| 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 | 94 | Very high | 98.3 | Very high | 40 Ų | 40 | 16.7 Ų | 16.7 | 20% | 0.197 | 9% | 0.088 | C | C | . | . | 0 | 129.8 | 0 | -66.3 | -170.2 | 70.3 | 0 | 0 | 109.9 | V27 P29 L30 T31 D176 V177 F330 I333 V334 K337 | M1-V27 HydrophobicContact CB-CG1 3.95Å; M1-V27 HydrophobicContact CG-CG1 3.93Å; M1-V27 HydrophobicContact SD-CG1 4.26Å; M1-P29 PolarHBondContact N-O 2.81Å; M1-L30 HydrophobicContact CB-CD1 4.45Å; M1-T31 PolarHBondContact O-N 3.35Å; M1-T31 PolarHBondContact O-OG1 2.99Å; M1-D176 WeakPolarHBondContact CA-OD2 3.38Å; M1-D176 HydrophobicContact CE-CB 4.2Å; M1-V177 HydrophobicContact CE-CG2 3.72Å; M1-F330 HydrophobicContact CE-CE2 4.1Å; M1-F330 HydrophobicContact CE-CZ 4.32Å; M1-F330 HydrophobicContact SD-CZ 4.32Å; M1-I333 HydrophobicContact CE-CG2 4.16Å; M1-V334 HydrophobicContact CE-CG2 4.45Å; M1-V334 HydrophobicContact SD-CB 4.45Å; M1-V334 HydrophobicContact SD-CG2 3.74Å; M1-K337 HydrophobicContact CE-CD 3.99Å | |||
| 2 | R | 97.8 | Very high | 98.4 | Very high | 88 Ų | 88 | 15.4 Ų | 15.4 | 33% | 0.332 | 8% | 0.082 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 120.5 | 174 | -70.7 | 175.3 | 66.1 | -159.5 | -2.5 | 109.8 | T31 A173 G174 D176 V177 | R2-T31 VanDerWaalsContact CG-OG1 3.3Å; R2-T31 WeakPolarHBondContact CG-OG1 3.37Å; R2-A173 VanDerWaalsContact CZ-O 3.24Å; R2-A173 PolarHBondContact NH1-O 2.84Å; R2-A173 PolarHBondContact NH2-O 2.71Å; R2-G174 WeakPolarHBondContact CD-O 3.47Å; R2-G174 PolarHBondContact NH1-O 2.86Å; R2-D176 PolarHBondContact N-OD2 3.21Å; R2-D176 WeakPolarHBondContact O-CB 3.32Å; R2-D176 PolarHBondContact O-N 3.13Å; R2-V177 PolarHBondContact O-N 3.12Å |
| 3 | V | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 14.2 Ų | 14.2 | 1% | 0.006 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 123.6 | -179.1 | -176.3 | 0 | 0 | 0 | 0 | 108.9 | V5 I19 L30 T31 I32 E33 V177 I179 F330 | V3-V5 HydrophobicContact CG1-CG2 4.4Å; V3-I19 HydrophobicContact CG1-CD1 4.36Å; V3-L30 HydrophobicContact CG2-CD1 3.95Å; V3-T31 PolarHBondContact N-O 2.8Å; V3-I32 HydrophobicContact CB-CG1 4.36Å; V3-I32 WeakPolarHBondContact O-CA 3.28Å; V3-E33 PolarHBondContact O-N 2.66Å; V3-V177 WeakPolarHBondContact CA-O 3.45Å; V3-I179 HydrophobicContact CG1-CD1 4.32Å; V3-I179 HydrophobicContact CG1-CG1 3.78Å; V3-F330 HydrophobicContact CG2-CD2 4.31Å; V3-F330 HydrophobicContact CG2-CE2 3.41Å; V3-F330 VanDerWaalsContact CG2-CE2 3.41Å; V3-F330 HydrophobicContact CG2-CZ 3.77Å |
| 4 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 124.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | E33 Y35 L170 V175 V177 I178 I179 | A4-E33 CarbonylContact C-O 3.53Å; A4-E33 WeakPolarHBondContact CA-O 3.45Å; A4-Y35 HydrophobicContact CB-CD2 3.97Å; A4-Y35 HydrophobicContact CB-CE2 3.81Å; A4-L170 HydrophobicContact CB-CD1 3.93Å; A4-L170 HydrophobicContact CB-CD2 4.31Å; A4-V175 HydrophobicContact CB-CB 4.41Å; A4-V175 HydrophobicContact CB-CG1 3.66Å; A4-V175 HydrophobicContact CB-CG2 3.87Å; A4-V177 PolarHBondContact N-O 3.03Å; A4-I178 CarbonylContact O-C 3.57Å; A4-I178 WeakPolarHBondContact O-CA 3.36Å; A4-I179 PolarHBondContact O-N 2.89Å |
| 5 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 122.8 | 171.2 | -176.7 | 0 | 0 | 0 | 0 | 108.1 | V3 G12 A16 I32 E33 V34 Y35 I179 | V3-V5 HydrophobicContact CG1-CG2 4.4Å; V5-G12 WeakPolarHBondContact CG1-O 3.42Å; V5-A16 HydrophobicContact CG2-CB 4.07Å; V5-I32 HydrophobicContact CG2-CG2 4.21Å; V5-E33 PolarHBondContact N-O 2.82Å; V5-V34 HydrophobicContact CB-CG2 4.32Å; V5-V34 CarbonylContact O-C 3.53Å; V5-V34 WeakPolarHBondContact O-CA 3.16Å; V5-Y35 PolarHBondContact O-N 2.82Å; V5-I179 WeakPolarHBondContact CA-O 3.37Å; V5-I179 HydrophobicContact CB-CB 4.37Å; V5-I179 HydrophobicContact CG1-CB 4.28Å; V5-I179 HydrophobicContact CG2-CB 4.02Å; V5-I179 HydrophobicContact CG2-CG1 4Å |
| 6 | I | 98.9 | Very high | 98.5 | Very high | 7 Ų | 7 | 11.6 Ų | 11.6 | 4% | 0.036 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 114.7 | 177.8 | -43.3 | 174.1 | 0 | 0 | 0 | 108.7 | Y35 I164 F167 L170 I178 I179 C181 T182 L189 | I6-Y35 CarbonylContact C-O 3.56Å; I6-Y35 WeakPolarHBondContact CA-O 3.36Å; I6-I164 HydrophobicContact CD1-CB 4.33Å; I6-I164 HydrophobicContact CD1-CG1 4.36Å; I6-I164 HydrophobicContact CD1-CG2 3.97Å; I6-I164 HydrophobicContact CG1-CG1 4.34Å; I6-I164 HydrophobicContact CG2-CB 4.19Å; I6-I164 HydrophobicContact CG2-CG1 3.89Å; I6-F167 HydrophobicContact CD1-CD1 4Å; I6-F167 HydrophobicContact CD1-CE1 3.92Å; I6-L170 HydrophobicContact CD1-CD1 3.69Å; I6-L170 HydrophobicContact CG1-CD1 3.87Å; I6-I178 HydrophobicContact CD1-CG2 3.63Å; I6-I178 HydrophobicContact CG1-CG2 3.99Å; I6-I179 PolarHBondContact N-O 2.68Å; I6-C181 CarbonylContact O-C 3.57Å; I6-C181 WeakPolarHBondContact O-CA 3.35Å; I6-C181 VanDerWaalsContact O-CB 3.31Å; I6-C181 WeakPolarHBondContact O-CB 3.37Å; I6-C181 PolarHBondContact O-N 3.2Å; I6-T182 HydrophobicContact CB-CG2 3.85Å; I6-T182 HydrophobicContact CG2-CG2 3.34Å; I6-T182 PolarHBondContact O-N 3.03Å; I6-L189 HydrophobicContact CD1-CD1 3.89Å; I6-L189 HydrophobicContact CG2-CD1 4.45Å |
| 7 | G | 98.8 | Very high | 98.5 | Very high | 11 Ų | 11 | 10.9 Ų | 10.9 | 11% | 0.113 | 6% | 0.058 | C | C | . | . | trans | 115.2 | 130.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G12 Y35 | G7-G12 WeakPolarHBondContact O-CA 3.42Å; G7-Y35 PolarHBondContact N-O 2.79Å | ||
| 8 | A | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 10.3 Ų | 10.3 | 3% | 0.033 | 5% | 0.054 | C | C | . | . | trans | -113.4 | 19.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L13 V34 A36 F39 | A8-L13 HydrophobicContact CB-CD2 4.36Å; A8-V34 HydrophobicContact CB-CG1 4.25Å; A8-A36 HydrophobicContact CB-CB 3.61Å; A8-F39 HydrophobicContact CB-CD1 3.32Å; A8-F39 HydrophobicContact CB-CE1 3.28Å; A8-F39 HydrophobicContact CB-CG 4.21Å; A8-F39 HydrophobicContact CB-CZ 4.16Å | ||
| 9 | G | 98.8 | Very high | 98.6 | Very high | 16 Ų | 16 | 9.7 Ų | 9.7 | 17% | 0.165 | 5% | 0.052 | C | C | . | . | S | Bend | trans | -73.3 | -179.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I11 G12 L13 | G9-I11 PolarHBondContact O-N 2.82Å; G9-I11 VanDerWaalsContact O-N 3.08Å; G9-G12 PolarHBondContact O-N 3.49Å; G9-L13 PolarHBondContact O-N 3.35Å |
| 10 | V | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 10.6 Ų | 10.6 | 1% | 0.006 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -53.5 | -38.4 | -175.7 | 69.5 | 0 | 0 | 0 | 0 | 113 | S14 S45 Y144 L145 L316 H319 | V10-S14 VanDerWaalsContact O-CB 3.25Å; V10-S14 WeakPolarHBondContact O-CB 3.29Å; V10-S14 PolarHBondContact O-N 2.94Å; V10-S14 PolarHBondContact O-OG 3.26Å; V10-S45 PolarHBondContact N-OG 2.95Å; V10-Y144 HydrophobicContact CG2-CD1 3.95Å; V10-Y144 HydrophobicContact CG2-CE1 3.82Å; V10-L145 HydrophobicContact CB-CD1 4.1Å; V10-L316 HydrophobicContact CB-CD2 4.06Å; V10-L316 HydrophobicContact CG1-CD2 4.17Å; V10-L316 HydrophobicContact CG2-CD2 3.92Å; V10-H319 HydrophobicContact CG1-CB 4.13Å; V10-H319 HydrophobicContact CG2-CB 3.74Å |
| 11 | I | 98.9 | Very high | 98.6 | Very high | 16 Ų | 16 | 13.6 Ų | 13.6 | 8% | 0.082 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -68.7 | -46.2 | -175.9 | -55.3 | -61.4 | 0 | 0 | 0 | 112 | G9 S14 A15 C181 N308 H319 | G9-I11 PolarHBondContact O-N 2.82Å; G9-I11 VanDerWaalsContact O-N 3.08Å; I11-S14 PolarHBondContact O-OG 2.9Å; I11-A15 WeakPolarHBondContact O-CB 3.37Å; I11-A15 PolarHBondContact O-N 2.98Å; I11-C181 HydrophobicContact CB-CB 4.47Å; I11-C181 HydrophobicContact CG2-CB 4.15Å; I11-N308 HydrophobicContact CG2-CB 4.15Å; I11-N308 VanDerWaalsContact CG2-CG 3.43Å; I11-N308 WeakPolarHBondContact CG2-ND2 3.37Å; I11-N308 WeakPolarHBondContact CG2-O 3.46Å; I11-N308 WeakPolarHBondContact CG2-OD1 3.36Å; I11-H319 HydrophobicContact CD1-CB 3.85Å |
| 12 | G | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.01 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -68 | -43.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V5 G7 G9 A15 A16 | V5-G12 WeakPolarHBondContact CG1-O 3.42Å; G7-G12 WeakPolarHBondContact O-CA 3.42Å; G9-G12 PolarHBondContact O-N 3.49Å; G12-A15 PolarHBondContact O-N 3.11Å; G12-A16 WeakPolarHBondContact O-CB 3.43Å; G12-A16 PolarHBondContact O-N 3.36Å |
| 13 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -65.5 | -41.8 | 178.2 | -61.5 | -176.8 | 0 | 0 | 0 | 112.2 | A8 G9 A16 Q17 V34 L145 L148 L152 F159 | A8-L13 HydrophobicContact CB-CD2 4.36Å; G9-L13 PolarHBondContact O-N 3.35Å; L13-A16 PolarHBondContact O-N 2.73Å; L13-Q17 WeakPolarHBondContact O-CB 3.46Å; L13-Q17 PolarHBondContact O-N 2.8Å; L13-V34 HydrophobicContact CD2-CG1 4.41Å; L13-L145 HydrophobicContact CD1-CB 4.18Å; L13-L145 HydrophobicContact CD1-CG 4.05Å; L13-L148 HydrophobicContact CB-CB 3.98Å; L13-L148 HydrophobicContact CB-CD1 3.83Å; L13-L148 HydrophobicContact CB-CG 4.46Å; L13-L148 HydrophobicContact CD1-CB 4.03Å; L13-L152 HydrophobicContact CB-CD1 4.35Å; L13-L152 HydrophobicContact CD2-CD1 4.07Å; L13-F159 HydrophobicContact CD2-CE1 3.71Å; L13-F159 HydrophobicContact CD2-CZ 4.31Å |
| 14 | S | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -68.7 | -37.8 | 177 | 67.9 | 0 | 0 | 0 | 0 | 112.3 | V10 I11 Q17 S18 H319 A323 | V10-S14 VanDerWaalsContact O-CB 3.25Å; V10-S14 WeakPolarHBondContact O-CB 3.29Å; V10-S14 PolarHBondContact O-N 2.94Å; V10-S14 PolarHBondContact O-OG 3.26Å; I11-S14 PolarHBondContact O-OG 2.9Å; S14-Q17 PolarHBondContact O-N 3.17Å; S14-S18 WeakPolarHBondContact O-CB 3.41Å; S14-S18 PolarHBondContact O-N 3.3Å; S14-H319 PolarHBondContact OG-O 2.69Å; S14-H319 VanDerWaalsContact OG-O 3.09Å; S14-A323 VanDerWaalsContact C-CB 3.45Å; S14-A323 WeakPolarHBondContact O-CB 3.45Å |
| 15 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.2 | -46.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | I11 G12 Q17 S18 I19 I179 T326 | I11-A15 WeakPolarHBondContact O-CB 3.37Å; I11-A15 PolarHBondContact O-N 2.98Å; G12-A15 PolarHBondContact O-N 3.11Å; A15-Q17 VanDerWaalsContact C-N 3.33Å; A15-Q17 PolarHBondContact O-N 3.26Å; A15-S18 PolarHBondContact O-N 2.64Å; A15-I19 WeakPolarHBondContact O-CG1 3.4Å; A15-I19 PolarHBondContact O-N 2.97Å; A15-I179 HydrophobicContact CB-CG2 4.23Å; A15-T326 HydrophobicContact CB-CG2 4.06Å |
| 16 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.5 | -44.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | V5 G12 L13 F20 I32 V34 L152 | V5-A16 HydrophobicContact CG2-CB 4.07Å; G12-A16 WeakPolarHBondContact O-CB 3.43Å; G12-A16 PolarHBondContact O-N 3.36Å; L13-A16 PolarHBondContact O-N 2.73Å; A16-F20 WeakPolarHBondContact O-CB 3.3Å; A16-F20 PolarHBondContact O-N 3.4Å; A16-I32 HydrophobicContact CB-CG2 4.21Å; A16-V34 HydrophobicContact CB-CG2 4.27Å; A16-L152 HydrophobicContact CB-CD1 4.04Å; A16-L152 HydrophobicContact CB-CD2 3.98Å |
| 17 | Q | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.3 | -50.3 | 177 | 177.9 | -178 | 56.1 | 0 | 0 | 111.3 | L13 S14 A15 I19 F20 E21 L148 W151 L152 | L13-Q17 WeakPolarHBondContact O-CB 3.46Å; L13-Q17 PolarHBondContact O-N 2.8Å; S14-Q17 PolarHBondContact O-N 3.17Å; A15-Q17 VanDerWaalsContact C-N 3.33Å; A15-Q17 PolarHBondContact O-N 3.26Å; Q17-I19 PolarHBondContact O-N 2.79Å; Q17-F20 WeakPolarHBondContact O-CB 3.06Å; Q17-F20 PolarHBondContact O-N 3.05Å; Q17-F20 VanDerWaalsContact O-N 3.16Å; Q17-E21 HydrophobicContact CG-CG 4.29Å; Q17-E21 WeakPolarHBondContact O-CG 3.47Å; Q17-E21 PolarHBondContact O-N 3.4Å; Q17-L148 HydrophobicContact CB-CD2 4.41Å; Q17-L148 VanDerWaalsContact OE1-CD2 3.31Å; Q17-W151 HydrophobicContact CB-CE3 4.39Å; Q17-W151 HydrophobicContact CB-CZ3 4.19Å; Q17-W151 HydrophobicContact CG-CD2 4.3Å; Q17-W151 HydrophobicContact CG-CE3 3.89Å; Q17-W151 HydrophobicContact CG-CH2 3.83Å; Q17-W151 HydrophobicContact CG-CZ2 4.17Å; Q17-W151 HydrophobicContact CG-CZ3 3.66Å; Q17-L152 HydrophobicContact CB-CD2 4.23Å |
| 18 | S | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.2 | -40.6 | -178 | -175.7 | 0 | 0 | 0 | 0 | 112.5 | S14 A15 Q22 A323 Q324 A327 | S14-S18 WeakPolarHBondContact O-CB 3.41Å; S14-S18 PolarHBondContact O-N 3.3Å; A15-S18 PolarHBondContact O-N 2.64Å; S18-Q22 WeakPolarHBondContact O-CB 3.32Å; S18-Q22 WeakPolarHBondContact O-CG 3.49Å; S18-Q22 PolarHBondContact O-N 3.05Å; S18-Q22 VanDerWaalsContact O-N 3.17Å; S18-Q22 PolarHBondContact OG-NE2 2.89Å; S18-Q22 VanDerWaalsContact OG-NE2 3.12Å; S18-A323 VanDerWaalsContact CB-O 3.26Å; S18-A323 WeakPolarHBondContact CB-O 3.22Å; S18-A323 VanDerWaalsContact OG-C 3.32Å; S18-A323 PolarHBondContact OG-O 2.85Å; S18-Q324 WeakPolarHBondContact OG-CA 3.21Å; S18-A327 WeakPolarHBondContact OG-CB 2.96Å |
| 19 | I | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.4 | -45.2 | 173.7 | -68.5 | 168.1 | 0 | 0 | 0 | 110.3 | V3 A15 Q17 Q22 Y23 I32 I179 T326 A327 F330 | V3-I19 HydrophobicContact CG1-CD1 4.36Å; A15-I19 WeakPolarHBondContact O-CG1 3.4Å; A15-I19 PolarHBondContact O-N 2.97Å; Q17-I19 PolarHBondContact O-N 2.79Å; I19-Q22 PolarHBondContact O-N 3.45Å; I19-Y23 WeakPolarHBondContact O-CB 3.39Å; I19-Y23 PolarHBondContact O-N 3.01Å; I19-I32 HydrophobicContact CB-CD1 4.39Å; I19-I32 HydrophobicContact CG2-CD1 3.95Å; I19-I179 HydrophobicContact CD1-CD1 3.86Å; I19-I179 HydrophobicContact CD1-CG1 3.8Å; I19-T326 HydrophobicContact CD1-CG2 4.24Å; I19-A327 HydrophobicContact CG1-CB 4.17Å; I19-F330 HydrophobicContact CG1-CB 4.4Å; I19-F330 HydrophobicContact CG1-CG 4.48Å; I19-F330 HydrophobicContact CG2-CD1 3.95Å; I19-F330 HydrophobicContact CG2-CE1 3.97Å; I19-F330 HydrophobicContact CG2-CG 4.34Å; I19-F330 HydrophobicContact CG2-CZ 4.4Å |
| 20 | F | 98.7 | Very high | 97.6 | Very high | 26 Ų | 26 | 38.4 Ų | 38.4 | 11% | 0.114 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.5 | -52.2 | 178.6 | -173.5 | -80.3 | 0 | 0 | 0 | 111.5 | A16 Q17 Q22 Y23 H24 I32 W151 R155 V157 | A16-F20 WeakPolarHBondContact O-CB 3.3Å; A16-F20 PolarHBondContact O-N 3.4Å; Q17-F20 WeakPolarHBondContact O-CB 3.06Å; Q17-F20 PolarHBondContact O-N 3.05Å; Q17-F20 VanDerWaalsContact O-N 3.16Å; F20-Q22 PolarHBondContact O-N 3.3Å; F20-Y23 PolarHBondContact O-N 3.2Å; F20-H24 HydrophobicContact CD1-CB 4.13Å; F20-H24 HydrophobicContact CD2-CB 4.16Å; F20-H24 HydrophobicContact CE1-CB 3.92Å; F20-H24 AromaticContact CE1-CG 3.9Å; F20-H24 HydrophobicContact CE2-CB 3.98Å; F20-H24 AromaticContact CE2-CG 3.66Å; F20-H24 AromaticContact CE2-ND1 3.55Å; F20-H24 HydrophobicContact CG-CB 4.23Å; F20-H24 HydrophobicContact CZ-CB 3.84Å; F20-H24 AromaticContact CZ-CD2 3.58Å; F20-H24 AromaticContact CZ-CE1 3.96Å; F20-H24 AromaticContact CZ-CG 3.39Å; F20-H24 AromaticContact CZ-ND1 3.65Å; F20-H24 AromaticContact CZ-NE2 3.93Å; F20-H24 WeakPolarHBondContact O-CB 3.37Å; F20-H24 PolarHBondContact O-N 3.41Å; F20-I32 HydrophobicContact CB-CD1 3.87Å; F20-I32 HydrophobicContact CD2-CD1 4.19Å; F20-W151 HydrophobicContact CB-CZ3 4.38Å; F20-W151 AromaticContact CD1-CH2 3.84Å; F20-W151 HydrophobicContact CD1-CH2 3.84Å; F20-W151 HydrophobicContact CD1-CZ3 4.1Å; F20-W151 HydrophobicContact CG-CH2 4.5Å; F20-W151 HydrophobicContact CG-CZ3 4.37Å; F20-R155 HydrophobicContact CD1-CB 4.46Å; F20-R155 HydrophobicContact CD2-CB 4.33Å; F20-R155 HydrophobicContact CE1-CB 3.93Å; F20-R155 VanDerWaalsContact CE1-CD 3.48Å; F20-R155 HydrophobicContact CE1-CG 3.84Å; F20-R155 HydrophobicContact CE2-CB 3.77Å; F20-R155 WeakPolarHBondContact CE2-O 3.19Å; F20-R155 HydrophobicContact CZ-CB 3.56Å; F20-R155 HydrophobicContact CZ-CG 3.86Å; F20-V157 HydrophobicContact CD2-CG2 4.32Å |
| 21 | E | 98.3 | Very high | 97.6 | Very high | 75 Ų | 75 | 41.4 Ų | 41.4 | 35% | 0.35 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -56.9 | -38.8 | -177.6 | -72.6 | 176.9 | 151.4 | 0 | 0 | 112.3 | Q17 W151 R320 | Q17-E21 HydrophobicContact CG-CG 4.29Å; Q17-E21 WeakPolarHBondContact O-CG 3.47Å; Q17-E21 PolarHBondContact O-N 3.4Å; E21-W151 HydrophobicContact CG-CH2 3.52Å; E21-W151 HydrophobicContact CG-CZ2 3.79Å; E21-W151 WeakPolarHBondContact OE1-CZ2 3.47Å; E21-R320 IonicContact OE1-NH1 3.3Å; E21-R320 IonicContact OE2-CZ 2.89Å; E21-R320 VanDerWaalsContact OE2-CZ 3.26Å; E21-R320 IonicContact OE2-NH1 3.87Å; E21-R320 PolarHBondContact OE2-NH1 3.26Å; E21-R320 IonicContact OE2-NH2 3.98Å; E21-R320 PolarHBondContact OE2-NH2 3.13Å |
| 22 | Q | 98.3 | Very high | 97.6 | Very high | 71 Ų | 71 | 41 Ų | 41 | 33% | 0.332 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -88.5 | -31.4 | -174.8 | -65.3 | -176.7 | 43.2 | 0 | 0 | 113.8 | S18 I19 F20 I26 | S18-Q22 WeakPolarHBondContact O-CB 3.32Å; S18-Q22 WeakPolarHBondContact O-CG 3.49Å; S18-Q22 PolarHBondContact O-N 3.05Å; S18-Q22 VanDerWaalsContact O-N 3.17Å; S18-Q22 PolarHBondContact OG-NE2 2.89Å; S18-Q22 VanDerWaalsContact OG-NE2 3.12Å; I19-Q22 PolarHBondContact O-N 3.45Å; F20-Q22 PolarHBondContact O-N 3.3Å; Q22-I26 VanDerWaalsContact O-CD1 3.27Å; Q22-I26 WeakPolarHBondContact O-CD1 3.39Å |
| 23 | Y | 98 | Very high | 97.6 | Very high | 35 Ų | 35 | 42 Ų | 42 | 14% | 0.137 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -121.4 | -8.5 | -167 | -64.6 | -78.9 | 0 | 0 | 0 | 115.6 | I19 F20 S25 I26 V27 A327 F330 G331 | I19-Y23 WeakPolarHBondContact O-CB 3.39Å; I19-Y23 PolarHBondContact O-N 3.01Å; F20-Y23 PolarHBondContact O-N 3.2Å; Y23-S25 VanDerWaalsContact C-N 3.28Å; Y23-S25 PolarHBondContact O-N 3.47Å; Y23-I26 HydrophobicContact CD1-CD1 4.33Å; Y23-I26 PolarHBondContact O-N 3.4Å; Y23-V27 HydrophobicContact CD1-CG2 4.48Å; Y23-V27 PolarHBondContact O-N 3.19Å; Y23-A327 HydrophobicContact CE2-CB 4.11Å; Y23-A327 WeakPolarHBondContact CE2-O 3.17Å; Y23-A327 PolarHBondContact OH-O 3.32Å; Y23-F330 HydrophobicContact CD1-CD1 4.4Å; Y23-F330 HydrophobicContact CD1-CE1 4.39Å; Y23-F330 AromaticContact CD2-CD1 3.62Å; Y23-F330 HydrophobicContact CD2-CD1 3.62Å; Y23-F330 HydrophobicContact CD2-CE1 4.05Å; Y23-F330 AromaticContact CE2-CD1 3.98Å; Y23-F330 HydrophobicContact CE2-CD1 3.98Å; Y23-F330 AromaticContact CG-CD1 3.86Å; Y23-F330 HydrophobicContact CG-CD1 3.86Å; Y23-F330 AromaticContact CG-CE1 3.85Å; Y23-F330 HydrophobicContact CG-CE1 3.85Å; Y23-G331 VanDerWaalsContact CZ-CA 3.45Å; Y23-G331 VanDerWaalsContact OH-CA 3.22Å; Y23-G331 WeakPolarHBondContact OH-CA 3.39Å |
| 24 | H | 96.4 | Very high | 97.6 | Very high | 101 Ų | 101 | 42 Ų | 42 | 47% | 0.468 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -36.1 | 179.8 | 174.7 | 68.4 | 0 | 0 | 0 | 113.4 | F20 L30 | F20-H24 HydrophobicContact CD1-CB 4.13Å; F20-H24 HydrophobicContact CD2-CB 4.16Å; F20-H24 HydrophobicContact CE1-CB 3.92Å; F20-H24 AromaticContact CE1-CG 3.9Å; F20-H24 HydrophobicContact CE2-CB 3.98Å; F20-H24 AromaticContact CE2-CG 3.66Å; F20-H24 AromaticContact CE2-ND1 3.55Å; F20-H24 HydrophobicContact CG-CB 4.23Å; F20-H24 HydrophobicContact CZ-CB 3.84Å; F20-H24 AromaticContact CZ-CD2 3.58Å; F20-H24 AromaticContact CZ-CE1 3.96Å; F20-H24 AromaticContact CZ-CG 3.39Å; F20-H24 AromaticContact CZ-ND1 3.65Å; F20-H24 AromaticContact CZ-NE2 3.93Å; F20-H24 WeakPolarHBondContact O-CB 3.37Å; F20-H24 PolarHBondContact O-N 3.41Å; H24-L30 HydrophobicContact CB-CD2 4.43Å |
| 25 | S | 95.4 | Very high | 97.6 | Very high | 109 Ų | 109 | 43.1 Ų | 43.1 | 76% | 0.762 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -13.1 | 176.8 | 56.9 | 0 | 0 | 0 | 0 | 114.2 | Y23 | Y23-S25 VanDerWaalsContact C-N 3.28Å; Y23-S25 PolarHBondContact O-N 3.47Å |
| 26 | I | 95.1 | Very high | 97.5 | Very high | 114 Ų | 114 | 43.3 Ų | 43.3 | 59% | 0.585 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | -38.5 | -172.9 | -55.7 | 178.4 | 0 | 0 | 0 | 111.1 | Q22 Y23 | Q22-I26 VanDerWaalsContact O-CD1 3.27Å; Q22-I26 WeakPolarHBondContact O-CD1 3.39Å; Y23-I26 HydrophobicContact CD1-CD1 4.33Å; Y23-I26 PolarHBondContact O-N 3.4Å |
| 27 | V | 95.5 | Very high | 97.5 | Very high | 15 Ų | 15 | 46 Ų | 46 | 9% | 0.091 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -106.9 | 116.5 | -175.8 | 179.6 | 0 | 0 | 0 | 0 | 109.2 | M1 Y23 L30 V334 | M1-V27 HydrophobicContact CB-CG1 3.95Å; M1-V27 HydrophobicContact CG-CG1 3.93Å; M1-V27 HydrophobicContact SD-CG1 4.26Å; Y23-V27 HydrophobicContact CD1-CG2 4.48Å; Y23-V27 PolarHBondContact O-N 3.19Å; V27-L30 HydrophobicContact CB-CB 4.15Å; V27-L30 HydrophobicContact CG1-CB 4.14Å; V27-L30 HydrophobicContact CG1-CD1 4.28Å; V27-L30 WeakPolarHBondContact O-CB 3.37Å; V27-L30 PolarHBondContact O-N 3.23Å; V27-V334 HydrophobicContact CG2-CG1 3.74Å; V27-V334 HydrophobicContact CG2-CG2 3.92Å |
| 28 | S | 93.6 | Very high | 97.5 | Very high | 120 Ų | 120 | 50.8 Ų | 50.8 | 84% | 0.839 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -130 | 125 | 178.4 | -171 | 0 | 0 | 0 | 0 | 111.9 | ||
| 29 | P | 93.9 | Very high | 97.5 | Very high | 99 Ų | 99 | 53.1 Ų | 53.1 | 64% | 0.643 | 29% | 0.286 | S | S | * | . | S | Bend | cis | -74.3 | 136.8 | -8.1 | 30.3 | -33.3 | 0 | 0 | 0 | 111.6 | M1 | M1-P29 PolarHBondContact N-O 2.81Š|
| 30 | L | 97.6 | Very high | 97.4 | Very high | 24 Ų | 24 | 55.3 Ų | 55.3 | 13% | 0.126 | 30% | 0.299 | C | S | . | . | trans | -104.2 | 121.3 | 164 | 179.5 | 64.4 | 0 | 0 | 0 | 109.2 | M1 V3 H24 V27 I32 F330 | M1-L30 HydrophobicContact CB-CD1 4.45Å; V3-L30 HydrophobicContact CG2-CD1 3.95Å; H24-L30 HydrophobicContact CB-CD2 4.43Å; V27-L30 HydrophobicContact CB-CB 4.15Å; V27-L30 HydrophobicContact CG1-CB 4.14Å; V27-L30 HydrophobicContact CG1-CD1 4.28Å; V27-L30 WeakPolarHBondContact O-CB 3.37Å; V27-L30 PolarHBondContact O-N 3.23Å; L30-I32 HydrophobicContact CD1-CG1 4.47Å; L30-I32 HydrophobicContact CD2-CD1 4.3Å; L30-I32 HydrophobicContact CG-CG1 4.24Å; L30-F330 HydrophobicContact CD1-CE1 4.48Å; L30-F330 HydrophobicContact CD1-CZ 3.98Å | ||
| 31 | T | 98.1 | Very high | 97.3 | Very high | 63 Ų | 63 | 57.9 Ų | 57.9 | 39% | 0.387 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 130 | 175 | 23.3 | 0 | 0 | 0 | 0 | 108.9 | M1 R2 V3 | M1-T31 PolarHBondContact O-N 3.35Å; M1-T31 PolarHBondContact O-OG1 2.99Å; R2-T31 VanDerWaalsContact CG-OG1 3.3Å; R2-T31 WeakPolarHBondContact CG-OG1 3.37Å; V3-T31 PolarHBondContact N-O 2.8Å |
| 32 | I | 98.8 | Very high | 97.3 | Very high | 9 Ų | 9 | 59.9 Ų | 59.9 | 5% | 0.046 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 130.4 | 178.3 | -53.6 | 176 | 0 | 0 | 0 | 108 | V3 V5 A16 I19 F20 L30 V157 K158 | V3-I32 HydrophobicContact CB-CG1 4.36Å; V3-I32 WeakPolarHBondContact O-CA 3.28Å; V5-I32 HydrophobicContact CG2-CG2 4.21Å; A16-I32 HydrophobicContact CB-CG2 4.21Å; I19-I32 HydrophobicContact CB-CD1 4.39Å; I19-I32 HydrophobicContact CG2-CD1 3.95Å; F20-I32 HydrophobicContact CB-CD1 3.87Å; F20-I32 HydrophobicContact CD2-CD1 4.19Å; L30-I32 HydrophobicContact CD1-CG1 4.47Å; L30-I32 HydrophobicContact CD2-CD1 4.3Å; L30-I32 HydrophobicContact CG-CG1 4.24Å; I32-V157 HydrophobicContact CB-CG1 4.26Å; I32-V157 HydrophobicContact CB-CG2 4.15Å; I32-V157 HydrophobicContact CG2-CG1 4.04Å; I32-K158 PolarHBondContact O-N 3.05Å |
| 33 | E | 98.9 | Very high | 97.3 | Very high | 22 Ų | 22 | 57.2 Ų | 57.2 | 10% | 0.103 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 129.6 | 179.8 | -62 | -173.1 | 135.3 | 0 | 0 | 109.2 | V3 A4 V5 Y35 K158 Y160 | V3-E33 PolarHBondContact O-N 2.66Å; A4-E33 CarbonylContact C-O 3.53Å; A4-E33 WeakPolarHBondContact CA-O 3.45Å; V5-E33 PolarHBondContact N-O 2.82Å; E33-Y35 HydrophobicContact CB-CD2 4.28Å; E33-Y35 HydrophobicContact CB-CE2 3.51Å; E33-Y35 PolarHBondContact OE2-OH 2.9Å; E33-K158 CarbonylContact C-O 3.57Å; E33-K158 WeakPolarHBondContact CA-O 3.37Å; E33-K158 HydrophobicContact CG-CB 4.37Å; E33-Y160 HydrophobicContact CB-CD2 4.29Å; E33-Y160 HydrophobicContact CB-CE2 3.86Å; E33-Y160 HydrophobicContact CG-CE2 3.88Å; E33-Y160 WeakPolarHBondContact OE1-CE2 3.24Å; E33-Y160 PolarHBondContact OE1-OH 2.98Å |
| 34 | V | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 121.7 | 176.8 | -179.5 | 0 | 0 | 0 | 0 | 108.9 | V5 A8 L13 A16 V157 K158 F159 Y160 | V5-V34 HydrophobicContact CB-CG2 4.32Å; V5-V34 CarbonylContact O-C 3.53Å; V5-V34 WeakPolarHBondContact O-CA 3.16Å; A8-V34 HydrophobicContact CB-CG1 4.25Å; L13-V34 HydrophobicContact CD2-CG1 4.41Å; A16-V34 HydrophobicContact CB-CG2 4.27Å; V34-V157 HydrophobicContact CG2-CG1 3.94Å; V34-K158 PolarHBondContact N-O 3.06Å; V34-F159 HydrophobicContact CB-CD1 3.65Å; V34-F159 HydrophobicContact CB-CE1 3.77Å; V34-F159 HydrophobicContact CB-CG 4.34Å; V34-F159 HydrophobicContact CG1-CD1 3.94Å; V34-F159 HydrophobicContact CG1-CE1 3.97Å; V34-F159 HydrophobicContact CG2-CD1 4.21Å; V34-F159 HydrophobicContact CG2-CE1 3.84Å; V34-F159 HydrophobicContact CG2-CZ 4.18Å; V34-F159 CarbonylContact O-C 3.53Å; V34-F159 WeakPolarHBondContact O-CA 3.49Å; V34-Y160 PolarHBondContact O-N 3.31Å |
| 35 | Y | 98.9 | Very high | 97.4 | Very high | 22 Ų | 22 | 54.3 Ų | 54.3 | 9% | 0.086 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 128.1 | 176.6 | -63.3 | -93.8 | 0 | 0 | 0 | 109.3 | A4 V5 I6 G7 E33 Y160 K162 I164 L170 | A4-Y35 HydrophobicContact CB-CD2 3.97Å; A4-Y35 HydrophobicContact CB-CE2 3.81Å; V5-Y35 PolarHBondContact O-N 2.82Å; I6-Y35 CarbonylContact C-O 3.56Å; I6-Y35 WeakPolarHBondContact CA-O 3.36Å; G7-Y35 PolarHBondContact N-O 2.79Å; E33-Y35 HydrophobicContact CB-CD2 4.28Å; E33-Y35 HydrophobicContact CB-CE2 3.51Å; E33-Y35 PolarHBondContact OE2-OH 2.9Å; Y35-Y160 AromaticContact CD1-CD2 3.99Å; Y35-Y160 HydrophobicContact CD1-CD2 3.99Å; Y35-Y160 HydrophobicContact CD1-CG 4.12Å; Y35-Y160 AromaticContact CE1-CD2 3.53Å; Y35-Y160 HydrophobicContact CE1-CD2 3.53Å; Y35-Y160 HydrophobicContact CE1-CE2 4.22Å; Y35-Y160 AromaticContact CE1-CG 3.79Å; Y35-Y160 HydrophobicContact CE1-CG 3.79Å; Y35-Y160 HydrophobicContact CE2-CD2 4.23Å; Y35-Y160 AromaticContact CZ-CD2 3.66Å; Y35-Y160 AromaticContact CZ-CE2 3.98Å; Y35-K162 HydrophobicContact CD1-CB 4.22Å; Y35-K162 HydrophobicContact CD1-CD 4.18Å; Y35-K162 HydrophobicContact CE1-CD 4.41Å; Y35-I164 HydrophobicContact CD1-CD1 3.93Å; Y35-I164 HydrophobicContact CG-CD1 4Å; Y35-I164 HydrophobicContact CG-CG1 4.5Å; Y35-L170 HydrophobicContact CD2-CD2 4.27Å; Y35-L170 HydrophobicContact CE1-CD2 4.44Å; Y35-L170 HydrophobicContact CE2-CD2 4.04Å |
| 36 | A | 98.8 | Very high | 97.5 | Very high | 4 Ų | 4 | 49.3 Ų | 49.3 | 3% | 0.033 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 152.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111 | A8 R38 F39 Y160 H161 K162 | A8-A36 HydrophobicContact CB-CB 3.61Å; A36-R38 WeakPolarHBondContact CB-O 3.27Å; A36-F39 HydrophobicContact CB-CD2 4.49Å; A36-F39 HydrophobicContact CB-CE1 4.17Å; A36-F39 HydrophobicContact CB-CE2 3.93Å; A36-F39 HydrophobicContact CB-CZ 3.76Å; A36-F39 WeakPolarHBondContact O-CE2 3.31Å; A36-Y160 PolarHBondContact N-O 3.37Å; A36-Y160 VanDerWaalsContact N-O 3.13Å; A36-H161 CarbonylContact O-C 3.49Å; A36-H161 WeakPolarHBondContact O-CA 3.35Å; A36-H161 PolarHBondContact O-CD2 2.88Å; A36-K162 CarbonylContact C-O 3.45Å; A36-K162 VanDerWaalsContact C-O 3.26Å; A36-K162 PolarHBondContact O-N 2.89Å |
| 37 | D | 98.4 | Very high | 97.4 | Very high | 57 Ų | 57 | 44 Ų | 44 | 31% | 0.305 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -92.4 | -15.4 | 171.5 | 65.4 | -8.9 | 0 | 0 | 0 | 113.2 | H161 K163 R185 | D37-H161 PolarHBondContact O-CD2 2.7Å; D37-H161 PolarHBondContact O-NE2 2.92Å; D37-K163 HydrophobicContact CB-CB 3.97Å; D37-K163 HydrophobicContact CB-CG 4.42Å; D37-R185 IonicContact OD1-NH1 3.37Å; D37-R185 IonicContact OD2-CZ 2.95Å; D37-R185 IonicContact OD2-NH1 3.25Å; D37-R185 PolarHBondContact OD2-NH1 3.07Å |
| 38 | R | 98.1 | Very high | 97.5 | Very high | 101 Ų | 101 | 44.9 Ų | 44.9 | 38% | 0.381 | 26% | 0.261 | S | S | . | . | trans | -129 | 133.7 | 170.7 | -58.8 | -168.2 | -174.7 | -170.8 | 7.1 | 110.4 | A36 L42 E249 | A36-R38 WeakPolarHBondContact CB-O 3.27Å; R38-L42 HydrophobicContact CB-CB 4.38Å; R38-L42 VanDerWaalsContact CD-O 3.28Å; R38-L42 WeakPolarHBondContact CD-O 3.21Å; R38-E249 IonicContact CZ-OE1 3.84Å; R38-E249 IonicContact CZ-OE2 3.79Å; R38-E249 IonicContact NH1-OE1 2.78Å; R38-E249 IonicContact NH1-OE2 3.65Å; R38-E249 PolarHBondContact NH1-OE2 3.25Å; R38-E249 IonicContact NH2-OE1 2.79Å; R38-E249 PolarHBondContact NH2-OE1 3.02Å; R38-E249 IonicContact NH2-OE2 2.73Å; R38-E249 PolarHBondContact NH2-OE2 3.32Å | ||
| 39 | F | 98.4 | Very high | 97.7 | Very high | 49 Ų | 49 | 40.3 Ų | 40.3 | 22% | 0.215 | 23% | 0.23 | C | C | . | . | trans | -120 | 169.5 | 170.4 | -71.7 | -86.1 | 0 | 0 | 0 | 109.4 | A8 A36 L42 F159 H161 | A8-F39 HydrophobicContact CB-CD1 3.32Å; A8-F39 HydrophobicContact CB-CE1 3.28Å; A8-F39 HydrophobicContact CB-CG 4.21Å; A8-F39 HydrophobicContact CB-CZ 4.16Å; A36-F39 HydrophobicContact CB-CD2 4.49Å; A36-F39 HydrophobicContact CB-CE1 4.17Å; A36-F39 HydrophobicContact CB-CE2 3.93Å; A36-F39 HydrophobicContact CB-CZ 3.76Å; A36-F39 WeakPolarHBondContact O-CE2 3.31Å; F39-L42 WeakPolarHBondContact O-CA 3.22Å; F39-L42 WeakPolarHBondContact O-CB 3.28Å; F39-L42 PolarHBondContact O-N 2.84Å; F39-F159 AromaticContact CE1-CD1 3.84Å; F39-F159 HydrophobicContact CE1-CD1 3.84Å; F39-H161 HydrophobicContact CE2-CB 4.13Å | ||
