-CG 3.94Å; Y41-F285 HydrophobicContact CE2-CG 3.94Å; Y41-F285 AromaticContact CG-CD2 3.88Å; Y41-F285 HydrophobicContact CG-CD2 3.88Å; Y41-F285 HydrophobicContact CG-CE2 4.27Å; Y41-F285 AromaticContact CZ-CD2 3.92Å; Y41-F285 PolarHBondContact OH-N 2.97Å; R282-F285 WeakPolarHBondContact O-CB 3.4Å; R282-F285 PolarHBondContact O-N 3.39Å; R282-F285 VanDerWaalsContact O-N 3.13Å; S283-F285 PolarHBondContact O-N 3.09Å; F285-L287 PolarHBondContact O-N 3.05Å; F285-F288 HydrophobicContact CZ-CE2 4.44Å |
| 286 | Q | 95.7 | Very high | 97 | Very high | 113 Ų | 113 | 62.9 Ų | 62.9 | 53% | 0.528 | 31% | 0.307 | S | S | . | . | trans | -80.3 | 66.7 | -176.6 | -67.4 | 175.5 | -14.9 | 0 | 0 | 111.3 | R282 S283 | R282-Q286 PolarHBondContact O-N 3.33Å; S283-Q286 PolarHBondContact O-N 2.92Å; S283-Q286 VanDerWaalsContact O-N 3.08Å | ||
| 287 | L | 96.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | trans | -115.5 | -5.4 | -177 | -57.6 | 175.4 | 0 | 0 | 0 | 113.5 | V17 L261 K262 L265 V271 N284 F285 F290 | V17-L287 HydrophobicContact CG2-CD1 3.95Å; L261-L287 HydrophobicContact CB-CD1 3.59Å; L261-L287 HydrophobicContact CB-CD2 3.89Å; L261-L287 HydrophobicContact CB-CG 4.41Å; L261-L287 HydrophobicContact CD1-CD1 4.2Å; L261-L287 HydrophobicContact CD1-CD2 4.45Å; L261-L287 HydrophobicContact CG-CD1 4.48Å; K262-L287 WeakPolarHBondContact CD-O 3.45Å; K262-L287 PolarHBondContact NZ-O 3.24Å; L265-L287 HydrophobicContact CD1-CD1 4.11Å; L265-L287 HydrophobicContact CD2-CB 3.69Å; L265-L287 HydrophobicContact CD2-CD1 3.78Å; L265-L287 HydrophobicContact CD2-CG 4.41Å; V271-L287 HydrophobicContact CG2-CD1 4.41Å; N284-L287 VanDerWaalsContact O-CD1 3.3Å; N284-L287 WeakPolarHBondContact O-CD1 2.99Å; N284-L287 WeakPolarHBondContact O-CG 3.35Å; F285-L287 PolarHBondContact O-N 3.05Å; L287-F290 HydrophobicContact CD2-CE1 4.32Å | ||
| 288 | F | 95.4 | Very high | 97.2 | Very high | 44 Ų | 44 | 65.3 Ų | 65.3 | 19% | 0.193 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -99.2 | -4 | -172.7 | -56.3 | -74.5 | 0 | 0 | 0 | 113.7 | R4 V17 L265 F285 | R4-F288 HydrophobicContact CB-CE1 4.35Å; R4-F288 HydrophobicContact CB-CZ 4.37Å; R4-F288 HydrophobicContact CG-CD1 4.12Å; R4-F288 HydrophobicContact CG-CE1 3.97Å; R4-F288 HydrophobicContact CG-CE2 4.41Å; R4-F288 HydrophobicContact CG-CG 4.42Å; R4-F288 HydrophobicContact CG-CZ 4.11Å; V17-F288 HydrophobicContact CG2-CE2 4.05Å; V17-F288 HydrophobicContact CG2-CZ 3.69Å; L265-F288 HydrophobicContact CD2-CE1 4.07Å; L265-F288 HydrophobicContact CD2-CZ 4.33Å; F285-F288 HydrophobicContact CZ-CE2 4.44Å |
| 289 | D | 92.9 | Very high | 97.2 | Very high | 105 Ų | 105 | 64.1 Ų | 64.1 | 56% | 0.561 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -98.6 | -0.8 | -176.2 | 68.2 | -35.6 | 0 | 0 | 0 | 113.9 | K254 | K254-D289 VanDerWaalsContact NZ-CG 3.28Å; K254-D289 IonicContact NZ-OD1 3.94Å; K254-D289 PolarHBondContact NZ-OD1 3.46Å; K254-D289 VanDerWaalsContact NZ-OD1 3.17Å; K254-D289 IonicContact NZ-OD2 2.73Å; K254-D289 PolarHBondContact NZ-OD2 2.96Å |
| 290 | F | 95.7 | Very high | 97.3 | Very high | 25 Ų | 25 | 58.5 Ų | 58.5 | 11% | 0.11 | 28% | 0.283 | C | S | . | . | trans | -144.6 | 170.3 | 175.6 | 76.9 | -74 | 0 | 0 | 0 | 111.4 | K254 I259 K262 L287 L292 | K254-F290 HydrophobicContact CD-CD1 4.12Å; K254-F290 HydrophobicContact CD-CE1 4.13Å; K254-F290 HydrophobicContact CD-CG 4.45Å; K254-F290 HydrophobicContact CD-CZ 4.48Å; K254-F290 HydrophobicContact CG-CD1 4.37Å; K254-F290 HydrophobicContact CG-CD2 4.19Å; K254-F290 HydrophobicContact CG-CE1 4.29Å; K254-F290 HydrophobicContact CG-CE2 4.12Å; K254-F290 HydrophobicContact CG-CG 4.32Å; K254-F290 HydrophobicContact CG-CZ 4.16Å; I259-F290 HydrophobicContact CD1-CE2 4.14Å; K262-F290 HydrophobicContact CB-CE1 4.34Å; K262-F290 HydrophobicContact CB-CE2 3.88Å; K262-F290 HydrophobicContact CB-CZ 3.51Å; K262-F290 HydrophobicContact CD-CZ 4.34Å; K262-F290 WeakPolarHBondContact CE-O 3.5Å; K262-F290 HydrophobicContact CG-CD2 4.37Å; K262-F290 HydrophobicContact CG-CE1 4.37Å; K262-F290 HydrophobicContact CG-CE2 3.71Å; K262-F290 HydrophobicContact CG-CZ 3.71Å; K262-F290 PolarHBondContact NZ-O 3.39Å; L287-F290 HydrophobicContact CD2-CE1 4.32Å; F290-L292 HydrophobicContact CE2-CD2 4.04Å; F290-L292 HydrophobicContact CE2-CG 4.5Å | ||
| 291 | C | 96.7 | Very high | 97.3 | Very high | 87 Ų | 87 | 54.4 Ų | 54.4 | 59% | 0.588 | 27% | 0.272 | S | S | * | . | trans | -139.1 | 139.6 | 171.9 | -71.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 292 | L | 97.9 | Very high | 97.3 | Very high | 4 Ų | 4 | 59.7 Ų | 59.7 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | trans | -72.6 | 132.3 | 164.8 | -58.5 | 177.9 | 0 | 0 | 0 | 108.4 | I248 I259 K262 W263 Q266 F290 D296 M297 L300 | I248-L292 HydrophobicContact CG2-CD2 3.91Å; I259-L292 HydrophobicContact CD1-CD2 3.9Å; I259-L292 HydrophobicContact CG2-CD1 4.36Å; I259-L292 HydrophobicContact CG2-CD2 4.22Å; K262-L292 HydrophobicContact CB-CD1 4.21Å; K262-L292 HydrophobicContact CB-CG 4.31Å; K262-L292 HydrophobicContact CG-CD1 4.16Å; K262-L292 HydrophobicContact CG-CG 3.86Å; W263-L292 HydrophobicContact CB-CD1 3.92Å; Q266-L292 PolarHBondContact NE2-O 3.4Å; F290-L292 HydrophobicContact CE2-CD2 4.04Å; F290-L292 HydrophobicContact CE2-CG 4.5Å; L292-D296 HydrophobicContact CB-CB 4Å; L292-D296 HydrophobicContact CD2-CB 4.39Å; L292-M297 HydrophobicContact CB-CG 4.07Å; L292-M297 HydrophobicContact CB-SD 3.91Å; L292-M297 HydrophobicContact CD1-SD 3.89Å; L292-L300 HydrophobicContact CD1-CD1 3.76Å | ||
| 293 | N | 97.9 | Very high | 97.3 | Very high | 77 Ų | 77 | 55.3 Ų | 55.3 | 41% | 0.412 | 28% | 0.28 | S | S | . | . | trans | -75.9 | 173.2 | 176.3 | 66.9 | 56 | 0 | 0 | 0 | 111.1 | K295 D296 M297 | N293-K295 VanDerWaalsContact C-N 3.29Å; N293-K295 PolarHBondContact O-N 3.08Å; N293-K295 WeakPolarHBondContact OD1-CA 3.45Å; N293-K295 VanDerWaalsContact OD1-CB 3.26Å; N293-K295 WeakPolarHBondContact OD1-CB 3.2Å; N293-K295 PolarHBondContact OD1-N 2.98Å; N293-D296 VanDerWaalsContact ND2-CG 3.32Å; N293-D296 PolarHBondContact ND2-OD1 3.43Å; N293-D296 PolarHBondContact ND2-OD2 2.91Å; N293-D296 VanDerWaalsContact ND2-OD2 3.09Å; N293-D296 PolarHBondContact O-N 3.41Å; N293-D296 VanDerWaalsContact O-N 3.17Å; N293-D296 PolarHBondContact OD1-N 3.09Å; N293-D296 PolarHBondContact OD1-OD1 3.42Å; N293-M297 WeakPolarHBondContact O-CG 3.24Å; N293-M297 PolarHBondContact O-N 3.49Å | ||