| 40 | T | 97.6 | Very high | 97.8 | Very high | 46 Ų | 46 | 35.8 Ų | 35.8 | 28% | 0.282 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | 133.5 | 170.5 | -70.3 | 0 | 0 | 0 | 0 | 111.1 | D46 L145 P146 | T40-D46 WeakPolarHBondContact CA-OD2 3.47Å; T40-D46 WeakPolarHBondContact CB-OD1 3.39Å; T40-D46 VanDerWaalsContact CG2-OD1 3.23Å; T40-D46 WeakPolarHBondContact CG2-OD1 3.35Å; T40-D46 PolarHBondContact OG1-OD1 2.78Å; T40-L145 WeakPolarHBondContact OG1-CB 3.48Å; T40-L145 VanDerWaalsContact OG1-CD2 3.28Å; T40-L145 WeakPolarHBondContact OG1-CD2 3.49Å; T40-P146 HydrophobicContact CG2-CG 3.84Å |
| 41 | P | 96.5 | Very high | 97.9 | Very high | 80 Ų | 80 | 35.5 Ų | 35.5 | 52% | 0.519 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -96.8 | 25 | 9.3 | 38.9 | -36.6 | 0 | 0 | 0 | 115.3 | D46 | P41-D46 VanDerWaalsContact C-OD2 3.23Š|
| 42 | L | 97.3 | Very high | 97.9 | Very high | 116 Ų | 116 | 32.5 Ų | 32.5 | 61% | 0.607 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -105.1 | 14.3 | -168.4 | -56.2 | 176.8 | 0 | 0 | 0 | 114.3 | R38 F39 D46 | R38-L42 HydrophobicContact CB-CB 4.38Å; R38-L42 VanDerWaalsContact CD-O 3.28Å; R38-L42 WeakPolarHBondContact CD-O 3.21Å; F39-L42 WeakPolarHBondContact O-CA 3.22Å; F39-L42 WeakPolarHBondContact O-CB 3.28Å; F39-L42 PolarHBondContact O-N 2.84Å; L42-D46 PolarHBondContact N-OD2 3.29Å |
| 43 | T | 98.3 | Very high | 97.9 | Very high | 15 Ų | 15 | 32.4 Ų | 32.4 | 9% | 0.092 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -96 | 157.6 | 177.9 | 78.2 | 0 | 0 | 0 | 0 | 111.5 | S45 D46 L145 | T43-S45 PolarHBondContact O-N 3.01Å; T43-S45 VanDerWaalsContact O-N 3.17Å; T43-S45 WeakPolarHBondContact OG1-CB 3.29Å; T43-S45 PolarHBondContact OG1-N 2.88Å; T43-D46 WeakPolarHBondContact CA-OD2 3.44Å; T43-D46 VanDerWaalsContact CB-OD2 3.29Å; T43-D46 WeakPolarHBondContact CB-OD2 3.11Å; T43-D46 PolarHBondContact N-OD2 3.44Å; T43-D46 WeakPolarHBondContact O-CB 3.43Å; T43-D46 PolarHBondContact O-N 3.25Å; T43-D46 PolarHBondContact OG1-N 2.92Å; T43-D46 PolarHBondContact OG1-OD2 3.28Å; T43-L145 HydrophobicContact CG2-CD2 4.34Å; T43-L145 WeakPolarHBondContact OG1-CD2 3.27Å |
| 44 | T | 98.2 | Very high | 97.8 | Very high | 57 Ų | 57 | 31.6 Ų | 31.6 | 35% | 0.35 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -56.9 | -30 | 170.5 | -51.4 | 0 | 0 | 0 | 0 | 112.1 | D46 G47 A48 W279 L282 | T44-D46 VanDerWaalsContact C-N 3.3Å; T44-D46 PolarHBondContact O-N 2.64Å; T44-G47 PolarHBondContact O-N 3.41Å; T44-A48 PolarHBondContact O-N 3.32Å; T44-W279 HydrophobicContact CG2-CH2 4.38Å; T44-L282 WeakPolarHBondContact CG2-O 3.47Å; T44-L282 PolarHBondContact OG1-O 2.8Å |
| 45 | S | 98.3 | Very high | 97.6 | Very high | 19 Ų | 19 | 34.3 Ų | 34.3 | 13% | 0.133 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.4 | -31.5 | 178 | -58 | 0 | 0 | 0 | 0 | 112.5 | V10 T43 A48 G141 | V10-S45 PolarHBondContact N-OG 2.95Å; T43-S45 PolarHBondContact O-N 3.01Å; T43-S45 VanDerWaalsContact O-N 3.17Å; T43-S45 WeakPolarHBondContact OG1-CB 3.29Å; T43-S45 PolarHBondContact OG1-N 2.88Å; S45-A48 WeakPolarHBondContact O-CB 3.24Å; S45-A48 PolarHBondContact O-N 3.22Å; S45-G141 WeakPolarHBondContact O-CA 3.33Å |
| 46 | D | 97.6 | Very high | 97.2 | Very high | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.2 | -35.7 | 179.7 | -64.2 | -69.2 | 0 | 0 | 0 | 112.5 | T40 P41 L42 T43 T44 K142 | T40-D46 WeakPolarHBondContact CA-OD2 3.47Å; T40-D46 WeakPolarHBondContact CB-OD1 3.39Å; T40-D46 VanDerWaalsContact CG2-OD1 3.23Å; T40-D46 WeakPolarHBondContact CG2-OD1 3.35Å; T40-D46 PolarHBondContact OG1-OD1 2.78Å; P41-D46 VanDerWaalsContact C-OD2 3.23Å; L42-D46 PolarHBondContact N-OD2 3.29Å; T43-D46 WeakPolarHBondContact CA-OD2 3.44Å; T43-D46 VanDerWaalsContact CB-OD2 3.29Å; T43-D46 WeakPolarHBondContact CB-OD2 3.11Å; T43-D46 PolarHBondContact N-OD2 3.44Å; T43-D46 WeakPolarHBondContact O-CB 3.43Å; T43-D46 PolarHBondContact O-N 3.25Å; T43-D46 PolarHBondContact OG1-N 2.92Å; T43-D46 PolarHBondContact OG1-OD2 3.28Å; T44-D46 VanDerWaalsContact C-N 3.3Å; T44-D46 PolarHBondContact O-N 2.64Å; D46-K142 HydrophobicContact CB-CG 4.09Å; D46-K142 VanDerWaalsContact O-CG 3.26Å; D46-K142 WeakPolarHBondContact O-CG 3.43Å |
| 47 | G | 94.8 | Very high | 96.8 | Very high | 3 Ų | 3 | 38.3 Ų | 38.3 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -90.9 | -1.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | T44 I202 W279 | T44-G47 PolarHBondContact O-N 3.41Å; G47-I202 WeakPolarHBondContact O-CD1 3.21Å; G47-W279 VanDerWaalsContact CA-CH2 3.47Å; G47-W279 VanDerWaalsContact CA-CZ2 3.46Å |
| 48 | A | 96.8 | Very high | 96.2 | Very high | 33 Ų | 33 | 38 Ų | 38 | 27% | 0.273 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -57.7 | 146 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | T44 S45 G50 L316 | T44-A48 PolarHBondContact O-N 3.32Å; S45-A48 WeakPolarHBondContact O-CB 3.24Å; S45-A48 PolarHBondContact O-N 3.22Å; A48-G50 PolarHBondContact O-N 3.14Å; A48-G50 VanDerWaalsContact O-N 3.14Å; A48-L316 HydrophobicContact CB-CD1 3.51Å; A48-L316 HydrophobicContact CB-CG 4.26Å |
| 49 | A | 97.3 | Very high | 95.7 | Very high | 23 Ų | 23 | 42.8 Ų | 42.8 | 19% | 0.19 | 23% | 0.226 | C | C | . | . | trans | -62.8 | -23.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | M138 Y228 I230 T237 | A49-M138 WeakPolarHBondContact O-CE 3.35Å; A49-Y228 HydrophobicContact CB-CE2 4.41Å; A49-I230 HydrophobicContact CB-CD1 3.66Å; A49-T237 HydrophobicContact CB-CG2 3.88Å | ||
| 50 | G | 96.8 | Very high | 95.2 | Very high | 4 Ų | 4 | 43.3 Ų | 43.3 | 4% | 0.041 | 25% | 0.245 | C | C | . | . | trans | 94.2 | -5.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115 | A48 M138 V139 | A48-G50 PolarHBondContact O-N 3.14Å; A48-G50 VanDerWaalsContact O-N 3.14Å; G50-M138 CarbonylContact O-C 3.53Å; G50-M138 WeakPolarHBondContact O-CA 3.39Å; G50-V139 WeakPolarHBondContact CA-O 3.37Å; G50-V139 PolarHBondContact O-N 2.99Å | ||
| 51 | F | 98.3 | Very high | 94.8 | Very high | 18 Ų | 18 | 43.1 Ų | 43.1 | 8% | 0.079 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -81.8 | 132.3 | -178.1 | -172.9 | -128.5 | 0 | 0 | 0 | 112.6 | Q53 A136 M138 W213 I215 I230 | F51-Q53 HydrophobicContact CD1-CB 3.61Å; F51-Q53 HydrophobicContact CE1-CB 3.57Å; F51-Q53 HydrophobicContact CE1-CG 4.16Å; F51-Q53 PolarHBondContact O-N 2.65Å; F51-Q53 VanDerWaalsContact O-N 3.16Å; F51-A136 HydrophobicContact CE2-CB 3.68Å; F51-A136 HydrophobicContact CZ-CB 3.81Å; F51-M138 HydrophobicContact CB-SD 3.88Å; F51-M138 HydrophobicContact CD2-SD 3.78Å; F51-M138 HydrophobicContact CG-SD 4.31Å; F51-W213 HydrophobicContact CD2-CG 4.43Å; F51-W213 AromaticContact CE1-CD2 3.86Å; F51-W213 HydrophobicContact CE1-CD2 3.86Å; F51-W213 AromaticContact CE1-CE2 3.88Å; F51-W213 HydrophobicContact CE1-CE3 4.11Å; F51-W213 HydrophobicContact CE1-CG 4.29Å; F51-W213 HydrophobicContact CE1-CH2 4.46Å; F51-W213 HydrophobicContact CE1-CZ2 4.22Å; F51-W213 HydrophobicContact CE1-CZ3 4.37Å; F51-W213 AromaticContact CE2-CD1 3.42Å; F51-W213 VanDerWaalsContact CE2-CD1 3.42Å; F51-W213 HydrophobicContact CE2-CD2 4.14Å; F51-W213 AromaticContact CE2-CE2 3.74Å; F51-W213 HydrophobicContact CE2-CG 4.01Å; F51-W213 HydrophobicContact CE2-CZ2 4.46Å; F51-W213 AromaticContact CE2-NE1 3.24Å; F51-W213 AromaticContact CZ-CD1 3.7Å; F51-W213 AromaticContact CZ-CD2 3.6Å; F51-W213 HydrophobicContact CZ-CD2 3.6Å; F51-W213 AromaticContact CZ-CE2 3.19Å; F51-W213 HydrophobicContact CZ-CE3 4.25Å; F51-W213 AromaticContact CZ-CG 3.96Å; F51-W213 HydrophobicContact CZ-CG 3.96Å; F51-W213 HydrophobicContact CZ-CH2 4.25Å; F51-W213 AromaticContact CZ-CZ2 3.59Å; F51-W213 HydrophobicContact CZ-CZ2 3.59Å; F51-W213 AromaticContact CZ-NE1 3.23Å; F51-I215 HydrophobicContact CD1-CD1 3.67Å; F51-I215 HydrophobicContact CE1-CD1 3.81Å; F51-I230 HydrophobicContact CB-CD1 4Å; F51-I230 HydrophobicContact CB-CG2 3.85Å |
| 52 | W | 98.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | trans | -74.3 | 101.3 | 168.5 | -169.6 | 99.2 | 0 | 0 | 0 | 108.7 | P54 N68 F72 F107 I110 V111 A136 L137 T317 | W52-P54 HydrophobicContact CH2-CG 3.9Å; W52-P54 HydrophobicContact CZ2-CG 4.28Å; W52-P54 HydrophobicContact CZ3-CG 4.31Å; W52-N68 HydrophobicContact CH2-CB 4.44Å; W52-N68 HydrophobicContact CZ2-CB 3.87Å; W52-N68 VanDerWaalsContact CZ2-O 3.29Å; W52-N68 WeakPolarHBondContact CZ2-O 3.39Å; W52-F72 HydrophobicContact CD2-CB 4.42Å; W52-F72 AromaticContact CD2-CD2 3.51Å; W52-F72 HydrophobicContact CD2-CD2 3.51Å; W52-F72 HydrophobicContact CD2-CE2 4.27Å; W52-F72 HydrophobicContact CD2-CG 4.44Å; W52-F72 AromaticContact CE2-CD2 3.73Å; W52-F72 AromaticContact CE3-CD2 3.56Å; W52-F72 HydrophobicContact CE3-CD2 3.56Å; W52-F72 HydrophobicContact CE3-CE2 4Å; W52-F72 HydrophobicContact CG-CD2 4.06Å; W52-F72 HydrophobicContact CH2-CB 4.29Å; W52-F72 HydrophobicContact CH2-CD2 4.18Å; W52-F72 HydrophobicContact CZ2-CB 3.69Å; W52-F72 HydrophobicContact CZ2-CD2 4.07Å; W52-F72 HydrophobicContact CZ2-CG 4.29Å; W52-F72 AromaticContact CZ3-CD2 3.93Å; W52-F72 HydrophobicContact CZ3-CD2 3.93Å; W52-F72 HydrophobicContact CZ3-CE2 4.44Å; W52-F107 HydrophobicContact CH2-CB 4.27Å; W52-F107 HydrophobicContact CZ3-CB 4.36Å; W52-I110 HydrophobicContact CH2-CB 4.03Å; W52-I110 HydrophobicContact CH2-CD1 4.27Å; W52-I110 HydrophobicContact CH2-CG2 3.44Å; W52-I110 VanDerWaalsContact CH2-CG2 3.44Å; W52-I110 HydrophobicContact CZ2-CG2 3.95Å; W52-I110 HydrophobicContact CZ3-CG2 4.13Å; W52-V111 HydrophobicContact CE3-CG1 4.02Å; W52-V111 HydrophobicContact CZ3-CG1 3.53Å; W52-A136 HydrophobicContact CE3-CB 4.39Å; W52-L137 HydrophobicContact CB-CB 4.04Å; W52-L137 WeakPolarHBondContact CB-O 3.48Å; W52-L137 PolarHBondContact N-O 3.4Å; W52-T317 HydrophobicContact CD2-CG2 3.78Å; W52-T317 VanDerWaalsContact CE2-CG2 3.46Å; W52-T317 HydrophobicContact CE3-CG2 4.46Å; W52-T317 HydrophobicContact CG-CG2 3.99Å; W52-T317 HydrophobicContact CZ2-CG2 3.87Å; W52-T317 PolarHBondContact NE1-O 3.44Å | ||
| 53 | Q | 98.3 | Very high | 94.7 | Very high | 6 Ų | 6 | 43.4 Ų | 43.4 | 3% | 0.028 | 24% | 0.236 | C | C | . | . | trans | -154.4 | 126.1 | 167.3 | -166 | 176.9 | -98.4 | 0 | 0 | 109.4 | F51 N96 F107 T317 | F51-Q53 HydrophobicContact CD1-CB 3.61Å; F51-Q53 HydrophobicContact CE1-CB 3.57Å; F51-Q53 HydrophobicContact CE1-CG 4.16Å; F51-Q53 PolarHBondContact O-N 2.65Å; F51-Q53 VanDerWaalsContact O-N 3.16Å; Q53-N96 PolarHBondContact NE2-OD1 2.91Å; Q53-N96 PolarHBondContact OE1-ND2 3.17Å; Q53-N96 PolarHBondContact OE1-OD1 3.44Å; Q53-F107 HydrophobicContact CG-CE1 3.85Å; Q53-F107 HydrophobicContact CG-CE2 4.2Å; Q53-F107 HydrophobicContact CG-CZ 3.61Å; Q53-T317 PolarHBondContact N-OG1 3.03Å; Q53-T317 PolarHBondContact O-OG1 2.69Å | ||
| 54 | P | 97 | Very high | 94.6 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 3% | 0.032 | 24% | 0.237 | C | C | . | . | trans | -68.4 | 174.7 | 168.1 | -20.3 | 32.7 | 0 | 0 | 0 | 111.5 | W52 N68 F107 T317 | W52-P54 HydrophobicContact CH2-CG 3.9Å; W52-P54 HydrophobicContact CZ2-CG 4.28Å; W52-P54 HydrophobicContact CZ3-CG 4.31Å; P54-N68 HydrophobicContact CG-CB 4.03Å; P54-F107 HydrophobicContact CB-CD1 4.08Å; P54-F107 HydrophobicContact CG-CB 4.01Å; P54-F107 HydrophobicContact CG-CD1 3.99Å; P54-F107 HydrophobicContact CG-CG 4.26Å; P54-T317 HydrophobicContact CB-CG2 4.41Å; P54-T317 HydrophobicContact CG-CG2 3.69Å | ||
| 55 | Y | 94.8 | Very high | 94.5 | Very high | 57 Ų | 57 | 42.4 Ų | 42.4 | 22% | 0.224 | 23% | 0.228 | C | C | . | . | trans | -62.2 | 153.6 | 159.4 | -60.4 | -28.6 | 0 | 0 | 0 | 109.9 | Y57 V223 Y224 G313 F314 | Y55-Y57 PolarHBondContact O-N 2.93Å; Y55-Y57 VanDerWaalsContact O-N 3.12Å; Y55-V223 HydrophobicContact CD1-CG1 3.63Å; Y55-V223 HydrophobicContact CE1-CG1 3.65Å; Y55-V223 HydrophobicContact CG-CG1 4.41Å; Y55-Y224 HydrophobicContact CD1-CE2 4.08Å; Y55-Y224 HydrophobicContact CE1-CD2 4.2Å; Y55-Y224 AromaticContact CE1-CE2 3.6Å; Y55-Y224 HydrophobicContact CE1-CE2 3.6Å; Y55-G313 PolarHBondContact OH-N 3.47Å; Y55-F314 HydrophobicContact CD1-CD1 4.23Å; Y55-F314 AromaticContact CD2-CD1 3.87Å; Y55-F314 HydrophobicContact CD2-CD1 3.87Å; Y55-F314 AromaticContact CD2-CE1 3.72Å; Y55-F314 HydrophobicContact CD2-CE1 3.72Å; Y55-F314 AromaticContact CE1-CD1 3.97Å; Y55-F314 HydrophobicContact CE1-CD1 3.97Å; Y55-F314 AromaticContact CE2-CD1 3.61Å; Y55-F314 HydrophobicContact CE2-CD1 3.61Å; Y55-F314 AromaticContact CE2-CE1 3.41Å; Y55-F314 HydrophobicContact CE2-CE1 3.41Å; Y55-F314 VanDerWaalsContact CE2-CE1 3.41Å; Y55-F314 HydrophobicContact CG-CD1 4.19Å; Y55-F314 HydrophobicContact CG-CE1 4.46Å; Y55-F314 AromaticContact CZ-CD1 3.66Å; Y55-F314 AromaticContact CZ-CE1 3.9Å | ||
| 56 | L | 91.2 | Very high | 94.5 | Very high | 24 Ų | 24 | 46.8 Ų | 46.8 | 13% | 0.126 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -54.5 | -37.7 | -172.5 | -67.6 | -178.9 | 0 | 0 | 0 | 113.5 | L102 P105 S106 F107 W132 | L56-L102 HydrophobicContact CD1-CD1 4.13Å; L56-P105 HydrophobicContact CB-CB 4.44Å; L56-P105 HydrophobicContact CD2-CB 4.08Å; L56-P105 CarbonylContact O-C 3.51Å; L56-P105 WeakPolarHBondContact O-CA 3.47Å; L56-P105 VanDerWaalsContact O-CB 3.27Å; L56-P105 WeakPolarHBondContact O-CB 3.34Å; L56-S106 PolarHBondContact O-N 2.94Å; L56-F107 HydrophobicContact CD2-CE1 4.21Å; L56-F107 HydrophobicContact CD2-CZ 4.26Å; L56-W132 HydrophobicContact CD1-CH2 4.46Å; L56-W132 HydrophobicContact CD1-CZ3 4.3Å; L56-W132 HydrophobicContact CD2-CH2 4.49Å; L56-W132 HydrophobicContact CD2-CZ3 3.78Å |
| 57 | Y | 90.4 | Very high | 94.6 | Very high | 86 Ų | 86 | 47.6 Ų | 47.6 | 34% | 0.337 | 25% | 0.247 | S | C | . | . | trans | -128.9 | 140.1 | -175.1 | -44.4 | -57.3 | 0 | 0 | 0 | 110.7 | Y55 K59 L102 P103 | Y55-Y57 PolarHBondContact O-N 2.93Å; Y55-Y57 VanDerWaalsContact O-N 3.12Å; Y57-K59 VanDerWaalsContact C-N 3.29Å; Y57-L102 WeakPolarHBondContact OH-CB 3.23Å; Y57-P103 HydrophobicContact CE1-CB 4.1Å; Y57-P103 WeakPolarHBondContact OH-CD 3.43Å; Y57-P103 PolarHBondContact OH-O 3.12Å | ||
| 58 | D | 85.1 | Confident | 94.8 | Very high | 52 Ų | 52 | 47.8 Ų | 47.8 | 28% | 0.278 | 25% | 0.248 | S | C | . | . | trans | -79.9 | -11 | 177.8 | 62.2 | 18 | 0 | 0 | 0 | 113.5 | G60 N61 T65 | D58-G60 PolarHBondContact O-N 3.4Å; D58-G60 VanDerWaalsContact O-N 3.15Å; D58-G60 PolarHBondContact OD1-N 2.78Å; D58-N61 VanDerWaalsContact O-CB 3.23Å; D58-N61 WeakPolarHBondContact O-CB 3.4Å; D58-N61 PolarHBondContact O-N 2.96Å; D58-T65 VanDerWaalsContact CB-OG1 3.25Å; D58-T65 WeakPolarHBondContact CB-OG1 3.28Å; D58-T65 PolarHBondContact OD2-OG1 3.45Å; D58-T65 VanDerWaalsContact OD2-OG1 3.08Å | ||
| 59 | K | 88 | Confident | 94.8 | Very high | 201 Ų | 201 | 50.6 Ų | 50.6 | 87% | 0.874 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 34.2 | -177.7 | -55.5 | 179.6 | -179.1 | 179.3 | 0 | 112.5 | Y57 | Y57-K59 VanDerWaalsContact C-N 3.29Š|
| 60 | G | 87.8 | Confident | 94.9 | Very high | 60 Ų | 60 | 51.9 Ų | 51.9 | 62% | 0.619 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.3 | -1.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | D58 I62 | D58-G60 PolarHBondContact O-N 3.4Å; D58-G60 VanDerWaalsContact O-N 3.15Å; D58-G60 PolarHBondContact OD1-N 2.78Å; G60-I62 VanDerWaalsContact C-N 3.28Å; G60-I62 PolarHBondContact O-N 3.3Å |
| 61 | N | 90.1 | Very high | 95 | Very high | 41 Ų | 41 | 51.7 Ų | 51.7 | 22% | 0.219 | 25% | 0.254 | C | S | . | . | trans | -84.2 | 68.6 | 175.1 | -166.7 | -11 | 0 | 0 | 0 | 111.7 | D58 Q63 E64 T65 | D58-N61 VanDerWaalsContact O-CB 3.23Å; D58-N61 WeakPolarHBondContact O-CB 3.4Å; D58-N61 PolarHBondContact O-N 2.96Å; N61-Q63 PolarHBondContact O-N 3.32Å; N61-E64 WeakPolarHBondContact ND2-CG 3.15Å; N61-E64 PolarHBondContact ND2-OE1 3.49Å; N61-E64 PolarHBondContact O-N 3.45Å; N61-E64 VanDerWaalsContact O-N 3.16Å; N61-E64 PolarHBondContact OD1-N 2.89Å; N61-T65 PolarHBondContact O-N 2.89Å | ||
| 62 | I | 94.4 | Very high | 95 | Very high | 128 Ų | 128 | 50.9 Ų | 50.9 | 66% | 0.656 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -59.5 | -22.4 | -178.9 | 63.6 | 174.3 | 0 | 0 | 0 | 113.2 | G60 T65 K66 | G60-I62 VanDerWaalsContact C-N 3.28Å; G60-I62 PolarHBondContact O-N 3.3Å; I62-T65 WeakPolarHBondContact O-CB 3.47Å; I62-T65 PolarHBondContact O-N 3.36Å; I62-K66 PolarHBondContact O-N 2.93Å |
| 63 | Q | 96.1 | Very high | 95 | Very high | 74 Ų | 74 | 53.6 Ų | 53.6 | 35% | 0.346 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -69.7 | -39.9 | 179.9 | -175 | 59.2 | 66.5 | 0 | 0 | 111.5 | N61 K66 W67 | N61-Q63 PolarHBondContact O-N 3.32Å; Q63-K66 WeakPolarHBondContact O-CB 3.47Å; Q63-K66 PolarHBondContact O-N 3.32Å; Q63-W67 HydrophobicContact CG-CD2 4.2Å; Q63-W67 HydrophobicContact CG-CE3 4.42Å; Q63-W67 HydrophobicContact CG-CH2 3.64Å; Q63-W67 HydrophobicContact CG-CZ2 3.36Å; Q63-W67 HydrophobicContact CG-CZ3 4.17Å; Q63-W67 VanDerWaalsContact NE2-CE2 3.26Å; Q63-W67 PolarHBondContact O-N 2.95Å |
| 64 | E | 96.7 | Very high | 95.1 | Very high | 24 Ų | 24 | 54.4 Ų | 54.4 | 11% | 0.112 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.3 | -38.7 | 173.2 | -74 | 179.7 | -163.6 | 0 | 0 | 111.2 | N61 K66 W67 N68 V289 I318 | N61-E64 WeakPolarHBondContact ND2-CG 3.15Å; N61-E64 PolarHBondContact ND2-OE1 3.49Å; N61-E64 PolarHBondContact O-N 3.45Å; N61-E64 VanDerWaalsContact O-N 3.16Å; N61-E64 PolarHBondContact OD1-N 2.89Å; E64-K66 VanDerWaalsContact C-N 3.29Å; E64-K66 PolarHBondContact O-N 3.25Å; E64-W67 HydrophobicContact CG-CE3 3.96Å; E64-W67 HydrophobicContact CG-CZ3 3.99Å; E64-W67 PolarHBondContact O-N 3.39Å; E64-N68 WeakPolarHBondContact O-CB 3.42Å; E64-N68 PolarHBondContact O-N 3.03Å; E64-N68 PolarHBondContact O-ND2 2.85Å; E64-V289 HydrophobicContact CG-CG2 4.36Å; E64-V289 PolarHBondContact OE1-N 3.36Å; E64-I318 HydrophobicContact CB-CD1 3.91Å; E64-I318 HydrophobicContact CG-CD1 3.94Å |
| 65 | T | 96.9 | Very high | 95.1 | Very high | 27 Ų | 27 | 54.1 Ų | 54.1 | 17% | 0.166 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.5 | -42.6 | 172.6 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | D58 N61 I62 N68 K69 I110 | D58-T65 VanDerWaalsContact CB-OG1 3.25Å; D58-T65 WeakPolarHBondContact CB-OG1 3.28Å; D58-T65 PolarHBondContact OD2-OG1 3.45Å; D58-T65 VanDerWaalsContact OD2-OG1 3.08Å; N61-T65 PolarHBondContact O-N 2.89Å; I62-T65 WeakPolarHBondContact O-CB 3.47Å; I62-T65 PolarHBondContact O-N 3.36Å; T65-N68 WeakPolarHBondContact O-CB 3.29Å; T65-N68 PolarHBondContact O-N 2.89Å; T65-K69 PolarHBondContact O-N 2.87Å; T65-I110 HydrophobicContact CG2-CD1 4.18Å |
| 66 | K | 98.1 | Very high | 95.3 | Very high | 112 Ų | 112 | 54 Ų | 54 | 49% | 0.487 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.7 | -48.9 | 174 | 176.4 | 178.9 | 167 | -177.9 | 0 | 112.1 | I62 Q63 E64 N68 K69 E70 | I62-K66 PolarHBondContact O-N 2.93Å; Q63-K66 WeakPolarHBondContact O-CB 3.47Å; Q63-K66 PolarHBondContact O-N 3.32Å; E64-K66 VanDerWaalsContact C-N 3.29Å; E64-K66 PolarHBondContact O-N 3.25Å; K66-N68 VanDerWaalsContact C-N 3.29Å; K66-N68 PolarHBondContact O-N 3.01Å; K66-K69 WeakPolarHBondContact O-CB 3.44Å; K66-K69 PolarHBondContact O-N 3.3Å; K66-K69 VanDerWaalsContact O-N 3.14Å; K66-E70 WeakPolarHBondContact CE-OE1 3.34Å; K66-E70 IonicContact NZ-OE1 2.68Å; K66-E70 WeakPolarHBondContact O-CG 3.43Å; K66-E70 PolarHBondContact O-N 3.38Å |
| 67 | W | 98.7 | Very high | 95.6 | Very high | 20 Ų | 20 | 58.7 Ų | 58.7 | 8% | 0.076 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.5 | -34.1 | 179.5 | -65.5 | -32.3 | 0 | 0 | 0 | 113.1 | Q63 E64 T71 V289 L291 I318 C322 E325 | Q63-W67 HydrophobicContact CG-CD2 4.2Å; Q63-W67 HydrophobicContact CG-CE3 4.42Å; Q63-W67 HydrophobicContact CG-CH2 3.64Å; Q63-W67 HydrophobicContact CG-CZ2 3.36Å; Q63-W67 HydrophobicContact CG-CZ3 4.17Å; Q63-W67 VanDerWaalsContact NE2-CE2 3.26Å; Q63-W67 PolarHBondContact O-N 2.95Å; E64-W67 HydrophobicContact CG-CE3 3.96Å; E64-W67 HydrophobicContact CG-CZ3 3.99Å; E64-W67 PolarHBondContact O-N 3.39Å; W67-T71 PolarHBondContact O-N 2.84Å; W67-T71 PolarHBondContact O-OG1 3.32Å; W67-V289 HydrophobicContact CZ3-CB 4.28Å; W67-V289 HydrophobicContact CZ3-CG1 4.39Å; W67-L291 HydrophobicContact CH2-CB 4.02Å; W67-L291 HydrophobicContact CH2-CD2 3.81Å; W67-L291 HydrophobicContact CH2-CG 4.31Å; W67-L291 HydrophobicContact CZ2-CD2 3.74Å; W67-L291 HydrophobicContact CZ2-CG 4.43Å; W67-L291 HydrophobicContact CZ3-CD2 4.29Å; W67-I318 HydrophobicContact CB-CD1 4.01Å; W67-I318 HydrophobicContact CB-CG1 3.53Å; W67-I318 HydrophobicContact CE3-CD1 3.99Å; W67-C322 VanDerWaalsContact CE3-SG 3.52Å; W67-E325 HydrophobicContact CZ2-CB 4.3Å; W67-E325 HydrophobicContact CZ2-CG 3.89Å |
| 68 | N | 98.6 | Very high | 95.9 | Very high | 8 Ų | 8 | 57.5 Ų | 57.5 | 4% | 0.043 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60 | -51.9 | 171.1 | -74.1 | -41.8 | 0 | 0 | 0 | 109.5 | W52 P54 E64 T65 K66 E70 T71 F72 T317 I318 | W52-N68 HydrophobicContact CH2-CB 4.44Å; W52-N68 HydrophobicContact CZ2-CB 3.87Å; W52-N68 VanDerWaalsContact CZ2-O 3.29Å; W52-N68 WeakPolarHBondContact CZ2-O 3.39Å; P54-N68 HydrophobicContact CG-CB 4.03Å; E64-N68 WeakPolarHBondContact O-CB 3.42Å; E64-N68 PolarHBondContact O-N 3.03Å; E64-N68 PolarHBondContact O-ND2 2.85Å; T65-N68 WeakPolarHBondContact O-CB 3.29Å; T65-N68 PolarHBondContact O-N 2.89Å; K66-N68 VanDerWaalsContact C-N 3.29Å; K66-N68 PolarHBondContact O-N 3.01Å; N68-E70 PolarHBondContact O-N 3.07Å; N68-T71 WeakPolarHBondContact O-CB 3.48Å; N68-T71 PolarHBondContact O-N 2.6Å; N68-T71 VanDerWaalsContact O-N 3.09Å; N68-F72 PolarHBondContact O-N 3.18Å; N68-T317 WeakPolarHBondContact OD1-CG2 3.32Å; N68-I318 VanDerWaalsContact OD1-CB 3.26Å; N68-I318 WeakPolarHBondContact OD1-CB 3.44Å; N68-I318 WeakPolarHBondContact OD1-CG1 3.44Å |
| 69 | K | 98.6 | Very high | 96.5 | Very high | 91 Ų | 91 | 57.4 Ų | 57.4 | 40% | 0.396 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -57.2 | -47.4 | 178.1 | -168.4 | -169.5 | -176 | -48.4 | 0 | 112.4 | T65 K66 T71 F72 D73 I110 | T65-K69 PolarHBondContact O-N 2.87Å; K66-K69 WeakPolarHBondContact O-CB 3.44Å; K66-K69 PolarHBondContact O-N 3.3Å; K66-K69 VanDerWaalsContact O-N 3.14Å; K69-T71 PolarHBondContact O-N 3.26Å; K69-F72 WeakPolarHBondContact O-CB 3.43Å; K69-F72 PolarHBondContact O-N 3.44Å; K69-F72 VanDerWaalsContact O-N 3.08Å; K69-D73 IonicContact NZ-OD1 3.17Å; K69-D73 PolarHBondContact NZ-OD1 3.42Å; K69-D73 IonicContact NZ-OD2 3.38Å; K69-D73 PolarHBondContact NZ-OD2 2.77Å; K69-D73 VanDerWaalsContact O-CG 3.3Å; K69-D73 PolarHBondContact O-N 2.88Å; K69-I110 HydrophobicContact CB-CD1 3.83Å; K69-I110 HydrophobicContact CB-CG1 4.14Å; K69-I110 HydrophobicContact CB-CG2 4.33Å; K69-I110 HydrophobicContact CG-CD1 4.36Å; K69-I110 HydrophobicContact CG-CG1 4.1Å; K69-I110 HydrophobicContact CG-CG2 4.12Å |
| 70 | E | 98.7 | Very high | 96.8 | Very high | 50 Ų | 50 | 53.5 Ų | 53.5 | 23% | 0.234 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.7 | -36.2 | 177.5 | -73.8 | 169.8 | 173.8 | 0 | 0 | 112 | K66 N68 Y74 G321 Q324 | K66-E70 WeakPolarHBondContact CE-OE1 3.34Å; K66-E70 IonicContact NZ-OE1 2.68Å; K66-E70 WeakPolarHBondContact O-CG 3.43Å; K66-E70 PolarHBondContact O-N 3.38Å; N68-E70 PolarHBondContact O-N 3.07Å; E70-Y74 VanDerWaalsContact O-CB 3.26Å; E70-Y74 WeakPolarHBondContact O-CB 3.37Å; E70-Y74 PolarHBondContact O-N 2.79Å; E70-G321 VanDerWaalsContact OE2-CA 3.26Å; E70-G321 WeakPolarHBondContact OE2-CA 3.34Å; E70-Q324 PolarHBondContact OE2-OE1 3.07Å |
| 71 | T | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -70.7 | -42.6 | 175 | -54.2 | 0 | 0 | 0 | 0 | 112.2 | W67 N68 K69 Y74 L75 T317 I318 H319 R320 G321 | W67-T71 PolarHBondContact O-N 2.84Å; W67-T71 PolarHBondContact O-OG1 3.32Å; N68-T71 WeakPolarHBondContact O-CB 3.48Å; N68-T71 PolarHBondContact O-N 2.6Å; N68-T71 VanDerWaalsContact O-N 3.09Å; K69-T71 PolarHBondContact O-N 3.26Å; T71-Y74 PolarHBondContact O-N 2.86Å; T71-L75 HydrophobicContact CG2-CD1 3.85Å; T71-L75 HydrophobicContact CG2-CG 4.41Å; T71-L75 WeakPolarHBondContact O-CB 3.48Å; T71-L75 WeakPolarHBondContact O-CD1 3.19Å; T71-L75 VanDerWaalsContact O-CG 3.25Å; T71-L75 WeakPolarHBondContact O-CG 3.31Å; T71-L75 PolarHBondContact O-N 2.89Å; T71-T317 WeakPolarHBondContact CB-O 3.2Å; T71-T317 WeakPolarHBondContact CG2-O 3.46Å; T71-I318 PolarHBondContact OG1-O 3.42Å; T71-H319 VanDerWaalsContact CG2-CE1 3.5Å; T71-H319 WeakPolarHBondContact CG2-CE1 3.33Å; T71-H319 WeakPolarHBondContact CG2-ND1 3.45Å; T71-R320 HydrophobicContact CG2-CB 3.98Å; T71-R320 PolarHBondContact OG1-N 2.78Å; T71-R320 VanDerWaalsContact OG1-N 3.13Å; T71-G321 PolarHBondContact OG1-N 3.47Å |
| 72 | F | 98.9 | Very high | 97.5 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.009 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.3 | -52.4 | 175.3 | -168.7 | -93.7 | 0 | 0 | 0 | 111.4 | W52 N68 K69 Y74 L75 L76 I110 L112 A136 L137 | W52-F72 HydrophobicContact CD2-CB 4.42Å; W52-F72 AromaticContact CD2-CD2 3.51Å; W52-F72 HydrophobicContact CD2-CD2 3.51Å; W52-F72 HydrophobicContact CD2-CE2 4.27Å; W52-F72 HydrophobicContact CD2-CG 4.44Å; W52-F72 AromaticContact CE2-CD2 3.73Å; W52-F72 AromaticContact CE3-CD2 3.56Å; W52-F72 HydrophobicContact CE3-CD2 3.56Å; W52-F72 HydrophobicContact CE3-CE2 4Å; W52-F72 HydrophobicContact CG-CD2 4.06Å; W52-F72 HydrophobicContact CH2-CB 4.29Å; W52-F72 HydrophobicContact CH2-CD2 4.18Å; W52-F72 HydrophobicContact CZ2-CB 3.69Å; W52-F72 HydrophobicContact CZ2-CD2 4.07Å; W52-F72 HydrophobicContact CZ2-CG 4.29Å; W52-F72 AromaticContact CZ3-CD2 3.93Å; W52-F72 HydrophobicContact CZ3-CD2 3.93Å; W52-F72 HydrophobicContact CZ3-CE2 4.44Å; N68-F72 PolarHBondContact O-N 3.18Å; K69-F72 WeakPolarHBondContact O-CB 3.43Å; K69-F72 PolarHBondContact O-N 3.44Å; K69-F72 VanDerWaalsContact O-N 3.08Å; F72-Y74 VanDerWaalsContact C-N 3.31Å; F72-Y74 PolarHBondContact O-N 3.03Å; F72-L75 PolarHBondContact O-N 2.99Å; F72-L76 HydrophobicContact CE1-CD1 4.41Å; F72-L76 HydrophobicContact CE1-CD2 4.22Å; F72-L76 VanDerWaalsContact O-CB 3.28Å; F72-L76 WeakPolarHBondContact O-CB 3.27Å; F72-L76 PolarHBondContact O-N 2.85Å; F72-I110 HydrophobicContact CB-CG2 3.63Å; F72-I110 HydrophobicContact CD1-CG2 3.96Å; F72-I110 WeakPolarHBondContact CD1-O 3.5Å; F72-I110 HydrophobicContact CD2-CG2 4.28Å; F72-I110 WeakPolarHBondContact CE1-O 3.49Å; F72-I110 HydrophobicContact CG-CG2 3.69Å; F72-L112 HydrophobicContact CE1-CD2 4.33Å; F72-L112 HydrophobicContact CE1-CG 4.33Å; F72-L112 HydrophobicContact CZ-CG 4.06Å; F72-A136 HydrophobicContact CE2-CB 4.18Å; F72-L137 HydrophobicContact CD2-CD1 3.69Å; F72-L137 HydrophobicContact CD2-CG 4.38Å; F72-L137 HydrophobicContact CE2-CD1 3.7Å; F72-L137 HydrophobicContact CE2-CG 3.97Å; F72-L137 HydrophobicContact CG-CD1 4.14Å; F72-L137 HydrophobicContact CZ-CD1 4.13Å; F72-L137 HydrophobicContact CZ-CG 4.41Å |
| 73 | D | 98.7 | Very high | 97.6 | Very high | 57 Ų | 57 | 52 Ų | 52 | 31% | 0.305 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.1 | -43.3 | -179.7 | -64.9 | -16.8 | 0 | 0 | 0 | 111 | K69 L76 N77 | K69-D73 IonicContact NZ-OD1 3.17Å; K69-D73 PolarHBondContact NZ-OD1 3.42Å; K69-D73 IonicContact NZ-OD2 3.38Å; K69-D73 PolarHBondContact NZ-OD2 2.77Å; K69-D73 VanDerWaalsContact O-CG 3.3Å; K69-D73 PolarHBondContact O-N 2.88Å; D73-L76 PolarHBondContact O-N 2.85Å; D73-N77 WeakPolarHBondContact O-CB 3.34Å; D73-N77 PolarHBondContact O-N 3.17Å; D73-N77 PolarHBondContact O-ND2 3.22Å; D73-N77 VanDerWaalsContact O-ND2 3.12Å |
| 74 | Y | 98.6 | Very high | 97.6 | Very high | 23 Ų | 23 | 48.8 Ų | 48.8 | 9% | 0.09 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.3 | -51.3 | 176.7 | 168.5 | -99.6 | 0 | 0 | 0 | 112.1 | E70 T71 F72 N77 W78 M87 R320 | E70-Y74 VanDerWaalsContact O-CB 3.26Å; E70-Y74 WeakPolarHBondContact O-CB 3.37Å; E70-Y74 PolarHBondContact O-N 2.79Å; T71-Y74 PolarHBondContact O-N 2.86Å; F72-Y74 VanDerWaalsContact C-N 3.31Å; F72-Y74 PolarHBondContact O-N 3.03Å; Y74-N77 PolarHBondContact O-N 3.31Å; Y74-W78 AromaticContact CD2-NE1 3.98Å; Y74-W78 AromaticContact CE1-CD1 3.97Å; Y74-W78 AromaticContact CE2-CD1 3.79Å; Y74-W78 AromaticContact CE2-NE1 3.24Å; Y74-W78 AromaticContact CZ-CD1 3.68Å; Y74-W78 AromaticContact CZ-NE1 3.25Å; Y74-W78 VanDerWaalsContact CZ-NE1 3.25Å; Y74-W78 VanDerWaalsContact O-CD1 3.28Å; Y74-W78 PolarHBondContact O-N 2.71Å; Y74-W78 PolarHBondContact OH-NE1 2.96Å; Y74-M87 HydrophobicContact CE1-CE 4.47Å; Y74-R320 HydrophobicContact CD1-CB 4.11Å; Y74-R320 HydrophobicContact CD1-CG 3.75Å; Y74-R320 HydrophobicContact CD2-CG 4.02Å; Y74-R320 VanDerWaalsContact CD2-NE 3.34Å; Y74-R320 HydrophobicContact CE1-CG 4.36Å; Y74-R320 HydrophobicContact CG-CB 4.35Å; Y74-R320 HydrophobicContact CG-CG 3.57Å |