| 294 | D | 98.4 | Very high | 97.3 | Very high | 146 Ų | 146 | 63.1 Ų | 63.1 | 78% | 0.781 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -62.1 | -34.2 | -177.3 | -65.8 | -21.9 | 0 | 0 | 0 | 113.4 | K298 | D294-K298 VanDerWaalsContact O-CB 3.25Å; D294-K298 WeakPolarHBondContact O-CB 3.44Å; D294-K298 PolarHBondContact O-N 2.84Å |
| 295 | K | 98.5 | Very high | 97.3 | Very high | 114 Ų | 114 | 65.4 Ų | 65.4 | 50% | 0.496 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.3 | -47.3 | 174.7 | 171.4 | -156.4 | 166.8 | -150.2 | 0 | 110 | E251 N293 K298 L299 | E251-K295 IonicContact OE1-NZ 3.28Å; E251-K295 IonicContact OE2-NZ 3.25Å; E251-K295 PolarHBondContact OE2-NZ 3.25Å; E251-K295 VanDerWaalsContact OE2-NZ 3.11Å; N293-K295 VanDerWaalsContact C-N 3.29Å; N293-K295 PolarHBondContact O-N 3.08Å; N293-K295 WeakPolarHBondContact OD1-CA 3.45Å; N293-K295 VanDerWaalsContact OD1-CB 3.26Å; N293-K295 WeakPolarHBondContact OD1-CB 3.2Å; N293-K295 PolarHBondContact OD1-N 2.98Å; K295-K298 PolarHBondContact O-N 3.21Å; K295-L299 HydrophobicContact CG-CD1 4.09Å; K295-L299 WeakPolarHBondContact O-CB 3.36Å; K295-L299 WeakPolarHBondContact O-CG 3.44Å; K295-L299 PolarHBondContact O-N 2.9Å |
| 296 | D | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62 | -47.1 | 179.3 | -63.1 | -8.9 | 0 | 0 | 0 | 110.8 | I248 N252 L292 N293 K298 L299 L300 | I248-D296 HydrophobicContact CD1-CB 4.11Å; I248-D296 HydrophobicContact CG1-CB 4.38Å; I248-D296 HydrophobicContact CG2-CB 4.01Å; N252-D296 PolarHBondContact ND2-OD2 3.34Å; N252-D296 VanDerWaalsContact ND2-OD2 3.12Å; L292-D296 HydrophobicContact CB-CB 4Å; L292-D296 HydrophobicContact CD2-CB 4.39Å; N293-D296 VanDerWaalsContact ND2-CG 3.32Å; N293-D296 PolarHBondContact ND2-OD1 3.43Å; N293-D296 PolarHBondContact ND2-OD2 2.91Å; N293-D296 VanDerWaalsContact ND2-OD2 3.09Å; N293-D296 PolarHBondContact O-N 3.41Å; N293-D296 VanDerWaalsContact O-N 3.17Å; N293-D296 PolarHBondContact OD1-N 3.09Å; N293-D296 PolarHBondContact OD1-OD1 3.42Å; D296-K298 VanDerWaalsContact C-N 3.31Å; D296-K298 PolarHBondContact O-N 3.24Å; D296-L299 PolarHBondContact O-N 3.4Å; D296-L300 WeakPolarHBondContact O-CG 3.33Å; D296-L300 PolarHBondContact O-N 2.92Å |
| 297 | M | 98.5 | Very high | 97.2 | Very high | 25 Ų | 25 | 67.2 Ų | 67.2 | 12% | 0.123 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.3 | -42.8 | 176.8 | -70.4 | -62.6 | -66.9 | 0 | 0 | 111.6 | Q266 R267 L292 N293 N301 | Q266-M297 HydrophobicContact CB-CE 3.81Å; Q266-M297 HydrophobicContact CB-SD 4Å; R267-M297 HydrophobicContact CG-CE 4Å; L292-M297 HydrophobicContact CB-CG 4.07Å; L292-M297 HydrophobicContact CB-SD 3.91Å; L292-M297 HydrophobicContact CD1-SD 3.89Å; N293-M297 WeakPolarHBondContact O-CG 3.24Å; N293-M297 PolarHBondContact O-N 3.49Å; M297-N301 PolarHBondContact O-N 3.41Å; M297-N301 VanDerWaalsContact O-N 3.08Å; M297-N301 PolarHBondContact O-ND2 2.95Å; M297-N301 PolarHBondContact O-OD1 3.34Å |
| 298 | K | 98.6 | Very high | 97 | Very high | 124 Ų | 124 | 71.7 Ų | 71.7 | 54% | 0.539 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.8 | -49.5 | 176.4 | -178.2 | 177.6 | 177.1 | -178.7 | 0 | 111.6 | D294 K295 D296 L300 N301 E302 | D294-K298 VanDerWaalsContact O-CB 3.25Å; D294-K298 WeakPolarHBondContact O-CB 3.44Å; D294-K298 PolarHBondContact O-N 2.84Å; K295-K298 PolarHBondContact O-N 3.21Å; D296-K298 VanDerWaalsContact C-N 3.31Å; D296-K298 PolarHBondContact O-N 3.24Å; K298-L300 VanDerWaalsContact C-N 3.32Å; K298-L300 PolarHBondContact O-N 3.26Å; K298-N301 PolarHBondContact O-N 3.5Å; K298-N301 VanDerWaalsContact O-N 3.12Å; K298-E302 WeakPolarHBondContact CE-OE1 3.26Å; K298-E302 HydrophobicContact CG-CG 4.38Å; K298-E302 WeakPolarHBondContact CG-OE1 3.29Å; K298-E302 IonicContact NZ-OE1 2.59Å; K298-E302 WeakPolarHBondContact O-CB 3.48Å; K298-E302 WeakPolarHBondContact O-CG 3.49Å; K298-E302 PolarHBondContact O-N 2.9Å |
| 299 | L | 98.6 | Very high | 96.9 | Very high | 62 Ų | 62 | 69.7 Ų | 69.7 | 33% | 0.325 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.1 | -43.2 | 179.3 | -75.1 | 172.9 | 0 | 0 | 0 | 112.1 | V244 I248 K295 D296 N301 E302 I303 | V244-L299 HydrophobicContact CG1-CB 3.81Å; I248-L299 HydrophobicContact CD1-CB 4.16Å; K295-L299 HydrophobicContact CG-CD1 4.09Å; K295-L299 WeakPolarHBondContact O-CB 3.36Å; K295-L299 WeakPolarHBondContact O-CG 3.44Å; K295-L299 PolarHBondContact O-N 2.9Å; D296-L299 PolarHBondContact O-N 3.4Å; L299-N301 VanDerWaalsContact C-N 3.34Å; L299-N301 PolarHBondContact O-N 3.1Å; L299-E302 PolarHBondContact O-N 3.39Å; L299-I303 PolarHBondContact O-N 3.47Å; L299-I303 VanDerWaalsContact O-N 3.17Å |
| 300 | L | 98.7 | Very high | 96.7 | Very high | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.9 | -36.7 | 177.1 | -68.8 | 169.2 | 0 | 0 | 0 | 112.4 | V244 V245 I248 I259 W263 L292 D296 K298 E302 I303 | V244-L300 HydrophobicContact CG1-CD2 4.45Å; V245-L300 HydrophobicContact CG2-CD2 3.82Å; I248-L300 HydrophobicContact CD1-CD1 4.12Å; I248-L300 HydrophobicContact CD1-CD2 3.9Å; I248-L300 HydrophobicContact CD1-CG 3.65Å; I259-L300 HydrophobicContact CG2-CD1 3.89Å; I259-L300 HydrophobicContact CG2-CD2 4.35Å; W263-L300 HydrophobicContact CB-CD1 3.76Å; W263-L300 HydrophobicContact CG-CB 4.19Å; W263-L300 HydrophobicContact CG-CD1 3.88Å; L292-L300 HydrophobicContact CD1-CD1 3.76Å; D296-L300 WeakPolarHBondContact O-CG 3.33Å; D296-L300 PolarHBondContact O-N 2.92Å; K298-L300 VanDerWaalsContact C-N 3.32Å; K298-L300 PolarHBondContact O-N 3.26Å; L300-E302 VanDerWaalsContact C-N 3.28Å; L300-E302 PolarHBondContact O-N 3.44Å; L300-I303 HydrophobicContact CD2-CD1 3.97Å |
| 301 | N | 98.3 | Very high | 96 | Very high | 55 Ų | 55 | 68.8 Ų | 68.8 | 29% | 0.294 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -68.2 | -30.4 | 175.4 | -67.8 | -16.9 | 0 | 0 | 0 | 112.5 | F197 W263 M297 K298 L299 R306 | F197-N301 HydrophobicContact CE1-CB 4.45Å; F197-N301 HydrophobicContact CZ-CB 3.86Å; W263-N301 PolarHBondContact NE1-OD1 2.98Å; M297-N301 PolarHBondContact O-N 3.41Å; M297-N301 VanDerWaalsContact O-N 3.08Å; M297-N301 PolarHBondContact O-ND2 2.95Å; M297-N301 PolarHBondContact O-OD1 3.34Å; K298-N301 PolarHBondContact O-N 3.5Å; K298-N301 VanDerWaalsContact O-N 3.12Å; L299-N301 VanDerWaalsContact C-N 3.34Å; L299-N301 PolarHBondContact O-N 3.1Å; N301-R306 PolarHBondContact O-NH2 3.32Å |