| 75 | L | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.9 | -38.9 | -178.2 | -68 | 167.4 | 0 | 0 | 0 | 111.4 | T71 F72 N77 W78 I89 L137 V139 | T71-L75 HydrophobicContact CG2-CD1 3.85Å; T71-L75 HydrophobicContact CG2-CG 4.41Å; T71-L75 WeakPolarHBondContact O-CB 3.48Å; T71-L75 WeakPolarHBondContact O-CD1 3.19Å; T71-L75 VanDerWaalsContact O-CG 3.25Å; T71-L75 WeakPolarHBondContact O-CG 3.31Å; T71-L75 PolarHBondContact O-N 2.89Å; F72-L75 PolarHBondContact O-N 2.99Å; L75-N77 VanDerWaalsContact C-N 3.3Å; L75-N77 PolarHBondContact O-N 2.64Å; L75-W78 PolarHBondContact O-N 2.84Å; L75-W78 VanDerWaalsContact O-N 3.1Å; L75-I89 HydrophobicContact CD2-CG2 4.06Å; L75-I89 WeakPolarHBondContact O-CD1 3.3Å; L75-L137 HydrophobicContact CB-CD1 3.61Å; L75-L137 HydrophobicContact CD1-CD1 4.44Å; L75-V139 HydrophobicContact CD1-CG2 3.41Å; L75-V139 VanDerWaalsContact CD1-CG2 3.41Å; L75-V139 HydrophobicContact CD2-CG2 4.09Å; L75-V139 HydrophobicContact CG-CG2 4.35Å |
| 76 | L | 98.2 | Very high | 97.5 | Very high | 53 Ų | 53 | 58.1 Ų | 58.1 | 28% | 0.277 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.1 | -42.1 | 176 | -169 | 74.2 | 0 | 0 | 0 | 111.3 | F72 D73 W78 L79 L91 L112 L137 | F72-L76 HydrophobicContact CE1-CD1 4.41Å; F72-L76 HydrophobicContact CE1-CD2 4.22Å; F72-L76 VanDerWaalsContact O-CB 3.28Å; F72-L76 WeakPolarHBondContact O-CB 3.27Å; F72-L76 PolarHBondContact O-N 2.85Å; D73-L76 PolarHBondContact O-N 2.85Å; L76-W78 PolarHBondContact O-N 2.99Å; L76-L79 HydrophobicContact CD1-CD1 3.71Å; L76-L79 WeakPolarHBondContact O-CB 3.45Å; L76-L79 PolarHBondContact O-N 3.17Å; L76-L79 VanDerWaalsContact O-N 3.13Å; L76-L91 HydrophobicContact CD1-CD2 4.24Å; L76-L112 HydrophobicContact CD1-CD1 4.07Å; L76-L137 HydrophobicContact CB-CD1 4.29Å |
| 77 | N | 97.7 | Very high | 97.5 | Very high | 123 Ų | 123 | 52.8 Ų | 52.8 | 66% | 0.658 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -64 | -22.8 | 177.6 | -73.2 | -27.5 | 0 | 0 | 0 | 113.6 | D73 Y74 L75 | D73-N77 WeakPolarHBondContact O-CB 3.34Å; D73-N77 PolarHBondContact O-N 3.17Å; D73-N77 PolarHBondContact O-ND2 3.22Å; D73-N77 VanDerWaalsContact O-ND2 3.12Å; Y74-N77 PolarHBondContact O-N 3.31Å; L75-N77 VanDerWaalsContact C-N 3.3Å; L75-N77 PolarHBondContact O-N 2.64Å |
| 78 | W | 97.6 | Very high | 97.4 | Very high | 62 Ų | 62 | 52 Ų | 52 | 24% | 0.235 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -83.3 | -14.9 | 176.4 | -83 | 99 | 0 | 0 | 0 | 113.6 | Y74 L75 L76 S80 S81 E83 A84 M87 I89 W147 | Y74-W78 AromaticContact CD2-NE1 3.98Å; Y74-W78 AromaticContact CE1-CD1 3.97Å; Y74-W78 AromaticContact CE2-CD1 3.79Å; Y74-W78 AromaticContact CE2-NE1 3.24Å; Y74-W78 AromaticContact CZ-CD1 3.68Å; Y74-W78 AromaticContact CZ-NE1 3.25Å; Y74-W78 VanDerWaalsContact CZ-NE1 3.25Å; Y74-W78 VanDerWaalsContact O-CD1 3.28Å; Y74-W78 PolarHBondContact O-N 2.71Å; Y74-W78 PolarHBondContact OH-NE1 2.96Å; L75-W78 PolarHBondContact O-N 2.84Å; L75-W78 VanDerWaalsContact O-N 3.1Å; L76-W78 PolarHBondContact O-N 2.99Å; W78-S80 PolarHBondContact O-N 3.11Å; W78-S80 VanDerWaalsContact O-N 3.16Å; W78-S81 WeakPolarHBondContact O-CB 3.16Å; W78-S81 PolarHBondContact O-N 3.14Å; W78-E83 HydrophobicContact CE3-CB 3.97Å; W78-E83 HydrophobicContact CZ3-CB 3.7Å; W78-E83 HydrophobicContact CZ3-CG 4.05Å; W78-A84 WeakPolarHBondContact O-CB 3.48Å; W78-M87 HydrophobicContact CB-CE 3.92Å; W78-M87 HydrophobicContact CB-SD 3.87Å; W78-M87 HydrophobicContact CD2-CE 3.93Å; W78-M87 HydrophobicContact CD2-SD 3.61Å; W78-M87 HydrophobicContact CE3-SD 3.62Å; W78-M87 HydrophobicContact CG-CE 3.62Å; W78-M87 HydrophobicContact CG-SD 3.73Å; W78-M87 HydrophobicContact CZ3-SD 4.38Å; W78-I89 HydrophobicContact CB-CD1 3.53Å; W78-W147 HydrophobicContact CH2-CH2 4.36Å; W78-W147 HydrophobicContact CH2-CZ2 4.02Å; W78-W147 HydrophobicContact CZ2-CH2 4.13Å; W78-W147 HydrophobicContact CZ2-CZ2 4.26Å; W78-W147 HydrophobicContact CZ3-CZ2 4.25Å |
| 79 | L | 96.9 | Very high | 97.4 | Very high | 50 Ų | 50 | 52 Ų | 52 | 26% | 0.262 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -28.1 | -174.6 | -71.2 | -179.2 | 0 | 0 | 0 | 114.4 | L76 S81 I89 L91 L137 | L76-L79 HydrophobicContact CD1-CD1 3.71Å; L76-L79 WeakPolarHBondContact O-CB 3.45Å; L76-L79 PolarHBondContact O-N 3.17Å; L76-L79 VanDerWaalsContact O-N 3.13Å; L79-S81 VanDerWaalsContact C-N 3.29Å; L79-I89 HydrophobicContact CD2-CD1 4.27Å; L79-I89 HydrophobicContact CD2-CG1 4.22Å; L79-L91 HydrophobicContact CD1-CD1 3.94Å; L79-L91 HydrophobicContact CD1-CD2 3.78Å; L79-L91 HydrophobicContact CD1-CG 3.58Å; L79-L137 HydrophobicContact CD1-CD2 3.82Å; L79-L137 HydrophobicContact CD2-CD2 3.87Å; L79-L137 HydrophobicContact CG-CD2 4.03Å |
| 80 | S | 94.8 | Very high | 97.3 | Very high | 118 Ų | 118 | 50.3 Ų | 50.3 | 83% | 0.825 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -10.3 | 176.6 | 58.7 | 0 | 0 | 0 | 0 | 113.2 | W78 | W78-S80 PolarHBondContact O-N 3.11Å; W78-S80 VanDerWaalsContact O-N 3.16Å |
| 81 | S | 97 | Very high | 97.3 | Very high | 32 Ų | 32 | 51.8 Ų | 51.8 | 22% | 0.224 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -84.4 | 142.8 | -179.8 | -179.4 | 0 | 0 | 0 | 0 | 111.3 | W78 L79 E83 A84 | W78-S81 WeakPolarHBondContact O-CB 3.16Å; W78-S81 PolarHBondContact O-N 3.14Å; L79-S81 VanDerWaalsContact C-N 3.29Å; S81-E83 PolarHBondContact O-N 3.09Å; S81-E83 VanDerWaalsContact O-N 3.09Å; S81-E83 PolarHBondContact OG-N 3.23Å; S81-A84 VanDerWaalsContact O-CB 3.27Å; S81-A84 WeakPolarHBondContact O-CB 3.49Å; S81-A84 PolarHBondContact O-N 3.12Å |
| 82 | P | 94.5 | Very high | 97.3 | Very high | 112 Ų | 112 | 52.7 Ų | 52.7 | 73% | 0.727 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -17.6 | 170.3 | 27 | -35.6 | 0 | 0 | 0 | 112.9 | A84 | P82-A84 VanDerWaalsContact C-N 3.27Å; P82-A84 PolarHBondContact O-N 2.96Å |
| 83 | E | 96.2 | Very high | 97.3 | Very high | 54 Ų | 54 | 54.1 Ų | 54.1 | 25% | 0.252 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -71.8 | -18.3 | 175 | -66.1 | -65 | 131.5 | 0 | 0 | 112.9 | W78 S81 V85 K86 M87 W147 | W78-E83 HydrophobicContact CE3-CB 3.97Å; W78-E83 HydrophobicContact CZ3-CB 3.7Å; W78-E83 HydrophobicContact CZ3-CG 4.05Å; S81-E83 PolarHBondContact O-N 3.09Å; S81-E83 VanDerWaalsContact O-N 3.09Å; S81-E83 PolarHBondContact OG-N 3.23Å; E83-V85 PolarHBondContact O-N 3.46Å; E83-K86 CarbonylContact O-C 3.02Å; E83-K86 WeakPolarHBondContact O-CA 3.36Å; E83-K86 PolarHBondContact O-N 2.83Å; E83-K86 IonicContact OE1-NZ 3.92Å; E83-K86 PolarHBondContact OE1-NZ 3.27Å; E83-K86 IonicContact OE2-NZ 2.65Å; E83-M87 HydrophobicContact CB-SD 4.42Å; E83-M87 WeakPolarHBondContact O-CG 3.33Å; E83-M87 PolarHBondContact O-N 3.17Å; E83-W147 PolarHBondContact OE2-NE1 3.39Å |
| 84 | A | 96.9 | Very high | 97.3 | Very high | 7 Ų | 7 | 51.4 Ų | 51.4 | 6% | 0.058 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -53.1 | -41 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | W78 S81 P82 M87 G88 I89 | W78-A84 WeakPolarHBondContact O-CB 3.48Å; S81-A84 VanDerWaalsContact O-CB 3.27Å; S81-A84 WeakPolarHBondContact O-CB 3.49Å; S81-A84 PolarHBondContact O-N 3.12Å; P82-A84 VanDerWaalsContact C-N 3.27Å; P82-A84 PolarHBondContact O-N 2.96Å; A84-M87 PolarHBondContact O-N 2.93Å; A84-G88 PolarHBondContact O-N 2.94Å; A84-I89 HydrophobicContact CB-CD1 4.25Å; A84-I89 HydrophobicContact CB-CG1 3.84Å; A84-I89 WeakPolarHBondContact O-CG1 3.43Å; A84-I89 PolarHBondContact O-N 3.13Å |
| 85 | V | 94.5 | Very high | 97.3 | Very high | 123 Ų | 123 | 51.2 Ų | 51.2 | 75% | 0.745 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -64 | -43.2 | 177.3 | -179.8 | 0 | 0 | 0 | 0 | 111.1 | E83 M87 G88 | E83-V85 PolarHBondContact O-N 3.46Å; V85-M87 VanDerWaalsContact C-N 3.3Å; V85-M87 PolarHBondContact O-N 3.49Å; V85-G88 PolarHBondContact O-N 2.93Å; V85-G88 VanDerWaalsContact O-N 3.13Å |
| 86 | K | 96.1 | Very high | 97.3 | Very high | 123 Ų | 123 | 51.2 Ų | 51.2 | 54% | 0.535 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -72.8 | -24.4 | 178.2 | -61.6 | -179.1 | -165.9 | 157.3 | 0 | 112.8 | E83 G88 T143 | E83-K86 CarbonylContact O-C 3.02Å; E83-K86 WeakPolarHBondContact O-CA 3.36Å; E83-K86 PolarHBondContact O-N 2.83Å; E83-K86 IonicContact OE1-NZ 3.92Å; E83-K86 PolarHBondContact OE1-NZ 3.27Å; E83-K86 IonicContact OE2-NZ 2.65Å; K86-G88 VanDerWaalsContact C-N 3.27Å; K86-T143 VanDerWaalsContact O-CG2 3.3Å; K86-T143 WeakPolarHBondContact O-CG2 3.3Å |
| 87 | M | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -76.8 | -17.2 | 171.3 | -68.6 | 168.9 | 75.1 | 0 | 0 | 111.7 | Y74 W78 E83 A84 V85 I89 Y144 W147 | Y74-M87 HydrophobicContact CE1-CE 4.47Å; W78-M87 HydrophobicContact CB-CE 3.92Å; W78-M87 HydrophobicContact CB-SD 3.87Å; W78-M87 HydrophobicContact CD2-CE 3.93Å; W78-M87 HydrophobicContact CD2-SD 3.61Å; W78-M87 HydrophobicContact CE3-SD 3.62Å; W78-M87 HydrophobicContact CG-CE 3.62Å; W78-M87 HydrophobicContact CG-SD 3.73Å; W78-M87 HydrophobicContact CZ3-SD 4.38Å; E83-M87 HydrophobicContact CB-SD 4.42Å; E83-M87 WeakPolarHBondContact O-CG 3.33Å; E83-M87 PolarHBondContact O-N 3.17Å; A84-M87 PolarHBondContact O-N 2.93Å; V85-M87 VanDerWaalsContact C-N 3.3Å; V85-M87 PolarHBondContact O-N 3.49Å; M87-I89 HydrophobicContact CB-CD1 4.45Å; M87-I89 HydrophobicContact CB-CG1 4.05Å; M87-I89 HydrophobicContact CB-CG2 3.99Å; M87-I89 HydrophobicContact CE-CD1 3.95Å; M87-I89 HydrophobicContact SD-CD1 4.11Å; M87-Y144 HydrophobicContact CB-CD2 4.03Å; M87-Y144 HydrophobicContact CB-CE2 4.42Å; M87-Y144 HydrophobicContact CE-CD2 4.44Å; M87-Y144 HydrophobicContact CE-CE2 3.7Å; M87-Y144 HydrophobicContact CG-CD2 4.4Å; M87-Y144 HydrophobicContact CG-CE2 4.43Å; M87-Y144 WeakPolarHBondContact O-CA 3.34Å; M87-Y144 VanDerWaalsContact O-CB 3.31Å; M87-Y144 WeakPolarHBondContact O-CB 3.47Å; M87-Y144 PolarHBondContact O-N 3.45Å; M87-W147 HydrophobicContact CE-CH2 4.03Å; M87-W147 HydrophobicContact CE-CZ2 4.42Å; M87-W147 HydrophobicContact CE-CZ3 4.08Å; M87-W147 HydrophobicContact CG-CD2 3.45Å; M87-W147 VanDerWaalsContact CG-CD2 3.45Å; M87-W147 VanDerWaalsContact CG-CE2 3.45Å; M87-W147 HydrophobicContact CG-CE3 3.87Å; M87-W147 HydrophobicContact CG-CG 3.78Å; M87-W147 HydrophobicContact CG-CH2 4.25Å; M87-W147 HydrophobicContact CG-CZ2 3.87Å; M87-W147 HydrophobicContact CG-CZ3 4.25Å; M87-W147 HydrophobicContact SD-CD2 4.49Å; M87-W147 HydrophobicContact SD-CH2 4.09Å; M87-W147 HydrophobicContact SD-CZ2 3.87Å; M87-W147 HydrophobicContact SD-CZ3 4.49Å |
| 88 | G | 97.1 | Very high | 97.1 | Very high | 5 Ų | 5 | 42.9 Ų | 42.9 | 5% | 0.052 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | 35.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A84 V85 K86 E140 | A84-G88 PolarHBondContact O-N 2.94Å; V85-G88 PolarHBondContact O-N 2.93Å; V85-G88 VanDerWaalsContact O-N 3.13Å; K86-G88 VanDerWaalsContact C-N 3.27Å; G88-E140 PolarHBondContact O-N 2.6Å |
| 89 | I | 98.3 | Very high | 96.9 | Very high | 7 Ų | 7 | 42.9 Ų | 42.9 | 4% | 0.036 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 138.7 | 179.7 | 68.8 | 169.9 | 0 | 0 | 0 | 111.6 | L75 W78 L79 A84 M87 M138 V139 | L75-I89 HydrophobicContact CD2-CG2 4.06Å; L75-I89 WeakPolarHBondContact O-CD1 3.3Å; W78-I89 HydrophobicContact CB-CD1 3.53Å; L79-I89 HydrophobicContact CD2-CD1 4.27Å; L79-I89 HydrophobicContact CD2-CG1 4.22Å; A84-I89 HydrophobicContact CB-CD1 4.25Å; A84-I89 HydrophobicContact CB-CG1 3.84Å; A84-I89 WeakPolarHBondContact O-CG1 3.43Å; A84-I89 PolarHBondContact O-N 3.13Å; M87-I89 HydrophobicContact CB-CD1 4.45Å; M87-I89 HydrophobicContact CB-CG1 4.05Å; M87-I89 HydrophobicContact CB-CG2 3.99Å; M87-I89 HydrophobicContact CE-CD1 3.95Å; M87-I89 HydrophobicContact SD-CD1 4.11Å; I89-M138 WeakPolarHBondContact CA-O 3.45Å; I89-M138 WeakPolarHBondContact CB-O 3.47Å; I89-V139 HydrophobicContact CG2-CB 4.31Å; I89-V139 HydrophobicContact CG2-CG1 4.08Å; I89-V139 HydrophobicContact CG2-CG2 4.11Å |
| 90 | F | 98.2 | Very high | 96.5 | Very high | 56 Ų | 56 | 44 Ų | 44 | 25% | 0.246 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163 | 162.9 | 177.6 | 55.6 | -84.2 | 0 | 0 | 0 | 110.5 | Q92 L137 M138 E140 | F90-Q92 HydrophobicContact CE2-CB 4.46Å; F90-L137 WeakPolarHBondContact O-CA 3.36Å; F90-M138 HydrophobicContact CD1-CB 3.9Å; F90-M138 HydrophobicContact CD2-CB 4.02Å; F90-M138 HydrophobicContact CD2-CG 4.1Å; F90-M138 HydrophobicContact CE1-CB 3.55Å; F90-M138 HydrophobicContact CE1-CG 4.18Å; F90-M138 HydrophobicContact CE2-CB 3.7Å; F90-M138 HydrophobicContact CE2-CG 3.48Å; F90-M138 VanDerWaalsContact CE2-CG 3.48Å; F90-M138 HydrophobicContact CG-CB 4.12Å; F90-M138 HydrophobicContact CZ-CB 3.44Å; F90-M138 VanDerWaalsContact CZ-CB 3.44Å; F90-M138 HydrophobicContact CZ-CG 3.52Å; F90-M138 PolarHBondContact N-O 3.36Å; F90-M138 PolarHBondContact O-N 3.37Å; F90-E140 HydrophobicContact CE1-CG 4.37Å |
| 91 | L | 98.5 | Very high | 96.3 | Very high | 81 Ų | 81 | 42.7 Ų | 42.7 | 42% | 0.424 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 140.8 | 174.9 | -69 | 172.1 | 0 | 0 | 0 | 111.1 | L76 L79 L112 T135 A136 L137 | L76-L91 HydrophobicContact CD1-CD2 4.24Å; L79-L91 HydrophobicContact CD1-CD1 3.94Å; L79-L91 HydrophobicContact CD1-CD2 3.78Å; L79-L91 HydrophobicContact CD1-CG 3.58Å; L91-L112 HydrophobicContact CD1-CD1 4.49Å; L91-L112 HydrophobicContact CD2-CD1 3.92Å; L91-T135 HydrophobicContact CB-CG2 4.02Å; L91-T135 HydrophobicContact CD2-CG2 4.1Å; L91-T135 HydrophobicContact CG-CG2 4.47Å; L91-A136 WeakPolarHBondContact CA-O 3.34Å; L91-L137 HydrophobicContact CD2-CD2 3.77Å; L91-L137 HydrophobicContact CD2-CG 4.26Å |
| 92 | Q | 98.3 | Very high | 96 | Very high | 19 Ų | 19 | 43.3 Ų | 43.3 | 9% | 0.089 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 136 | 170.4 | -162.6 | 160.4 | -91.7 | 0 | 0 | 111.7 | F90 A136 M138 W213 P231 | F90-Q92 HydrophobicContact CE2-CB 4.46Å; Q92-A136 PolarHBondContact N-O 3.07Å; Q92-A136 PolarHBondContact O-N 3.33Å; Q92-M138 HydrophobicContact CB-CG 3.93Å; Q92-W213 PolarHBondContact O-NE1 2.81Å; Q92-W213 VanDerWaalsContact O-NE1 3.1Å; Q92-P231 PolarHBondContact NE2-O 2.64Å; Q92-P231 PolarHBondContact OE1-O 3.45Å |
| 93 | S | 98.8 | Very high | 95.9 | Very high | 32 Ų | 32 | 42.2 Ų | 42.2 | 22% | 0.224 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 159.3 | 178.9 | -44.7 | 0 | 0 | 0 | 0 | 111.3 | N134 T135 H212 W213 | S93-N134 VanDerWaalsContact CA-O 3.3Å; S93-N134 WeakPolarHBondContact CA-O 3.29Å; S93-T135 WeakPolarHBondContact CB-OG1 3.48Å; S93-T135 PolarHBondContact OG-OG1 3.39Å; S93-H212 WeakPolarHBondContact O-CA 3.38Å; S93-H212 PolarHBondContact O-CD2 2.88Å; S93-W213 VanDerWaalsContact O-CD1 3.25Å; S93-W213 PolarHBondContact O-N 3.16Å; S93-W213 PolarHBondContact O-NE1 3.01Å |
| 94 | G | 98.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.5 | -165.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115 | F133 N134 W213 | G94-F133 WeakPolarHBondContact O-CA 3.4Å; G94-F133 VanDerWaalsContact O-CD2 3.26Å; G94-F133 WeakPolarHBondContact O-CD2 3.36Å; G94-N134 PolarHBondContact N-O 3.25Å; G94-N134 PolarHBondContact O-N 3.48Å; G94-W213 CarbonylContact C-O 3.58Å; G94-W213 WeakPolarHBondContact CA-O 2.98Å; G94-W213 VanDerWaalsContact N-CE2 3.25Å; G94-W213 VanDerWaalsContact O-CH2 3.3Å; G94-W213 WeakPolarHBondContact O-CH2 3.36Å; G94-W213 WeakPolarHBondContact O-CZ2 3.34Å |
| 95 | Y | 98.8 | Very high | 95.8 | Very high | 18 Ų | 18 | 43.3 Ų | 43.3 | 7% | 0.071 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 121.4 | -160.9 | -52 | -87.3 | 0 | 0 | 0 | 111.5 | L117 E121 F125 F133 H212 W213 I214 I215 | Y95-L117 HydrophobicContact CD1-CD1 4.32Å; Y95-L117 HydrophobicContact CD1-CD2 3.62Å; Y95-L117 HydrophobicContact CE1-CD2 4.12Å; Y95-E121 HydrophobicContact CE1-CG 4.5Å; Y95-F125 AromaticContact CD1-CE2 3.76Å; Y95-F125 HydrophobicContact CD1-CE2 3.76Å; Y95-F125 HydrophobicContact CD1-CZ 4.22Å; Y95-F125 HydrophobicContact CD2-CE2 4.06Å; Y95-F125 AromaticContact CD2-CZ 3.66Å; Y95-F125 HydrophobicContact CD2-CZ 3.66Å; Y95-F125 HydrophobicContact CE1-CE2 4.14Å; Y95-F125 HydrophobicContact CE2-CE2 4.4Å; Y95-F125 HydrophobicContact CE2-CZ 4Å; Y95-F125 AromaticContact CG-CE2 3.73Å; Y95-F125 HydrophobicContact CG-CE2 3.73Å; Y95-F125 AromaticContact CG-CZ 3.78Å; Y95-F125 HydrophobicContact CG-CZ 3.78Å; Y95-F133 HydrophobicContact CD1-CD2 4.04Å; Y95-F133 AromaticContact CE1-CD2 3.73Å; Y95-F133 HydrophobicContact CE1-CD2 3.73Å; Y95-F133 HydrophobicContact CE1-CE2 4.22Å; Y95-H212 HydrophobicContact CD2-CB 4.02Å; Y95-H212 HydrophobicContact CE2-CB 3.62Å; Y95-H212 AromaticContact CE2-CG 3.75Å; Y95-W213 PolarHBondContact N-O 3.36Å; Y95-W213 VanDerWaalsContact O-CZ3 3.23Å; Y95-W213 WeakPolarHBondContact O-CZ3 3.29Å; Y95-I214 HydrophobicContact CD2-CG1 4.36Å; Y95-I214 WeakPolarHBondContact O-CA 3.42Å; Y95-I215 PolarHBondContact O-N 2.93Å |
| 96 | N | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 124.5 | 160.8 | -80.8 | -72.4 | 0 | 0 | 0 | 107.9 | Q53 G131 W132 W213 I215 H217 | Q53-N96 PolarHBondContact NE2-OD1 2.91Å; Q53-N96 PolarHBondContact OE1-ND2 3.17Å; Q53-N96 PolarHBondContact OE1-OD1 3.44Å; N96-G131 CarbonylContact O-C 3.44Å; N96-G131 WeakPolarHBondContact O-CA 3.21Å; N96-W132 HydrophobicContact CB-CB 4.48Å; N96-W132 HydrophobicContact CB-CE3 3.66Å; N96-W132 HydrophobicContact CB-CZ3 4.36Å; N96-W132 PolarHBondContact N-O 2.88Å; N96-W132 PolarHBondContact O-N 3.5Å; N96-W213 HydrophobicContact CB-CZ3 4.43Å; N96-W213 VanDerWaalsContact ND2-CH2 3.29Å; N96-W213 WeakPolarHBondContact ND2-CH2 3.2Å; N96-W213 VanDerWaalsContact ND2-CZ3 3.35Å; N96-W213 WeakPolarHBondContact ND2-CZ3 3.41Å; N96-I215 CarbonylContact C-O 3.55Å; N96-I215 VanDerWaalsContact CA-O 3.31Å; N96-I215 WeakPolarHBondContact CA-O 3.03Å; N96-H217 PolarHBondContact OD1-NE2 3.46Å |
| 97 | L | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 133.3 | -172.8 | -61.8 | 173 | 0 | 0 | 0 | 111.5 | L117 F125 Y128 I214 I215 T216 H217 L266 | L97-L117 HydrophobicContact CD2-CD1 3.6Å; L97-F125 HydrophobicContact CD1-CB 3.77Å; L97-F125 HydrophobicContact CD1-CD1 3.64Å; L97-F125 HydrophobicContact CD1-CD2 3.97Å; L97-F125 HydrophobicContact CD1-CE1 4.19Å; L97-F125 HydrophobicContact CD1-CE2 4.48Å; L97-F125 HydrophobicContact CD1-CG 3.5Å; L97-F125 HydrophobicContact CD2-CB 4.12Å; L97-F125 HydrophobicContact CD2-CD2 3.57Å; L97-F125 HydrophobicContact CD2-CE2 4.14Å; L97-F125 HydrophobicContact CD2-CG 3.89Å; L97-F125 HydrophobicContact CG-CD2 4.39Å; L97-F125 HydrophobicContact CG-CG 4.36Å; L97-Y128 HydrophobicContact CB-CD1 3.59Å; L97-Y128 HydrophobicContact CB-CD2 4.32Å; L97-Y128 HydrophobicContact CB-CE1 4.05Å; L97-Y128 HydrophobicContact CB-CG 3.74Å; L97-Y128 HydrophobicContact CD1-CD2 4.1Å; L97-Y128 HydrophobicContact CD1-CE2 4.37Å; L97-Y128 HydrophobicContact CD1-CG 4.31Å; L97-Y128 HydrophobicContact CG-CG 4.48Å; L97-I214 HydrophobicContact CD1-CG2 3.51Å; L97-I214 HydrophobicContact CG-CG2 4.35Å; L97-I215 PolarHBondContact N-O 2.95Å; L97-T216 HydrophobicContact CB-CG2 4.21Å; L97-T216 HydrophobicContact CD1-CG2 4.16Å; L97-T216 CarbonylContact O-C 3.57Å; L97-T216 WeakPolarHBondContact O-CA 3.39Å; L97-H217 PolarHBondContact O-N 2.83Å; L97-L266 HydrophobicContact CD1-CD1 4.03Å |
| 98 | C | 94.8 | Very high | 95.9 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.007 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 138.5 | -174.8 | -54.7 | 0 | 0 | 0 | 0 | 110.4 | E100 L102 K129 F130 | C98-E100 VanDerWaalsContact C-N 3.34Å; C98-E100 WeakPolarHBondContact CB-O 3.31Å; C98-L102 HydrophobicContact CB-CD1 4.25Å; C98-L102 HydrophobicContact CB-CG 4.4Å; C98-K129 PolarHBondContact O-N 2.97Å; C98-K129 VanDerWaalsContact O-N 3.07Å; C98-F130 HydrophobicContact CB-CB 4.19Å; C98-F130 PolarHBondContact N-O 3.28Å; C98-F130 PolarHBondContact O-N 3.26Å; C98-F130 VanDerWaalsContact O-N 3.15Å |
| 99 | T | 92 | Very high | 95.9 | Very high | 62 Ų | 62 | 42.7 Ų | 42.7 | 38% | 0.38 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -78.3 | -22.4 | 175.6 | 52.7 | 0 | 0 | 0 | 0 | 112.8 | Y128 | T99-Y128 HydrophobicContact CG2-CD1 4.08Å; T99-Y128 HydrophobicContact CG2-CE1 4.12Å |
| 100 | E | 89.8 | Confident | 95.9 | Very high | 75 Ų | 75 | 43.2 Ų | 43.2 | 35% | 0.35 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -134 | 160.1 | -179.2 | 65.8 | -173.1 | 177.5 | 0 | 0 | 110.8 | C98 L102 S219 | C98-E100 VanDerWaalsContact C-N 3.34Å; C98-E100 WeakPolarHBondContact CB-O 3.31Å; E100-L102 HydrophobicContact CG-CD2 4.27Å; E100-L102 PolarHBondContact O-N 3.03Å; E100-S219 WeakPolarHBondContact OE1-CB 3.42Å; E100-S219 PolarHBondContact OE1-OG 3.5Å |
| 101 | P | 90.1 | Very high | 96 | Very high | 90 Ų | 90 | 41 Ų | 41 | 58% | 0.584 | 23% | 0.227 | S | C | * | . | trans | -61.9 | 128.2 | 176.3 | -10.7 | 21.2 | 0 | 0 | 0 | 110.2 | F130 | P101-F130 HydrophobicContact CB-CD1 4.32Å; P101-F130 HydrophobicContact CB-CD2 4.42Å; P101-F130 HydrophobicContact CB-CE1 4.2Å; P101-F130 HydrophobicContact CB-CE2 4.32Å; P101-F130 HydrophobicContact CB-CG 4.44Å; P101-F130 HydrophobicContact CB-CZ 4.23Å; P101-F130 VanDerWaalsContact CD-CE2 3.43Å; P101-F130 HydrophobicContact CG-CD1 4.47Å; P101-F130 HydrophobicContact CG-CD2 4.11Å; P101-F130 HydrophobicContact CG-CE1 3.97Å; P101-F130 HydrophobicContact CG-CE2 3.59Å; P101-F130 HydrophobicContact CG-CZ 3.52Å; P101-F130 VanDerWaalsContact N-CD2 3.33Å | ||
| 102 | L | 90.3 | Very high | 96 | Very high | 45 Ų | 45 | 40.3 Ų | 40.3 | 24% | 0.236 | 22% | 0.223 | C | C | . | . | trans | -120.9 | 146.5 | 175.1 | -70.2 | -173.2 | 0 | 0 | 0 | 109.7 | L56 Y57 C98 E100 W132 H217 | L56-L102 HydrophobicContact CD1-CD1 4.13Å; Y57-L102 WeakPolarHBondContact OH-CB 3.23Å; C98-L102 HydrophobicContact CB-CD1 4.25Å; C98-L102 HydrophobicContact CB-CG 4.4Å; E100-L102 HydrophobicContact CG-CD2 4.27Å; E100-L102 PolarHBondContact O-N 3.03Å; L102-W132 HydrophobicContact CB-CH2 3.78Å; L102-W132 HydrophobicContact CB-CZ2 4.03Å; L102-W132 HydrophobicContact CD1-CH2 4.43Å; L102-H217 HydrophobicContact CD1-CB 4.37Å | ||
| 103 | P | 92.3 | Very high | 96 | Very high | 89 Ų | 89 | 42 Ų | 42 | 58% | 0.578 | 25% | 0.246 | S | C | * | . | P | Polyproline II helix | trans | -54.1 | 151.9 | 168.6 | -24.7 | 32.6 | 0 | 0 | 0 | 111.9 | Y57 W132 | Y57-P103 HydrophobicContact CE1-CB 4.1Å; Y57-P103 WeakPolarHBondContact OH-CD 3.43Å; Y57-P103 PolarHBondContact OH-O 3.12Å; P103-W132 WeakPolarHBondContact O-CH2 3.48Å; P103-W132 WeakPolarHBondContact O-CZ2 3.47Å |
| 104 | E | 94.8 | Very high | 96 | Very high | 82 Ų | 82 | 42.4 Ų | 42.4 | 38% | 0.383 | 24% | 0.243 | S | C | . | . | P | Polyproline II helix | trans | -61.6 | 141.9 | 174 | -61.7 | -177.5 | 151.6 | 0 | 0 | 110.9 | K108 F114 | E104-K108 HydrophobicContact CB-CD 3.82Å; E104-K108 HydrophobicContact CG-CD 4.49Å; E104-K108 WeakPolarHBondContact OE2-CD 3.27Å; E104-K108 WeakPolarHBondContact OE2-CE 3.44Å; E104-K108 IonicContact OE2-NZ 3.02Å; E104-K108 PolarHBondContact OE2-NZ 3.01Å; E104-F114 HydrophobicContact CB-CZ 4.36Å; E104-F114 HydrophobicContact CG-CE1 4.27Å; E104-F114 HydrophobicContact CG-CZ 4.37Å |
| 105 | P | 95.9 | Very high | 96 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.013 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 155.1 | -177 | 29.4 | -34.7 | 0 | 0 | 0 | 112.3 | L56 F107 K108 F114 W132 | L56-P105 HydrophobicContact CB-CB 4.44Å; L56-P105 HydrophobicContact CD2-CB 4.08Å; L56-P105 CarbonylContact O-C 3.51Å; L56-P105 WeakPolarHBondContact O-CA 3.47Å; L56-P105 VanDerWaalsContact O-CB 3.27Å; L56-P105 WeakPolarHBondContact O-CB 3.34Å; P105-F107 HydrophobicContact CB-CD1 3.81Å; P105-F107 HydrophobicContact CB-CD2 4.44Å; P105-F107 HydrophobicContact CB-CE1 3.5Å; P105-F107 VanDerWaalsContact CB-CE1 3.5Å; P105-F107 HydrophobicContact CB-CE2 4.15Å; P105-F107 HydrophobicContact CB-CG 4.28Å; P105-F107 HydrophobicContact CB-CZ 3.68Å; P105-F107 HydrophobicContact CG-CD1 4.47Å; P105-F107 HydrophobicContact CG-CD2 4.25Å; P105-F107 HydrophobicContact CG-CE1 4.09Å; P105-F107 HydrophobicContact CG-CE2 3.82Å; P105-F107 HydrophobicContact CG-CZ 3.73Å; P105-F107 PolarHBondContact O-N 3.27Å; P105-F107 VanDerWaalsContact O-N 3.08Å; P105-K108 HydrophobicContact CG-CB 4.43Å; P105-K108 WeakPolarHBondContact O-CB 3.47Å; P105-K108 PolarHBondContact O-N 3.32Å; P105-K108 VanDerWaalsContact O-N 3.12Å; P105-F114 HydrophobicContact CG-CE2 3.73Å; P105-F114 HydrophobicContact CG-CZ 4.12Å; P105-W132 HydrophobicContact CG-CE3 4.43Å |
| 106 | S | 96.3 | Very high | 95.9 | Very high | 37 Ų | 37 | 52.1 Ų | 52.1 | 26% | 0.259 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -17.5 | -179.2 | 60 | 0 | 0 | 0 | 0 | 113.9 | L56 | L56-S106 PolarHBondContact O-N 2.94Š|
| 107 | F | 97 | Very high | 96 | Very high | 1 Ų | 1 | 53 Ų | 53 | 0% | 0.004 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 4.6 | 179.7 | 62.1 | -103.4 | 0 | 0 | 0 | 114.4 | W52 Q53 P54 L56 P105 D109 I110 V111 | W52-F107 HydrophobicContact CH2-CB 4.27Å; W52-F107 HydrophobicContact CZ3-CB 4.36Å; Q53-F107 HydrophobicContact CG-CE1 3.85Å; Q53-F107 HydrophobicContact CG-CE2 4.2Å; Q53-F107 HydrophobicContact CG-CZ 3.61Å; P54-F107 HydrophobicContact CB-CD1 4.08Å; P54-F107 HydrophobicContact CG-CB 4.01Å; P54-F107 HydrophobicContact CG-CD1 3.99Å; P54-F107 HydrophobicContact CG-CG 4.26Å; L56-F107 HydrophobicContact CD2-CE1 4.21Å; L56-F107 HydrophobicContact CD2-CZ 4.26Å; P105-F107 HydrophobicContact CB-CD1 3.81Å; P105-F107 HydrophobicContact CB-CD2 4.44Å; P105-F107 HydrophobicContact CB-CE1 3.5Å; P105-F107 VanDerWaalsContact CB-CE1 3.5Å; P105-F107 HydrophobicContact CB-CE2 4.15Å; P105-F107 HydrophobicContact CB-CG 4.28Å; P105-F107 HydrophobicContact CB-CZ 3.68Å; P105-F107 HydrophobicContact CG-CD1 4.47Å; P105-F107 HydrophobicContact CG-CD2 4.25Å; P105-F107 HydrophobicContact CG-CE1 4.09Å; P105-F107 HydrophobicContact CG-CE2 3.82Å; P105-F107 HydrophobicContact CG-CZ 3.73Å; P105-F107 PolarHBondContact O-N 3.27Å; P105-F107 VanDerWaalsContact O-N 3.08Å; F107-D109 PolarHBondContact O-N 3.05Å; F107-D109 VanDerWaalsContact O-N 3.13Å; F107-I110 HydrophobicContact CB-CD1 4.18Å; F107-I110 WeakPolarHBondContact O-CB 3.35Å; F107-I110 PolarHBondContact O-N 3.28Å; F107-V111 HydrophobicContact CD2-CG1 3.84Å; F107-V111 HydrophobicContact CD2-CG2 4.29Å; F107-V111 HydrophobicContact CE2-CG1 4.42Å; F107-V111 PolarHBondContact O-N 3.44Å |
| 108 | K | 97.9 | Very high | 96 | Very high | 64 Ų | 64 | 56.4 Ų | 56.4 | 28% | 0.278 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -37.4 | -173.8 | 69.5 | 175.8 | -171.7 | 164.8 | 0 | 113.8 | E104 P105 V111 F114 | E104-K108 HydrophobicContact CB-CD 3.82Å; E104-K108 HydrophobicContact CG-CD 4.49Å; E104-K108 WeakPolarHBondContact OE2-CD 3.27Å; E104-K108 WeakPolarHBondContact OE2-CE 3.44Å; E104-K108 IonicContact OE2-NZ 3.02Å; E104-K108 PolarHBondContact OE2-NZ 3.01Å; P105-K108 HydrophobicContact CG-CB 4.43Å; P105-K108 WeakPolarHBondContact O-CB 3.47Å; P105-K108 PolarHBondContact O-N 3.32Å; P105-K108 VanDerWaalsContact O-N 3.12Å; K108-V111 WeakPolarHBondContact O-CG2 3.26Å; K108-F114 HydrophobicContact CB-CD1 3.74Å; K108-F114 HydrophobicContact CB-CD2 3.88Å; K108-F114 HydrophobicContact CB-CE1 3.79Å; K108-F114 HydrophobicContact CB-CE2 3.92Å; K108-F114 HydrophobicContact CB-CG 3.78Å; K108-F114 HydrophobicContact CB-CZ 3.88Å; K108-F114 HydrophobicContact CD-CE1 4.46Å; K108-F114 WeakPolarHBondContact O-CB 3.45Å |
| 109 | D | 97.6 | Very high | 96.1 | Very high | 135 Ų | 135 | 63.6 Ų | 63.6 | 72% | 0.722 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -3 | -177.5 | -57.5 | -50.5 | 0 | 0 | 0 | 112.6 | F107 | F107-D109 PolarHBondContact O-N 3.05Å; F107-D109 VanDerWaalsContact O-N 3.13Å |
| 110 | I | 98.5 | Very high | 96.4 | Very high | 18 Ų | 18 | 70.4 Ų | 70.4 | 9% | 0.092 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -42.9 | 175.2 | -56.6 | 173.9 | 0 | 0 | 0 | 110 | W52 T65 K69 F72 F107 | W52-I110 HydrophobicContact CH2-CB 4.03Å; W52-I110 HydrophobicContact CH2-CD1 4.27Å; W52-I110 HydrophobicContact CH2-CG2 3.44Å; W52-I110 VanDerWaalsContact CH2-CG2 3.44Å; W52-I110 HydrophobicContact CZ2-CG2 3.95Å; W52-I110 HydrophobicContact CZ3-CG2 4.13Å; T65-I110 HydrophobicContact CG2-CD1 4.18Å; K69-I110 HydrophobicContact CB-CD1 3.83Å; K69-I110 HydrophobicContact CB-CG1 4.14Å; K69-I110 HydrophobicContact CB-CG2 4.33Å; K69-I110 HydrophobicContact CG-CD1 4.36Å; K69-I110 HydrophobicContact CG-CG1 4.1Å; K69-I110 HydrophobicContact CG-CG2 4.12Å; F72-I110 HydrophobicContact CB-CG2 3.63Å; F72-I110 HydrophobicContact CD1-CG2 3.96Å; F72-I110 WeakPolarHBondContact CD1-O 3.5Å; F72-I110 HydrophobicContact CD2-CG2 4.28Å; F72-I110 WeakPolarHBondContact CE1-O 3.49Å; F72-I110 HydrophobicContact CG-CG2 3.69Å; F107-I110 HydrophobicContact CB-CD1 4.18Å; F107-I110 WeakPolarHBondContact O-CB 3.35Å; F107-I110 PolarHBondContact O-N 3.28Å |
| 111 | V | 98.7 | Very high | 96.9 | Very high | 11 Ų | 11 | 68 Ų | 68 | 7% | 0.067 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -76 | 162.7 | -179.1 | -61.5 | 0 | 0 | 0 | 0 | 111.9 | W52 F107 K108 F114 N134 A136 | W52-V111 HydrophobicContact CE3-CG1 4.02Å; W52-V111 HydrophobicContact CZ3-CG1 3.53Å; F107-V111 HydrophobicContact CD2-CG1 3.84Å; F107-V111 HydrophobicContact CD2-CG2 4.29Å; F107-V111 HydrophobicContact CE2-CG1 4.42Å; F107-V111 PolarHBondContact O-N 3.44Å; K108-V111 WeakPolarHBondContact O-CG2 3.26Å; V111-F114 HydrophobicContact CG2-CB 3.96Å; V111-F114 HydrophobicContact CG2-CD2 4.17Å; V111-N134 HydrophobicContact CB-CB 4.12Å; V111-N134 HydrophobicContact CG2-CB 3.59Å; V111-A136 HydrophobicContact CG1-CB 4.06Å |
| 112 | L | 98.8 | Very high | 97.2 | Very high | 65 Ų | 65 | 65.3 Ų | 65.3 | 34% | 0.34 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 129.1 | -176.8 | -55.8 | 176.9 | 0 | 0 | 0 | 110.9 | F72 L76 L91 F114 T135 | F72-L112 HydrophobicContact CE1-CD2 4.33Å; F72-L112 HydrophobicContact CE1-CG 4.33Å; F72-L112 HydrophobicContact CZ-CG 4.06Å; L76-L112 HydrophobicContact CD1-CD1 4.07Å; L91-L112 HydrophobicContact CD1-CD1 4.49Å; L91-L112 HydrophobicContact CD2-CD1 3.92Å; L112-F114 PolarHBondContact O-N 3.46Å; L112-T135 PolarHBondContact N-O 3.15Å; L112-T135 PolarHBondContact O-N 2.98Å |
| 113 | G | 98.4 | Very high | 97.6 | Very high | 56 Ų | 56 | 69.5 Ų | 69.5 | 58% | 0.577 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 64.3 | 36.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | R115 | G113-R115 PolarHBondContact O-N 2.96Å |
| 114 | F | 98.8 | Very high | 97.8 | Very high | 39 Ų | 39 | 70.3 Ų | 70.3 | 17% | 0.171 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 132.9 | 173.9 | -178.5 | -89.5 | 0 | 0 | 0 | 111.3 | E104 P105 K108 V111 L112 W132 F133 N134 | E104-F114 HydrophobicContact CB-CZ 4.36Å; E104-F114 HydrophobicContact CG-CE1 4.27Å; E104-F114 HydrophobicContact CG-CZ 4.37Å; P105-F114 HydrophobicContact CG-CE2 3.73Å; P105-F114 HydrophobicContact CG-CZ 4.12Å; K108-F114 HydrophobicContact CB-CD1 3.74Å; K108-F114 HydrophobicContact CB-CD2 3.88Å; K108-F114 HydrophobicContact CB-CE1 3.79Å; K108-F114 HydrophobicContact CB-CE2 3.92Å; K108-F114 HydrophobicContact CB-CG 3.78Å; K108-F114 HydrophobicContact CB-CZ 3.88Å; K108-F114 HydrophobicContact CD-CE1 4.46Å; K108-F114 WeakPolarHBondContact O-CB 3.45Å; V111-F114 HydrophobicContact CG2-CB 3.96Å; V111-F114 HydrophobicContact CG2-CD2 4.17Å; L112-F114 PolarHBondContact O-N 3.46Å; F114-W132 HydrophobicContact CD2-CB 4.33Å; F114-W132 HydrophobicContact CE2-CB 3.56Å; F114-W132 AromaticContact CE2-CD1 3.93Å; F114-W132 HydrophobicContact CE2-CD2 4.23Å; F114-W132 AromaticContact CE2-CG 3.61Å; F114-W132 HydrophobicContact CE2-CG 3.61Å; F114-W132 HydrophobicContact CZ-CB 3.87Å; F114-W132 AromaticContact CZ-CD1 3.3Å; F114-W132 HydrophobicContact CZ-CD2 4.12Å; F114-W132 AromaticContact CZ-CG 3.47Å; F114-W132 HydrophobicContact CZ-CG 3.47Å; F114-W132 VanDerWaalsContact CZ-CG 3.47Å; F114-W132 AromaticContact CZ-NE1 3.83Å; F114-F133 CarbonylContact C-O 3.59Å; F114-F133 WeakPolarHBondContact CA-O 3.36Å; F114-N134 HydrophobicContact CB-CB 4.42Å; F114-N134 HydrophobicContact CD2-CB 4.4Å |
| 115 | R | 98.5 | Very high | 97.9 | Very high | 92 Ų | 92 | 66.9 Ų | 66.9 | 35% | 0.347 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 164.5 | 173.3 | 57.8 | 175.8 | 178.6 | 78.9 | 0.5 | 111.2 | G113 E121 W132 F133 | G113-R115 PolarHBondContact O-N 2.96Å; R115-E121 IonicContact CZ-OE1 3.77Å; R115-E121 IonicContact CZ-OE2 3.61Å; R115-E121 IonicContact NH1-OE1 3.71Å; R115-E121 PolarHBondContact NH1-OE1 3.32Å; R115-E121 IonicContact NH1-OE2 2.64Å; R115-E121 PolarHBondContact NH1-OE2 3.47Å; R115-E121 IonicContact NH2-OE1 2.77Å; R115-E121 PolarHBondContact NH2-OE1 2.84Å; R115-E121 IonicContact NH2-OE2 3.3Å; R115-W132 CarbonylContact O-C 3.53Å; R115-W132 VanDerWaalsContact O-CA 3.22Å; R115-W132 WeakPolarHBondContact O-CA 3.35Å; R115-F133 HydrophobicContact CG-CB 4.15Å; R115-F133 PolarHBondContact N-O 2.88Å; R115-F133 PolarHBondContact O-N 3.45Å |
| 116 | Q | 98.3 | Very high | 97.9 | Very high | 130 Ų | 130 | 72.3 Ų | 72.3 | 61% | 0.607 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 152.2 | 167 | -63.5 | -178.4 | -1 | 0 | 0 | 111 | G131 | Q116-G131 WeakPolarHBondContact CA-O 3.39Å |
| 117 | L | 98.6 | Very high | 97.7 | Very high | 18 Ų | 18 | 73.6 Ų | 73.6 | 9% | 0.094 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 140.7 | 172.5 | -63.9 | -179.8 | 0 | 0 | 0 | 111.3 | Y95 L97 E121 L122 G131 F133 | Y95-L117 HydrophobicContact CD1-CD1 4.32Å; Y95-L117 HydrophobicContact CD1-CD2 3.62Å; Y95-L117 HydrophobicContact CE1-CD2 4.12Å; L97-L117 HydrophobicContact CD2-CD1 3.6Å; L117-E121 HydrophobicContact CB-CB 4.29Å; L117-E121 HydrophobicContact CD2-CB 4.2Å; L117-L122 HydrophobicContact CB-CD2 4.12Å; L117-L122 HydrophobicContact CB-CG 3.98Å; L117-L122 HydrophobicContact CD1-CD2 3.89Å; L117-G131 PolarHBondContact N-O 3.4Å; L117-F133 HydrophobicContact CD2-CB 3.69Å |
| 118 | T | 98.4 | Very high | 97.7 | Very high | 73 Ų | 73 | 75.6 Ų | 75.6 | 45% | 0.448 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -75.6 | 162.4 | 169.5 | 63.2 | 0 | 0 | 0 | 0 | 110.7 | R120 E121 L122 | T118-R120 VanDerWaalsContact C-N 3.26Å; T118-R120 PolarHBondContact O-N 2.89Å; T118-E121 PolarHBondContact N-OE2 3.45Å; T118-E121 PolarHBondContact O-N 2.96Å; T118-E121 VanDerWaalsContact O-N 3.12Å; T118-E121 WeakPolarHBondContact OG1-CG 3.41Å; T118-E121 PolarHBondContact OG1-N 2.95Å; T118-E121 PolarHBondContact OG1-OE2 3.06Å; T118-L122 PolarHBondContact O-N 3.4Å |
| 119 | E | 97.9 | Very high | 97.5 | Very high | 151 Ų | 151 | 79.5 Ų | 79.5 | 71% | 0.706 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -57.4 | -40.4 | 175.7 | -173.7 | 175 | -171.6 | 0 | 0 | 112.3 | E121 L122 Q123 | E119-E121 VanDerWaalsContact C-N 3.31Å; E119-E121 PolarHBondContact O-N 2.99Å; E119-L122 PolarHBondContact O-N 3.05Å; E119-Q123 WeakPolarHBondContact O-CG 3.25Å; E119-Q123 PolarHBondContact O-N 3.17Å |
| 120 | R | 98.4 | Very high | 97.5 | Very high | 206 Ų | 206 | 77.3 Ų | 77.3 | 78% | 0.777 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -63.7 | -35.1 | 177.7 | -173.3 | 177.2 | 179.1 | -179.1 | 0.2 | 112.7 | T118 | T118-R120 VanDerWaalsContact C-N 3.26Å; T118-R120 PolarHBondContact O-N 2.89Å |
| 121 | E | 98.5 | Very high | 97.4 | Very high | 25 Ų | 25 | 76.8 Ų | 76.8 | 12% | 0.117 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -72.7 | -39.2 | 175 | -70.6 | 167.6 | 128.9 | 0 | 0 | 111.4 | Y95 R115 L117 T118 E119 Q123 M124 F125 | Y95-E121 HydrophobicContact CE1-CG 4.5Å; R115-E121 IonicContact CZ-OE1 3.77Å; R115-E121 IonicContact CZ-OE2 3.61Å; R115-E121 IonicContact NH1-OE1 3.71Å; R115-E121 PolarHBondContact NH1-OE1 3.32Å; R115-E121 IonicContact NH1-OE2 2.64Å; R115-E121 PolarHBondContact NH1-OE2 3.47Å; R115-E121 IonicContact NH2-OE1 2.77Å; R115-E121 PolarHBondContact NH2-OE1 2.84Å; R115-E121 IonicContact NH2-OE2 3.3Å; L117-E121 HydrophobicContact CB-CB 4.29Å; L117-E121 HydrophobicContact CD2-CB 4.2Å; T118-E121 PolarHBondContact N-OE2 3.45Å; T118-E121 PolarHBondContact O-N 2.96Å; T118-E121 VanDerWaalsContact O-N 3.12Å; T118-E121 WeakPolarHBondContact OG1-CG 3.41Å; T118-E121 PolarHBondContact OG1-N 2.95Å; T118-E121 PolarHBondContact OG1-OE2 3.06Å; E119-E121 VanDerWaalsContact C-N 3.31Å; E119-E121 PolarHBondContact O-N 2.99Å; E121-Q123 VanDerWaalsContact C-N 3.28Å; E121-Q123 PolarHBondContact O-N 3.34Å; E121-M124 VanDerWaalsContact O-CB 3.25Å; E121-M124 WeakPolarHBondContact O-CB 3.35Å; E121-M124 PolarHBondContact O-N 3.22Å; E121-M124 VanDerWaalsContact O-N 3.1Å; E121-F125 WeakPolarHBondContact O-CD2 3.34Å |
| 122 | L | 98.1 | Very high | 97.4 | Very high | 33 Ų | 33 | 76.7 Ų | 76.7 | 17% | 0.173 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.8 | -33.4 | 175.7 | -71.2 | 168 | 0 | 0 | 0 | 112.4 | L117 T118 E119 M124 F125 K129 | L117-L122 HydrophobicContact CB-CD2 4.12Å; L117-L122 HydrophobicContact CB-CG 3.98Å; L117-L122 HydrophobicContact CD1-CD2 3.89Å; T118-L122 PolarHBondContact O-N 3.4Å; E119-L122 PolarHBondContact O-N 3.05Å; L122-M124 PolarHBondContact O-N 3.08Å; L122-M124 VanDerWaalsContact O-N 3.17Å; L122-F125 CarbonylContact O-C 3.44Å; L122-F125 PolarHBondContact O-N 2.98Å; L122-K129 WeakPolarHBondContact CD1-O 3.46Å |
| 123 | Q | 97.6 | Very high | 97.4 | Very high | 132 Ų | 132 | 75.1 Ų | 75.1 | 62% | 0.617 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -22.2 | 174.1 | -73.8 | 170.1 | 0.5 | 0 | 0 | 113.3 | E119 E121 F125 | E119-Q123 WeakPolarHBondContact O-CG 3.25Å; E119-Q123 PolarHBondContact O-N 3.17Å; E121-Q123 VanDerWaalsContact C-N 3.28Å; E121-Q123 PolarHBondContact O-N 3.34Å; Q123-F125 PolarHBondContact O-N 3.17Å |
| 124 | M | 97.5 | Very high | 97.4 | Very high | 106 Ų | 106 | 72.5 Ų | 72.5 | 52% | 0.522 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -19.5 | 173.2 | -58.6 | 169 | 52.1 | 0 | 0 | 112.5 | E121 L122 P126 | E121-M124 VanDerWaalsContact O-CB 3.25Å; E121-M124 WeakPolarHBondContact O-CB 3.35Å; E121-M124 PolarHBondContact O-N 3.22Å; E121-M124 VanDerWaalsContact O-N 3.1Å; L122-M124 PolarHBondContact O-N 3.08Å; L122-M124 VanDerWaalsContact O-N 3.17Å; M124-P126 WeakPolarHBondContact O-CD 3.46Å |
| 125 | F | 97.3 | Very high | 97.4 | Very high | 10 Ų | 10 | 71.9 Ų | 71.9 | 4% | 0.044 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -127.8 | 73.1 | -173.3 | -51.2 | -71.4 | 0 | 0 | 0 | 111.9 | Y95 L97 E121 L122 Q123 G127 Y128 I214 L266 | Y95-F125 AromaticContact CD1-CE2 3.76Å; Y95-F125 HydrophobicContact CD1-CE2 3.76Å; Y95-F125 HydrophobicContact CD1-CZ 4.22Å; Y95-F125 HydrophobicContact CD2-CE2 4.06Å; Y95-F125 AromaticContact CD2-CZ 3.66Å; Y95-F125 HydrophobicContact CD2-CZ 3.66Å; Y95-F125 HydrophobicContact CE1-CE2 4.14Å; Y95-F125 HydrophobicContact CE2-CE2 4.4Å; Y95-F125 HydrophobicContact CE2-CZ 4Å; Y95-F125 AromaticContact CG-CE2 3.73Å; Y95-F125 HydrophobicContact CG-CE2 3.73Å; Y95-F125 AromaticContact CG-CZ 3.78Å; Y95-F125 HydrophobicContact CG-CZ 3.78Å; L97-F125 HydrophobicContact CD1-CB 3.77Å; L97-F125 HydrophobicContact CD1-CD1 3.64Å; L97-F125 HydrophobicContact CD1-CD2 3.97Å; L97-F125 HydrophobicContact CD1-CE1 4.19Å; L97-F125 HydrophobicContact CD1-CE2 4.48Å; L97-F125 HydrophobicContact CD1-CG 3.5Å; L97-F125 HydrophobicContact CD2-CB 4.12Å; L97-F125 HydrophobicContact CD2-CD2 3.57Å; L97-F125 HydrophobicContact CD2-CE2 4.14Å; L97-F125 HydrophobicContact CD2-CG 3.89Å; L97-F125 HydrophobicContact CG-CD2 4.39Å; L97-F125 HydrophobicContact CG-CG 4.36Å; E121-F125 WeakPolarHBondContact O-CD2 3.34Å; L122-F125 CarbonylContact O-C 3.44Å; L122-F125 PolarHBondContact O-N 2.98Å; Q123-F125 PolarHBondContact O-N 3.17Å; F125-G127 PolarHBondContact O-N 3.01Å; F125-Y128 HydrophobicContact CB-CD2 3.99Å; F125-Y128 PolarHBondContact O-N 3.33Å; F125-Y128 VanDerWaalsContact O-N 3.17Å; F125-I214 HydrophobicContact CE1-CD1 3.88Å; F125-I214 HydrophobicContact CE1-CG1 4.24Å; F125-I214 HydrophobicContact CE1-CG2 4.19Å; F125-L266 HydrophobicContact CD1-CD1 4.38Å |
| 126 | P | 94.7 | Very high | 97.4 | Very high | 116 Ų | 116 | 67.5 Ų | 67.5 | 75% | 0.753 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 134.2 | 178.6 | -26 | 34.7 | 0 | 0 | 0 | 112.7 | M124 | M124-P126 WeakPolarHBondContact O-CD 3.46Š|
| 127 | G | 92.9 | Very high | 97.4 | Very high | 64 Ų | 64 | 61.3 Ų | 61.3 | 66% | 0.66 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.6 | -14.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | F125 | F125-G127 PolarHBondContact O-N 3.01Š|
| 128 | Y | 95.5 | Very high | 97.4 | Very high | 44 Ų | 44 | 60.4 Ų | 60.4 | 17% | 0.173 | 31% | 0.305 | C | S | . | . | trans | -102.5 | 141 | 172.5 | -59.5 | -84.5 | 0 | 0 | 0 | 110.5 | L97 T99 F125 T216 L266 | L97-Y128 HydrophobicContact CB-CD1 3.59Å; L97-Y128 HydrophobicContact CB-CD2 4.32Å; L97-Y128 HydrophobicContact CB-CE1 4.05Å; L97-Y128 HydrophobicContact CB-CG 3.74Å; L97-Y128 HydrophobicContact CD1-CD2 4.1Å; L97-Y128 HydrophobicContact CD1-CE2 4.37Å; L97-Y128 HydrophobicContact CD1-CG 4.31Å; L97-Y128 HydrophobicContact CG-CG 4.48Å; T99-Y128 HydrophobicContact CG2-CD1 4.08Å; T99-Y128 HydrophobicContact CG2-CE1 4.12Å; F125-Y128 HydrophobicContact CB-CD2 3.99Å; F125-Y128 PolarHBondContact O-N 3.33Å; F125-Y128 VanDerWaalsContact O-N 3.17Å; Y128-T216 HydrophobicContact CE1-CG2 3.83Å; Y128-T216 HydrophobicContact CE2-CG2 4.16Å; Y128-T216 VanDerWaalsContact CZ-CG2 3.47Å; Y128-T216 WeakPolarHBondContact OH-CB 3.35Å; Y128-T216 WeakPolarHBondContact OH-CG2 3.49Å; Y128-L266 HydrophobicContact CE2-CD1 3.81Å | ||
| 129 | K | 95.2 | Very high | 97.4 | Very high | 146 Ų | 146 | 57 Ų | 57 | 64% | 0.635 | 28% | 0.284 | S | S | * | . | trans | -118.5 | -18.4 | -173.5 | -64.3 | -175.5 | -178.3 | -178 | 0 | 113.3 | C98 L122 | C98-K129 PolarHBondContact O-N 2.97Å; C98-K129 VanDerWaalsContact O-N 3.07Å; L122-K129 WeakPolarHBondContact CD1-O 3.46Å | ||
| 130 | F | 96.5 | Very high | 97.4 | Very high | 89 Ų | 89 | 51.3 Ų | 51.3 | 39% | 0.39 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 161.2 | -177.9 | -57.6 | -86.7 | 0 | 0 | 0 | 109 | C98 P101 | C98-F130 HydrophobicContact CB-CB 4.19Å; C98-F130 PolarHBondContact N-O 3.28Å; C98-F130 PolarHBondContact O-N 3.26Å; C98-F130 VanDerWaalsContact O-N 3.15Å; P101-F130 HydrophobicContact CB-CD1 4.32Å; P101-F130 HydrophobicContact CB-CD2 4.42Å; P101-F130 HydrophobicContact CB-CE1 4.2Å; P101-F130 HydrophobicContact CB-CE2 4.32Å; P101-F130 HydrophobicContact CB-CG 4.44Å; P101-F130 HydrophobicContact CB-CZ 4.23Å; P101-F130 VanDerWaalsContact CD-CE2 3.43Å; P101-F130 HydrophobicContact CG-CD1 4.47Å; P101-F130 HydrophobicContact CG-CD2 4.11Å; P101-F130 HydrophobicContact CG-CE1 3.97Å; P101-F130 HydrophobicContact CG-CE2 3.59Å; P101-F130 HydrophobicContact CG-CZ 3.52Å; P101-F130 VanDerWaalsContact N-CD2 3.33Å |
| 131 | G | 97.2 | Very high | 97.4 | Very high | 6 Ų | 6 | 41.6 Ų | 41.6 | 6% | 0.062 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.9 | 177.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | N96 Q116 L117 | N96-G131 CarbonylContact O-C 3.44Å; N96-G131 WeakPolarHBondContact O-CA 3.21Å; Q116-G131 WeakPolarHBondContact CA-O 3.39Å; L117-G131 PolarHBondContact N-O 3.4Å |
| 132 | W | 98.5 | Very high | 97.2 | Very high | 10 Ų | 10 | 44.7 Ų | 44.7 | 4% | 0.038 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 147.2 | 178.8 | -47.6 | -68.6 | 0 | 0 | 0 | 110.6 | L56 N96 L102 P103 P105 F114 R115 | L56-W132 HydrophobicContact CD1-CH2 4.46Å; L56-W132 HydrophobicContact CD1-CZ3 4.3Å; L56-W132 HydrophobicContact CD2-CH2 4.49Å; L56-W132 HydrophobicContact CD2-CZ3 3.78Å; N96-W132 HydrophobicContact CB-CB 4.48Å; N96-W132 HydrophobicContact CB-CE3 3.66Å; N96-W132 HydrophobicContact CB-CZ3 4.36Å; N96-W132 PolarHBondContact N-O 2.88Å; N96-W132 PolarHBondContact O-N 3.5Å; L102-W132 HydrophobicContact CB-CH2 3.78Å; L102-W132 HydrophobicContact CB-CZ2 4.03Å; L102-W132 HydrophobicContact CD1-CH2 4.43Å; P103-W132 WeakPolarHBondContact O-CH2 3.48Å; P103-W132 WeakPolarHBondContact O-CZ2 3.47Å; P105-W132 HydrophobicContact CG-CE3 4.43Å; F114-W132 HydrophobicContact CD2-CB 4.33Å; F114-W132 HydrophobicContact CE2-CB 3.56Å; F114-W132 AromaticContact CE2-CD1 3.93Å; F114-W132 HydrophobicContact CE2-CD2 4.23Å; F114-W132 AromaticContact CE2-CG 3.61Å; F114-W132 HydrophobicContact CE2-CG 3.61Å; F114-W132 HydrophobicContact CZ-CB 3.87Å; F114-W132 AromaticContact CZ-CD1 3.3Å; F114-W132 HydrophobicContact CZ-CD2 4.12Å; F114-W132 AromaticContact CZ-CG 3.47Å; F114-W132 HydrophobicContact CZ-CG 3.47Å; F114-W132 VanDerWaalsContact CZ-CG 3.47Å; F114-W132 AromaticContact CZ-NE1 3.83Å; R115-W132 CarbonylContact O-C 3.53Å; R115-W132 VanDerWaalsContact O-CA 3.22Å; R115-W132 WeakPolarHBondContact O-CA 3.35Å |
| 133 | F | 98.8 | Very high | 97.2 | Very high | 31 Ų | 31 | 45.3 Ų | 45.3 | 14% | 0.136 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 139.4 | 167.1 | -178.7 | -90.5 | 0 | 0 | 0 | 109.2 | G94 Y95 F114 R115 L117 | G94-F133 WeakPolarHBondContact O-CA 3.4Å; G94-F133 VanDerWaalsContact O-CD2 3.26Å; G94-F133 WeakPolarHBondContact O-CD2 3.36Å; Y95-F133 HydrophobicContact CD1-CD2 4.04Å; Y95-F133 AromaticContact CE1-CD2 3.73Å; Y95-F133 HydrophobicContact CE1-CD2 3.73Å; Y95-F133 HydrophobicContact CE1-CE2 4.22Å; F114-F133 CarbonylContact C-O 3.59Å; F114-F133 WeakPolarHBondContact CA-O 3.36Å; R115-F133 HydrophobicContact CG-CB 4.15Å; R115-F133 PolarHBondContact N-O 2.88Å; R115-F133 PolarHBondContact O-N 3.45Å; L117-F133 HydrophobicContact CD2-CB 3.69Å |
| 134 | N | 98.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 169.4 | 167.4 | 65.5 | -86.4 | 0 | 0 | 0 | 110.8 | S93 G94 V111 F114 W213 | S93-N134 VanDerWaalsContact CA-O 3.3Å; S93-N134 WeakPolarHBondContact CA-O 3.29Å; G94-N134 PolarHBondContact N-O 3.25Å; G94-N134 PolarHBondContact O-N 3.48Å; V111-N134 HydrophobicContact CB-CB 4.12Å; V111-N134 HydrophobicContact CG2-CB 3.59Å; F114-N134 HydrophobicContact CB-CB 4.42Å; F114-N134 HydrophobicContact CD2-CB 4.4Å; N134-W213 WeakPolarHBondContact O-CZ2 3.34Å; N134-W213 VanDerWaalsContact OD1-CH2 3.29Å; N134-W213 WeakPolarHBondContact OD1-CH2 3.36Å; N134-W213 WeakPolarHBondContact OD1-CZ2 3.41Å |
| 135 | T | 98.9 | Very high | 97.3 | Very high | 26 Ų | 26 | 34 Ų | 34 | 16% | 0.16 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 134.2 | 165 | -57.1 | 0 | 0 | 0 | 0 | 108.9 | L91 S93 L112 | L91-T135 HydrophobicContact CB-CG2 4.02Å; L91-T135 HydrophobicContact CD2-CG2 4.1Å; L91-T135 HydrophobicContact CG-CG2 4.47Å; S93-T135 WeakPolarHBondContact CB-OG1 3.48Å; S93-T135 PolarHBondContact OG-OG1 3.39Å; L112-T135 PolarHBondContact N-O 3.15Å; L112-T135 PolarHBondContact O-N 2.98Å |
| 136 | A | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | -165.7 | 175 | 0 | 0 | 0 | 0 | 0 | 109.8 | F51 W52 F72 L91 Q92 V111 | F51-A136 HydrophobicContact CE2-CB 3.68Å; F51-A136 HydrophobicContact CZ-CB 3.81Å; W52-A136 HydrophobicContact CE3-CB 4.39Å; F72-A136 HydrophobicContact CE2-CB 4.18Å; L91-A136 WeakPolarHBondContact CA-O 3.34Å; Q92-A136 PolarHBondContact N-O 3.07Å; Q92-A136 PolarHBondContact O-N 3.33Å; V111-A136 HydrophobicContact CG1-CB 4.06Å |
| 137 | L | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 139.9 | -173.6 | -69.4 | 157.8 | 0 | 0 | 0 | 110.8 | W52 F72 L75 L76 L79 F90 L91 | W52-L137 HydrophobicContact CB-CB 4.04Å; W52-L137 WeakPolarHBondContact CB-O 3.48Å; W52-L137 PolarHBondContact N-O 3.4Å; F72-L137 HydrophobicContact CD2-CD1 3.69Å; F72-L137 HydrophobicContact CD2-CG 4.38Å; F72-L137 HydrophobicContact CE2-CD1 3.7Å; F72-L137 HydrophobicContact CE2-CG 3.97Å; F72-L137 HydrophobicContact CG-CD1 4.14Å; F72-L137 HydrophobicContact CZ-CD1 4.13Å; F72-L137 HydrophobicContact CZ-CG 4.41Å; L75-L137 HydrophobicContact CB-CD1 3.61Å; L75-L137 HydrophobicContact CD1-CD1 4.44Å; L76-L137 HydrophobicContact CB-CD1 4.29Å; L79-L137 HydrophobicContact CD1-CD2 3.82Å; L79-L137 HydrophobicContact CD2-CD2 3.87Å; L79-L137 HydrophobicContact CG-CD2 4.03Å; F90-L137 WeakPolarHBondContact O-CA 3.36Å; L91-L137 HydrophobicContact CD2-CD2 3.77Å; L91-L137 HydrophobicContact CD2-CG 4.26Å |
| 138 | M | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 144.9 | 157.5 | -70.2 | -61.9 | -63.2 | 0 | 0 | 109 | A49 G50 F51 I89 F90 Q92 I230 P231 | A49-M138 WeakPolarHBondContact O-CE 3.35Å; G50-M138 CarbonylContact O-C 3.53Å; G50-M138 WeakPolarHBondContact O-CA 3.39Å; F51-M138 HydrophobicContact CB-SD 3.88Å; F51-M138 HydrophobicContact CD2-SD 3.78Å; F51-M138 HydrophobicContact CG-SD 4.31Å; I89-M138 WeakPolarHBondContact CA-O 3.45Å; I89-M138 WeakPolarHBondContact CB-O 3.47Å; F90-M138 HydrophobicContact CD1-CB 3.9Å; F90-M138 HydrophobicContact CD2-CB 4.02Å; F90-M138 HydrophobicContact CD2-CG 4.1Å; F90-M138 HydrophobicContact CE1-CB 3.55Å; F90-M138 HydrophobicContact CE1-CG 4.18Å; F90-M138 HydrophobicContact CE2-CB 3.7Å; F90-M138 HydrophobicContact CE2-CG 3.48Å; F90-M138 VanDerWaalsContact CE2-CG 3.48Å; F90-M138 HydrophobicContact CG-CB 4.12Å; F90-M138 HydrophobicContact CZ-CB 3.44Å; F90-M138 VanDerWaalsContact CZ-CB 3.44Å; F90-M138 HydrophobicContact CZ-CG 3.52Å; F90-M138 PolarHBondContact N-O 3.36Å; F90-M138 PolarHBondContact O-N 3.37Å; Q92-M138 HydrophobicContact CB-CG 3.93Å; M138-I230 HydrophobicContact CE-CG2 3.71Å; M138-I230 HydrophobicContact SD-CG2 3.78Å; M138-P231 WeakPolarHBondContact CE-O 3.46Å |
| 139 | V | 98.3 | Very high | 98 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 96.7 | 174.2 | -171.4 | 0 | 0 | 0 | 0 | 107.2 | G50 L75 I89 G141 Y144 L316 | G50-V139 WeakPolarHBondContact CA-O 3.37Å; G50-V139 PolarHBondContact O-N 2.99Å; L75-V139 HydrophobicContact CD1-CG2 3.41Å; L75-V139 VanDerWaalsContact CD1-CG2 3.41Å; L75-V139 HydrophobicContact CD2-CG2 4.09Å; L75-V139 HydrophobicContact CG-CG2 4.35Å; I89-V139 HydrophobicContact CG2-CB 4.31Å; I89-V139 HydrophobicContact CG2-CG1 4.08Å; I89-V139 HydrophobicContact CG2-CG2 4.11Å; V139-G141 PolarHBondContact O-N 2.76Å; V139-Y144 HydrophobicContact CG1-CD1 3.7Å; V139-Y144 HydrophobicContact CG1-CD2 4.4Å; V139-Y144 HydrophobicContact CG1-CE1 4.19Å; V139-Y144 HydrophobicContact CG1-CG 3.82Å; V139-L316 HydrophobicContact CG1-CD2 4.29Å; V139-L316 WeakPolarHBondContact O-CD1 3.35Å |
| 140 | E | 97.8 | Very high | 98.2 | Very high | 32 Ų | 32 | 24 Ų | 24 | 15% | 0.15 | 12% | 0.123 | C | C | . | . | trans | -80 | 111.3 | -175.9 | -64.8 | -173.2 | 127.2 | 0 | 0 | 111 | G88 F90 K142 T143 Y144 G232 S233 | G88-E140 PolarHBondContact O-N 2.6Å; F90-E140 HydrophobicContact CE1-CG 4.37Å; E140-K142 VanDerWaalsContact C-N 3.33Å; E140-K142 PolarHBondContact O-N 2.96Å; E140-T143 PolarHBondContact O-N 2.93Å; E140-Y144 WeakPolarHBondContact O-CB 3.46Å; E140-Y144 PolarHBondContact O-N 3.19Å; E140-G232 WeakPolarHBondContact OE1-CA 3.48Å; E140-S233 PolarHBondContact OE1-N 2.87Å; E140-S233 PolarHBondContact OE1-OG 3.3Å; E140-S233 VanDerWaalsContact OE1-OG 3.07Å; E140-S233 VanDerWaalsContact OE2-CB 3.27Å; E140-S233 WeakPolarHBondContact OE2-CB 3.17Å; E140-S233 PolarHBondContact OE2-OG 3.18Å | ||
| 141 | G | 97.4 | Very high | 98.3 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.01 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -53.4 | -45.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | S45 V139 T143 Y144 L145 | S45-G141 WeakPolarHBondContact O-CA 3.33Å; V139-G141 PolarHBondContact O-N 2.76Å; G141-T143 PolarHBondContact O-N 3.25Å; G141-Y144 PolarHBondContact O-N 3.29Å; G141-L145 WeakPolarHBondContact O-CB 3.48Å; G141-L145 WeakPolarHBondContact O-CD1 3.22Å; G141-L145 PolarHBondContact O-N 2.88Å |
| 142 | K | 95.4 | Very high | 98.3 | Very high | 90 Ų | 90 | 20.8 Ų | 20.8 | 39% | 0.391 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -57.7 | -21 | 177.4 | -66.5 | -168.1 | 177.4 | -179.5 | 0 | 113.6 | D46 E140 P146 E277 | D46-K142 HydrophobicContact CB-CG 4.09Å; D46-K142 VanDerWaalsContact O-CG 3.26Å; D46-K142 WeakPolarHBondContact O-CG 3.43Å; E140-K142 VanDerWaalsContact C-N 3.33Å; E140-K142 PolarHBondContact O-N 2.96Å; K142-P146 WeakPolarHBondContact O-CD 3.27Å; K142-P146 WeakPolarHBondContact O-CG 3.2Å; K142-E277 IonicContact NZ-OE1 3.82Å; K142-E277 IonicContact NZ-OE2 4Å; K142-E277 PolarHBondContact NZ-OE2 3.34Å |
| 143 | T | 97.3 | Very high | 98.3 | Very high | 47 Ų | 47 | 25.8 Ų | 25.8 | 29% | 0.288 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -104.1 | -42 | -179.4 | -49.4 | 0 | 0 | 0 | 0 | 111.1 | K86 E140 G141 P146 W147 | K86-T143 VanDerWaalsContact O-CG2 3.3Å; K86-T143 WeakPolarHBondContact O-CG2 3.3Å; E140-T143 PolarHBondContact O-N 2.93Å; G141-T143 PolarHBondContact O-N 3.25Å; T143-P146 WeakPolarHBondContact O-CD 3.16Å; T143-W147 PolarHBondContact O-N 2.8Å |
| 144 | Y | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69.5 | -38.6 | -176 | -169.7 | -129.7 | 0 | 0 | 0 | 113.4 | V10 M87 V139 E140 G141 W147 L148 H319 | V10-Y144 HydrophobicContact CG2-CD1 3.95Å; V10-Y144 HydrophobicContact CG2-CE1 3.82Å; M87-Y144 HydrophobicContact CB-CD2 4.03Å; M87-Y144 HydrophobicContact CB-CE2 4.42Å; M87-Y144 HydrophobicContact CE-CD2 4.44Å; M87-Y144 HydrophobicContact CE-CE2 3.7Å; M87-Y144 HydrophobicContact CG-CD2 4.4Å; M87-Y144 HydrophobicContact CG-CE2 4.43Å; M87-Y144 WeakPolarHBondContact O-CA 3.34Å; M87-Y144 VanDerWaalsContact O-CB 3.31Å; M87-Y144 WeakPolarHBondContact O-CB 3.47Å; M87-Y144 PolarHBondContact O-N 3.45Å; V139-Y144 HydrophobicContact CG1-CD1 3.7Å; V139-Y144 HydrophobicContact CG1-CD2 4.4Å; V139-Y144 HydrophobicContact CG1-CE1 4.19Å; V139-Y144 HydrophobicContact CG1-CG 3.82Å; E140-Y144 WeakPolarHBondContact O-CB 3.46Å; E140-Y144 PolarHBondContact O-N 3.19Å; G141-Y144 PolarHBondContact O-N 3.29Å; Y144-W147 HydrophobicContact CD2-CE3 4.16Å; Y144-W147 AromaticContact CE2-CE3 3.83Å; Y144-W147 HydrophobicContact CE2-CE3 3.83Å; Y144-W147 AromaticContact CE2-CZ3 3.95Å; Y144-W147 HydrophobicContact CE2-CZ3 3.95Å; Y144-W147 PolarHBondContact O-N 2.92Å; Y144-L148 HydrophobicContact CD1-CD1 3.97Å; Y144-L148 HydrophobicContact CE1-CD1 3.64Å; Y144-L148 HydrophobicContact CE1-CG 4.31Å; Y144-L148 HydrophobicContact CE2-CD1 4.47Å; Y144-L148 HydrophobicContact CE2-CG 4.27Å; Y144-L148 PolarHBondContact O-N 2.7Å; Y144-H319 AromaticContact CE1-CD2 3.98Å; Y144-H319 AromaticContact CE1-CE1 3.74Å; Y144-H319 AromaticContact CE1-NE2 3.37Å; Y144-H319 WeakPolarHBondContact CE1-NE2 3.45Å; Y144-H319 AromaticContact CZ-NE2 3.53Å; Y144-H319 PolarHBondContact OH-NE2 2.86Å |
| 145 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.5 | -45.5 | -179.9 | -87.5 | 63.1 | 0 | 0 | 0 | 112.7 | V10 L13 T40 T43 G141 W147 L148 T149 | V10-L145 HydrophobicContact CB-CD1 4.1Å; L13-L145 HydrophobicContact CD1-CB 4.18Å; L13-L145 HydrophobicContact CD1-CG 4.05Å; T40-L145 WeakPolarHBondContact OG1-CB 3.48Å; T40-L145 VanDerWaalsContact OG1-CD2 3.28Å; T40-L145 WeakPolarHBondContact OG1-CD2 3.49Å; T43-L145 HydrophobicContact CG2-CD2 4.34Å; T43-L145 WeakPolarHBondContact OG1-CD2 3.27Å; G141-L145 WeakPolarHBondContact O-CB 3.48Å; G141-L145 WeakPolarHBondContact O-CD1 3.22Å; G141-L145 PolarHBondContact O-N 2.88Å; L145-W147 VanDerWaalsContact C-N 3.32Å; L145-W147 PolarHBondContact O-N 2.89Å; L145-L148 PolarHBondContact O-N 3.39Å; L145-T149 WeakPolarHBondContact O-CB 3.32Å; L145-T149 PolarHBondContact O-N 2.93Å; L145-T149 PolarHBondContact O-OG1 2.85Å |
| 146 | P | 98.5 | Very high | 98.3 | Very high | 48 Ų | 48 | 38.9 Ų | 38.9 | 31% | 0.312 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -56 | -43.9 | 169.6 | -30.1 | 36.8 | 0 | 0 | 0 | 113.1 | T40 K142 T143 L148 T149 D150 | T40-P146 HydrophobicContact CG2-CG 3.84Å; K142-P146 WeakPolarHBondContact O-CD 3.27Å; K142-P146 WeakPolarHBondContact O-CG 3.2Å; T143-P146 WeakPolarHBondContact O-CD 3.16Å; P146-L148 PolarHBondContact O-N 2.81Å; P146-T149 PolarHBondContact O-N 2.79Å; P146-D150 PolarHBondContact O-N 3.02Å |
| 147 | W | 98.6 | Very high | 98.3 | Very high | 20 Ų | 20 | 39.3 Ų | 39.3 | 8% | 0.076 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60 | -48.2 | 178 | 178.6 | 88.6 | 0 | 0 | 0 | 112.2 | W78 E83 M87 T143 Y144 L145 T149 D150 W151 | W78-W147 HydrophobicContact CH2-CH2 4.36Å; W78-W147 HydrophobicContact CH2-CZ2 4.02Å; W78-W147 HydrophobicContact CZ2-CH2 4.13Å; W78-W147 HydrophobicContact CZ2-CZ2 4.26Å; W78-W147 HydrophobicContact CZ3-CZ2 4.25Å; E83-W147 PolarHBondContact OE2-NE1 3.39Å; M87-W147 HydrophobicContact CE-CH2 4.03Å; M87-W147 HydrophobicContact CE-CZ2 4.42Å; M87-W147 HydrophobicContact CE-CZ3 4.08Å; M87-W147 HydrophobicContact CG-CD2 3.45Å; M87-W147 VanDerWaalsContact CG-CD2 3.45Å; M87-W147 VanDerWaalsContact CG-CE2 3.45Å; M87-W147 HydrophobicContact CG-CE3 3.87Å; M87-W147 HydrophobicContact CG-CG 3.78Å; M87-W147 HydrophobicContact CG-CH2 4.25Å; M87-W147 HydrophobicContact CG-CZ2 3.87Å; M87-W147 HydrophobicContact CG-CZ3 4.25Å; M87-W147 HydrophobicContact SD-CD2 4.49Å; M87-W147 HydrophobicContact SD-CH2 4.09Å; M87-W147 HydrophobicContact SD-CZ2 3.87Å; M87-W147 HydrophobicContact SD-CZ3 4.49Å; T143-W147 PolarHBondContact O-N 2.8Å; Y144-W147 HydrophobicContact CD2-CE3 4.16Å; Y144-W147 AromaticContact CE2-CE3 3.83Å; Y144-W147 HydrophobicContact CE2-CE3 3.83Å; Y144-W147 AromaticContact CE2-CZ3 3.95Å; Y144-W147 HydrophobicContact CE2-CZ3 3.95Å; Y144-W147 PolarHBondContact O-N 2.92Å; L145-W147 VanDerWaalsContact C-N 3.32Å; L145-W147 PolarHBondContact O-N 2.89Å; W147-T149 VanDerWaalsContact C-N 3.33Å; W147-T149 PolarHBondContact O-N 3.45Å; W147-D150 PolarHBondContact O-N 3.05Å; W147-W151 AromaticContact CH2-CD1 3.99Å; W147-W151 AromaticContact CZ2-CD1 3.91Å; W147-W151 VanDerWaalsContact O-CB 3.29Å; W147-W151 WeakPolarHBondContact O-CB 3.27Å; W147-W151 PolarHBondContact O-N 2.86Å |