| 302 | E | 98 | Very high | 94.9 | Very high | 111 Ų | 111 | 67 Ų | 67 | 52% | 0.519 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -90.9 | -2 | -176.4 | -70.8 | 177.4 | 171.1 | 0 | 0 | 114.3 | K298 L299 L300 K304 | K298-E302 WeakPolarHBondContact CE-OE1 3.26Å; K298-E302 HydrophobicContact CG-CG 4.38Å; K298-E302 WeakPolarHBondContact CG-OE1 3.29Å; K298-E302 IonicContact NZ-OE1 2.59Å; K298-E302 WeakPolarHBondContact O-CB 3.48Å; K298-E302 WeakPolarHBondContact O-CG 3.49Å; K298-E302 PolarHBondContact O-N 2.9Å; L299-E302 PolarHBondContact O-N 3.39Å; L300-E302 VanDerWaalsContact C-N 3.28Å; L300-E302 PolarHBondContact O-N 3.44Å; E302-K304 PolarHBondContact O-N 2.97Å |
| 303 | I | 98.2 | Very high | 93 | Very high | 6 Ų | 6 | 69.8 Ų | 69.8 | 3% | 0.031 | 33% | 0.328 | C | S | . | . | trans | -46.5 | 129 | 169 | -77.1 | 171.8 | 0 | 0 | 0 | 108 | P192 Y193 V244 V245 L299 L300 R306 | P192-I303 HydrophobicContact CB-CD1 3.69Å; P192-I303 HydrophobicContact CG-CD1 4.34Å; Y193-I303 HydrophobicContact CD1-CG2 3.78Å; Y193-I303 HydrophobicContact CE1-CG2 3.73Å; V244-I303 HydrophobicContact CB-CD1 4.23Å; V244-I303 HydrophobicContact CB-CG1 4.11Å; V244-I303 HydrophobicContact CG1-CD1 4.41Å; V244-I303 HydrophobicContact CG1-CG1 4.29Å; V244-I303 HydrophobicContact CG2-CG1 4.26Å; V245-I303 HydrophobicContact CG2-CD1 4.09Å; L299-I303 PolarHBondContact O-N 3.47Å; L299-I303 VanDerWaalsContact O-N 3.17Å; L300-I303 HydrophobicContact CD2-CD1 3.97Å; I303-R306 PolarHBondContact O-NH1 2.97Å; I303-R306 PolarHBondContact O-NH2 3.38Å | ||
| 304 | K | 96.9 | Very high | 91.2 | Very high | 196 Ų | 196 | 74.1 Ų | 74.1 | 85% | 0.852 | 34% | 0.338 | S | S | * | . | trans | -83.7 | -29.3 | -171.3 | -67.4 | -174.7 | 179.3 | -179.7 | 0 | 113.8 | E302 R306 | E302-K304 PolarHBondContact O-N 2.97Å; K304-R306 PolarHBondContact O-N 3.26Å | ||
| 305 | T | 96.6 | Very high | 90.8 | Very high | 51 Ų | 51 | 70.5 Ų | 70.5 | 31% | 0.313 | 32% | 0.316 | S | S | . | . | trans | -58.6 | 125.6 | 179.8 | -55.8 | 0 | 0 | 0 | 0 | 110.1 | Y193 P237 | Y193-T305 WeakPolarHBondContact CA-O 3.31Å; Y193-T305 HydrophobicContact CD1-CG2 3.73Å; Y193-T305 HydrophobicContact CD2-CG2 3.85Å; Y193-T305 HydrophobicContact CE1-CG2 3.96Å; Y193-T305 HydrophobicContact CE2-CG2 4.1Å; Y193-T305 HydrophobicContact CG-CG2 3.68Å; P237-T305 HydrophobicContact CB-CG2 4.24Å; P237-T305 HydrophobicContact CG-CG2 3.62Å | ||
| 306 | R | 95.8 | Very high | 90.4 | Very high | 126 Ų | 126 | 68.2 Ų | 68.2 | 48% | 0.475 | 31% | 0.307 | S | S | . | . | trans | -128.2 | 106.3 | 176.6 | -67.5 | -69.9 | 175.2 | -88.1 | -5.5 | 109.2 | P192 Y193 N301 I303 K304 | P192-R306 PolarHBondContact O-NH1 3.43Å; P192-R306 VanDerWaalsContact O-NH1 3.16Å; Y193-R306 CarbonylContact O-C 3.48Å; Y193-R306 VanDerWaalsContact O-CA 3.23Å; Y193-R306 WeakPolarHBondContact O-CA 3.3Å; N301-R306 PolarHBondContact O-NH2 3.32Å; I303-R306 PolarHBondContact O-NH1 2.97Å; I303-R306 PolarHBondContact O-NH2 3.38Å; K304-R306 PolarHBondContact O-N 3.26Å | ||