| 148 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.4 | -44.1 | 175.6 | -82.7 | 174.2 | 0 | 0 | 0 | 111.7 | L13 Q17 Y144 L145 P146 W151 L152 | L13-L148 HydrophobicContact CB-CB 3.98Å; L13-L148 HydrophobicContact CB-CD1 3.83Å; L13-L148 HydrophobicContact CB-CG 4.46Å; L13-L148 HydrophobicContact CD1-CB 4.03Å; Q17-L148 HydrophobicContact CB-CD2 4.41Å; Q17-L148 VanDerWaalsContact OE1-CD2 3.31Å; Y144-L148 HydrophobicContact CD1-CD1 3.97Å; Y144-L148 HydrophobicContact CE1-CD1 3.64Å; Y144-L148 HydrophobicContact CE1-CG 4.31Å; Y144-L148 HydrophobicContact CE2-CD1 4.47Å; Y144-L148 HydrophobicContact CE2-CG 4.27Å; Y144-L148 PolarHBondContact O-N 2.7Å; L145-L148 PolarHBondContact O-N 3.39Å; P146-L148 PolarHBondContact O-N 2.81Å; L148-W151 PolarHBondContact O-N 3.43Å; L148-L152 WeakPolarHBondContact O-CB 3.5Å; L148-L152 WeakPolarHBondContact O-CD1 3.5Å; L148-L152 VanDerWaalsContact O-CG 3.24Å; L148-L152 WeakPolarHBondContact O-CG 3.43Å; L148-L152 PolarHBondContact O-N 2.9Å |
| 149 | T | 98.8 | Very high | 98.3 | Very high | 19 Ų | 19 | 47.1 Ų | 47.1 | 12% | 0.117 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.1 | -47.3 | 178.8 | -60.2 | 0 | 0 | 0 | 0 | 111.3 | L145 P146 W147 L152 K153 F159 | L145-T149 WeakPolarHBondContact O-CB 3.32Å; L145-T149 PolarHBondContact O-N 2.93Å; L145-T149 PolarHBondContact O-OG1 2.85Å; P146-T149 PolarHBondContact O-N 2.79Å; W147-T149 VanDerWaalsContact C-N 3.33Å; W147-T149 PolarHBondContact O-N 3.45Å; T149-L152 PolarHBondContact O-N 3.14Å; T149-K153 HydrophobicContact CG2-CD 4.15Å; T149-K153 HydrophobicContact CG2-CG 4.47Å; T149-K153 WeakPolarHBondContact O-CG 3.49Å; T149-K153 PolarHBondContact O-N 3.27Å; T149-F159 HydrophobicContact CG2-CD1 4.46Å; T149-F159 HydrophobicContact CG2-CE1 4Å; T149-F159 HydrophobicContact CG2-CE2 4.35Å; T149-F159 HydrophobicContact CG2-CZ 3.94Å |
| 150 | D | 98.6 | Very high | 98.3 | Very high | 84 Ų | 84 | 50.9 Ų | 50.9 | 45% | 0.449 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.5 | -39 | 178.3 | -80.2 | -3.8 | 0 | 0 | 0 | 112.1 | P146 W147 L152 K153 K154 | P146-D150 PolarHBondContact O-N 3.02Å; W147-D150 PolarHBondContact O-N 3.05Å; D150-L152 VanDerWaalsContact C-N 3.27Å; D150-L152 PolarHBondContact O-N 3.15Å; D150-K153 PolarHBondContact O-N 3.11Å; D150-K154 WeakPolarHBondContact O-CB 3.28Å; D150-K154 VanDerWaalsContact O-CG 3.29Å; D150-K154 WeakPolarHBondContact O-CG 3.27Å; D150-K154 PolarHBondContact O-N 3.3Å |
| 151 | W | 98.5 | Very high | 98.3 | Very high | 27 Ų | 27 | 56.5 Ų | 56.5 | 10% | 0.102 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.8 | -42.4 | 174.8 | -173.3 | 107.4 | 0 | 0 | 0 | 111.3 | Q17 F20 E21 W147 L148 R155 | Q17-W151 HydrophobicContact CB-CE3 4.39Å; Q17-W151 HydrophobicContact CB-CZ3 4.19Å; Q17-W151 HydrophobicContact CG-CD2 4.3Å; Q17-W151 HydrophobicContact CG-CE3 3.89Å; Q17-W151 HydrophobicContact CG-CH2 3.83Å; Q17-W151 HydrophobicContact CG-CZ2 4.17Å; Q17-W151 HydrophobicContact CG-CZ3 3.66Å; F20-W151 HydrophobicContact CB-CZ3 4.38Å; F20-W151 AromaticContact CD1-CH2 3.84Å; F20-W151 HydrophobicContact CD1-CH2 3.84Å; F20-W151 HydrophobicContact CD1-CZ3 4.1Å; F20-W151 HydrophobicContact CG-CH2 4.5Å; F20-W151 HydrophobicContact CG-CZ3 4.37Å; E21-W151 HydrophobicContact CG-CH2 3.52Å; E21-W151 HydrophobicContact CG-CZ2 3.79Å; E21-W151 WeakPolarHBondContact OE1-CZ2 3.47Å; W147-W151 AromaticContact CH2-CD1 3.99Å; W147-W151 AromaticContact CZ2-CD1 3.91Å; W147-W151 VanDerWaalsContact O-CB 3.29Å; W147-W151 WeakPolarHBondContact O-CB 3.27Å; W147-W151 PolarHBondContact O-N 2.86Å; L148-W151 PolarHBondContact O-N 3.43Å; W151-R155 VanDerWaalsContact CZ2-NE 3.25Å; W151-R155 WeakPolarHBondContact O-CD 3.38Å; W151-R155 PolarHBondContact O-NH1 3.44Å |
| 152 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -72.7 | -45.5 | 179 | -73.7 | 167.1 | 0 | 0 | 0 | 112.3 | L13 A16 Q17 L148 T149 D150 K154 R155 G156 V157 F159 | L13-L152 HydrophobicContact CB-CD1 4.35Å; L13-L152 HydrophobicContact CD2-CD1 4.07Å; A16-L152 HydrophobicContact CB-CD1 4.04Å; A16-L152 HydrophobicContact CB-CD2 3.98Å; Q17-L152 HydrophobicContact CB-CD2 4.23Å; L148-L152 WeakPolarHBondContact O-CB 3.5Å; L148-L152 WeakPolarHBondContact O-CD1 3.5Å; L148-L152 VanDerWaalsContact O-CG 3.24Å; L148-L152 WeakPolarHBondContact O-CG 3.43Å; L148-L152 PolarHBondContact O-N 2.9Å; T149-L152 PolarHBondContact O-N 3.14Å; D150-L152 VanDerWaalsContact C-N 3.27Å; D150-L152 PolarHBondContact O-N 3.15Å; L152-K154 VanDerWaalsContact C-N 3.34Å; L152-K154 PolarHBondContact O-N 2.87Å; L152-R155 CarbonylContact O-C 3.56Å; L152-R155 WeakPolarHBondContact O-CA 3.5Å; L152-R155 WeakPolarHBondContact O-CB 3.19Å; L152-R155 PolarHBondContact O-N 3.33Å; L152-G156 PolarHBondContact O-N 2.77Å; L152-V157 HydrophobicContact CB-CB 3.96Å; L152-V157 HydrophobicContact CB-CG1 4.3Å; L152-V157 HydrophobicContact CB-CG2 4.16Å; L152-V157 HydrophobicContact CD2-CB 4.43Å; L152-V157 HydrophobicContact CD2-CG2 3.85Å; L152-V157 WeakPolarHBondContact O-CB 3.48Å; L152-V157 PolarHBondContact O-N 2.98Å; L152-F159 HydrophobicContact CB-CE2 3.98Å; L152-F159 HydrophobicContact CB-CZ 3.77Å; L152-F159 HydrophobicContact CD1-CZ 3.9Å; L152-F159 HydrophobicContact CG-CZ 4.5Å |
| 153 | K | 98.7 | Very high | 98.5 | Very high | 115 Ų | 115 | 60.5 Ų | 60.5 | 50% | 0.5 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59 | -43.3 | 178 | -77 | 178.5 | 178.7 | 173.4 | 0 | 112.1 | T149 D150 R155 G156 F159 | T149-K153 HydrophobicContact CG2-CD 4.15Å; T149-K153 HydrophobicContact CG2-CG 4.47Å; T149-K153 WeakPolarHBondContact O-CG 3.49Å; T149-K153 PolarHBondContact O-N 3.27Å; D150-K153 PolarHBondContact O-N 3.11Å; K153-R155 PolarHBondContact O-N 2.78Å; K153-G156 PolarHBondContact O-N 2.94Å; K153-F159 HydrophobicContact CD-CD2 4.48Å; K153-F159 HydrophobicContact CG-CD2 3.7Å; K153-F159 HydrophobicContact CG-CE2 3.55Å |
| 154 | K | 98.5 | Very high | 98.6 | Very high | 172 Ų | 172 | 58.9 Ų | 58.9 | 75% | 0.748 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -16.9 | 175.5 | -74.4 | 173.6 | -176.8 | 174 | 0 | 113.4 | D150 L152 | D150-K154 WeakPolarHBondContact O-CB 3.28Å; D150-K154 VanDerWaalsContact O-CG 3.29Å; D150-K154 WeakPolarHBondContact O-CG 3.27Å; D150-K154 PolarHBondContact O-N 3.3Å; L152-K154 VanDerWaalsContact C-N 3.34Å; L152-K154 PolarHBondContact O-N 2.87Å |
| 155 | R | 98.3 | Very high | 98.5 | Very high | 103 Ų | 103 | 64.3 Ų | 64.3 | 39% | 0.389 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | 16.2 | 179.8 | -75.7 | 169.2 | 177.6 | 84.5 | -2.6 | 113 | F20 W151 L152 K153 V157 | F20-R155 HydrophobicContact CD1-CB 4.46Å; F20-R155 HydrophobicContact CD2-CB 4.33Å; F20-R155 HydrophobicContact CE1-CB 3.93Å; F20-R155 VanDerWaalsContact CE1-CD 3.48Å; F20-R155 HydrophobicContact CE1-CG 3.84Å; F20-R155 HydrophobicContact CE2-CB 3.77Å; F20-R155 WeakPolarHBondContact CE2-O 3.19Å; F20-R155 HydrophobicContact CZ-CB 3.56Å; F20-R155 HydrophobicContact CZ-CG 3.86Å; W151-R155 VanDerWaalsContact CZ2-NE 3.25Å; W151-R155 WeakPolarHBondContact O-CD 3.38Å; W151-R155 PolarHBondContact O-NH1 3.44Å; L152-R155 CarbonylContact O-C 3.56Å; L152-R155 WeakPolarHBondContact O-CA 3.5Å; L152-R155 WeakPolarHBondContact O-CB 3.19Å; L152-R155 PolarHBondContact O-N 3.33Å; K153-R155 PolarHBondContact O-N 2.78Å; R155-V157 VanDerWaalsContact C-N 3.31Å; R155-V157 PolarHBondContact O-N 2.92Å |
| 156 | G | 98.1 | Very high | 98.5 | Very high | 58 Ų | 58 | 66.5 Ų | 66.5 | 60% | 0.598 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.7 | 8.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115 | L152 K153 K158 | L152-G156 PolarHBondContact O-N 2.77Å; K153-G156 PolarHBondContact O-N 2.94Å; G156-K158 PolarHBondContact O-N 3.01Å |
| 157 | V | 98.8 | Very high | 98.4 | Very high | 9 Ų | 9 | 64.8 Ų | 64.8 | 6% | 0.055 | 31% | 0.309 | C | S | . | . | trans | -69 | 129 | 171.8 | 179.5 | 0 | 0 | 0 | 0 | 109.1 | F20 I32 V34 L152 R155 F159 | F20-V157 HydrophobicContact CD2-CG2 4.32Å; I32-V157 HydrophobicContact CB-CG1 4.26Å; I32-V157 HydrophobicContact CB-CG2 4.15Å; I32-V157 HydrophobicContact CG2-CG1 4.04Å; V34-V157 HydrophobicContact CG2-CG1 3.94Å; L152-V157 HydrophobicContact CB-CB 3.96Å; L152-V157 HydrophobicContact CB-CG1 4.3Å; L152-V157 HydrophobicContact CB-CG2 4.16Å; L152-V157 HydrophobicContact CD2-CB 4.43Å; L152-V157 HydrophobicContact CD2-CG2 3.85Å; L152-V157 WeakPolarHBondContact O-CB 3.48Å; L152-V157 PolarHBondContact O-N 2.98Å; R155-V157 VanDerWaalsContact C-N 3.31Å; R155-V157 PolarHBondContact O-N 2.92Å; V157-F159 HydrophobicContact CB-CE2 4.26Å; V157-F159 HydrophobicContact CG1-CE2 3.97Å; V157-F159 HydrophobicContact CG1-CZ 4.3Å; V157-F159 WeakPolarHBondContact O-CD2 3.44Å | ||
| 158 | K | 98.5 | Very high | 98.3 | Very high | 120 Ų | 120 | 67.5 Ų | 67.5 | 52% | 0.522 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 148.3 | -179.7 | -61.1 | -176.9 | -178.6 | 178.8 | 0 | 110.7 | I32 E33 V34 G156 Y160 | I32-K158 PolarHBondContact O-N 3.05Å; E33-K158 CarbonylContact C-O 3.57Å; E33-K158 WeakPolarHBondContact CA-O 3.37Å; E33-K158 HydrophobicContact CG-CB 4.37Å; V34-K158 PolarHBondContact N-O 3.06Å; G156-K158 PolarHBondContact O-N 3.01Å; K158-Y160 HydrophobicContact CB-CE2 3.77Å; K158-Y160 WeakPolarHBondContact CD-OH 3.5Å |
| 159 | F | 98.9 | Very high | 98.2 | Very high | 44 Ų | 44 | 69.6 Ų | 69.6 | 19% | 0.193 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 134.1 | -178.4 | -70.8 | -99 | 0 | 0 | 0 | 109.5 | L13 V34 F39 T149 L152 K153 V157 | L13-F159 HydrophobicContact CD2-CE1 3.71Å; L13-F159 HydrophobicContact CD2-CZ 4.31Å; V34-F159 HydrophobicContact CB-CD1 3.65Å; V34-F159 HydrophobicContact CB-CE1 3.77Å; V34-F159 HydrophobicContact CB-CG 4.34Å; V34-F159 HydrophobicContact CG1-CD1 3.94Å; V34-F159 HydrophobicContact CG1-CE1 3.97Å; V34-F159 HydrophobicContact CG2-CD1 4.21Å; V34-F159 HydrophobicContact CG2-CE1 3.84Å; V34-F159 HydrophobicContact CG2-CZ 4.18Å; V34-F159 CarbonylContact O-C 3.53Å; V34-F159 WeakPolarHBondContact O-CA 3.49Å; F39-F159 AromaticContact CE1-CD1 3.84Å; F39-F159 HydrophobicContact CE1-CD1 3.84Å; T149-F159 HydrophobicContact CG2-CD1 4.46Å; T149-F159 HydrophobicContact CG2-CE1 4Å; T149-F159 HydrophobicContact CG2-CE2 4.35Å; T149-F159 HydrophobicContact CG2-CZ 3.94Å; L152-F159 HydrophobicContact CB-CE2 3.98Å; L152-F159 HydrophobicContact CB-CZ 3.77Å; L152-F159 HydrophobicContact CD1-CZ 3.9Å; L152-F159 HydrophobicContact CG-CZ 4.5Å; K153-F159 HydrophobicContact CD-CD2 4.48Å; K153-F159 HydrophobicContact CG-CD2 3.7Å; K153-F159 HydrophobicContact CG-CE2 3.55Å; V157-F159 HydrophobicContact CB-CE2 4.26Å; V157-F159 HydrophobicContact CG1-CE2 3.97Å; V157-F159 HydrophobicContact CG1-CZ 4.3Å; V157-F159 WeakPolarHBondContact O-CD2 3.44Å |
| 160 | Y | 98.7 | Very high | 98.1 | Very high | 79 Ų | 79 | 68.8 Ų | 68.8 | 31% | 0.31 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 124.8 | -178.6 | -58.1 | -82.9 | 0 | 0 | 0 | 110.1 | E33 V34 Y35 A36 K158 K162 | E33-Y160 HydrophobicContact CB-CD2 4.29Å; E33-Y160 HydrophobicContact CB-CE2 3.86Å; E33-Y160 HydrophobicContact CG-CE2 3.88Å; E33-Y160 WeakPolarHBondContact OE1-CE2 3.24Å; E33-Y160 PolarHBondContact OE1-OH 2.98Å; V34-Y160 PolarHBondContact O-N 3.31Å; Y35-Y160 AromaticContact CD1-CD2 3.99Å; Y35-Y160 HydrophobicContact CD1-CD2 3.99Å; Y35-Y160 HydrophobicContact CD1-CG 4.12Å; Y35-Y160 AromaticContact CE1-CD2 3.53Å; Y35-Y160 HydrophobicContact CE1-CD2 3.53Å; Y35-Y160 HydrophobicContact CE1-CE2 4.22Å; Y35-Y160 AromaticContact CE1-CG 3.79Å; Y35-Y160 HydrophobicContact CE1-CG 3.79Å; Y35-Y160 HydrophobicContact CE2-CD2 4.23Å; Y35-Y160 AromaticContact CZ-CD2 3.66Å; Y35-Y160 AromaticContact CZ-CE2 3.98Å; A36-Y160 PolarHBondContact N-O 3.37Å; A36-Y160 VanDerWaalsContact N-O 3.13Å; K158-Y160 HydrophobicContact CB-CE2 3.77Å; K158-Y160 WeakPolarHBondContact CD-OH 3.5Å; Y160-K162 PolarHBondContact O-N 2.78Å; Y160-K162 VanDerWaalsContact O-N 3.12Å |
| 161 | H | 98.5 | Very high | 98 | Very high | 151 Ų | 151 | 65.8 Ų | 65.8 | 70% | 0.699 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 91.8 | 168.7 | -167.7 | -176.3 | 0 | 0 | 0 | 109.2 | A36 D37 F39 | A36-H161 CarbonylContact O-C 3.49Å; A36-H161 WeakPolarHBondContact O-CA 3.35Å; A36-H161 PolarHBondContact O-CD2 2.88Å; D37-H161 PolarHBondContact O-CD2 2.7Å; D37-H161 PolarHBondContact O-NE2 2.92Å; F39-H161 HydrophobicContact CE2-CB 4.13Å |
| 162 | K | 98.3 | Very high | 97.9 | Very high | 93 Ų | 93 | 69 Ų | 69 | 40% | 0.404 | 33% | 0.331 | S | S | . | . | trans | -151.3 | 130 | -174.1 | -170.7 | -176.1 | -176.4 | -154.1 | 0 | 110.1 | Y35 A36 Y160 I164 E169 | Y35-K162 HydrophobicContact CD1-CB 4.22Å; Y35-K162 HydrophobicContact CD1-CD 4.18Å; Y35-K162 HydrophobicContact CE1-CD 4.41Å; A36-K162 CarbonylContact C-O 3.45Å; A36-K162 VanDerWaalsContact C-O 3.26Å; A36-K162 PolarHBondContact O-N 2.89Å; Y160-K162 PolarHBondContact O-N 2.78Å; Y160-K162 VanDerWaalsContact O-N 3.12Å; K162-I164 HydrophobicContact CD-CD1 3.97Å; K162-I164 HydrophobicContact CG-CD1 4.28Å; K162-E169 WeakPolarHBondContact CE-OE1 3.44Å; K162-E169 IonicContact NZ-OE1 2.69Å; K162-E169 PolarHBondContact NZ-OE1 3.43Å | ||
| 163 | K | 98.4 | Very high | 97.7 | Very high | 82 Ų | 82 | 71.6 Ų | 71.6 | 36% | 0.357 | 35% | 0.352 | S | S | . | . | trans | -78.6 | 122.3 | 165.2 | -172.1 | 175.3 | 172 | -128 | 0 | 108.7 | D37 E165 | D37-K163 HydrophobicContact CB-CB 3.97Å; D37-K163 HydrophobicContact CB-CG 4.42Å; K163-E165 VanDerWaalsContact CD-OE1 3.28Å; K163-E165 WeakPolarHBondContact CD-OE1 3.26Å; K163-E165 WeakPolarHBondContact CE-OE1 3.49Å; K163-E165 VanDerWaalsContact NZ-CD 3.26Å; K163-E165 IonicContact NZ-OE1 3.9Å; K163-E165 PolarHBondContact NZ-OE1 2.87Å; K163-E165 IonicContact NZ-OE2 2.64Å; K163-E165 PolarHBondContact NZ-OE2 2.89Å | ||
| 164 | I | 98.5 | Very high | 97.6 | Very high | 12 Ų | 12 | 67.9 Ų | 67.9 | 6% | 0.062 | 35% | 0.346 | C | S | . | . | trans | -87 | 126.4 | 173.7 | -56.1 | -56.4 | 0 | 0 | 0 | 107.1 | I6 Y35 K162 S166 E169 L170 L189 | I6-I164 HydrophobicContact CD1-CB 4.33Å; I6-I164 HydrophobicContact CD1-CG1 4.36Å; I6-I164 HydrophobicContact CD1-CG2 3.97Å; I6-I164 HydrophobicContact CG1-CG1 4.34Å; I6-I164 HydrophobicContact CG2-CB 4.19Å; I6-I164 HydrophobicContact CG2-CG1 3.89Å; Y35-I164 HydrophobicContact CD1-CD1 3.93Å; Y35-I164 HydrophobicContact CG-CD1 4Å; Y35-I164 HydrophobicContact CG-CG1 4.5Å; K162-I164 HydrophobicContact CD-CD1 3.97Å; K162-I164 HydrophobicContact CG-CD1 4.28Å; I164-S166 VanDerWaalsContact CG2-O 3.31Å; I164-S166 WeakPolarHBondContact CG2-O 3.39Å; I164-E169 WeakPolarHBondContact CD1-OE1 3.22Å; I164-E169 HydrophobicContact CG2-CG 4.12Å; I164-L170 HydrophobicContact CD1-CD1 4.31Å; I164-L170 HydrophobicContact CD1-CD2 3.91Å; I164-L170 HydrophobicContact CD1-CG 4.23Å; I164-L170 HydrophobicContact CG1-CD1 4.32Å; I164-L170 HydrophobicContact CG2-CD1 4.01Å; I164-L170 HydrophobicContact CG2-CG 4.24Å; I164-L189 HydrophobicContact CG2-CD2 4.21Å; I164-L189 WeakPolarHBondContact O-CD2 3.16Å | ||
| 165 | E | 97.8 | Very high | 97.5 | Very high | 115 Ų | 115 | 60.2 Ų | 60.2 | 54% | 0.537 | 31% | 0.314 | S | S | . | . | trans | -99.2 | -17.7 | -177.5 | -60.4 | -68.7 | 170.8 | 0 | 0 | 111.8 | K163 E169 | K163-E165 VanDerWaalsContact CD-OE1 3.28Å; K163-E165 WeakPolarHBondContact CD-OE1 3.26Å; K163-E165 WeakPolarHBondContact CE-OE1 3.49Å; K163-E165 VanDerWaalsContact NZ-CD 3.26Å; K163-E165 IonicContact NZ-OE1 3.9Å; K163-E165 PolarHBondContact NZ-OE1 2.87Å; K163-E165 IonicContact NZ-OE2 2.64Å; K163-E165 PolarHBondContact NZ-OE2 2.89Å; E165-E169 PolarHBondContact N-OE2 3.09Å | ||
| 166 | S | 97.4 | Very high | 97.4 | Very high | 46 Ų | 46 | 58 Ų | 58 | 32% | 0.322 | 31% | 0.31 | S | S | . | . | trans | -158.5 | 156.7 | 172.7 | 67.4 | 0 | 0 | 0 | 0 | 112.3 | I164 K168 E169 | I164-S166 VanDerWaalsContact CG2-O 3.31Å; I164-S166 WeakPolarHBondContact CG2-O 3.39Å; S166-K168 PolarHBondContact O-N 2.89Å; S166-E169 WeakPolarHBondContact O-CG 3.18Å; S166-E169 PolarHBondContact O-N 3.13Å; S166-E169 PolarHBondContact OG-N 3.05Å | ||
| 167 | F | 97.8 | Very high | 97.5 | Very high | 11 Ų | 11 | 55.3 Ų | 55.3 | 5% | 0.048 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.3 | -28.3 | 169.5 | -60.6 | -48.8 | 0 | 0 | 0 | 112.7 | I6 E169 L170 S171 I178 N180 L189 Q190 I296 I303 V305 | I6-F167 HydrophobicContact CD1-CD1 4Å; I6-F167 HydrophobicContact CD1-CE1 3.92Å; F167-E169 VanDerWaalsContact C-N 3.32Å; F167-E169 PolarHBondContact O-N 2.78Å; F167-L170 PolarHBondContact O-N 3.14Å; F167-S171 PolarHBondContact O-N 3.3Å; F167-S171 VanDerWaalsContact O-N 3.14Å; F167-I178 HydrophobicContact CB-CD1 3.79Å; F167-I178 HydrophobicContact CD1-CD1 4.12Å; F167-I178 HydrophobicContact CD1-CG2 3.9Å; F167-I178 HydrophobicContact CE1-CG2 4.18Å; F167-I178 HydrophobicContact CG-CD1 4.34Å; F167-I178 WeakPolarHBondContact O-CD1 3.31Å; F167-N180 HydrophobicContact CE1-CB 3.97Å; F167-N180 HydrophobicContact CZ-CB 4.09Å; F167-N180 WeakPolarHBondContact CZ-ND2 3.14Å; F167-L189 HydrophobicContact CD1-CD1 4.41Å; F167-L189 HydrophobicContact CE1-CB 4.13Å; F167-L189 HydrophobicContact CE1-CD1 3.69Å; F167-L189 HydrophobicContact CE1-CG 4.46Å; F167-L189 HydrophobicContact CE2-CB 4.2Å; F167-L189 HydrophobicContact CZ-CB 3.77Å; F167-L189 HydrophobicContact CZ-CD1 4.1Å; F167-Q190 HydrophobicContact CE2-CB 4.14Å; F167-I296 HydrophobicContact CD2-CD1 3.77Å; F167-I296 HydrophobicContact CE2-CD1 4.18Å; F167-I303 HydrophobicContact CB-CD1 4.37Å; F167-I303 HydrophobicContact CB-CG2 4.26Å; F167-V305 HydrophobicContact CD1-CG2 4.5Å; F167-V305 HydrophobicContact CD2-CG2 4.24Å; F167-V305 HydrophobicContact CE1-CG1 4.28Å; F167-V305 HydrophobicContact CG-CG2 4.2Å; F167-V305 HydrophobicContact CZ-CG1 4.23Å |
| 168 | K | 96.1 | Very high | 97.5 | Very high | 77 Ų | 77 | 55 Ų | 55 | 34% | 0.335 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.7 | -38.9 | -179.3 | -166.5 | -171.3 | -176.4 | -51.2 | 0 | 111.9 | S166 L170 S171 D172 I303 | S166-K168 PolarHBondContact O-N 2.89Å; K168-L170 PolarHBondContact O-N 3.35Å; K168-S171 WeakPolarHBondContact O-CB 3.38Å; K168-S171 PolarHBondContact O-N 2.72Å; K168-D172 IonicContact NZ-OD1 2.8Å; K168-D172 PolarHBondContact NZ-OD1 2.86Å; K168-D172 IonicContact NZ-OD2 2.89Å; K168-D172 PolarHBondContact NZ-OD2 3.24Å; K168-D172 WeakPolarHBondContact O-CB 3.31Å; K168-D172 VanDerWaalsContact O-CG 3.23Å; K168-D172 PolarHBondContact O-N 2.94Å; K168-I303 HydrophobicContact CB-CD1 4.32Å |
| 169 | E | 96.6 | Very high | 97.5 | Very high | 45 Ų | 45 | 49.2 Ų | 49.2 | 21% | 0.21 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.3 | -36.2 | -179.3 | 87.7 | 179.8 | -133.5 | 0 | 0 | 112.4 | K162 I164 E165 S166 F167 A173 | K162-E169 WeakPolarHBondContact CE-OE1 3.44Å; K162-E169 IonicContact NZ-OE1 2.69Å; K162-E169 PolarHBondContact NZ-OE1 3.43Å; I164-E169 WeakPolarHBondContact CD1-OE1 3.22Å; I164-E169 HydrophobicContact CG2-CG 4.12Å; E165-E169 PolarHBondContact N-OE2 3.09Å; S166-E169 WeakPolarHBondContact O-CG 3.18Å; S166-E169 PolarHBondContact O-N 3.13Å; S166-E169 PolarHBondContact OG-N 3.05Å; F167-E169 VanDerWaalsContact C-N 3.32Å; F167-E169 PolarHBondContact O-N 2.78Å; E169-A173 WeakPolarHBondContact O-CB 3.48Å; E169-A173 PolarHBondContact O-N 2.89Å; E169-A173 VanDerWaalsContact O-N 3.11Å |
| 170 | L | 97.3 | Very high | 97.5 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -76.2 | -40.4 | 178.7 | -70 | 175.7 | 0 | 0 | 0 | 110.5 | A4 I6 Y35 I164 F167 K168 A173 G174 V175 I178 | A4-L170 HydrophobicContact CB-CD1 3.93Å; A4-L170 HydrophobicContact CB-CD2 4.31Å; I6-L170 HydrophobicContact CD1-CD1 3.69Å; I6-L170 HydrophobicContact CG1-CD1 3.87Å; Y35-L170 HydrophobicContact CD2-CD2 4.27Å; Y35-L170 HydrophobicContact CE1-CD2 4.44Å; Y35-L170 HydrophobicContact CE2-CD2 4.04Å; I164-L170 HydrophobicContact CD1-CD1 4.31Å; I164-L170 HydrophobicContact CD1-CD2 3.91Å; I164-L170 HydrophobicContact CD1-CG 4.23Å; I164-L170 HydrophobicContact CG1-CD1 4.32Å; I164-L170 HydrophobicContact CG2-CD1 4.01Å; I164-L170 HydrophobicContact CG2-CG 4.24Å; F167-L170 PolarHBondContact O-N 3.14Å; K168-L170 PolarHBondContact O-N 3.35Å; L170-A173 CarbonylContact O-C 3.59Å; L170-A173 PolarHBondContact O-N 2.97Å; L170-G174 PolarHBondContact O-N 3.41Å; L170-V175 HydrophobicContact CB-CB 4.21Å; L170-V175 HydrophobicContact CB-CG2 4.02Å; L170-V175 HydrophobicContact CD2-CG2 4.4Å; L170-V175 WeakPolarHBondContact O-CB 3.36Å; L170-V175 VanDerWaalsContact O-CG2 3.27Å; L170-V175 WeakPolarHBondContact O-CG2 3.45Å; L170-V175 PolarHBondContact O-N 3.29Å; L170-I178 HydrophobicContact CB-CD1 3.84Å; L170-I178 HydrophobicContact CB-CG1 4.22Å; L170-I178 HydrophobicContact CD1-CD1 4.19Å; L170-I178 HydrophobicContact CD1-CG1 4.24Å; L170-I178 HydrophobicContact CD1-CG2 4.3Å |
| 171 | S | 95.8 | Very high | 97.5 | Very high | 21 Ų | 21 | 43.9 Ų | 43.9 | 15% | 0.147 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59 | -47 | 172.9 | -175.3 | 0 | 0 | 0 | 0 | 111.6 | F167 K168 A173 G174 | F167-S171 PolarHBondContact O-N 3.3Å; F167-S171 VanDerWaalsContact O-N 3.14Å; K168-S171 WeakPolarHBondContact O-CB 3.38Å; K168-S171 PolarHBondContact O-N 2.72Å; S171-A173 PolarHBondContact O-N 3.02Å; S171-G174 WeakPolarHBondContact O-CA 3.47Å; S171-G174 PolarHBondContact O-N 3.12Å |
| 172 | D | 95.4 | Very high | 97.5 | Very high | 95 Ų | 95 | 38.1 Ų | 38.1 | 51% | 0.508 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.4 | -32.4 | 177.7 | -68.6 | -12.8 | 0 | 0 | 0 | 111.4 | K168 G174 | K168-D172 IonicContact NZ-OD1 2.8Å; K168-D172 PolarHBondContact NZ-OD1 2.86Å; K168-D172 IonicContact NZ-OD2 2.89Å; K168-D172 PolarHBondContact NZ-OD2 3.24Å; K168-D172 WeakPolarHBondContact O-CB 3.31Å; K168-D172 VanDerWaalsContact O-CG 3.23Å; K168-D172 PolarHBondContact O-N 2.94Å; D172-G174 PolarHBondContact O-N 3.17Å |
| 173 | A | 96 | Very high | 97.5 | Very high | 53 Ų | 53 | 34.7 Ų | 34.7 | 44% | 0.438 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | 2.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R2 E169 L170 S171 | R2-A173 VanDerWaalsContact CZ-O 3.24Å; R2-A173 PolarHBondContact NH1-O 2.84Å; R2-A173 PolarHBondContact NH2-O 2.71Å; E169-A173 WeakPolarHBondContact O-CB 3.48Å; E169-A173 PolarHBondContact O-N 2.89Å; E169-A173 VanDerWaalsContact O-N 3.11Å; L170-A173 CarbonylContact O-C 3.59Å; L170-A173 PolarHBondContact O-N 2.97Å; S171-A173 PolarHBondContact O-N 3.02Å |
| 174 | G | 95.4 | Very high | 97.6 | Very high | 37 Ų | 37 | 31.5 Ų | 31.5 | 38% | 0.381 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | 26.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | R2 L170 S171 D172 | R2-G174 WeakPolarHBondContact CD-O 3.47Å; R2-G174 PolarHBondContact NH1-O 2.86Å; L170-G174 PolarHBondContact O-N 3.41Å; S171-G174 WeakPolarHBondContact O-CA 3.47Å; S171-G174 PolarHBondContact O-N 3.12Å; D172-G174 PolarHBondContact O-N 3.17Å |
| 175 | V | 97.3 | Very high | 97.5 | Very high | 12 Ų | 12 | 34.2 Ų | 34.2 | 7% | 0.073 | 20% | 0.197 | C | C | . | . | trans | -74.6 | 131.1 | 171.5 | 172.7 | 0 | 0 | 0 | 0 | 110 | A4 L170 V177 I178 | A4-V175 HydrophobicContact CB-CB 4.41Å; A4-V175 HydrophobicContact CB-CG1 3.66Å; A4-V175 HydrophobicContact CB-CG2 3.87Å; L170-V175 HydrophobicContact CB-CB 4.21Å; L170-V175 HydrophobicContact CB-CG2 4.02Å; L170-V175 HydrophobicContact CD2-CG2 4.4Å; L170-V175 WeakPolarHBondContact O-CB 3.36Å; L170-V175 VanDerWaalsContact O-CG2 3.27Å; L170-V175 WeakPolarHBondContact O-CG2 3.45Å; L170-V175 PolarHBondContact O-N 3.29Å; V175-V177 WeakPolarHBondContact CG1-O 3.45Å; V175-I178 HydrophobicContact CG1-CG1 3.83Å | ||
| 176 | D | 96.9 | Very high | 97.6 | Very high | 57 Ų | 57 | 28.8 Ų | 28.8 | 31% | 0.305 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -82.9 | -34.2 | -178.9 | -75.4 | -68.1 | 0 | 0 | 0 | 113.7 | M1 R2 K337 | M1-D176 WeakPolarHBondContact CA-OD2 3.38Å; M1-D176 HydrophobicContact CE-CB 4.2Å; R2-D176 PolarHBondContact N-OD2 3.21Å; R2-D176 WeakPolarHBondContact O-CB 3.32Å; R2-D176 PolarHBondContact O-N 3.13Å; D176-K337 PolarHBondContact O-NZ 3.01Å; D176-K337 IonicContact OD1-NZ 3.11Å |
| 177 | V | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 130.7 | -178.2 | -174.6 | 0 | 0 | 0 | 0 | 109.2 | M1 R2 V3 A4 V175 I179 E304 I306 F330 I333 | M1-V177 HydrophobicContact CE-CG2 3.72Å; R2-V177 PolarHBondContact O-N 3.12Å; V3-V177 WeakPolarHBondContact CA-O 3.45Å; A4-V177 PolarHBondContact N-O 3.03Å; V175-V177 WeakPolarHBondContact CG1-O 3.45Å; V177-I179 HydrophobicContact CG1-CD1 3.9Å; V177-E304 WeakPolarHBondContact CA-O 3.42Å; V177-E304 HydrophobicContact CG2-CB 4.43Å; V177-I306 HydrophobicContact CG1-CD1 4.24Å; V177-F330 HydrophobicContact CB-CD2 4.32Å; V177-F330 HydrophobicContact CB-CE2 4.25Å; V177-F330 HydrophobicContact CG1-CD2 4.17Å; V177-F330 HydrophobicContact CG2-CD2 4.17Å; V177-F330 HydrophobicContact CG2-CE2 3.96Å; V177-I333 HydrophobicContact CG1-CD1 3.76Å; V177-I333 HydrophobicContact CG2-CD1 4Å; V177-I333 HydrophobicContact CG2-CG2 3.89Å |
| 178 | I | 98.9 | Very high | 97.5 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 129.9 | 175 | -60.1 | 169.3 | 0 | 0 | 0 | 108.7 | A4 I6 F167 L170 V175 I303 E304 V305 I306 | A4-I178 CarbonylContact O-C 3.57Å; A4-I178 WeakPolarHBondContact O-CA 3.36Å; I6-I178 HydrophobicContact CD1-CG2 3.63Å; I6-I178 HydrophobicContact CG1-CG2 3.99Å; F167-I178 HydrophobicContact CB-CD1 3.79Å; F167-I178 HydrophobicContact CD1-CD1 4.12Å; F167-I178 HydrophobicContact CD1-CG2 3.9Å; F167-I178 HydrophobicContact CE1-CG2 4.18Å; F167-I178 HydrophobicContact CG-CD1 4.34Å; F167-I178 WeakPolarHBondContact O-CD1 3.31Å; L170-I178 HydrophobicContact CB-CD1 3.84Å; L170-I178 HydrophobicContact CB-CG1 4.22Å; L170-I178 HydrophobicContact CD1-CD1 4.19Å; L170-I178 HydrophobicContact CD1-CG1 4.24Å; L170-I178 HydrophobicContact CD1-CG2 4.3Å; V175-I178 HydrophobicContact CG1-CG1 3.83Å; I178-I303 HydrophobicContact CD1-CG2 3.66Å; I178-E304 PolarHBondContact N-O 3.01Å; I178-V305 HydrophobicContact CB-CG2 4.34Å; I178-V305 HydrophobicContact CG2-CG1 4.5Å; I178-V305 CarbonylContact O-C 3.54Å; I178-V305 VanDerWaalsContact O-CA 3.27Å; I178-V305 WeakPolarHBondContact O-CA 3.38Å; I178-I306 PolarHBondContact O-N 3.47Å |
| 179 | I | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 109.1 | 170.6 | -44.7 | -59.1 | 0 | 0 | 0 | 107.4 | V3 A4 V5 I6 A15 I19 V177 C181 I306 T326 | V3-I179 HydrophobicContact CG1-CD1 4.32Å; V3-I179 HydrophobicContact CG1-CG1 3.78Å; A4-I179 PolarHBondContact O-N 2.89Å; V5-I179 WeakPolarHBondContact CA-O 3.37Å; V5-I179 HydrophobicContact CB-CB 4.37Å; V5-I179 HydrophobicContact CG1-CB 4.28Å; V5-I179 HydrophobicContact CG2-CB 4.02Å; V5-I179 HydrophobicContact CG2-CG1 4Å; I6-I179 PolarHBondContact N-O 2.68Å; A15-I179 HydrophobicContact CB-CG2 4.23Å; I19-I179 HydrophobicContact CD1-CD1 3.86Å; I19-I179 HydrophobicContact CD1-CG1 3.8Å; V177-I179 HydrophobicContact CG1-CD1 3.9Å; I179-C181 PolarHBondContact O-N 3.42Å; I179-I306 CarbonylContact C-O 3.34Å; I179-I306 WeakPolarHBondContact CA-O 3.3Å; I179-I306 HydrophobicContact CD1-CB 3.88Å; I179-I306 HydrophobicContact CD1-CD1 3.79Å; I179-I306 HydrophobicContact CD1-CG1 4.22Å; I179-T326 HydrophobicContact CD1-CG2 4.19Å; I179-T326 HydrophobicContact CG2-CG2 3.69Å |
| 180 | N | 98.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 101.1 | -178.4 | 176.7 | 15.4 | 0 | 0 | 0 | 110.8 | F167 T182 V305 I306 H307 N308 | F167-N180 HydrophobicContact CE1-CB 3.97Å; F167-N180 HydrophobicContact CZ-CB 4.09Å; F167-N180 WeakPolarHBondContact CZ-ND2 3.14Å; N180-T182 WeakPolarHBondContact OD1-CG2 3.29Å; N180-T182 PolarHBondContact OD1-N 2.83Å; N180-T182 PolarHBondContact OD1-OG1 2.77Å; N180-V305 HydrophobicContact CB-CG1 4.03Å; N180-I306 PolarHBondContact N-O 2.8Å; N180-H307 PolarHBondContact ND2-ND1 2.88Å; N180-H307 VanDerWaalsContact ND2-ND1 3.15Å; N180-N308 CarbonylContact O-C 3.11Å; N180-N308 PolarHBondContact O-N 2.96Å |
| 181 | C | 98.9 | Very high | 97.7 | Very high | 10 Ų | 10 | 35.5 Ų | 35.5 | 7% | 0.068 | 22% | 0.219 | C | C | . | . | trans | -117.4 | 35.9 | 178.1 | -61.6 | 0 | 0 | 0 | 0 | 112.4 | I6 I11 I179 G183 N308 | I6-C181 CarbonylContact O-C 3.57Å; I6-C181 WeakPolarHBondContact O-CA 3.35Å; I6-C181 VanDerWaalsContact O-CB 3.31Å; I6-C181 WeakPolarHBondContact O-CB 3.37Å; I6-C181 PolarHBondContact O-N 3.2Å; I11-C181 HydrophobicContact CB-CB 4.47Å; I11-C181 HydrophobicContact CG2-CB 4.15Å; I179-C181 PolarHBondContact O-N 3.42Å; C181-G183 PolarHBondContact O-N 2.92Å; C181-N308 WeakPolarHBondContact CA-O 3.39Å | ||
| 182 | T | 98.8 | Very high | 97.8 | Very high | 30 Ų | 30 | 35.5 Ų | 35.5 | 18% | 0.184 | 22% | 0.217 | C | C | . | . | trans | -80 | 9.2 | -172.6 | 50.8 | 0 | 0 | 0 | 0 | 115.2 | I6 N180 I184 R185 S186 L189 | I6-T182 HydrophobicContact CB-CG2 3.85Å; I6-T182 HydrophobicContact CG2-CG2 3.34Å; I6-T182 PolarHBondContact O-N 3.03Å; N180-T182 WeakPolarHBondContact OD1-CG2 3.29Å; N180-T182 PolarHBondContact OD1-N 2.83Å; N180-T182 PolarHBondContact OD1-OG1 2.77Å; T182-I184 PolarHBondContact O-N 3.36Å; T182-R185 PolarHBondContact O-N 3.36Å; T182-R185 VanDerWaalsContact O-N 3.14Å; T182-S186 WeakPolarHBondContact OG1-CA 3.37Å; T182-S186 PolarHBondContact OG1-OG 2.75Å; T182-L189 HydrophobicContact CG2-CD1 3.82Å | ||