| 307 | Q | 94.1 | Very high | 89.9 | Confident | 52 Ų | 52 | 72 Ų | 72 | 24% | 0.243 | 32% | 0.324 | C | S | . | . | trans | -150.5 | 132.2 | -178.2 | -177.1 | 166.9 | -9.4 | 0 | 0 | 110.6 | Y193 E236 F309 | Y193-Q307 CarbonylContact C-O 3.59Å; Y193-Q307 PolarHBondContact O-N 3Å; E236-Q307 PolarHBondContact OE1-NE2 2.95Å; Q307-F309 HydrophobicContact CB-CE1 4.38Å; Q307-F309 HydrophobicContact CG-CD1 3.98Å; Q307-F309 HydrophobicContact CG-CE1 3.92Å | ||
| 308 | R | 93 | Very high | 89.4 | Confident | 94 Ų | 94 | 74.8 Ų | 74.8 | 36% | 0.355 | 34% | 0.335 | S | S | . | . | trans | -92 | 126.3 | 166.4 | -173.5 | -178.8 | -87.1 | -82.2 | 8.4 | 108.7 | E189 F310 | E189-R308 WeakPolarHBondContact OE1-CA 3.45Å; E189-R308 WeakPolarHBondContact OE2-CG 3.43Å; E189-R308 IonicContact OE2-NH1 3.25Å; E189-R308 PolarHBondContact OE2-NH1 3.02Å; R308-F310 WeakPolarHBondContact CD-O 3.22Å | ||
| 309 | F | 92.5 | Very high | 88.9 | Confident | 3 Ų | 3 | 71.7 Ų | 71.7 | 1% | 0.013 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -88.5 | -32.3 | 178.5 | -61.3 | -38.3 | 0 | 0 | 0 | 112.8 | E189 H191 Y193 E236 P237 P239 Q307 K311 | E189-F309 PolarHBondContact OE1-N 3.33Å; H191-F309 AromaticContact CE1-CD2 3.56Å; H191-F309 AromaticContact CE1-CE2 3.45Å; H191-F309 VanDerWaalsContact CE1-CE2 3.45Å; H191-F309 WeakPolarHBondContact CE1-CE2 3.3Å; H191-F309 AromaticContact NE2-CD2 3.4Å; H191-F309 WeakPolarHBondContact NE2-CD2 3.44Å; H191-F309 AromaticContact NE2-CE2 3.72Å; Y193-F309 HydrophobicContact CD2-CE2 4.41Å; Y193-F309 AromaticContact CD2-CZ 3.73Å; Y193-F309 HydrophobicContact CD2-CZ 3.73Å; Y193-F309 HydrophobicContact CE2-CZ 4.33Å; E236-F309 HydrophobicContact CB-CE1 4.15Å; E236-F309 WeakPolarHBondContact OE2-CD1 3.44Å; P237-F309 WeakPolarHBondContact O-CZ 3.45Å; P239-F309 HydrophobicContact CG-CE2 3.91Å; P239-F309 HydrophobicContact CG-CZ 4.25Å; Q307-F309 HydrophobicContact CB-CE1 4.38Å; Q307-F309 HydrophobicContact CG-CD1 3.98Å; Q307-F309 HydrophobicContact CG-CE1 3.92Å; F309-K311 VanDerWaalsContact C-N 3.31Å; F309-K311 PolarHBondContact O-N 2.7Å; F309-K311 VanDerWaalsContact O-N 3.1Å |
| 310 | F | 89.9 | Confident | 88.2 | Confident | 17 Ų | 17 | 72.3 Ų | 72.3 | 8% | 0.075 | 32% | 0.323 | C | S | . | . | trans | -89.6 | 80.2 | 177.3 | -63.7 | -100.6 | 0 | 0 | 0 | 108.5 | W22 E189 F213 S218 R308 F312 | W22-F310 HydrophobicContact CE3-CE1 4.42Å; W22-F310 AromaticContact CH2-CE1 3.51Å; W22-F310 HydrophobicContact CH2-CE1 3.51Å; W22-F310 HydrophobicContact CH2-CZ 4.2Å; W22-F310 AromaticContact CZ3-CE1 3.4Å; W22-F310 HydrophobicContact CZ3-CE1 3.4Å; W22-F310 AromaticContact CZ3-CZ 3.68Å; W22-F310 HydrophobicContact CZ3-CZ 3.68Å; E189-F310 HydrophobicContact CB-CD2 4.46Å; E189-F310 HydrophobicContact CG-CD2 3.97Å; E189-F310 VanDerWaalsContact OE2-CB 3.31Å; E189-F310 WeakPolarHBondContact OE2-CB 3.38Å; E189-F310 WeakPolarHBondContact OE2-CD2 3.49Å; E189-F310 PolarHBondContact OE2-N 3.21Å; F213-F310 HydrophobicContact CD2-CD2 4.35Å; F213-F310 HydrophobicContact CD2-CE2 4.13Å; F213-F310 HydrophobicContact CD2-CZ 4.31Å; F213-F310 HydrophobicContact CE2-CB 4.34Å; F213-F310 HydrophobicContact CE2-CD1 4.09Å; F213-F310 AromaticContact CE2-CD2 3.63Å; F213-F310 HydrophobicContact CE2-CD2 3.63Å; F213-F310 HydrophobicContact