| 183 | G | 98.7 | Very high | 97.9 | Very high | 20 Ų | 20 | 37.3 Ų | 37.3 | 21% | 0.206 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | 60.9 | -123.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | C181 R185 S186 | C181-G183 PolarHBondContact O-N 2.92Å; G183-R185 PolarHBondContact O-N 3.09Å; G183-S186 PolarHBondContact O-OG 3.14Å; G183-S186 VanDerWaalsContact O-OG 3.05Å |
| 184 | I | 98.5 | Very high | 98 | Very high | 16 Ų | 16 | 37.5 Ų | 37.5 | 8% | 0.082 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -75.4 | -17.8 | -176.6 | -175.6 | 54.1 | 0 | 0 | 0 | 112.1 | T182 L195 T196 P197 W247 L282 P284 | T182-I184 PolarHBondContact O-N 3.36Å; I184-L195 HydrophobicContact CD1-CD1 4.22Å; I184-L195 HydrophobicContact CD1-CG 4.04Å; I184-L195 WeakPolarHBondContact O-CD2 3.49Å; I184-T196 WeakPolarHBondContact CD1-O 3.44Å; I184-P197 HydrophobicContact CD1-CB 4.03Å; I184-P197 HydrophobicContact CG1-CB 4.11Å; I184-W247 HydrophobicContact CD1-CH2 4Å; I184-W247 HydrophobicContact CD1-CZ3 4.45Å; I184-W247 HydrophobicContact CG1-CH2 3.79Å; I184-W247 HydrophobicContact CG1-CZ3 3.77Å; I184-L282 HydrophobicContact CG1-CB 4.42Å; I184-L282 HydrophobicContact CG2-CB 4.2Å; I184-P284 HydrophobicContact CB-CB 4.05Å |
| 185 | R | 98.1 | Very high | 98.1 | Very high | 69 Ų | 69 | 36.6 Ų | 36.6 | 26% | 0.26 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -95.1 | 7.3 | -177.6 | -59.3 | -176 | 68.1 | -157.3 | -3.7 | 113.1 | D37 T182 G183 G187 E188 | D37-R185 IonicContact OD1-NH1 3.37Å; D37-R185 IonicContact OD2-CZ 2.95Å; D37-R185 IonicContact OD2-NH1 3.25Å; D37-R185 PolarHBondContact OD2-NH1 3.07Å; T182-R185 PolarHBondContact O-N 3.36Å; T182-R185 VanDerWaalsContact O-N 3.14Å; G183-R185 PolarHBondContact O-N 3.09Å; R185-G187 PolarHBondContact O-N 3.43Å; R185-G187 VanDerWaalsContact O-N 3.11Å; R185-E188 IonicContact CZ-OE1 3.51Å; R185-E188 VanDerWaalsContact CZ-OE1 3.23Å; R185-E188 IonicContact CZ-OE2 2.64Å; R185-E188 IonicContact NE-OE1 2.93Å; R185-E188 PolarHBondContact NE-OE1 3.46Å; R185-E188 IonicContact NE-OE2 2.91Å; R185-E188 IonicContact NH2-OE1 3.74Å; R185-E188 PolarHBondContact NH2-OE1 3.35Å; R185-E188 IonicContact NH2-OE2 3.23Å; R185-E188 PolarHBondContact NH2-OE2 2.88Å; R185-E188 WeakPolarHBondContact O-CB 3.28Å; R185-E188 PolarHBondContact O-N 3.47Å |
| 186 | S | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -54.9 | -31.8 | 177.1 | -59.1 | 0 | 0 | 0 | 0 | 113.4 | T182 G183 E188 L189 Q190 Y309 | T182-S186 WeakPolarHBondContact OG1-CA 3.37Å; T182-S186 PolarHBondContact OG1-OG 2.75Å; G183-S186 PolarHBondContact O-OG 3.14Å; G183-S186 VanDerWaalsContact O-OG 3.05Å; S186-E188 PolarHBondContact O-N 3.42Å; S186-L189 PolarHBondContact O-N 2.79Å; S186-L189 VanDerWaalsContact O-N 3.12Å; S186-Q190 PolarHBondContact O-N 2.89Å; S186-Q190 VanDerWaalsContact O-N 3.14Å; S186-Y309 WeakPolarHBondContact OG-CB 3.44Å; S186-Y309 VanDerWaalsContact OG-CD1 3.22Å; S186-Y309 WeakPolarHBondContact OG-CD1 3.47Å; S186-Y309 VanDerWaalsContact OG-CD2 3.27Å; S186-Y309 WeakPolarHBondContact OG-CD2 3.26Å |
| 187 | G | 97.3 | Very high | 98.2 | Very high | 33 Ų | 33 | 35.6 Ų | 35.6 | 34% | 0.34 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58 | -23.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | R185 Q190 | R185-G187 PolarHBondContact O-N 3.43Å; R185-G187 VanDerWaalsContact O-N 3.11Å; G187-Q190 VanDerWaalsContact CA-O 3.32Å; G187-Q190 WeakPolarHBondContact CA-O 3.31Å; G187-Q190 CarbonylContact O-C 3.6Å |
| 188 | E | 97.5 | Very high | 98.2 | Very high | 107 Ų | 107 | 35.6 Ų | 35.6 | 50% | 0.5 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -74.3 | -31.6 | 177.4 | -62.8 | 179.7 | -162.8 | 0 | 0 | 112.6 | R185 S186 | R185-E188 IonicContact CZ-OE1 3.51Å; R185-E188 VanDerWaalsContact CZ-OE1 3.23Å; R185-E188 IonicContact CZ-OE2 2.64Å; R185-E188 IonicContact NE-OE1 2.93Å; R185-E188 PolarHBondContact NE-OE1 3.46Å; R185-E188 IonicContact NE-OE2 2.91Å; R185-E188 IonicContact NH2-OE1 3.74Å; R185-E188 PolarHBondContact NH2-OE1 3.35Å; R185-E188 IonicContact NH2-OE2 3.23Å; R185-E188 PolarHBondContact NH2-OE2 2.88Å; R185-E188 WeakPolarHBondContact O-CB 3.28Å; R185-E188 PolarHBondContact O-N 3.47Å; S186-E188 PolarHBondContact O-N 3.42Å |
| 189 | L | 97.9 | Very high | 98.2 | Very high | 28 Ų | 28 | 35.6 Ų | 35.6 | 15% | 0.147 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -87 | -32.7 | 177.5 | -68.6 | 177.9 | 0 | 0 | 0 | 112.2 | I6 I164 F167 T182 S186 | I6-L189 HydrophobicContact CD1-CD1 3.89Å; I6-L189 HydrophobicContact CG2-CD1 4.45Å; I164-L189 HydrophobicContact CG2-CD2 4.21Å; I164-L189 WeakPolarHBondContact O-CD2 3.16Å; F167-L189 HydrophobicContact CD1-CD1 4.41Å; F167-L189 HydrophobicContact CE1-CB 4.13Å; F167-L189 HydrophobicContact CE1-CD1 3.69Å; F167-L189 HydrophobicContact CE1-CG 4.46Å; F167-L189 HydrophobicContact CE2-CB 4.2Å; F167-L189 HydrophobicContact CZ-CB 3.77Å; F167-L189 HydrophobicContact CZ-CD1 4.1Å; T182-L189 HydrophobicContact CG2-CD1 3.82Å; S186-L189 PolarHBondContact O-N 2.79Å; S186-L189 VanDerWaalsContact O-N 3.12Å |
| 190 | Q | 96.9 | Very high | 98.2 | Very high | 39 Ų | 39 | 35.7 Ų | 35.7 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -156 | 123.7 | 176.2 | -177.2 | 173 | -32.8 | 0 | 0 | 109.2 | F167 S186 G187 D192 E294 | F167-Q190 HydrophobicContact CE2-CB 4.14Å; S186-Q190 PolarHBondContact O-N 2.89Å; S186-Q190 VanDerWaalsContact O-N 3.14Å; G187-Q190 VanDerWaalsContact CA-O 3.32Å; G187-Q190 WeakPolarHBondContact CA-O 3.31Å; G187-Q190 CarbonylContact O-C 3.6Å; Q190-D192 PolarHBondContact O-N 2.95Å; Q190-E294 PolarHBondContact NE2-OE1 3.35Å; Q190-E294 PolarHBondContact NE2-OE2 2.94Å |
| 191 | P | 97.8 | Very high | 98.2 | Very high | 116 Ų | 116 | 35.7 Ų | 35.7 | 75% | 0.753 | 21% | 0.211 | S | C | * | . | trans | -54.6 | 128.5 | -178.4 | -27.5 | 35 | 0 | 0 | 0 | 112.8 | ||||
| 192 | D | 98.3 | Very high | 98.1 | Very high | 20 Ų | 20 | 35.5 Ų | 35.5 | 11% | 0.107 | 21% | 0.209 | C | C | . | . | trans | -138.2 | 93.4 | 175.7 | -173.3 | -6.8 | 0 | 0 | 0 | 109.1 | Q190 D194 L195 R286 Y309 | Q190-D192 PolarHBondContact O-N 2.95Å; D192-D194 PolarHBondContact O-N 3.22Å; D192-D194 WeakPolarHBondContact OD1-CB 3.26Å; D192-D194 PolarHBondContact OD1-N 3.24Å; D192-L195 HydrophobicContact CB-CB 4.27Å; D192-L195 WeakPolarHBondContact O-CB 3.34Å; D192-L195 PolarHBondContact O-N 3.23Å; D192-L195 VanDerWaalsContact O-N 3.1Å; D192-R286 IonicContact OD1-NE 3.88Å; D192-R286 IonicContact OD1-NH2 2.63Å; D192-R286 IonicContact OD2-CZ 3.5Å; D192-R286 IonicContact OD2-NE 2.93Å; D192-R286 PolarHBondContact OD2-NE 3.21Å; D192-R286 IonicContact OD2-NH2 3.61Å; D192-Y309 WeakPolarHBondContact OD2-CE2 3.3Å; D192-Y309 PolarHBondContact OD2-OH 3.47Å | ||
| 193 | P | 97.2 | Very high | 98.1 | Very high | 134 Ų | 134 | 34 Ų | 34 | 87% | 0.87 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -12.1 | -175.5 | 27.9 | -35 | 0 | 0 | 0 | 113.9 | L195 | P193-L195 VanDerWaalsContact C-N 3.27Š|
| 194 | D | 97.9 | Very high | 98.1 | Very high | 57 Ų | 57 | 34.4 Ų | 34.4 | 31% | 0.305 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -14.2 | 173.6 | -171.3 | 28.5 | 0 | 0 | 0 | 111.8 | D192 R286 S287 | D192-D194 PolarHBondContact O-N 3.22Å; D192-D194 WeakPolarHBondContact OD1-CB 3.26Å; D192-D194 PolarHBondContact OD1-N 3.24Å; D194-R286 HydrophobicContact CB-CG 4.04Å; D194-R286 WeakPolarHBondContact O-CA 3.49Å; D194-R286 WeakPolarHBondContact OD2-CG 3.48Å; D194-R286 IonicContact OD2-CZ 3.36Å; D194-R286 IonicContact OD2-NE 2.76Å; D194-R286 IonicContact OD2-NH1 3.8Å; D194-R286 IonicContact OD2-NH2 2.99Å; D194-S287 VanDerWaalsContact OD1-CB 3.3Å; D194-S287 WeakPolarHBondContact OD1-CB 3.22Å; D194-S287 PolarHBondContact OD1-N 3.44Å; D194-S287 PolarHBondContact OD1-OG 3.47Å; D194-S287 WeakPolarHBondContact OD2-CB 3.25Å; D194-S287 PolarHBondContact OD2-N 3.19Å; D194-S287 PolarHBondContact OD2-OG 2.81Å |
| 195 | L | 98.7 | Very high | 98.1 | Very high | 18 Ų | 18 | 33.7 Ų | 33.7 | 9% | 0.094 | 19% | 0.192 | C | C | . | . | trans | -90.3 | 121.8 | 179.7 | -174.9 | 67.6 | 0 | 0 | 0 | 111.2 | I184 D192 P193 P284 V285 R286 Y309 | I184-L195 HydrophobicContact CD1-CD1 4.22Å; I184-L195 HydrophobicContact CD1-CG 4.04Å; I184-L195 WeakPolarHBondContact O-CD2 3.49Å; D192-L195 HydrophobicContact CB-CB 4.27Å; D192-L195 WeakPolarHBondContact O-CB 3.34Å; D192-L195 PolarHBondContact O-N 3.23Å; D192-L195 VanDerWaalsContact O-N 3.1Å; P193-L195 VanDerWaalsContact C-N 3.27Å; L195-P284 HydrophobicContact CD1-CB 4.07Å; L195-V285 CarbonylContact C-O 3.53Å; L195-V285 WeakPolarHBondContact CA-O 3.31Å; L195-R286 HydrophobicContact CD1-CB 4.38Å; L195-Y309 HydrophobicContact CD1-CD2 4.27Å; L195-Y309 HydrophobicContact CD2-CD2 4.07Å; L195-Y309 HydrophobicContact CD2-CE2 3.96Å | ||
| 196 | T | 98.3 | Very high | 98.2 | Very high | 47 Ų | 47 | 33 Ų | 33 | 29% | 0.288 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 147.8 | -178.4 | -170.2 | 0 | 0 | 0 | 0 | 111.4 | I184 G198 L244 V285 | I184-T196 WeakPolarHBondContact CD1-O 3.44Å; T196-G198 PolarHBondContact O-N 2.89Å; T196-L244 HydrophobicContact CG2-CD2 3.96Å; T196-V285 HydrophobicContact CG2-CB 3.96Å; T196-V285 HydrophobicContact CG2-CG1 4.24Å; T196-V285 PolarHBondContact N-O 3.37Å; T196-V285 WeakPolarHBondContact O-CA 3.48Å; T196-V285 VanDerWaalsContact O-CB 3.29Å; T196-V285 WeakPolarHBondContact O-CB 3.42Å; T196-V285 PolarHBondContact O-N 2.59Å |
| 197 | P | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 131.1 | 178.5 | 31.2 | -38.1 | 0 | 0 | 0 | 110.2 | I184 L244 G245 N246 W247 L282 R283 | I184-P197 HydrophobicContact CD1-CB 4.03Å; I184-P197 HydrophobicContact CG1-CB 4.11Å; P197-L244 CarbonylContact O-C 3.57Å; P197-L244 WeakPolarHBondContact O-CA 3.19Å; P197-G245 PolarHBondContact O-N 3.36Å; P197-N246 WeakPolarHBondContact CG-O 3.45Å; P197-W247 HydrophobicContact CB-CD2 4.23Å; P197-W247 HydrophobicContact CB-CE3 4.32Å; P197-W247 VanDerWaalsContact CD-CE2 3.48Å; P197-W247 HydrophobicContact CG-CD2 3.63Å; P197-W247 VanDerWaalsContact CG-CE2 3.48Å; P197-W247 HydrophobicContact CG-CE3 4.21Å; P197-W247 HydrophobicContact CG-CG 3.86Å; P197-W247 HydrophobicContact CG-CZ2 3.97Å; P197-L282 HydrophobicContact CB-CB 4.22Å; P197-L282 HydrophobicContact CB-CD1 4.5Å; P197-L282 HydrophobicContact CB-CD2 4.29Å; P197-R283 WeakPolarHBondContact CA-O 3.48Å |
| 198 | G | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 84.9 | 162 | 0 | 0 | 0 | 0 | 0 | 109.3 | T196 G200 R283 | T196-G198 PolarHBondContact O-N 2.89Å; G198-G200 PolarHBondContact O-N 3.4Å; G198-R283 PolarHBondContact N-O 3.18Å; G198-R283 VanDerWaalsContact O-CB 3.29Å; G198-R283 WeakPolarHBondContact O-CB 3.44Å; G198-R283 WeakPolarHBondContact O-CG 3.49Å; G198-R283 PolarHBondContact O-N 3.09Å; G198-R283 PolarHBondContact O-NH1 3.22Å |
| 199 | R | 98.6 | Very high | 98.3 | Very high | 3 Ų | 3 | 35.3 Ų | 35.3 | 1% | 0.011 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 128.1 | 179.8 | -179.5 | -177.5 | 176.3 | -81.4 | -8.3 | 109.9 | F242 Q243 N246 S248 Q250 D255 T280 G281 L282 | R199-F242 CarbonylContact O-C 3.5Å; R199-F242 WeakPolarHBondContact O-CA 3.44Å; R199-Q243 HydrophobicContact CB-CB 4.27Å; R199-Q243 PolarHBondContact N-O 3.07Å; R199-Q243 PolarHBondContact O-N 3.16Å; R199-N246 HydrophobicContact CB-CB 4Å; R199-N246 WeakPolarHBondContact CB-O 3.42Å; R199-N246 VanDerWaalsContact CD-CG 3.42Å; R199-N246 VanDerWaalsContact CD-ND2 3.34Å; R199-N246 WeakPolarHBondContact CD-ND2 3.25Å; R199-S248 WeakPolarHBondContact CD-O 3.26Å; R199-S248 PolarHBondContact NE-O 2.86Å; R199-Q250 PolarHBondContact NH2-O 3.37Å; R199-D255 IonicContact CZ-OD2 3.43Å; R199-D255 IonicContact NH1-OD2 3.7Å; R199-D255 PolarHBondContact NH1-OD2 3.41Å; R199-D255 IonicContact NH2-OD2 3.92Å; R199-T280 HydrophobicContact CG-CG2 3.88Å; R199-T280 PolarHBondContact NH2-OG1 3.3Å; R199-G281 WeakPolarHBondContact CA-O 3.25Å; R199-L282 HydrophobicContact CB-CD2 3.86Å; R199-L282 HydrophobicContact CG-CD2 4.06Å |
| 200 | G | 98.3 | Very high | 98.3 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 137.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111 | G198 V241 T280 G281 | G198-G200 PolarHBondContact O-N 3.4Å; G200-V241 VanDerWaalsContact CA-O 3.28Å; G200-V241 WeakPolarHBondContact CA-O 3.28Å; G200-T280 WeakPolarHBondContact O-CA 2.9Å; G200-G281 PolarHBondContact N-O 3.29Å; G200-G281 PolarHBondContact O-N 2.9Å |
| 201 | Q | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 142.8 | 167.7 | -170.7 | 169 | -40.5 | 0 | 0 | 109.1 | N252 D255 I259 W279 | Q201-N252 PolarHBondContact NE2-O 3.5Å; Q201-D255 HydrophobicContact CB-CB 4.47Å; Q201-I259 HydrophobicContact CB-CD1 4.06Å; Q201-I259 HydrophobicContact CG-CD1 4.22Å; Q201-I259 VanDerWaalsContact O-CD1 3.25Å; Q201-I259 WeakPolarHBondContact O-CD1 3.44Å; Q201-W279 CarbonylContact C-O 3.55Å; Q201-W279 WeakPolarHBondContact CA-O 3.45Å |
| 202 | I | 98.6 | Very high | 98.4 | Very high | 5 Ų | 5 | 37.6 Ų | 37.6 | 3% | 0.026 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 155.2 | 176.2 | 61.9 | 177.4 | 0 | 0 | 0 | 110 | G47 Y228 T237 V238 D278 W279 | G47-I202 WeakPolarHBondContact O-CD1 3.21Å; I202-Y228 HydrophobicContact CG2-CE2 4.43Å; I202-Y228 VanDerWaalsContact CG2-OH 3.28Å; I202-Y228 WeakPolarHBondContact CG2-OH 3.33Å; I202-T237 HydrophobicContact CB-CG2 3.91Å; I202-T237 HydrophobicContact CD1-CG2 3.75Å; I202-T237 HydrophobicContact CG1-CG2 4.36Å; I202-T237 HydrophobicContact CG2-CG2 3.93Å; I202-V238 CarbonylContact C-O 3.47Å; I202-V238 VanDerWaalsContact CA-O 3.26Å; I202-V238 WeakPolarHBondContact CA-O 3.42Å; I202-V238 WeakPolarHBondContact CB-O 3.36Å; I202-D278 WeakPolarHBondContact O-CA 3.29Å; I202-W279 HydrophobicContact CD1-CB 4.26Å; I202-W279 HydrophobicContact CD1-CE3 3.92Å; I202-W279 HydrophobicContact CG1-CB 3.89Å; I202-W279 HydrophobicContact CG1-CE3 4.04Å; I202-W279 PolarHBondContact N-O 2.86Å; I202-W279 PolarHBondContact O-N 3.25Å |
| 203 | V | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 124.1 | 169.5 | -172.2 | 0 | 0 | 0 | 0 | 107.7 | V205 V238 I259 V275 E277 | V203-V205 HydrophobicContact CG1-CG1 3.83Å; V203-V238 HydrophobicContact CB-CB 4.47Å; V203-V238 PolarHBondContact N-O 3.1Å; V203-V238 PolarHBondContact O-N 3.24Å; V203-I259 HydrophobicContact CG2-CB 4.44Å; V203-I259 HydrophobicContact CG2-CG2 3.92Å; V203-V275 HydrophobicContact CG1-CB 4.48Å; V203-V275 HydrophobicContact CG1-CG1 3.66Å; V203-V275 HydrophobicContact CG1-CG2 4.15Å; V203-E277 CarbonylContact C-O 3.49Å |
| 204 | K | 98.4 | Very high | 98.5 | Very high | 28 Ų | 28 | 30.5 Ų | 30.5 | 12% | 0.122 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 129.5 | 171.2 | -65.8 | -71.6 | -169.8 | 176.9 | 0 | 108.8 | L235 V236 T237 V276 E277 | K204-L235 HydrophobicContact CB-CD1 4.13Å; K204-V236 WeakPolarHBondContact CA-O 3.12Å; K204-T237 HydrophobicContact CD-CG2 4.46Å; K204-T237 PolarHBondContact NZ-OG1 3.13Å; K204-V276 WeakPolarHBondContact O-CB 3.24Å; K204-V276 PolarHBondContact O-N 3.32Å; K204-E277 HydrophobicContact CB-CB 4.19Å; K204-E277 PolarHBondContact N-O 2.88Å; K204-E277 PolarHBondContact O-N 2.98Å |
| 205 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 152.4 | -177.5 | -55 | 0 | 0 | 0 | 0 | 112.6 | V203 A207 V236 V238 W260 L270 A273 R274 V275 | V203-V205 HydrophobicContact CG1-CG1 3.83Å; V205-A207 HydrophobicContact CG2-CB 4.04Å; V205-A207 PolarHBondContact O-N 2.88Å; V205-V236 HydrophobicContact CG2-CB 3.85Å; V205-V236 HydrophobicContact CG2-CG1 4.41Å; V205-V236 PolarHBondContact N-O 3.28Å; V205-V236 PolarHBondContact O-N 3.36Å; V205-V238 HydrophobicContact CG1-CG2 4.49Å; V205-V238 HydrophobicContact CG2-CG2 3.98Å; V205-W260 HydrophobicContact CG1-CH2 4.23Å; V205-W260 HydrophobicContact CG1-CZ3 3.73Å; V205-L270 HydrophobicContact CG2-CD2 3.93Å; V205-A273 HydrophobicContact CB-CB 4.13Å; V205-A273 HydrophobicContact CG2-CB 4.17Å; V205-R274 WeakPolarHBondContact CA-O 3.17Å; V205-V275 HydrophobicContact CG1-CG2 4.17Å |
| 206 | D | 98.7 | Very high | 98.4 | Very high | 54 Ų | 54 | 27.2 Ų | 27.2 | 29% | 0.289 | 13% | 0.132 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 95.2 | 171.9 | -166.9 | -3.7 | 0 | 0 | 0 | 108.8 | P208 L235 A273 R274 V276 | D206-P208 WeakPolarHBondContact OD1-CD 3.35Å; D206-L235 HydrophobicContact CB-CD2 4.44Å; D206-A273 WeakPolarHBondContact O-CB 3.44Å; D206-R274 HydrophobicContact CB-CB 4.26Å; D206-R274 PolarHBondContact N-O 3.27Å; D206-R274 IonicContact OD2-CZ 3.26Å; D206-R274 IonicContact OD2-NE 2.92Å; D206-R274 IonicContact OD2-NH2 2.7Å; D206-R274 PolarHBondContact OD2-NH2 3.03Å; D206-V276 HydrophobicContact CB-CG2 4.12Å |
| 207 | A | 98.5 | Very high | 98.2 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.008 | 12% | 0.124 | C | C | . | . | trans | -140.9 | 63.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | V205 W209 L210 V236 L270 A273 | V205-A207 HydrophobicContact CG2-CB 4.04Å; V205-A207 PolarHBondContact O-N 2.88Å; A207-W209 HydrophobicContact CB-CD2 4.49Å; A207-W209 HydrophobicContact CB-CH2 4.16Å; A207-W209 HydrophobicContact CB-CZ2 3.82Å; A207-W209 PolarHBondContact O-N 3.37Å; A207-L210 HydrophobicContact CB-CD1 3.93Å; A207-L210 HydrophobicContact CB-CG 4.26Å; A207-L210 PolarHBondContact O-N 3.32Å; A207-L210 VanDerWaalsContact O-N 3.07Å; A207-V236 HydrophobicContact CB-CB 4.42Å; A207-V236 HydrophobicContact CB-CG2 3.9Å; A207-V236 WeakPolarHBondContact O-CG2 3.29Å; A207-L270 HydrophobicContact CB-CD2 4.15Å; A207-A273 HydrophobicContact CB-CB 3.8Å | ||
| 208 | P | 98.1 | Very high | 97.5 | Very high | 72 Ų | 72 | 29.1 Ų | 29.1 | 47% | 0.468 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -13.5 | -169.6 | 27.1 | -36.5 | 0 | 0 | 0 | 113.9 | D206 L210 K211 | D206-P208 WeakPolarHBondContact OD1-CD 3.35Å; P208-L210 VanDerWaalsContact C-N 3.28Å; P208-K211 WeakPolarHBondContact O-CE 3.21Å; P208-K211 PolarHBondContact O-NZ 3.26Å |
| 209 | W | 98.4 | Very high | 96.5 | Very high | 116 Ų | 116 | 32.5 Ų | 32.5 | 44% | 0.439 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -18.7 | 174.7 | 56.1 | 88.4 | 0 | 0 | 0 | 113.4 | A207 K211 S269 H272 A273 | A207-W209 HydrophobicContact CB-CD2 4.49Å; A207-W209 HydrophobicContact CB-CH2 4.16Å; A207-W209 HydrophobicContact CB-CZ2 3.82Å; A207-W209 PolarHBondContact O-N 3.37Å; W209-K211 PolarHBondContact O-N 2.85Å; W209-S269 PolarHBondContact NE1-OG 2.89Å; W209-H272 HydrophobicContact CH2-CB 4.44Å; W209-A273 HydrophobicContact CH2-CB 4.15Å; W209-A273 HydrophobicContact CZ2-CB 4.1Å |
| 210 | L | 98.4 | Very high | 95.8 | Very high | 16 Ų | 16 | 41.4 Ų | 41.4 | 8% | 0.084 | 20% | 0.202 | C | C | . | . | trans | -79.6 | 113.7 | 177 | -61.2 | 178.5 | 0 | 0 | 0 | 110.2 | A207 P208 I229 P231 V236 E267 L270 | A207-L210 HydrophobicContact CB-CD1 3.93Å; A207-L210 HydrophobicContact CB-CG 4.26Å; A207-L210 PolarHBondContact O-N 3.32Å; A207-L210 VanDerWaalsContact O-N 3.07Å; P208-L210 VanDerWaalsContact C-N 3.28Å; L210-I229 HydrophobicContact CD1-CG2 3.89Å; L210-P231 HydrophobicContact CB-CG 4.07Å; L210-P231 WeakPolarHBondContact O-CB 3.44Å; L210-P231 VanDerWaalsContact O-CG 3.31Å; L210-P231 WeakPolarHBondContact O-CG 3.49Å; L210-V236 HydrophobicContact CB-CG2 4.21Å; L210-V236 HydrophobicContact CD1-CG1 4.14Å; L210-V236 HydrophobicContact CD1-CG2 4.34Å; L210-E267 HydrophobicContact CD1-CG 4.26Å; L210-E267 HydrophobicContact CD2-CG 3.67Å; L210-L270 HydrophobicContact CD1-CD2 3.63Å; L210-L270 HydrophobicContact CD1-CG 4.18Å | ||
| 211 | K | 97.8 | Very high | 94.9 | Very high | 136 Ų | 136 | 43.2 Ų | 43.2 | 59% | 0.591 | 22% | 0.217 | S | C | * | . | trans | -114.6 | -8.6 | -175.9 | -58.2 | -52.2 | -171.1 | -169.6 | 0 | 114.5 | P208 W209 | P208-K211 WeakPolarHBondContact O-CE 3.21Å; P208-K211 PolarHBondContact O-NZ 3.26Å; W209-K211 PolarHBondContact O-N 2.85Å | ||
| 212 | H | 98.6 | Very high | 94.3 | Very high | 79 Ų | 79 | 45 Ų | 45 | 37% | 0.366 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -115.8 | 138.8 | 176.9 | -63.2 | 98.6 | 0 | 0 | 0 | 109.7 | S93 Y95 P231 | S93-H212 WeakPolarHBondContact O-CA 3.38Å; S93-H212 PolarHBondContact O-CD2 2.88Å; Y95-H212 HydrophobicContact CD2-CB 4.02Å; Y95-H212 HydrophobicContact CE2-CB 3.62Å; Y95-H212 AromaticContact CE2-CG 3.75Å; H212-P231 WeakPolarHBondContact O-CD 3.44Å; H212-P231 WeakPolarHBondContact O-CG 3.45Å |
| 213 | W | 98.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 149 | 165.7 | 53.7 | -99 | 0 | 0 | 0 | 109.7 | F51 Q92 S93 G94 Y95 N96 N134 I215 I229 I230 | F51-W213 HydrophobicContact CD2-CG 4.43Å; F51-W213 AromaticContact CE1-CD2 3.86Å; F51-W213 HydrophobicContact CE1-CD2 3.86Å; F51-W213 AromaticContact CE1-CE2 3.88Å; F51-W213 HydrophobicContact CE1-CE3 4.11Å; F51-W213 HydrophobicContact CE1-CG 4.29Å; F51-W213 HydrophobicContact CE1-CH2 4.46Å; F51-W213 HydrophobicContact CE1-CZ2 4.22Å; F51-W213 HydrophobicContact CE1-CZ3 4.37Å; F51-W213 AromaticContact CE2-CD1 3.42Å; F51-W213 VanDerWaalsContact CE2-CD1 3.42Å; F51-W213 HydrophobicContact CE2-CD2 4.14Å; F51-W213 AromaticContact CE2-CE2 3.74Å; F51-W213 HydrophobicContact CE2-CG 4.01Å; F51-W213 HydrophobicContact CE2-CZ2 4.46Å; F51-W213 AromaticContact CE2-NE1 3.24Å; F51-W213 AromaticContact CZ-CD1 3.7Å; F51-W213 AromaticContact CZ-CD2 3.6Å; F51-W213 HydrophobicContact CZ-CD2 3.6Å; F51-W213 AromaticContact CZ-CE2 3.19Å; F51-W213 HydrophobicContact CZ-CE3 4.25Å; F51-W213 AromaticContact CZ-CG 3.96Å; F51-W213 HydrophobicContact CZ-CG 3.96Å; F51-W213 HydrophobicContact CZ-CH2 4.25Å; F51-W213 AromaticContact CZ-CZ2 3.59Å; F51-W213 HydrophobicContact CZ-CZ2 3.59Å; F51-W213 AromaticContact CZ-NE1 3.23Å; Q92-W213 PolarHBondContact O-NE1 2.81Å; Q92-W213 VanDerWaalsContact O-NE1 3.1Å; S93-W213 VanDerWaalsContact O-CD1 3.25Å; S93-W213 PolarHBondContact O-N 3.16Å; S93-W213 PolarHBondContact O-NE1 3.01Å; G94-W213 CarbonylContact C-O 3.58Å; G94-W213 WeakPolarHBondContact CA-O 2.98Å; G94-W213 VanDerWaalsContact N-CE2 3.25Å; G94-W213 VanDerWaalsContact O-CH2 3.3Å; G94-W213 WeakPolarHBondContact O-CH2 3.36Å; G94-W213 WeakPolarHBondContact O-CZ2 3.34Å; Y95-W213 PolarHBondContact N-O 3.36Å; Y95-W213 VanDerWaalsContact O-CZ3 3.23Å; Y95-W213 WeakPolarHBondContact O-CZ3 3.29Å; N96-W213 HydrophobicContact CB-CZ3 4.43Å; N96-W213 VanDerWaalsContact ND2-CH2 3.29Å; N96-W213 WeakPolarHBondContact ND2-CH2 3.2Å; N96-W213 VanDerWaalsContact ND2-CZ3 3.35Å; N96-W213 WeakPolarHBondContact ND2-CZ3 3.41Å; N134-W213 WeakPolarHBondContact O-CZ2 3.34Å; N134-W213 VanDerWaalsContact OD1-CH2 3.29Å; N134-W213 WeakPolarHBondContact OD1-CH2 3.36Å; N134-W213 WeakPolarHBondContact OD1-CZ2 3.41Å; W213-I215 HydrophobicContact CE3-CD1 4.09Å; W213-I215 HydrophobicContact CE3-CG1 4.03Å; W213-I215 HydrophobicContact CZ3-CD1 4.45Å; W213-I229 CarbonylContact C-O 3.51Å; W213-I229 VanDerWaalsContact CA-O 3.24Å; W213-I229 WeakPolarHBondContact CA-O 3.21Å; W213-I230 HydrophobicContact CB-CG1 4.32Å |
| 214 | I | 98.8 | Very high | 93.2 | Very high | 6 Ų | 6 | 49.8 Ų | 49.8 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 117.4 | 177.3 | -51.2 | 165.4 | 0 | 0 | 0 | 106.5 | Y95 L97 F125 Y228 I229 L266 | Y95-I214 HydrophobicContact CD2-CG1 4.36Å; Y95-I214 WeakPolarHBondContact O-CA 3.42Å; L97-I214 HydrophobicContact CD1-CG2 3.51Å; L97-I214 HydrophobicContact CG-CG2 4.35Å; F125-I214 HydrophobicContact CE1-CD1 3.88Å; F125-I214 HydrophobicContact CE1-CG1 4.24Å; F125-I214 HydrophobicContact CE1-CG2 4.19Å; I214-Y228 CarbonylContact O-C 3.53Å; I214-Y228 VanDerWaalsContact O-CA 3.25Å; I214-Y228 WeakPolarHBondContact O-CA 3.49Å; I214-I229 HydrophobicContact CB-CB 4.43Å; I214-I229 HydrophobicContact CD1-CD1 4.38Å; I214-I229 PolarHBondContact N-O 3.06Å; I214-I229 PolarHBondContact O-N 2.85Å; I214-L266 HydrophobicContact CB-CD2 4.41Å; I214-L266 HydrophobicContact CG2-CD1 4.13Å; I214-L266 HydrophobicContact CG2-CD2 3.79Å; I214-L266 HydrophobicContact CG2-CG 4.16Å |
| 215 | I | 98.4 | Very high | 92.9 | Very high | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.015 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 121.3 | 178.2 | -60.9 | 174.2 | 0 | 0 | 0 | 107.7 | F51 Y95 N96 L97 W213 I230 | F51-I215 HydrophobicContact CD1-CD1 3.67Å; F51-I215 HydrophobicContact CE1-CD1 3.81Å; Y95-I215 PolarHBondContact O-N 2.93Å; N96-I215 CarbonylContact C-O 3.55Å; N96-I215 VanDerWaalsContact CA-O 3.31Å; N96-I215 WeakPolarHBondContact CA-O 3.03Å; L97-I215 PolarHBondContact N-O 2.95Å; W213-I215 HydrophobicContact CE3-CD1 4.09Å; W213-I215 HydrophobicContact CE3-CG1 4.03Å; W213-I215 HydrophobicContact CZ3-CD1 4.45Å; I215-I230 HydrophobicContact CD1-CD1 4.38Å |
| 216 | T | 97.3 | Very high | 92.7 | Very high | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.018 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 146.5 | 179.4 | 66.6 | 0 | 0 | 0 | 0 | 110.3 | L97 Y128 S226 P227 L266 | L97-T216 HydrophobicContact CB-CG2 4.21Å; L97-T216 HydrophobicContact CD1-CG2 4.16Å; L97-T216 CarbonylContact O-C 3.57Å; L97-T216 WeakPolarHBondContact O-CA 3.39Å; Y128-T216 HydrophobicContact CE1-CG2 3.83Å; Y128-T216 HydrophobicContact CE2-CG2 4.16Å; Y128-T216 VanDerWaalsContact CZ-CG2 3.47Å; Y128-T216 WeakPolarHBondContact OH-CB 3.35Å; Y128-T216 WeakPolarHBondContact OH-CG2 3.49Å; T216-S226 WeakPolarHBondContact O-CB 3.48Å; T216-S226 WeakPolarHBondContact OG1-CB 3.31Å; T216-S226 PolarHBondContact OG1-OG 2.88Å; T216-P227 WeakPolarHBondContact CB-O 3.48Å; T216-P227 HydrophobicContact CG2-CG 4.34Å; T216-P227 WeakPolarHBondContact CG2-O 3.25Å; T216-P227 PolarHBondContact N-O 2.98Å; T216-P227 VanDerWaalsContact OG1-CD 3.3Å; T216-P227 WeakPolarHBondContact OG1-CD 3.26Å; T216-P227 WeakPolarHBondContact OG1-CG 3.48Å; T216-P227 PolarHBondContact OG1-O 2.87Å; T216-L266 HydrophobicContact CG2-CD1 3.83Å; T216-L266 HydrophobicContact CG2-CD2 3.61Å; T216-L266 HydrophobicContact CG2-CG 4.38Å |
| 217 | H | 93 | Very high | 92.7 | Very high | 25 Ų | 25 | 50.1 Ų | 50.1 | 12% | 0.116 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 129.4 | -179 | -60 | -79.8 | 0 | 0 | 0 | 110.2 | N96 L97 L102 | N96-H217 PolarHBondContact OD1-NE2 3.46Å; L97-H217 PolarHBondContact O-N 2.83Å; L102-H217 HydrophobicContact CD1-CB 4.37Å |
| 218 | N | 84.3 | Confident | 92.7 | Very high | 62 Ų | 62 | 50.6 Ų | 50.6 | 33% | 0.332 | 27% | 0.268 | S | S | . | . | trans | -128.3 | 108.1 | 173.3 | -178.2 | -22.4 | 0 | 0 | 0 | 108.6 | K220 A221 G222 | N218-K220 PolarHBondContact O-N 2.89Å; N218-K220 VanDerWaalsContact O-N 3.12Å; N218-K220 WeakPolarHBondContact OD1-CB 3.34Å; N218-K220 PolarHBondContact OD1-N 2.89Å; N218-A221 HydrophobicContact CB-CB 4Å; N218-A221 PolarHBondContact O-N 2.91Å; N218-A221 VanDerWaalsContact O-N 3.15Å; N218-A221 PolarHBondContact OD1-N 3.13Å; N218-G222 PolarHBondContact O-N 2.76Å | ||
| 219 | S | 77.4 | Confident | 92.7 | Very high | 70 Ų | 70 | 47.2 Ų | 47.2 | 49% | 0.49 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -27.2 | -177.8 | 59 | 0 | 0 | 0 | 0 | 113.4 | E100 | E100-S219 WeakPolarHBondContact OE1-CB 3.42Å; E100-S219 PolarHBondContact OE1-OG 3.5Å |
| 220 | K | 84 | Confident | 92.7 | Very high | 191 Ų | 191 | 42.1 Ų | 42.1 | 83% | 0.83 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -28.8 | -179.2 | -57.4 | -176.5 | -173.6 | -178.7 | 0 | 113.4 | N218 | N218-K220 PolarHBondContact O-N 2.89Å; N218-K220 VanDerWaalsContact O-N 3.12Å; N218-K220 WeakPolarHBondContact OD1-CB 3.34Å; N218-K220 PolarHBondContact OD1-N 2.89Å |
| 221 | A | 80.3 | Confident | 92.7 | Very high | 40 Ų | 40 | 41.5 Ų | 41.5 | 33% | 0.331 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -17.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | N218 N225 | N218-A221 HydrophobicContact CB-CB 4Å; N218-A221 PolarHBondContact O-N 2.91Å; N218-A221 VanDerWaalsContact O-N 3.15Å; N218-A221 PolarHBondContact OD1-N 3.13Å; A221-N225 HydrophobicContact CB-CB 4Å; A221-N225 VanDerWaalsContact O-CB 3.29Å; A221-N225 WeakPolarHBondContact O-CB 3.39Å; A221-N225 PolarHBondContact O-ND2 3.12Å |
| 222 | G | 84.9 | Confident | 92.7 | Very high | 37 Ų | 37 | 35.8 Ų | 35.8 | 38% | 0.381 | 20% | 0.203 | S | C | . | . | trans | 84.1 | 175.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | N218 Y224 N225 | N218-G222 PolarHBondContact O-N 2.76Å; G222-Y224 PolarHBondContact O-N 2.94Å; G222-N225 PolarHBondContact O-N 3.22Å | ||
| 223 | V | 85.5 | Confident | 92.6 | Very high | 72 Ų | 72 | 35.4 Ų | 35.4 | 44% | 0.436 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 131.5 | -172.4 | -179.2 | 0 | 0 | 0 | 0 | 111.1 | Y55 N225 F242 | Y55-V223 HydrophobicContact CD1-CG1 3.63Å; Y55-V223 HydrophobicContact CE1-CG1 3.65Å; Y55-V223 HydrophobicContact CG-CG1 4.41Å; V223-N225 PolarHBondContact O-N 2.67Å; V223-N225 VanDerWaalsContact O-N 3.1Å; V223-F242 WeakPolarHBondContact O-CB 3.22Å |
| 224 | Y | 89.1 | Confident | 92.4 | Very high | 34 Ų | 34 | 45.6 Ų | 45.6 | 13% | 0.133 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 16 | 177.2 | -55.4 | -38 | 0 | 0 | 0 | 116.3 | Y55 G222 G240 V241 F242 | Y55-Y224 HydrophobicContact CD1-CE2 4.08Å; Y55-Y224 HydrophobicContact CE1-CD2 4.2Å; Y55-Y224 AromaticContact CE1-CE2 3.6Å; Y55-Y224 HydrophobicContact CE1-CE2 3.6Å; G222-Y224 PolarHBondContact O-N 2.94Å; Y224-G240 CarbonylContact O-C 3.49Å; Y224-G240 WeakPolarHBondContact O-CA 3.43Å; Y224-V241 PolarHBondContact O-N 3.45Å; Y224-F242 HydrophobicContact CD2-CD2 4.06Å; Y224-F242 HydrophobicContact CD2-CE2 4.33Å |
| 225 | N | 93.1 | Very high | 92.4 | Very high | 61 Ų | 61 | 47.7 Ų | 47.7 | 33% | 0.326 | 26% | 0.259 | S | S | . | . | trans | -93.5 | 29.3 | 167.6 | -74.5 | -44.9 | 0 | 0 | 0 | 112.3 | A221 G222 V223 F242 | A221-N225 HydrophobicContact CB-CB 4Å; A221-N225 VanDerWaalsContact O-CB 3.29Å; A221-N225 WeakPolarHBondContact O-CB 3.39Å; A221-N225 PolarHBondContact O-ND2 3.12Å; G222-N225 PolarHBondContact O-N 3.22Å; V223-N225 PolarHBondContact O-N 2.67Å; V223-N225 VanDerWaalsContact O-N 3.1Å; N225-F242 PolarHBondContact ND2-O 3.04Å; N225-F242 WeakPolarHBondContact OD1-CA 3.41Å; N225-F242 PolarHBondContact OD1-N 3.33Å; N225-F242 PolarHBondContact OD1-O 3.12Å; N225-F242 VanDerWaalsContact OD1-O 3.09Å | ||
| 226 | S | 94.2 | Very high | 92.4 | Very high | 14 Ų | 14 | 47.8 Ų | 47.8 | 10% | 0.098 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -139.9 | 148.6 | 179.4 | -163.8 | 0 | 0 | 0 | 0 | 107.1 | T216 Y228 G240 | T216-S226 WeakPolarHBondContact O-CB 3.48Å; T216-S226 WeakPolarHBondContact OG1-CB 3.31Å; T216-S226 PolarHBondContact OG1-OG 2.88Å; S226-Y228 PolarHBondContact O-N 3.47Å; S226-G240 WeakPolarHBondContact O-CA 3.48Å |
| 227 | P | 97.2 | Very high | 92.5 | Very high | 15 Ų | 15 | 47.7 Ų | 47.7 | 10% | 0.097 | 26% | 0.259 | C | S | . | . | trans | -58.3 | 137.2 | -171.7 | 21 | -33.7 | 0 | 0 | 0 | 112.4 | T216 G239 L266 | T216-P227 WeakPolarHBondContact CB-O 3.48Å; T216-P227 HydrophobicContact CG2-CG 4.34Å; T216-P227 WeakPolarHBondContact CG2-O 3.25Å; T216-P227 PolarHBondContact N-O 2.98Å; T216-P227 VanDerWaalsContact OG1-CD 3.3Å; T216-P227 WeakPolarHBondContact OG1-CD 3.26Å; T216-P227 WeakPolarHBondContact OG1-CG 3.48Å; T216-P227 PolarHBondContact OG1-O 2.87Å; P227-G239 WeakPolarHBondContact CA-O 3.37Å; P227-L266 HydrophobicContact CB-CD2 4.08Å; P227-L266 HydrophobicContact CG-CD2 4.2Å | ||
| 228 | Y | 98.4 | Very high | 92.7 | Very high | 11 Ų | 11 | 46.5 Ų | 46.5 | 4% | 0.043 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 146.2 | 167.7 | 60.8 | -96.3 | 0 | 0 | 0 | 111 | A49 I202 I214 S226 I230 T237 V238 G239 G240 | A49-Y228 HydrophobicContact CB-CE2 4.41Å; I202-Y228 HydrophobicContact CG2-CE2 4.43Å; I202-Y228 VanDerWaalsContact CG2-OH 3.28Å; I202-Y228 WeakPolarHBondContact CG2-OH 3.33Å; I214-Y228 CarbonylContact O-C 3.53Å; I214-Y228 VanDerWaalsContact O-CA 3.25Å; I214-Y228 WeakPolarHBondContact O-CA 3.49Å; S226-Y228 PolarHBondContact O-N 3.47Å; Y228-I230 HydrophobicContact CD2-CD1 3.73Å; Y228-I230 HydrophobicContact CD2-CG1 4.16Å; Y228-I230 HydrophobicContact CE2-CD1 4.26Å; Y228-T237 HydrophobicContact CE2-CG2 4.42Å; Y228-V238 WeakPolarHBondContact O-CA 3.26Å; Y228-G239 VanDerWaalsContact CE1-C 3.43Å; Y228-G239 VanDerWaalsContact CZ-CA 3.46Å; Y228-G239 PolarHBondContact N-O 3.41Å; Y228-G239 PolarHBondContact O-N 2.83Å; Y228-G240 VanDerWaalsContact CE1-N 3.29Å |
| 229 | I | 98.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 115.6 | -178.1 | -59.3 | 168.7 | 0 | 0 | 0 | 106.7 | L210 W213 I214 V236 T237 L266 E267 L270 | L210-I229 HydrophobicContact CD1-CG2 3.89Å; W213-I229 CarbonylContact C-O 3.51Å; W213-I229 VanDerWaalsContact CA-O 3.24Å; W213-I229 WeakPolarHBondContact CA-O 3.21Å; I214-I229 HydrophobicContact CB-CB 4.43Å; I214-I229 HydrophobicContact CD1-CD1 4.38Å; I214-I229 PolarHBondContact N-O 3.06Å; I214-I229 PolarHBondContact O-N 2.85Å; I229-V236 HydrophobicContact CG2-CG1 3.57Å; I229-T237 CarbonylContact C-O 3.58Å; I229-T237 WeakPolarHBondContact CA-O 3.4Å; I229-L266 HydrophobicContact CD1-CD2 3.95Å; I229-L266 HydrophobicContact CD1-CG 4.27Å; I229-L266 HydrophobicContact CG1-CD2 4.43Å; I229-E267 HydrophobicContact CD1-CB 3.45Å; I229-E267 VanDerWaalsContact CD1-CB 3.45Å; I229-E267 HydrophobicContact CD1-CG 4.29Å; I229-L270 HydrophobicContact CD1-CD1 3.68Å; I229-L270 HydrophobicContact CG1-CD1 4.2Å |
| 230 | I | 98.8 | Very high | 94.3 | Very high | 9 Ų | 9 | 41 Ų | 41 | 5% | 0.046 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 102 | -173 | -63.2 | 169.3 | 0 | 0 | 0 | 108.1 | A49 F51 M138 W213 I215 Y228 G232 T237 | A49-I230 HydrophobicContact CB-CD1 3.66Å; F51-I230 HydrophobicContact CB-CD1 4Å; F51-I230 HydrophobicContact CB-CG2 3.85Å; M138-I230 HydrophobicContact CE-CG2 3.71Å; M138-I230 HydrophobicContact SD-CG2 3.78Å; W213-I230 HydrophobicContact CB-CG1 4.32Å; I215-I230 HydrophobicContact CD1-CD1 4.38Å; Y228-I230 HydrophobicContact CD2-CD1 3.73Å; Y228-I230 HydrophobicContact CD2-CG1 4.16Å; Y228-I230 HydrophobicContact CE2-CD1 4.26Å; I230-G232 PolarHBondContact O-N 2.99Å; I230-T237 PolarHBondContact N-O 2.68Å; I230-T237 PolarHBondContact O-N 3.1Å |
| 231 | P | 98.6 | Very high | 94.9 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 126.2 | 173.4 | -22.9 | 33 | 0 | 0 | 0 | 111.6 | Q92 M138 L210 H212 V236 | Q92-P231 PolarHBondContact NE2-O 2.64Å; Q92-P231 PolarHBondContact OE1-O 3.45Å; M138-P231 WeakPolarHBondContact CE-O 3.46Å; L210-P231 HydrophobicContact CB-CG 4.07Å; L210-P231 WeakPolarHBondContact O-CB 3.44Å; L210-P231 VanDerWaalsContact O-CG 3.31Å; L210-P231 WeakPolarHBondContact O-CG 3.49Å; H212-P231 WeakPolarHBondContact O-CD 3.44Å; H212-P231 WeakPolarHBondContact O-CG 3.45Å; P231-V236 HydrophobicContact CB-CG2 4.25Å |
| 232 | G | 97.8 | Very high | 95.7 | Very high | 15 Ų | 15 | 31.3 Ų | 31.3 | 16% | 0.155 | 17% | 0.174 | C | C | . | . | trans | -92.1 | -173.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | E140 I230 R234 L235 | E140-G232 WeakPolarHBondContact OE1-CA 3.48Å; I230-G232 PolarHBondContact O-N 2.99Å; G232-R234 PolarHBondContact O-N 3.22Å; G232-L235 VanDerWaalsContact CA-O 3.27Å; G232-L235 WeakPolarHBondContact CA-O 3.18Å; G232-L235 PolarHBondContact N-O 3.16Å | ||
| 233 | S | 95.8 | Very high | 96.3 | Very high | 71 Ų | 71 | 32.3 Ų | 32.3 | 50% | 0.497 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -66.8 | -27.8 | 177.7 | 67.2 | 0 | 0 | 0 | 0 | 112.7 | E140 | E140-S233 PolarHBondContact OE1-N 2.87Å; E140-S233 PolarHBondContact OE1-OG 3.3Å; E140-S233 VanDerWaalsContact OE1-OG 3.07Å; E140-S233 VanDerWaalsContact OE2-CB 3.27Å; E140-S233 WeakPolarHBondContact OE2-CB 3.17Å; E140-S233 PolarHBondContact OE2-OG 3.18Å |
| 234 | R | 94.8 | Very high | 96.8 | Very high | 215 Ų | 215 | 34.2 Ų | 34.2 | 81% | 0.811 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -124.3 | -47 | -178.8 | -63.1 | -176.7 | -176.2 | -173.7 | 0.8 | 113.9 | G232 | G232-R234 PolarHBondContact O-N 3.22Š|
| 235 | L | 97.9 | Very high | 97.3 | Very high | 50 Ų | 50 | 34.4 Ų | 34.4 | 26% | 0.262 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -120.9 | 148.6 | -175.4 | -61.5 | 178.3 | 0 | 0 | 0 | 110.1 | K204 D206 G232 V276 | K204-L235 HydrophobicContact CB-CD1 4.13Å; D206-L235 HydrophobicContact CB-CD2 4.44Å; G232-L235 VanDerWaalsContact CA-O 3.27Å; G232-L235 WeakPolarHBondContact CA-O 3.18Å; G232-L235 PolarHBondContact N-O 3.16Å; L235-V276 HydrophobicContact CD1-CB 4.26Å; L235-V276 HydrophobicContact CD1-CG1 3.92Å; L235-V276 HydrophobicContact CD2-CB 4.48Å; L235-V276 HydrophobicContact CD2-CG2 3.89Å |
| 236 | V | 98.8 | Very high | 97.5 | Very high | 5 Ų | 5 | 34.3 Ų | 34.3 | 3% | 0.03 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 133.9 | 172.5 | -178.7 | 0 | 0 | 0 | 0 | 109 | K204 V205 A207 L210 I229 P231 V238 | K204-V236 WeakPolarHBondContact CA-O 3.12Å; V205-V236 HydrophobicContact CG2-CB 3.85Å; V205-V236 HydrophobicContact CG2-CG1 4.41Å; V205-V236 PolarHBondContact N-O 3.28Å; V205-V236 PolarHBondContact O-N 3.36Å; A207-V236 HydrophobicContact CB-CB 4.42Å; A207-V236 HydrophobicContact CB-CG2 3.9Å; A207-V236 WeakPolarHBondContact O-CG2 3.29Å; L210-V236 HydrophobicContact CB-CG2 4.21Å; L210-V236 HydrophobicContact CD1-CG1 4.14Å; L210-V236 HydrophobicContact CD1-CG2 4.34Å; I229-V236 HydrophobicContact CG2-CG1 3.57Å; P231-V236 HydrophobicContact CB-CG2 4.25Å; V236-V238 HydrophobicContact CG1-CG2 4.39Å |
| 237 | T | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 122.9 | 172.4 | -48.7 | 0 | 0 | 0 | 0 | 109.6 | A49 I202 K204 Y228 I229 I230 | A49-T237 HydrophobicContact CB-CG2 3.88Å; I202-T237 HydrophobicContact CB-CG2 3.91Å; I202-T237 HydrophobicContact CD1-CG2 3.75Å; I202-T237 HydrophobicContact CG1-CG2 4.36Å; I202-T237 HydrophobicContact CG2-CG2 3.93Å; K204-T237 HydrophobicContact CD-CG2 4.46Å; K204-T237 PolarHBondContact NZ-OG1 3.13Å; Y228-T237 HydrophobicContact CE2-CG2 4.42Å; I229-T237 CarbonylContact C-O 3.58Å; I229-T237 WeakPolarHBondContact CA-O 3.4Å; I230-T237 PolarHBondContact N-O 2.68Å; I230-T237 PolarHBondContact O-N 3.1Å |
| 238 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 130.9 | 173.8 | -172.7 | 0 | 0 | 0 | 0 | 108 | I202 V203 V205 Y228 V236 I259 A263 L270 | I202-V238 CarbonylContact C-O 3.47Å; I202-V238 VanDerWaalsContact CA-O 3.26Å; I202-V238 WeakPolarHBondContact CA-O 3.42Å; I202-V238 WeakPolarHBondContact CB-O 3.36Å; V203-V238 HydrophobicContact CB-CB 4.47Å; V203-V238 PolarHBondContact N-O 3.1Å; V203-V238 PolarHBondContact O-N 3.24Å; V205-V238 HydrophobicContact CG1-CG2 4.49Å; V205-V238 HydrophobicContact CG2-CG2 3.98Å; Y228-V238 WeakPolarHBondContact O-CA 3.26Å; V236-V238 HydrophobicContact CG1-CG2 4.39Å; V238-I259 HydrophobicContact CB-CG2 4.33Å; V238-I259 HydrophobicContact CG1-CG2 3.72Å; V238-A263 HydrophobicContact CG1-CB 3.17Å; V238-L270 HydrophobicContact CG2-CD1 4.23Å; V238-L270 HydrophobicContact CG2-CD2 4.42Å |
| 239 | G | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | -173.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | P227 Y228 | P227-G239 WeakPolarHBondContact CA-O 3.37Å; Y228-G239 VanDerWaalsContact CE1-C 3.43Å; Y228-G239 VanDerWaalsContact CZ-CA 3.46Å; Y228-G239 PolarHBondContact N-O 3.41Å; Y228-G239 PolarHBondContact O-N 2.83Å |
| 240 | G | 96.6 | Very high | 97.6 | Very high | 15 Ų | 15 | 52.9 Ų | 52.9 | 16% | 0.155 | 27% | 0.271 | C | S | . | . | trans | 161.9 | 26.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y224 S226 Y228 | Y224-G240 CarbonylContact O-C 3.49Å; Y224-G240 WeakPolarHBondContact O-CA 3.43Å; S226-G240 WeakPolarHBondContact O-CA 3.48Å; Y228-G240 VanDerWaalsContact CE1-N 3.29Å | ||
| 241 | V | 96.9 | Very high | 97.6 | Very high | 9 Ų | 9 | 56.1 Ų | 56.1 | 6% | 0.055 | 29% | 0.288 | C | S | . | . | trans | -126.8 | 126 | -177.1 | 175.4 | 0 | 0 | 0 | 0 | 109.9 | G200 Y224 Q243 D255 I259 R283 | G200-V241 VanDerWaalsContact CA-O 3.28Å; G200-V241 WeakPolarHBondContact CA-O 3.28Å; Y224-V241 PolarHBondContact O-N 3.45Å; V241-Q243 HydrophobicContact CG1-CG 3.91Å; V241-D255 HydrophobicContact CG2-CB 4.19Å; V241-I259 HydrophobicContact CB-CD1 4.48Å; V241-I259 HydrophobicContact CG2-CD1 3.76Å; V241-I259 HydrophobicContact CG2-CG1 3.76Å; V241-R283 PolarHBondContact O-NH1 3.36Å | ||
| 242 | F | 96.6 | Very high | 97.5 | Very high | 20 Ų | 20 | 59.1 Ų | 59.1 | 9% | 0.088 | 30% | 0.304 | C | S | . | . | trans | -144.2 | 92.1 | 173.3 | -163.9 | -70.4 | 0 | 0 | 0 | 109.7 | R199 V223 Y224 N225 L244 V285 | R199-F242 CarbonylContact O-C 3.5Å; R199-F242 WeakPolarHBondContact O-CA 3.44Å; V223-F242 WeakPolarHBondContact O-CB 3.22Å; Y224-F242 HydrophobicContact CD2-CD2 4.06Å; Y224-F242 HydrophobicContact CD2-CE2 4.33Å; N225-F242 PolarHBondContact ND2-O 3.04Å; N225-F242 WeakPolarHBondContact OD1-CA 3.41Å; N225-F242 PolarHBondContact OD1-N 3.33Å; N225-F242 PolarHBondContact OD1-O 3.12Å; N225-F242 VanDerWaalsContact OD1-O 3.09Å; F242-L244 HydrophobicContact CD1-CD2 4.42Å; F242-L244 HydrophobicContact CD1-CG 4.38Å; F242-L244 HydrophobicContact CE1-CD2 3.65Å; F242-L244 HydrophobicContact CE1-CG 4.05Å; F242-V285 HydrophobicContact CE1-CG2 3.93Å; F242-V285 HydrophobicContact CZ-CG2 3.48Å; F242-V285 VanDerWaalsContact CZ-CG2 3.48Å | ||
| 243 | Q | 97.4 | Very high | 97.5 | Very high | 57 Ų | 57 | 62.2 Ų | 62.2 | 27% | 0.266 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 109.5 | -176.7 | -66 | 165 | -10.5 | 0 | 0 | 110.3 | R199 V241 N246 D255 | R199-Q243 HydrophobicContact CB-CB 4.27Å; R199-Q243 PolarHBondContact N-O 3.07Å; R199-Q243 PolarHBondContact O-N 3.16Å; V241-Q243 HydrophobicContact CG1-CG 3.91Å; Q243-N246 HydrophobicContact CB-CB 4.05Å; Q243-N246 PolarHBondContact OE1-ND2 3.04Å; Q243-D255 PolarHBondContact NE2-OD1 2.8Å; Q243-D255 VanDerWaalsContact NE2-OD1 3.12Å; Q243-D255 PolarHBondContact NE2-OD2 2.88Å |
| 244 | L | 97.2 | Very high | 97.6 | Very high | 112 Ų | 112 | 62.5 Ų | 62.5 | 59% | 0.586 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 140.1 | 177.1 | -72.4 | 173.1 | 0 | 0 | 0 | 111.6 | T196 P197 F242 N246 V285 | T196-L244 HydrophobicContact CG2-CD2 3.96Å; P197-L244 CarbonylContact O-C 3.57Å; P197-L244 WeakPolarHBondContact O-CA 3.19Å; F242-L244 HydrophobicContact CD1-CD2 4.42Å; F242-L244 HydrophobicContact CD1-CG 4.38Å; F242-L244 HydrophobicContact CE1-CD2 3.65Å; F242-L244 HydrophobicContact CE1-CG 4.05Å; L244-N246 PolarHBondContact O-N 3.29Å; L244-V285 HydrophobicContact CD2-CB 4.11Å; L244-V285 HydrophobicContact CD2-CG1 3.91Å; L244-V285 HydrophobicContact CD2-CG2 4.05Å |
| 245 | G | 97.5 | Very high | 97.8 | Very high | 39 Ų | 39 | 53.1 Ų | 53.1 | 40% | 0.402 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | -7.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | P197 W247 | P197-G245 PolarHBondContact O-N 3.36Å; G245-W247 VanDerWaalsContact O-CD1 3.29Å; G245-W247 PolarHBondContact O-N 3.37Å |
| 246 | N | 98.2 | Very high | 97.8 | Very high | 58 Ų | 58 | 53 Ų | 53 | 31% | 0.31 | 29% | 0.286 | S | S | . | . | trans | -80.2 | 117.2 | 176.5 | -171.3 | -13.4 | 0 | 0 | 0 | 110.4 | P197 R199 Q243 L244 S248 | P197-N246 WeakPolarHBondContact CG-O 3.45Å; R199-N246 HydrophobicContact CB-CB 4Å; R199-N246 WeakPolarHBondContact CB-O 3.42Å; R199-N246 VanDerWaalsContact CD-CG 3.42Å; R199-N246 VanDerWaalsContact CD-ND2 3.34Å; R199-N246 WeakPolarHBondContact CD-ND2 3.25Å; Q243-N246 HydrophobicContact CB-CB 4.05Å; Q243-N246 PolarHBondContact OE1-ND2 3.04Å; L244-N246 PolarHBondContact O-N 3.29Å; N246-S248 VanDerWaalsContact OD1-CB 3.3Å; N246-S248 WeakPolarHBondContact OD1-CB 3.37Å; N246-S248 PolarHBondContact OD1-N 2.8Å | ||
| 247 | W | 98.2 | Very high | 97.8 | Very high | 144 Ų | 144 | 58.4 Ų | 58.4 | 55% | 0.545 | 31% | 0.312 | S | S | . | . | trans | -93.5 | -0.3 | -179.5 | -74.1 | 94.2 | 0 | 0 | 0 | 114.2 | I184 P197 G245 E249 L282 | I184-W247 HydrophobicContact CD1-CH2 4Å; I184-W247 HydrophobicContact CD1-CZ3 4.45Å; I184-W247 HydrophobicContact CG1-CH2 3.79Å; I184-W247 HydrophobicContact CG1-CZ3 3.77Å; P197-W247 HydrophobicContact CB-CD2 4.23Å; P197-W247 HydrophobicContact CB-CE3 4.32Å; P197-W247 VanDerWaalsContact CD-CE2 3.48Å; P197-W247 HydrophobicContact CG-CD2 3.63Å; P197-W247 VanDerWaalsContact CG-CE2 3.48Å; P197-W247 HydrophobicContact CG-CE3 4.21Å; P197-W247 HydrophobicContact CG-CG 3.86Å; P197-W247 HydrophobicContact CG-CZ2 3.97Å; G245-W247 VanDerWaalsContact O-CD1 3.29Å; G245-W247 PolarHBondContact O-N 3.37Å; W247-E249 PolarHBondContact O-N 3.04Å; W247-L282 HydrophobicContact CE3-CD1 3.87Å; W247-L282 HydrophobicContact CZ3-CD1 4.39Å | ||
| 248 | S | 97.9 | Very high | 97.8 | Very high | 50 Ų | 50 | 62.4 Ų | 62.4 | 35% | 0.35 | 33% | 0.333 | S | S | . | . | trans | -67.3 | 118.4 | -178.7 | -176.9 | 0 | 0 | 0 | 0 | 111.7 | R199 N246 Q250 T280 | R199-S248 WeakPolarHBondContact CD-O 3.26Å; R199-S248 PolarHBondContact NE-O 2.86Å; N246-S248 VanDerWaalsContact OD1-CB 3.3Å; N246-S248 WeakPolarHBondContact OD1-CB 3.37Å; N246-S248 PolarHBondContact OD1-N 2.8Å; S248-Q250 VanDerWaalsContact C-N 3.28Å; S248-Q250 PolarHBondContact OG-N 3.45Å; S248-T280 WeakPolarHBondContact O-CG2 3.34Å | ||
| 249 | E | 96.6 | Very high | 97.8 | Very high | 91 Ų | 91 | 62.5 Ų | 62.5 | 43% | 0.425 | 33% | 0.333 | S | S | . | . | trans | -83.5 | -2.9 | 170.6 | -63.2 | -174 | -159.9 | 0 | 0 | 112.6 | R38 W247 L282 | R38-E249 IonicContact CZ-OE1 3.84Å; R38-E249 IonicContact CZ-OE2 3.79Å; R38-E249 IonicContact NH1-OE1 2.78Å; R38-E249 IonicContact NH1-OE2 3.65Å; R38-E249 PolarHBondContact NH1-OE2 3.25Å; R38-E249 IonicContact NH2-OE1 2.79Å; R38-E249 PolarHBondContact NH2-OE1 3.02Å; R38-E249 IonicContact NH2-OE2 2.73Å; R38-E249 PolarHBondContact NH2-OE2 3.32Å; W247-E249 PolarHBondContact O-N 3.04Å; E249-L282 HydrophobicContact CG-CD1 3.95Å; E249-L282 HydrophobicContact CG-CG 4.25Å | ||
| 250 | Q | 97.9 | Very high | 97.8 | Very high | 145 Ų | 145 | 65.3 Ų | 65.3 | 68% | 0.678 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -83.8 | 146 | -179.5 | -61.9 | -60.5 | -34.6 | 0 | 0 | 111.5 | R199 S248 | R199-Q250 PolarHBondContact NH2-O 3.37Å; S248-Q250 VanDerWaalsContact C-N 3.28Å; S248-Q250 PolarHBondContact OG-N 3.45Å |
| 251 | N | 98.3 | Very high | 97.8 | Very high | 77 Ų | 77 | 70.8 Ų | 70.8 | 41% | 0.412 | 36% | 0.363 | S | S | . | . | trans | -67.5 | 146.4 | 169.6 | -66.3 | -31.3 | 0 | 0 | 0 | 110.4 | D278 T280 | N251-D278 HydrophobicContact CB-CB 4.37Å; N251-D278 VanDerWaalsContact ND2-CB 3.29Å; N251-D278 WeakPolarHBondContact ND2-CB 3.47Å; N251-D278 PolarHBondContact ND2-O 2.88Å; N251-T280 WeakPolarHBondContact OD1-CB 3.42Å; N251-T280 PolarHBondContact OD1-N 3.28Å; N251-T280 PolarHBondContact OD1-OG1 3.33Å | ||
| 252 | N | 97.9 | Very high | 97.8 | Very high | 67 Ų | 67 | 72.6 Ų | 72.6 | 36% | 0.358 | 38% | 0.375 | S | S | . | . | trans | -120.7 | 131.5 | 179 | 177.3 | -80.6 | 0 | 0 | 0 | 109.6 | Q201 T254 D255 H256 | Q201-N252 PolarHBondContact NE2-O 3.5Å; N252-T254 WeakPolarHBondContact OD1-CA 3.35Å; N252-T254 WeakPolarHBondContact OD1-CB 3.16Å; N252-T254 PolarHBondContact OD1-N 3.12Å; N252-D255 HydrophobicContact CB-CB 4.13Å; N252-D255 PolarHBondContact O-N 3.05Å; N252-D255 PolarHBondContact OD1-N 2.92Å; N252-H256 PolarHBondContact O-N 3.14Å | ||
| 253 | S | 98 | Very high | 97.9 | Very high | 81 Ų | 81 | 71.6 Ų | 71.6 | 57% | 0.566 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -68.4 | -36.4 | -177.4 | 54 | 0 | 0 | 0 | 0 | 112.8 | H256 E257 | S253-H256 WeakPolarHBondContact O-CB 3.14Å; S253-H256 PolarHBondContact O-N 2.83Å; S253-E257 WeakPolarHBondContact O-CB 3.36Å; S253-E257 WeakPolarHBondContact O-CG 3.44Å; S253-E257 PolarHBondContact O-N 3.09Å |
| 254 | T | 98.2 | Very high | 98 | Very high | 77 Ų | 77 | 69.5 Ų | 69.5 | 47% | 0.472 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.1 | -42.2 | 175.8 | -51.4 | 0 | 0 | 0 | 0 | 111.4 | N252 E257 N258 | N252-T254 WeakPolarHBondContact OD1-CA 3.35Å; N252-T254 WeakPolarHBondContact OD1-CB 3.16Å; N252-T254 PolarHBondContact OD1-N 3.12Å; T254-E257 PolarHBondContact O-N 3.07Å; T254-N258 WeakPolarHBondContact O-CB 3.37Å; T254-N258 VanDerWaalsContact O-CG 3.22Å; T254-N258 PolarHBondContact O-N 3.28Å; T254-N258 PolarHBondContact O-ND2 3.1Å; T254-N258 VanDerWaalsContact O-ND2 3.13Å |
| 255 | D | 98.3 | Very high | 98 | Very high | 17 Ų | 17 | 70.6 Ų | 70.6 | 9% | 0.091 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 173.7 | -73.6 | -26.7 | 0 | 0 | 0 | 111.3 | R199 Q201 V241 Q243 N252 N258 I259 | R199-D255 IonicContact CZ-OD2 3.43Å; R199-D255 IonicContact NH1-OD2 3.7Å; R199-D255 PolarHBondContact NH1-OD2 3.41Å; R199-D255 IonicContact NH2-OD2 3.92Å; Q201-D255 HydrophobicContact CB-CB 4.47Å; V241-D255 HydrophobicContact CG2-CB 4.19Å; Q243-D255 PolarHBondContact NE2-OD1 2.8Å; Q243-D255 VanDerWaalsContact NE2-OD1 3.12Å; Q243-D255 PolarHBondContact NE2-OD2 2.88Å; N252-D255 HydrophobicContact CB-CB 4.13Å; N252-D255 PolarHBondContact O-N 3.05Å; N252-D255 PolarHBondContact OD1-N 2.92Å; D255-N258 PolarHBondContact O-N 2.83Å; D255-I259 WeakPolarHBondContact O-CB 3.43Å; D255-I259 WeakPolarHBondContact O-CD1 3.37Å; D255-I259 WeakPolarHBondContact O-CG1 3.32Å; D255-I259 PolarHBondContact O-N 2.78Å |
| 256 | H | 98.6 | Very high | 98 | Very high | 47 Ų | 47 | 69.7 Ų | 69.7 | 22% | 0.218 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -57.1 | -52.7 | 175.1 | 175.2 | 101.7 | 0 | 0 | 0 | 111.6 | N252 S253 N258 I259 W260 D278 | N252-H256 PolarHBondContact O-N 3.14Å; S253-H256 WeakPolarHBondContact O-CB 3.14Å; S253-H256 PolarHBondContact O-N 2.83Å; H256-N258 VanDerWaalsContact C-N 3.29Å; H256-N258 PolarHBondContact O-N 3.05Å; H256-I259 PolarHBondContact O-N 3.25Å; H256-W260 WeakPolarHBondContact O-CB 3.45Å; H256-W260 PolarHBondContact O-N 3.09Å; H256-D278 IonicContact CE1-OD1 2.67Å; H256-D278 IonicContact CE1-OD2 2.91Å; H256-D278 PolarHBondContact CE1-OD2 3.01Å; H256-D278 IonicContact CG-OD1 3.56Å; H256-D278 IonicContact ND1-OD1 3.64Å; H256-D278 PolarHBondContact ND1-OD1 2.75Å; H256-D278 IonicContact ND1-OD2 2.76Å; H256-D278 PolarHBondContact ND1-OD2 3.05Å |
| 257 | E | 98.3 | Very high | 98 | Very high | 120 Ų | 120 | 68.9 Ų | 68.9 | 56% | 0.561 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -58.6 | -42 | -179.9 | -74.7 | 171.3 | -161.5 | 0 | 0 | 111.5 | S253 T254 W260 K261 | S253-E257 WeakPolarHBondContact O-CB 3.36Å; S253-E257 WeakPolarHBondContact O-CG 3.44Å; S253-E257 PolarHBondContact O-N 3.09Å; T254-E257 PolarHBondContact O-N 3.07Å; E257-W260 PolarHBondContact O-N 3.24Å; E257-K261 WeakPolarHBondContact O-CB 3.13Å; E257-K261 PolarHBondContact O-N 3.16Å |
| 258 | N | 97.9 | Very high | 98 | Very high | 84 Ų | 84 | 65.5 Ų | 65.5 | 45% | 0.449 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.9 | -46.1 | 177.9 | -75.2 | -29.3 | 0 | 0 | 0 | 112.3 | T254 D255 H256 W260 T262 | T254-N258 WeakPolarHBondContact O-CB 3.37Å; T254-N258 VanDerWaalsContact O-CG 3.22Å; T254-N258 PolarHBondContact O-N 3.28Å; T254-N258 PolarHBondContact O-ND2 3.1Å; T254-N258 VanDerWaalsContact O-ND2 3.13Å; D255-N258 PolarHBondContact O-N 2.83Å; H256-N258 VanDerWaalsContact C-N 3.29Å; H256-N258 PolarHBondContact O-N 3.05Å; N258-W260 VanDerWaalsContact C-N 3.33Å; N258-W260 PolarHBondContact O-N 2.81Å; N258-T262 WeakPolarHBondContact O-CB 3.45Å; N258-T262 WeakPolarHBondContact O-CG2 3.4Å; N258-T262 PolarHBondContact O-N 3.13Å; N258-T262 PolarHBondContact O-OG1 3.43Å |
| 259 | I | 98.4 | Very high | 98 | Very high | 2 Ų | 2 | 64.7 Ų | 64.7 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57.1 | -50.8 | 175 | -70.7 | 163.3 | 0 | 0 | 0 | 109.3 | Q201 V203 V238 V241 D255 H256 T262 A263 | Q201-I259 HydrophobicContact CB-CD1 4.06Å; Q201-I259 HydrophobicContact CG-CD1 4.22Å; Q201-I259 VanDerWaalsContact O-CD1 3.25Å; Q201-I259 WeakPolarHBondContact O-CD1 3.44Å; V203-I259 HydrophobicContact CG2-CB 4.44Å; V203-I259 HydrophobicContact CG2-CG2 3.92Å; V238-I259 HydrophobicContact CB-CG2 4.33Å; V238-I259 HydrophobicContact CG1-CG2 3.72Å; V241-I259 HydrophobicContact CB-CD1 4.48Å; V241-I259 HydrophobicContact CG2-CD1 3.76Å; V241-I259 HydrophobicContact CG2-CG1 3.76Å; D255-I259 WeakPolarHBondContact O-CB 3.43Å; D255-I259 WeakPolarHBondContact O-CD1 3.37Å; D255-I259 WeakPolarHBondContact O-CG1 3.32Å; D255-I259 PolarHBondContact O-N 2.78Å; H256-I259 PolarHBondContact O-N 3.25Å; I259-T262 PolarHBondContact O-OG1 3.04Å; I259-A263 WeakPolarHBondContact O-CB 3.43Å; I259-A263 PolarHBondContact O-N 3.26Å |
| 260 | W | 98.4 | Very high | 98.1 | Very high | 59 Ų | 59 | 60.3 Ų | 60.3 | 22% | 0.223 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.2 | -46.8 | -175.6 | -170 | -118.6 | 0 | 0 | 0 | 112.5 | V205 H256 E257 N258 A263 C264 L270 A273 V275 | V205-W260 HydrophobicContact CG1-CH2 4.23Å; V205-W260 HydrophobicContact CG1-CZ3 3.73Å; H256-W260 WeakPolarHBondContact O-CB 3.45Å; H256-W260 PolarHBondContact O-N 3.09Å; E257-W260 PolarHBondContact O-N 3.24Å; N258-W260 VanDerWaalsContact C-N 3.33Å; N258-W260 PolarHBondContact O-N 2.81Å; W260-A263 PolarHBondContact O-N 2.94Å; W260-C264 VanDerWaalsContact CE2-SG 3.57Å; W260-C264 WeakPolarHBondContact O-CB 3.3Å; W260-C264 PolarHBondContact O-N 3.16Å; W260-C264 PolarHBondContact O-SG 3.2Å; W260-C264 VanDerWaalsContact O-SG 3.33Å; W260-L270 HydrophobicContact CH2-CB 4.18Å; W260-L270 WeakPolarHBondContact CH2-O 3.32Å; W260-L270 VanDerWaalsContact CZ2-O 3.31Å; W260-L270 WeakPolarHBondContact CZ2-O 3.3Å; W260-L270 HydrophobicContact CZ3-CB 4.44Å; W260-A273 HydrophobicContact CH2-CB 4.33Å; W260-V275 HydrophobicContact CH2-CG2 4.34Å; W260-V275 HydrophobicContact CZ3-CG2 4.42Å |
| 261 | K | 98.1 | Very high | 98 | Very high | 130 Ų | 130 | 60.1 Ų | 60.1 | 57% | 0.565 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -59.6 | -50.3 | 178.9 | 179.3 | -178.6 | 176.6 | -177.1 | 0 | 111.6 | E257 C264 Q265 | E257-K261 WeakPolarHBondContact O-CB 3.13Å; E257-K261 PolarHBondContact O-N 3.16Å; K261-C264 PolarHBondContact O-N 3.13Å; K261-Q265 VanDerWaalsContact O-CG 3.31Å; K261-Q265 WeakPolarHBondContact O-CG 3.39Å; K261-Q265 PolarHBondContact O-N 3.02Å; K261-Q265 VanDerWaalsContact O-N 3.1Å |
| 262 | T | 97.1 | Very high | 98 | Very high | 47 Ų | 47 | 63.9 Ų | 63.9 | 29% | 0.288 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -70.1 | -36.3 | -177.3 | 55.7 | 0 | 0 | 0 | 0 | 111.9 | N258 I259 Q265 L266 | N258-T262 WeakPolarHBondContact O-CB 3.45Å; N258-T262 WeakPolarHBondContact O-CG2 3.4Å; N258-T262 PolarHBondContact O-N 3.13Å; N258-T262 PolarHBondContact O-OG1 3.43Å; I259-T262 PolarHBondContact O-OG1 3.04Å; T262-Q265 WeakPolarHBondContact O-CB 3.44Å; T262-Q265 PolarHBondContact O-N 2.65Å; T262-L266 PolarHBondContact O-N 2.76Å |
| 263 | A | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.3 | -41.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V238 I259 W260 Q265 L266 E267 L270 | V238-A263 HydrophobicContact CG1-CB 3.17Å; I259-A263 WeakPolarHBondContact O-CB 3.43Å; I259-A263 PolarHBondContact O-N 3.26Å; W260-A263 PolarHBondContact O-N 2.94Å; A263-Q265 PolarHBondContact O-N 3.41Å; A263-L266 PolarHBondContact O-N 3Å; A263-L266 VanDerWaalsContact O-N 3.15Å; A263-E267 PolarHBondContact O-N 3.06Å; A263-L270 HydrophobicContact CB-CD1 3.82Å |
| 264 | C | 98.2 | Very high | 98 | Very high | 12 Ų | 12 | 64.9 Ų | 64.9 | 8% | 0.081 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.4 | -20.7 | 175.4 | -73 | 0 | 0 | 0 | 0 | 113.5 | W260 K261 P268 K271 | W260-C264 VanDerWaalsContact CE2-SG 3.57Å; W260-C264 WeakPolarHBondContact O-CB 3.3Å; W260-C264 PolarHBondContact O-N 3.16Å; W260-C264 PolarHBondContact O-SG 3.2Å; W260-C264 VanDerWaalsContact O-SG 3.33Å; K261-C264 PolarHBondContact O-N 3.13Å; C264-P268 WeakPolarHBondContact O-CA 3.28Å; C264-K271 HydrophobicContact CB-CG 4.2Å |
| 265 | Q | 97.2 | Very high | 98 | Very high | 135 Ų | 135 | 64 Ų | 64 | 63% | 0.631 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -75 | -39.8 | 169 | -74.4 | 172.4 | -10.4 | 0 | 0 | 111.3 | K261 T262 A263 | K261-Q265 VanDerWaalsContact O-CG 3.31Å; K261-Q265 WeakPolarHBondContact O-CG 3.39Å; K261-Q265 PolarHBondContact O-N 3.02Å; K261-Q265 VanDerWaalsContact O-N 3.1Å; T262-Q265 WeakPolarHBondContact O-CB 3.44Å; T262-Q265 PolarHBondContact O-N 2.65Å; A263-Q265 PolarHBondContact O-N 3.41Å |
| 266 | L | 97.8 | Very high | 98 | Very high | 20 Ų | 20 | 66.2 Ų | 66.2 | 11% | 0.105 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -71.4 | -43.3 | 178 | 179 | 62.4 | 0 | 0 | 0 | 112.7 | L97 F125 Y128 I214 T216 P227 I229 T262 A263 | L97-L266 HydrophobicContact CD1-CD1 4.03Å; F125-L266 HydrophobicContact CD1-CD1 4.38Å; Y128-L266 HydrophobicContact CE2-CD1 3.81Å; I214-L266 HydrophobicContact CB-CD2 4.41Å; I214-L266 HydrophobicContact CG2-CD1 4.13Å; I214-L266 HydrophobicContact CG2-CD2 3.79Å; I214-L266 HydrophobicContact CG2-CG 4.16Å; T216-L266 HydrophobicContact CG2-CD1 3.83Å; T216-L266 HydrophobicContact CG2-CD2 3.61Å; T216-L266 HydrophobicContact CG2-CG 4.38Å; P227-L266 HydrophobicContact CB-CD2 4.08Å; P227-L266 HydrophobicContact CG-CD2 4.2Å; I229-L266 HydrophobicContact CD1-CD2 3.95Å; I229-L266 HydrophobicContact CD1-CG 4.27Å; I229-L266 HydrophobicContact CG1-CD2 4.43Å; T262-L266 PolarHBondContact O-N 2.76Å; A263-L266 PolarHBondContact O-N 3Å; A263-L266 VanDerWaalsContact O-N 3.15Å |