CE2-CE1 4.27Å; F213-F310 AromaticContact CE2-CE2 3.85Å; F213-F310 HydrophobicContact CE2-CE2 3.85Å; F213-F310 AromaticContact CE2-CG 3.75Å; F213-F310 HydrophobicContact CE2-CG 3.75Å; F213-F310 HydrophobicContact CE2-CZ 4.16Å; F213-F310 HydrophobicContact CZ-CG 4.44Å; S218-F310 WeakPolarHBondContact OG-CZ 3.28Å; R308-F310 WeakPolarHBondContact CD-O 3.22Å; F310-F312 HydrophobicContact CB-CD2 4.06Å; F310-F312 HydrophobicContact CB-CE2 3.72Å; F310-F312 HydrophobicContact CB-CZ 4.22Å; F310-F312 WeakPolarHBondContact O-CD2 3.48Å; F310-F312 PolarHBondContact O-N 2.61Å | ||
| 311 | K | 81.2 | Confident | 87.5 | Confident | 93 Ų | 93 | 77.4 Ų | 77.4 | 40% | 0.404 | 35% | 0.345 | S | S | . | . | trans | -80.1 | 80.9 | 173.6 | -62 | -178.2 | -166.3 | 172.3 | 0 | 107.8 | G230 F309 P313 | G230-K311 WeakPolarHBondContact O-CD 3.47Å; G230-K311 PolarHBondContact O-NZ 2.83Å; F309-K311 VanDerWaalsContact C-N 3.31Å; F309-K311 PolarHBondContact O-N 2.7Å; F309-K311 VanDerWaalsContact O-N 3.1Å; K311-P313 VanDerWaalsContact O-CD 3.29Å; K311-P313 WeakPolarHBondContact O-CD 3.19Å | ||
| 312 | F | 72.1 | Confident | 86.6 | Confident | 51 Ų | 51 | 79.2 Ų | 79.2 | 22% | 0.224 | 35% | 0.349 | C | S | . | . | trans | -70.6 | 122.1 | 173.3 | -64.1 | -87.1 | 0 | 0 | 0 | 109.4 | N166 F213 F310 W314 | N166-F312 HydrophobicContact CB-CE2 4.42Å; N166-F312 VanDerWaalsContact OD1-CE2 3.31Å; N166-F312 WeakPolarHBondContact OD1-CE2 3.39Å; F213-F312 HydrophobicContact CZ-CE2 4.37Å; F213-F312 HydrophobicContact CZ-CZ 4.39Å; F310-F312 HydrophobicContact CB-CD2 4.06Å; F310-F312 HydrophobicContact CB-CE2 3.72Å; F310-F312 HydrophobicContact CB-CZ 4.22Å; F310-F312 WeakPolarHBondContact O-CD2 3.48Å; F310-F312 PolarHBondContact O-N 2.61Å; F312-W314 HydrophobicContact CB-CD2 3.34Å; F312-W314 HydrophobicContact CB-CE3 3.39Å; F312-W314 HydrophobicContact CB-CG 4.35Å; F312-W314 HydrophobicContact CB-CH2 3.03Å; F312-W314 HydrophobicContact CB-CZ2 2.94Å; F312-W314 HydrophobicContact CB-CZ3 3.23Å; F312-W314 HydrophobicContact CD1-CE3 4.32Å; F312-W314 AromaticContact CD1-CH2 3.13Å; F312-W314 HydrophobicContact CD1-CH2 3.13Å; F312-W314 AromaticContact CD1-CZ2 3.91Å; F312-W314 HydrophobicContact CD1-CZ2 3.91Å; F312-W314 AromaticContact CD1-CZ3 3.36Å; F312-W314 HydrophobicContact CD1-CZ3 3.36Å; F312-W314 AromaticContact CD2-CH2 3.23Å; F312-W314 HydrophobicContact CD2-CH2 3.23Å; F312-W314 AromaticContact CD2-CZ2 3.14Å; F312-W314 HydrophobicContact CD2-CZ2 3.14Å; F312-W314 HydrophobicContact CD2-CZ3 4.21Å; F312-W314 AromaticContact CE1-CH2 3.7Å; F312-W314 HydrophobicContact CE1-CH2 3.7Å; F312-W314 HydrophobicContact CE1-CZ3 4.13Å; F312-W314 AromaticContact CE2-CH2 3.78Å; F312-W314 HydrophobicContact CE2-CH2 3.78Å; F312-W314 AromaticContact CE2-CZ2 3.95Å; F312-W314 HydrophobicContact CE2-CZ2 3.95Å; F312-W314 HydrophobicContact CG-CD2 4.33Å; F312-W314 AromaticContact CG-CE2 3.82Å; F312-W314 HydrophobicContact CG-CE3 4.12Å; F312-W314 AromaticContact CG-CH2 2.87Å; F312-W314 HydrophobicContact CG-CH2 2.87Å; F312-W314 AromaticContact CG-CZ2 3.11Å; F312-W314 HydrophobicContact CG-CZ2 3.11Å; F312-W314 AromaticContact CG-CZ3 3.41Å; F312-W314 HydrophobicContact CG-CZ3 3.41Å; F312-W314 VanDerWaalsContact CG-CZ3 3.41Å; F312-W314 AromaticContact CZ-CH2 3.99Å; F312-W314 HydrophobicContact CZ-CH2 3.99Å; F312-W314 PolarHBondContact O-N 3.17Å; F312-W314 VanDerWaalsContact O-N 3.09Å; F312-W314 PolarHBondContact O-NE1 3.28Å | ||
| 313 | P | 59.7 | Low | 85.7 | Confident | 62 Ų | 62 | 76.5 Ų | 76.5 | 40% | 0.403 | 34% | 0.335 | S | S | . | . | trans | -80.6 | 89.4 | 178.2 | 34.4 | -34.8 | 0 | 0 | 0 | 107.9 | I136 I229 K311 | I136-P313 HydrophobicContact CD1-CG 4.35Å; I229-P313 HydrophobicContact CB-CG 4.44Å; I229-P313 HydrophobicContact CD1-CG 4.07Å; I229-P313 HydrophobicContact CG2-CB 4.14Å; I229-P313 HydrophobicContact CG2-CG 3.74Å; K311-P313 VanDerWaalsContact O-CD 3.29Å; K311-P313 WeakPolarHBondContact O-CD 3.19Å | ||
| 314 | W | 58.2 | Low | 84.5 | Confident | 167 Ų | 167 | 82.9 Ų | 82.9 | 63% | 0.633 | 36% | 0.363 | S | S | * | . | trans | -102.7 | 0 | 172 | -0.6 | 89.4 | 0 | 0 | 0 | 110.7 | S113 M115 N166 F312 | S113-W314 WeakPolarHBondContact OG-CZ3 2.97Å; M115-W314 HydrophobicContact CB-CB 4.46Å; M115-W314 HydrophobicContact CB-CE3 4.32Å; M115-W314 HydrophobicContact CG-CB 3.85Å; M115-W314 HydrophobicContact CG-CD2 4.39Å; M115-W314 HydrophobicContact CG-CE3 4.44Å; M115-W314 HydrophobicContact CG-CG 4.25Å; N166-W314 HydrophobicContact CB-CH2 4.29Å; N166-W314 HydrophobicContact CB-CZ2 4.46Å; F312-W314 HydrophobicContact CB-CD2 3.34Å; F312-W314 HydrophobicContact CB-CE3 3.39Å; F312-W314 HydrophobicContact CB-CG 4.35Å; F312-W314 HydrophobicContact CB-CH2 3.03Å; F312-W314 HydrophobicContact CB-CZ2 2.94Å; F312-W314 HydrophobicContact CB-CZ3 3.23Å; F312-W314 HydrophobicContact CD1-CE3 4.32Å; F312-W314 AromaticContact CD1-CH2 3.13Å; F312-W314 HydrophobicContact CD1-CH2 3.13Å; F312-W314 AromaticContact CD1-CZ2 3.91Å; F312-W314 HydrophobicContact CD1-CZ2 3.91Å; F312-W314 AromaticContact CD1-CZ3 3.36Å; F312-W314 HydrophobicContact CD1-CZ3 3.36Å; F312-W314 AromaticContact CD2-CH2 3.23Å; F312-W314 HydrophobicContact CD2-CH2 3.23Å; F312-W314 AromaticContact CD2-CZ2 3.14Å; F312-W314 HydrophobicContact CD2-CZ2 3.14Å; F312-W314 HydrophobicContact CD2-CZ3 4.21Å; F312-W314 AromaticContact CE1-CH2 3.7Å; F312-W314 HydrophobicContact CE1-CH2 3.7Å; F312-W314 HydrophobicContact CE1-CZ3 4.13Å; F312-W314 AromaticContact CE2-CH2 3.78Å; F312-W314 HydrophobicContact CE2-CH2 3.78Å; F312-W314 AromaticContact CE2-CZ2 3.95Å; F312-W314 HydrophobicContact CE2-CZ2 3.95Å; F312-W314 HydrophobicContact CG-CD2 4.33Å; F312-W314 AromaticContact CG-CE2 3.82Å; F312-W314 HydrophobicContact CG-CE3 4.12Å; F312-W314 AromaticContact CG-CH2 2.87Å; F312-W314 HydrophobicContact CG-CH2 2.87Å; F312-W314 AromaticContact CG-CZ2 3.11Å; F312-W314 HydrophobicContact CG-CZ2 3.11Å; F312-W314 AromaticContact CG-CZ3 3.41Å; F312-W314 HydrophobicContact CG-CZ3 3.41Å; F312-W314 VanDerWaalsContact CG-CZ3 3.41Å; F312-W314 AromaticContact CZ-CH2 3.99Å; F312-W314 HydrophobicContact CZ-CH2 3.99Å; F312-W314 PolarHBondContact O-N 3.17Å; F312-W314 VanDerWaalsContact O-N 3.09Å; F312-W314 PolarHBondContact O-NE1 3.28Å |
Retrieved 314 of 314 residues in 385.9 ms
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