| 267 | E | 98.1 | Very high | 97.9 | Very high | 42 Ų | 42 | 67.2 Ų | 67.2 | 20% | 0.196 | 33% | 0.328 | C | S | . | . | trans | -132.4 | 89.6 | -178.7 | 177 | 45.7 | -105.8 | 0 | 0 | 109.4 | L210 I229 A263 S269 L270 | L210-E267 HydrophobicContact CD1-CG 4.26Å; L210-E267 HydrophobicContact CD2-CG 3.67Å; I229-E267 HydrophobicContact CD1-CB 3.45Å; I229-E267 VanDerWaalsContact CD1-CB 3.45Å; I229-E267 HydrophobicContact CD1-CG 4.29Å; A263-E267 PolarHBondContact O-N 3.06Å; E267-S269 VanDerWaalsContact CD-OG 3.25Å; E267-S269 PolarHBondContact O-N 3.33Å; E267-S269 VanDerWaalsContact O-N 3.12Å; E267-S269 WeakPolarHBondContact OE1-CB 3.21Å; E267-S269 PolarHBondContact OE1-N 2.9Å; E267-S269 PolarHBondContact OE1-OG 2.87Å; E267-L270 HydrophobicContact CB-CD1 4.15Å; E267-L270 HydrophobicContact CB-CG 4.27Å; E267-L270 HydrophobicContact CG-CD1 4.41Å; E267-L270 HydrophobicContact CG-CG 4.03Å; E267-L270 WeakPolarHBondContact O-CB 3.17Å; E267-L270 PolarHBondContact O-N 3.49Å; E267-L270 VanDerWaalsContact O-N 3.09Å | ||
| 268 | P | 98 | Very high | 97.9 | Very high | 73 Ų | 73 | 63.6 Ų | 63.6 | 47% | 0.474 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -58.6 | -24.8 | -175.5 | -28.2 | 36.7 | 0 | 0 | 0 | 115.1 | C264 L270 K271 | C264-P268 WeakPolarHBondContact O-CA 3.28Å; P268-L270 PolarHBondContact O-N 2.96Å; P268-K271 WeakPolarHBondContact O-CG 3.41Å; P268-K271 PolarHBondContact O-N 3.24Å |
| 269 | S | 98.1 | Very high | 97.9 | Very high | 32 Ų | 32 | 62.2 Ų | 62.2 | 22% | 0.224 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -65.3 | -20.2 | 178.2 | 70.8 | 0 | 0 | 0 | 0 | 113.2 | W209 E267 K271 H272 | W209-S269 PolarHBondContact NE1-OG 2.89Å; E267-S269 VanDerWaalsContact CD-OG 3.25Å; E267-S269 PolarHBondContact O-N 3.33Å; E267-S269 VanDerWaalsContact O-N 3.12Å; E267-S269 WeakPolarHBondContact OE1-CB 3.21Å; E267-S269 PolarHBondContact OE1-N 2.9Å; E267-S269 PolarHBondContact OE1-OG 2.87Å; S269-K271 PolarHBondContact O-N 3.46Å; S269-K271 VanDerWaalsContact O-N 3.12Å; S269-H272 PolarHBondContact O-N 3.49Å; S269-H272 VanDerWaalsContact O-N 3.1Å |
| 270 | L | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -59.2 | -22.2 | 175.3 | -78.2 | 176.2 | 0 | 0 | 0 | 113.3 | V205 A207 L210 I229 V238 W260 A263 E267 P268 H272 A273 | V205-L270 HydrophobicContact CG2-CD2 3.93Å; A207-L270 HydrophobicContact CB-CD2 4.15Å; L210-L270 HydrophobicContact CD1-CD2 3.63Å; L210-L270 HydrophobicContact CD1-CG 4.18Å; I229-L270 HydrophobicContact CD1-CD1 3.68Å; I229-L270 HydrophobicContact CG1-CD1 4.2Å; V238-L270 HydrophobicContact CG2-CD1 4.23Å; V238-L270 HydrophobicContact CG2-CD2 4.42Å; W260-L270 HydrophobicContact CH2-CB 4.18Å; W260-L270 WeakPolarHBondContact CH2-O 3.32Å; W260-L270 VanDerWaalsContact CZ2-O 3.31Å; W260-L270 WeakPolarHBondContact CZ2-O 3.3Å; W260-L270 HydrophobicContact CZ3-CB 4.44Å; A263-L270 HydrophobicContact CB-CD1 3.82Å; E267-L270 HydrophobicContact CB-CD1 4.15Å; E267-L270 HydrophobicContact CB-CG 4.27Å; E267-L270 HydrophobicContact CG-CD1 4.41Å; E267-L270 HydrophobicContact CG-CG 4.03Å; E267-L270 WeakPolarHBondContact O-CB 3.17Å; E267-L270 PolarHBondContact O-N 3.49Å; E267-L270 VanDerWaalsContact O-N 3.09Å; P268-L270 PolarHBondContact O-N 2.96Å; L270-H272 PolarHBondContact O-N 2.94Å; L270-A273 HydrophobicContact CD2-CB 4.16Å; L270-A273 VanDerWaalsContact O-CB 3.28Å; L270-A273 WeakPolarHBondContact O-CB 3.16Å; L270-A273 PolarHBondContact O-N 3.07Å |
| 271 | K | 97.3 | Very high | 97.9 | Very high | 141 Ų | 141 | 60.2 Ų | 60.2 | 61% | 0.613 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -57.6 | -21.6 | 175 | -65.6 | 175.6 | -174.2 | 176.2 | 0 | 113.4 | C264 P268 S269 | C264-K271 HydrophobicContact CB-CG 4.2Å; P268-K271 WeakPolarHBondContact O-CG 3.41Å; P268-K271 PolarHBondContact O-N 3.24Å; S269-K271 PolarHBondContact O-N 3.46Å; S269-K271 VanDerWaalsContact O-N 3.12Å |
| 272 | H | 96.9 | Very high | 97.9 | Very high | 156 Ų | 156 | 54.4 Ų | 54.4 | 72% | 0.722 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -97.8 | -5.3 | 177.7 | -53.3 | -60.4 | 0 | 0 | 0 | 113.1 | W209 S269 L270 | W209-H272 HydrophobicContact CH2-CB 4.44Å; S269-H272 PolarHBondContact O-N 3.49Å; S269-H272 VanDerWaalsContact O-N 3.1Å; L270-H272 PolarHBondContact O-N 2.94Å |
| 273 | A | 98.4 | Very high | 98 | Very high | 12 Ų | 12 | 53.8 Ų | 53.8 | 10% | 0.099 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -76.9 | 141.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | V205 D206 A207 W209 W260 L270 | V205-A273 HydrophobicContact CB-CB 4.13Å; V205-A273 HydrophobicContact CG2-CB 4.17Å; D206-A273 WeakPolarHBondContact O-CB 3.44Å; A207-A273 HydrophobicContact CB-CB 3.8Å; W209-A273 HydrophobicContact CH2-CB 4.15Å; W209-A273 HydrophobicContact CZ2-CB 4.1Å; W260-A273 HydrophobicContact CH2-CB 4.33Å; L270-A273 HydrophobicContact CD2-CB 4.16Å; L270-A273 VanDerWaalsContact O-CB 3.28Å; L270-A273 WeakPolarHBondContact O-CB 3.16Å; L270-A273 PolarHBondContact O-N 3.07Å |
| 274 | R | 98.4 | Very high | 98 | Very high | 156 Ų | 156 | 54.5 Ų | 54.5 | 59% | 0.589 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 124.1 | 173.5 | 178.8 | 178.1 | 61.6 | 110.8 | 2.1 | 109.2 | V205 D206 | V205-R274 WeakPolarHBondContact CA-O 3.17Å; D206-R274 HydrophobicContact CB-CB 4.26Å; D206-R274 PolarHBondContact N-O 3.27Å; D206-R274 IonicContact OD2-CZ 3.26Å; D206-R274 IonicContact OD2-NE 2.92Å; D206-R274 IonicContact OD2-NH2 2.7Å; D206-R274 PolarHBondContact OD2-NH2 3.03Å |
| 275 | V | 98.4 | Very high | 98 | Very high | 60 Ų | 60 | 55.1 Ų | 55.1 | 36% | 0.364 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 131.2 | 169.8 | 177.6 | 0 | 0 | 0 | 0 | 109.4 | V203 V205 W260 | V203-V275 HydrophobicContact CG1-CB 4.48Å; V203-V275 HydrophobicContact CG1-CG1 3.66Å; V203-V275 HydrophobicContact CG1-CG2 4.15Å; V205-V275 HydrophobicContact CG1-CG2 4.17Å; W260-V275 HydrophobicContact CH2-CG2 4.34Å; W260-V275 HydrophobicContact CZ3-CG2 4.42Å |
| 276 | V | 98.2 | Very high | 98 | Very high | 63 Ų | 63 | 50.9 Ų | 50.9 | 38% | 0.382 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | -44.5 | -177.2 | 179.2 | 0 | 0 | 0 | 0 | 111.5 | K204 D206 L235 | K204-V276 WeakPolarHBondContact O-CB 3.24Å; K204-V276 PolarHBondContact O-N 3.32Å; D206-V276 HydrophobicContact CB-CG2 4.12Å; L235-V276 HydrophobicContact CD1-CB 4.26Å; L235-V276 HydrophobicContact CD1-CG1 3.92Å; L235-V276 HydrophobicContact CD2-CB 4.48Å; L235-V276 HydrophobicContact CD2-CG2 3.89Å |
| 277 | E | 96.6 | Very high | 97.8 | Very high | 68 Ų | 68 | 54.3 Ų | 54.3 | 32% | 0.318 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 140.6 | -173.2 | 179.5 | -176.4 | -173.3 | 0 | 0 | 110.6 | K142 V203 K204 | K142-E277 IonicContact NZ-OE1 3.82Å; K142-E277 IonicContact NZ-OE2 4Å; K142-E277 PolarHBondContact NZ-OE2 3.34Å; V203-E277 CarbonylContact C-O 3.49Å; K204-E277 HydrophobicContact CB-CB 4.19Å; K204-E277 PolarHBondContact N-O 2.88Å; K204-E277 PolarHBondContact O-N 2.98Å |
| 278 | D | 97.7 | Very high | 97.7 | Very high | 44 Ų | 44 | 58.1 Ų | 58.1 | 24% | 0.235 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 134.1 | 160.2 | -82 | -95.1 | 0 | 0 | 0 | 109.3 | I202 N251 H256 | I202-D278 WeakPolarHBondContact O-CA 3.29Å; N251-D278 HydrophobicContact CB-CB 4.37Å; N251-D278 VanDerWaalsContact ND2-CB 3.29Å; N251-D278 WeakPolarHBondContact ND2-CB 3.47Å; N251-D278 PolarHBondContact ND2-O 2.88Å; H256-D278 IonicContact CE1-OD1 2.67Å; H256-D278 IonicContact CE1-OD2 2.91Å; H256-D278 PolarHBondContact CE1-OD2 3.01Å; H256-D278 IonicContact CG-OD1 3.56Å; H256-D278 IonicContact ND1-OD1 3.64Å; H256-D278 PolarHBondContact ND1-OD1 2.75Å; H256-D278 IonicContact ND1-OD2 2.76Å; H256-D278 PolarHBondContact ND1-OD2 3.05Å |
| 279 | W | 98.1 | Very high | 97.7 | Very high | 54 Ų | 54 | 55.1 Ų | 55.1 | 21% | 0.205 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 138 | 179.1 | -175.3 | 90.8 | 0 | 0 | 0 | 111.7 | T44 G47 Q201 I202 G281 | T44-W279 HydrophobicContact CG2-CH2 4.38Å; G47-W279 VanDerWaalsContact CA-CH2 3.47Å; G47-W279 VanDerWaalsContact CA-CZ2 3.46Å; Q201-W279 CarbonylContact C-O 3.55Å; Q201-W279 WeakPolarHBondContact CA-O 3.45Å; I202-W279 HydrophobicContact CD1-CB 4.26Å; I202-W279 HydrophobicContact CD1-CE3 3.92Å; I202-W279 HydrophobicContact CG1-CB 3.89Å; I202-W279 HydrophobicContact CG1-CE3 4.04Å; I202-W279 PolarHBondContact N-O 2.86Å; I202-W279 PolarHBondContact O-N 3.25Å; W279-G281 VanDerWaalsContact CH2-CA 3.41Å |
| 280 | T | 98.5 | Very high | 97.7 | Very high | 13 Ų | 13 | 54.7 Ų | 54.7 | 8% | 0.08 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 139.1 | 175.6 | -67.5 | 0 | 0 | 0 | 0 | 110.3 | R199 G200 S248 N251 | R199-T280 HydrophobicContact CG-CG2 3.88Å; R199-T280 PolarHBondContact NH2-OG1 3.3Å; G200-T280 WeakPolarHBondContact O-CA 2.9Å; S248-T280 WeakPolarHBondContact O-CG2 3.34Å; N251-T280 WeakPolarHBondContact OD1-CB 3.42Å; N251-T280 PolarHBondContact OD1-N 3.28Å; N251-T280 PolarHBondContact OD1-OG1 3.33Å |
| 281 | G | 97.9 | Very high | 97.8 | Very high | 7 Ų | 7 | 55.8 Ų | 55.8 | 7% | 0.072 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 159.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | R199 G200 W279 | R199-G281 WeakPolarHBondContact CA-O 3.25Å; G200-G281 PolarHBondContact N-O 3.29Å; G200-G281 PolarHBondContact O-N 2.9Å; W279-G281 VanDerWaalsContact CH2-CA 3.41Å |
| 282 | L | 98.5 | Very high | 97.8 | Very high | 7 Ų | 7 | 53.2 Ų | 53.2 | 4% | 0.037 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 108.2 | -177.3 | -53.8 | -177.2 | 0 | 0 | 0 | 109.7 | T44 I184 P197 R199 W247 E249 | T44-L282 WeakPolarHBondContact CG2-O 3.47Å; T44-L282 PolarHBondContact OG1-O 2.8Å; I184-L282 HydrophobicContact CG1-CB 4.42Å; I184-L282 HydrophobicContact CG2-CB 4.2Å; P197-L282 HydrophobicContact CB-CB 4.22Å; P197-L282 HydrophobicContact CB-CD1 4.5Å; P197-L282 HydrophobicContact CB-CD2 4.29Å; R199-L282 HydrophobicContact CB-CD2 3.86Å; R199-L282 HydrophobicContact CG-CD2 4.06Å; W247-L282 HydrophobicContact CE3-CD1 3.87Å; W247-L282 HydrophobicContact CZ3-CD1 4.39Å; E249-L282 HydrophobicContact CG-CD1 3.95Å; E249-L282 HydrophobicContact CG-CG 4.25Å |
| 283 | R | 98.4 | Very high | 97.9 | Very high | 35 Ų | 35 | 48.5 Ų | 48.5 | 13% | 0.132 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 134.7 | 175.1 | -63.8 | 172.8 | -172.5 | 98.6 | -3.8 | 109.6 | P197 G198 V241 V285 | P197-R283 WeakPolarHBondContact CA-O 3.48Å; G198-R283 PolarHBondContact N-O 3.18Å; G198-R283 VanDerWaalsContact O-CB 3.29Å; G198-R283 WeakPolarHBondContact O-CB 3.44Å; G198-R283 WeakPolarHBondContact O-CG 3.49Å; G198-R283 PolarHBondContact O-N 3.09Å; G198-R283 PolarHBondContact O-NH1 3.22Å; V241-R283 PolarHBondContact O-NH1 3.36Å; R283-V285 VanDerWaalsContact C-N 3.29Å; R283-V285 HydrophobicContact CB-CG2 4.14Å; R283-V285 PolarHBondContact O-N 3.48Å |
| 284 | P | 98.4 | Very high | 97.9 | Very high | 15 Ų | 15 | 50.6 Ų | 50.6 | 10% | 0.097 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 75.3 | 177 | 31.8 | -36.1 | 0 | 0 | 0 | 111.2 | I184 L195 G310 H311 G312 | I184-P284 HydrophobicContact CB-CB 4.05Å; L195-P284 HydrophobicContact CD1-CB 4.07Å; P284-G310 CarbonylContact O-C 3.09Å; P284-G310 WeakPolarHBondContact O-CA 3.29Å; P284-H311 PolarHBondContact O-N 3.33Å; P284-G312 WeakPolarHBondContact O-CA 3.4Å; P284-G312 PolarHBondContact O-N 3.31Å |
| 285 | V | 98.3 | Very high | 97.8 | Very high | 24 Ų | 24 | 46.1 Ų | 46.1 | 15% | 0.145 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 131.8 | -175.2 | -176.1 | 0 | 0 | 0 | 0 | 109.9 | L195 T196 F242 L244 R283 | L195-V285 CarbonylContact C-O 3.53Å; L195-V285 WeakPolarHBondContact CA-O 3.31Å; T196-V285 HydrophobicContact CG2-CB 3.96Å; T196-V285 HydrophobicContact CG2-CG1 4.24Å; T196-V285 PolarHBondContact N-O 3.37Å; T196-V285 WeakPolarHBondContact O-CA 3.48Å; T196-V285 VanDerWaalsContact O-CB 3.29Å; T196-V285 WeakPolarHBondContact O-CB 3.42Å; T196-V285 PolarHBondContact O-N 2.59Å; F242-V285 HydrophobicContact CE1-CG2 3.93Å; F242-V285 HydrophobicContact CZ-CG2 3.48Å; F242-V285 VanDerWaalsContact CZ-CG2 3.48Å; L244-V285 HydrophobicContact CD2-CB 4.11Å; L244-V285 HydrophobicContact CD2-CG1 3.91Å; L244-V285 HydrophobicContact CD2-CG2 4.05Å; R283-V285 VanDerWaalsContact C-N 3.29Å; R283-V285 HydrophobicContact CB-CG2 4.14Å; R283-V285 PolarHBondContact O-N 3.48Å |
| 286 | R | 97.4 | Very high | 97.6 | Very high | 47 Ų | 47 | 44.9 Ų | 44.9 | 18% | 0.177 | 23% | 0.227 | C | C | . | . | trans | -145.6 | 158.6 | 176.3 | -163.7 | 170.8 | -176.3 | -75.8 | -8.8 | 108.8 | D192 D194 L195 K288 | D192-R286 IonicContact OD1-NE 3.88Å; D192-R286 IonicContact OD1-NH2 2.63Å; D192-R286 IonicContact OD2-CZ 3.5Å; D192-R286 IonicContact OD2-NE 2.93Å; D192-R286 PolarHBondContact OD2-NE 3.21Å; D192-R286 IonicContact OD2-NH2 3.61Å; D194-R286 HydrophobicContact CB-CG 4.04Å; D194-R286 WeakPolarHBondContact O-CA 3.49Å; D194-R286 WeakPolarHBondContact OD2-CG 3.48Å; D194-R286 IonicContact OD2-CZ 3.36Å; D194-R286 IonicContact OD2-NE 2.76Å; D194-R286 IonicContact OD2-NH1 3.8Å; D194-R286 IonicContact OD2-NH2 2.99Å; L195-R286 HydrophobicContact CD1-CB 4.38Å; R286-K288 VanDerWaalsContact CD-O 3.32Å; R286-K288 WeakPolarHBondContact CD-O 3.48Å; R286-K288 VanDerWaalsContact CG-O 3.3Å; R286-K288 WeakPolarHBondContact CG-O 3.3Å; R286-K288 PolarHBondContact NH1-O 3.1Å; R286-K288 PolarHBondContact O-N 3.34Å | ||
| 287 | S | 94.6 | Very high | 97.4 | Very high | 91 Ų | 91 | 47.9 Ų | 47.9 | 64% | 0.636 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -59.6 | -34.1 | 177.7 | 67.6 | 0 | 0 | 0 | 0 | 113.1 | D194 | D194-S287 VanDerWaalsContact OD1-CB 3.3Å; D194-S287 WeakPolarHBondContact OD1-CB 3.22Å; D194-S287 PolarHBondContact OD1-N 3.44Å; D194-S287 PolarHBondContact OD1-OG 3.47Å; D194-S287 WeakPolarHBondContact OD2-CB 3.25Å; D194-S287 PolarHBondContact OD2-N 3.19Å; D194-S287 PolarHBondContact OD2-OG 2.81Å |
| 288 | K | 95.6 | Very high | 96.9 | Very high | 122 Ų | 122 | 46.4 Ų | 46.4 | 53% | 0.53 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -150.1 | 154.1 | 172.7 | 60.3 | -178.9 | 178.9 | 177.7 | 0 | 109.5 | R286 R290 | R286-K288 VanDerWaalsContact CD-O 3.32Å; R286-K288 WeakPolarHBondContact CD-O 3.48Å; R286-K288 VanDerWaalsContact CG-O 3.3Å; R286-K288 WeakPolarHBondContact CG-O 3.3Å; R286-K288 PolarHBondContact NH1-O 3.1Å; R286-K288 PolarHBondContact O-N 3.34Å; K288-R290 PolarHBondContact O-N 2.96Å |
| 289 | V | 98.2 | Very high | 96.2 | Very high | 10 Ų | 10 | 48 Ų | 48 | 6% | 0.061 | 26% | 0.26 | C | S | . | . | trans | -54.6 | 131.6 | 171.1 | 175.2 | 0 | 0 | 0 | 0 | 109.5 | E64 W67 L291 F314 | E64-V289 HydrophobicContact CG-CG2 4.36Å; E64-V289 PolarHBondContact OE1-N 3.36Å; W67-V289 HydrophobicContact CZ3-CB 4.28Å; W67-V289 HydrophobicContact CZ3-CG1 4.39Å; V289-L291 HydrophobicContact CG1-CB 4.04Å; V289-L291 PolarHBondContact O-N 2.9Å; V289-F314 HydrophobicContact CG2-CE2 4.21Å; V289-F314 HydrophobicContact CG2-CZ 4.43Å | ||
| 290 | R | 98.5 | Very high | 95.4 | Very high | 24 Ų | 24 | 49.7 Ų | 49.7 | 9% | 0.091 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 97.1 | 169.5 | -164.7 | -177.7 | -175.9 | -160.7 | -11.5 | 108 | K288 E292 E294 H307 N308 Y309 | K288-R290 PolarHBondContact O-N 2.96Å; R290-E292 HydrophobicContact CG-CG 4.21Å; R290-E292 IonicContact CZ-OE1 2.76Å; R290-E292 VanDerWaalsContact CZ-OE1 3.3Å; R290-E292 IonicContact NE-OE1 3.35Å; R290-E292 PolarHBondContact NE-OE1 2.93Å; R290-E292 IonicContact NH2-OE1 3.06Å; R290-E292 PolarHBondContact NH2-OE1 2.87Å; R290-E294 IonicContact CZ-OE2 3.81Å; R290-E294 IonicContact NH2-OE2 2.65Å; R290-E294 PolarHBondContact NH2-OE2 2.63Å; R290-H307 HydrophobicContact CG-CB 4.11Å; R290-H307 CarbonylContact O-C 3.57Å; R290-N308 VanDerWaalsContact O-CA 3.26Å; R290-N308 WeakPolarHBondContact O-CA 3.23Å; R290-N308 PolarHBondContact O-N 3.44Å; R290-Y309 HydrophobicContact CB-CE1 4.21Å; R290-Y309 HydrophobicContact CB-CE2 4.14Å; R290-Y309 WeakPolarHBondContact CD-OH 3.45Å; R290-Y309 HydrophobicContact CG-CE1 4.38Å; R290-Y309 PolarHBondContact N-O 3.39Å; R290-Y309 PolarHBondContact NH1-OH 3.38Å; R290-Y309 PolarHBondContact O-N 3.03Å; R290-Y309 VanDerWaalsContact O-N 3.16Å |
| 291 | L | 98.8 | Very high | 94.7 | Very high | 23 Ų | 23 | 51 Ų | 51 | 12% | 0.12 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 92.3 | 175.4 | -178.9 | 49.3 | 0 | 0 | 0 | 110.3 | W67 V289 I306 H307 N308 C322 E325 L329 | W67-L291 HydrophobicContact CH2-CB 4.02Å; W67-L291 HydrophobicContact CH2-CD2 3.81Å; W67-L291 HydrophobicContact CH2-CG 4.31Å; W67-L291 HydrophobicContact CZ2-CD2 3.74Å; W67-L291 HydrophobicContact CZ2-CG 4.43Å; W67-L291 HydrophobicContact CZ3-CD2 4.29Å; V289-L291 HydrophobicContact CG1-CB 4.04Å; V289-L291 PolarHBondContact O-N 2.9Å; L291-I306 HydrophobicContact CD1-CG2 4.36Å; L291-H307 VanDerWaalsContact CA-O 3.25Å; L291-H307 WeakPolarHBondContact CA-O 3.41Å; L291-H307 VanDerWaalsContact CD1-O 3.22Å; L291-H307 WeakPolarHBondContact CD1-O 3.35Å; L291-N308 HydrophobicContact CD1-CB 3.84Å; L291-C322 HydrophobicContact CD2-CB 3.83Å; L291-E325 HydrophobicContact CD2-CB 3.7Å; L291-E325 HydrophobicContact CD2-CG 3.54Å; L291-E325 HydrophobicContact CG-CB 4.48Å; L291-E325 HydrophobicContact CG-CG 3.85Å; L291-L329 HydrophobicContact CD1-CD1 4.22Å |
| 292 | E | 98.6 | Very high | 94.4 | Very high | 87 Ų | 87 | 54.2 Ų | 54.2 | 41% | 0.407 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 160.5 | -173.7 | 67.1 | -171.7 | -174 | 0 | 0 | 111.2 | R290 I306 H307 | R290-E292 HydrophobicContact CG-CG 4.21Å; R290-E292 IonicContact CZ-OE1 2.76Å; R290-E292 VanDerWaalsContact CZ-OE1 3.3Å; R290-E292 IonicContact NE-OE1 3.35Å; R290-E292 PolarHBondContact NE-OE1 2.93Å; R290-E292 IonicContact NH2-OE1 3.06Å; R290-E292 PolarHBondContact NH2-OE1 2.87Å; E292-I306 CarbonylContact O-C 3.47Å; E292-I306 WeakPolarHBondContact O-CA 3.48Å; E292-H307 PolarHBondContact N-O 3.49Å; E292-H307 PolarHBondContact O-N 2.86Å |
| 293 | R | 98.1 | Very high | 94.3 | Very high | 57 Ų | 57 | 54.2 Ų | 54.2 | 22% | 0.215 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 136.3 | 170.1 | 175.5 | -177.3 | 169.9 | -169.8 | -4.3 | 109.7 | E304 V305 I306 I333 Q336 | R293-E304 IonicContact CZ-OE1 3.69Å; R293-E304 IonicContact CZ-OE2 2.87Å; R293-E304 VanDerWaalsContact CZ-OE2 3.3Å; R293-E304 IonicContact NE-OE2 3.54Å; R293-E304 PolarHBondContact NE-OE2 2.93Å; R293-E304 IonicContact NH2-OE1 3.26Å; R293-E304 PolarHBondContact NH2-OE1 3.14Å; R293-E304 IonicContact NH2-OE2 3.53Å; R293-E304 PolarHBondContact NH2-OE2 3.39Å; R293-V305 CarbonylContact C-O 3.53Å; R293-V305 WeakPolarHBondContact CA-O 3.29Å; R293-I306 HydrophobicContact CB-CG1 4.35Å; R293-I333 HydrophobicContact CG-CD1 4.48Å; R293-I333 VanDerWaalsContact CZ-CG1 3.48Å; R293-Q336 VanDerWaalsContact CZ-OE1 3.26Å; R293-Q336 VanDerWaalsContact NH1-CD 3.32Å |
| 294 | E | 98.1 | Very high | 94.2 | Very high | 55 Ų | 55 | 53.3 Ų | 53.3 | 26% | 0.257 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 136.4 | 172.8 | -170.1 | 175.3 | 168.7 | 0 | 0 | 109.7 | Q190 R290 I296 V305 H307 | Q190-E294 PolarHBondContact NE2-OE1 3.35Å; Q190-E294 PolarHBondContact NE2-OE2 2.94Å; R290-E294 IonicContact CZ-OE2 3.81Å; R290-E294 IonicContact NH2-OE2 2.65Å; R290-E294 PolarHBondContact NH2-OE2 2.63Å; E294-I296 HydrophobicContact CG-CG1 3.86Å; E294-V305 PolarHBondContact N-O 3.37Å; E294-V305 PolarHBondContact O-N 3.15Å; E294-H307 IonicContact OE2-CD2 3.3Å; E294-H307 IonicContact OE2-CE1 3.87Å; E294-H307 IonicContact OE2-NE2 2.78Å; E294-H307 PolarHBondContact OE2-NE2 2.98Å; E294-H307 VanDerWaalsContact OE2-NE2 3.11Å |
| 295 | T | 96.9 | Very high | 94.2 | Very high | 63 Ų | 63 | 52.6 Ų | 52.6 | 39% | 0.387 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 104.2 | 173.1 | -57.5 | 0 | 0 | 0 | 0 | 108.3 | T302 I303 E304 | T295-T302 HydrophobicContact CG2-CG2 3.33Å; T295-I303 CarbonylContact C-O 3.26Å; T295-I303 WeakPolarHBondContact CA-O 3.46Å; T295-E304 PolarHBondContact OG1-OE1 3.41Å; T295-E304 PolarHBondContact OG1-OE2 2.8Å |
| 296 | I | 95.4 | Very high | 94.3 | Very high | 34 Ų | 34 | 51.5 Ų | 51.5 | 17% | 0.174 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 128.9 | -174.2 | -55.5 | 174.3 | 0 | 0 | 0 | 109.4 | F167 E294 I303 V305 | F167-I296 HydrophobicContact CD2-CD1 3.77Å; F167-I296 HydrophobicContact CE2-CD1 4.18Å; E294-I296 HydrophobicContact CG-CG1 3.86Å; I296-I303 HydrophobicContact CB-CB 4.31Å; I296-I303 PolarHBondContact N-O 2.9Å; I296-I303 PolarHBondContact O-N 3.08Å; I296-V305 HydrophobicContact CD1-CG2 3.82Å; I296-V305 HydrophobicContact CG1-CG2 4.43Å |
| 297 | Q | 93.4 | Very high | 94.3 | Very high | 125 Ų | 125 | 49.2 Ų | 49.2 | 58% | 0.584 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 119.8 | 169.4 | -60.4 | -57.6 | -36.6 | 0 | 0 | 108.9 | T302 | Q297-T302 PolarHBondContact NE2-OG1 2.81Å; Q297-T302 PolarHBondContact OE1-OG1 2.88Å |
| 298 | S | 86.5 | Confident | 94.5 | Very high | 38 Ų | 38 | 44.9 Ų | 44.9 | 27% | 0.266 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 99.9 | 178.8 | -168.6 | 0 | 0 | 0 | 0 | 109.5 | G300 S301 | S298-G300 PolarHBondContact O-N 2.53Å; S298-S301 PolarHBondContact N-O 3.12Å; S298-S301 PolarHBondContact O-N 3.02Å; S298-S301 VanDerWaalsContact O-N 3.12Å |
| 299 | G | 82.7 | Confident | 94.7 | Very high | 77 Ų | 77 | 39.1 Ų | 39.1 | 79% | 0.794 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | -128.5 | -168.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | S301 | G299-S301 VanDerWaalsContact C-N 3.34Š|
| 300 | G | 81.6 | Confident | 94.7 | Very high | 89 Ų | 89 | 38.8 Ų | 38.8 | 92% | 0.918 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 4.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | S298 | S298-G300 PolarHBondContact O-N 2.53Š|
| 301 | S | 82.8 | Confident | 94.7 | Very high | 42 Ų | 42 | 37.8 Ų | 37.8 | 29% | 0.294 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 139.5 | -177.7 | -64.4 | 0 | 0 | 0 | 0 | 111.9 | S298 G299 | S298-S301 PolarHBondContact N-O 3.12Å; S298-S301 PolarHBondContact O-N 3.02Å; S298-S301 VanDerWaalsContact O-N 3.12Å; G299-S301 VanDerWaalsContact C-N 3.34Å |
| 302 | T | 92 | Very high | 94.7 | Very high | 74 Ų | 74 | 37.1 Ų | 37.1 | 45% | 0.454 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 120 | 170.6 | -62.5 | 0 | 0 | 0 | 0 | 109.5 | T295 Q297 | T295-T302 HydrophobicContact CG2-CG2 3.33Å; Q297-T302 PolarHBondContact NE2-OG1 2.81Å; Q297-T302 PolarHBondContact OE1-OG1 2.88Å |
| 303 | I | 95.3 | Very high | 94.6 | Very high | 7 Ų | 7 | 34.2 Ų | 34.2 | 4% | 0.036 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 123.6 | -177.3 | -46.4 | -179.7 | 0 | 0 | 0 | 108.9 | F167 K168 I178 T295 I296 V305 | F167-I303 HydrophobicContact CB-CD1 4.37Å; F167-I303 HydrophobicContact CB-CG2 4.26Å; K168-I303 HydrophobicContact CB-CD1 4.32Å; I178-I303 HydrophobicContact CD1-CG2 3.66Å; T295-I303 CarbonylContact C-O 3.26Å; T295-I303 WeakPolarHBondContact CA-O 3.46Å; I296-I303 HydrophobicContact CB-CB 4.31Å; I296-I303 PolarHBondContact N-O 2.9Å; I296-I303 PolarHBondContact O-N 3.08Å; I303-V305 HydrophobicContact CG2-CG2 3.89Å |
| 304 | E | 97.7 | Very high | 94.5 | Very high | 16 Ų | 16 | 32.1 Ų | 32.1 | 8% | 0.075 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 117.4 | 174.3 | -66 | -71.5 | 179.6 | 0 | 0 | 109.7 | V177 I178 R293 T295 I333 | V177-E304 WeakPolarHBondContact CA-O 3.42Å; V177-E304 HydrophobicContact CG2-CB 4.43Å; I178-E304 PolarHBondContact N-O 3.01Å; R293-E304 IonicContact CZ-OE1 3.69Å; R293-E304 IonicContact CZ-OE2 2.87Å; R293-E304 VanDerWaalsContact CZ-OE2 3.3Å; R293-E304 IonicContact NE-OE2 3.54Å; R293-E304 PolarHBondContact NE-OE2 2.93Å; R293-E304 IonicContact NH2-OE1 3.26Å; R293-E304 PolarHBondContact NH2-OE1 3.14Å; R293-E304 IonicContact NH2-OE2 3.53Å; R293-E304 PolarHBondContact NH2-OE2 3.39Å; T295-E304 PolarHBondContact OG1-OE1 3.41Å; T295-E304 PolarHBondContact OG1-OE2 2.8Å; E304-I333 HydrophobicContact CB-CD1 4.34Å |
| 305 | V | 98.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 137.4 | -180 | -171.3 | 0 | 0 | 0 | 0 | 109.5 | F167 I178 N180 R293 E294 I296 I303 | F167-V305 HydrophobicContact CD1-CG2 4.5Å; F167-V305 HydrophobicContact CD2-CG2 4.24Å; F167-V305 HydrophobicContact CE1-CG1 4.28Å; F167-V305 HydrophobicContact CG-CG2 4.2Å; F167-V305 HydrophobicContact CZ-CG1 4.23Å; I178-V305 HydrophobicContact CB-CG2 4.34Å; I178-V305 HydrophobicContact CG2-CG1 4.5Å; I178-V305 CarbonylContact O-C 3.54Å; I178-V305 VanDerWaalsContact O-CA 3.27Å; I178-V305 WeakPolarHBondContact O-CA 3.38Å; N180-V305 HydrophobicContact CB-CG1 4.03Å; R293-V305 CarbonylContact C-O 3.53Å; R293-V305 WeakPolarHBondContact CA-O 3.29Å; E294-V305 PolarHBondContact N-O 3.37Å; E294-V305 PolarHBondContact O-N 3.15Å; I296-V305 HydrophobicContact CD1-CG2 3.82Å; I296-V305 HydrophobicContact CG1-CG2 4.43Å; I303-V305 HydrophobicContact CG2-CG2 3.89Å |
| 306 | I | 98.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 113.4 | 164.6 | -61 | 167.4 | 0 | 0 | 0 | 107.1 | V177 I178 I179 N180 L291 E292 R293 T326 L329 F330 I333 | V177-I306 HydrophobicContact CG1-CD1 4.24Å; I178-I306 PolarHBondContact O-N 3.47Å; I179-I306 CarbonylContact C-O 3.34Å; I179-I306 WeakPolarHBondContact CA-O 3.3Å; I179-I306 HydrophobicContact CD1-CB 3.88Å; I179-I306 HydrophobicContact CD1-CD1 3.79Å; I179-I306 HydrophobicContact CD1-CG1 4.22Å; N180-I306 PolarHBondContact N-O 2.8Å; L291-I306 HydrophobicContact CD1-CG2 4.36Å; E292-I306 CarbonylContact O-C 3.47Å; E292-I306 WeakPolarHBondContact O-CA 3.48Å; R293-I306 HydrophobicContact CB-CG1 4.35Å; I306-T326 HydrophobicContact CG2-CG2 4.02Å; I306-L329 HydrophobicContact CD1-CB 3.84Å; I306-L329 HydrophobicContact CG1-CB 4.28Å; I306-L329 HydrophobicContact CG2-CB 4.33Å; I306-L329 HydrophobicContact CG2-CD1 3.87Å; I306-F330 HydrophobicContact CD1-CB 4.01Å; I306-I333 HydrophobicContact CD1-CD1 3.79Å; I306-I333 HydrophobicContact CG1-CD1 4.1Å |
| 307 | H | 98.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 139.2 | 174.8 | -60.9 | -78.3 | 0 | 0 | 0 | 109.5 | N180 R290 L291 E292 E294 Y309 | N180-H307 PolarHBondContact ND2-ND1 2.88Å; N180-H307 VanDerWaalsContact ND2-ND1 3.15Å; R290-H307 HydrophobicContact CG-CB 4.11Å; R290-H307 CarbonylContact O-C 3.57Å; L291-H307 VanDerWaalsContact CA-O 3.25Å; L291-H307 WeakPolarHBondContact CA-O 3.41Å; L291-H307 VanDerWaalsContact CD1-O 3.22Å; L291-H307 WeakPolarHBondContact CD1-O 3.35Å; E292-H307 PolarHBondContact N-O 3.49Å; E292-H307 PolarHBondContact O-N 2.86Å; E294-H307 IonicContact OE2-CD2 3.3Å; E294-H307 IonicContact OE2-CE1 3.87Å; E294-H307 IonicContact OE2-NE2 2.78Å; E294-H307 PolarHBondContact OE2-NE2 2.98Å; E294-H307 VanDerWaalsContact OE2-NE2 3.11Å; H307-Y309 HydrophobicContact CB-CD1 4.1Å; H307-Y309 HydrophobicContact CB-CE1 3.84Å; H307-Y309 AromaticContact ND1-CE1 3.67Å |
| 308 | N | 98.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 83.7 | 170.3 | -174 | -2.1 | 0 | 0 | 0 | 108.4 | I11 N180 C181 R290 L291 H311 C322 T326 | I11-N308 HydrophobicContact CG2-CB 4.15Å; I11-N308 VanDerWaalsContact CG2-CG 3.43Å; I11-N308 WeakPolarHBondContact CG2-ND2 3.37Å; I11-N308 WeakPolarHBondContact CG2-O 3.46Å; I11-N308 WeakPolarHBondContact CG2-OD1 3.36Å; N180-N308 CarbonylContact O-C 3.11Å; N180-N308 PolarHBondContact O-N 2.96Å; C181-N308 WeakPolarHBondContact CA-O 3.39Å; R290-N308 VanDerWaalsContact O-CA 3.26Å; R290-N308 WeakPolarHBondContact O-CA 3.23Å; R290-N308 PolarHBondContact O-N 3.44Å; L291-N308 HydrophobicContact CD1-CB 3.84Å; N308-H311 PolarHBondContact OD1-CE1 3.07Å; N308-H311 VanDerWaalsContact OD1-CE1 3.23Å; N308-H311 PolarHBondContact OD1-NE2 3.1Å; N308-C322 PolarHBondContact ND2-O 2.85Å; N308-T326 PolarHBondContact ND2-OG1 3.2Å |
| 309 | Y | 98.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 0% | 0.004 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 176.1 | -179.8 | 67.6 | -96.2 | 0 | 0 | 0 | 111.4 | S186 D192 L195 R290 H307 H311 | S186-Y309 WeakPolarHBondContact OG-CB 3.44Å; S186-Y309 VanDerWaalsContact OG-CD1 3.22Å; S186-Y309 WeakPolarHBondContact OG-CD1 3.47Å; S186-Y309 VanDerWaalsContact OG-CD2 3.27Å; S186-Y309 WeakPolarHBondContact OG-CD2 3.26Å; D192-Y309 WeakPolarHBondContact OD2-CE2 3.3Å; D192-Y309 PolarHBondContact OD2-OH 3.47Å; L195-Y309 HydrophobicContact CD1-CD2 4.27Å; L195-Y309 HydrophobicContact CD2-CD2 4.07Å; L195-Y309 HydrophobicContact CD2-CE2 3.96Å; R290-Y309 HydrophobicContact CB-CE1 4.21Å; R290-Y309 HydrophobicContact CB-CE2 4.14Å; R290-Y309 WeakPolarHBondContact CD-OH 3.45Å; R290-Y309 HydrophobicContact CG-CE1 4.38Å; R290-Y309 PolarHBondContact N-O 3.39Å; R290-Y309 PolarHBondContact NH1-OH 3.38Å; R290-Y309 PolarHBondContact O-N 3.03Å; R290-Y309 VanDerWaalsContact O-N 3.16Å; H307-Y309 HydrophobicContact CB-CD1 4.1Å; H307-Y309 HydrophobicContact CB-CE1 3.84Å; H307-Y309 AromaticContact ND1-CE1 3.67Å; Y309-H311 WeakPolarHBondContact CA-CE1 3.29Å |
| 310 | G | 98.6 | Very high | 96.4 | Very high | 2 Ų | 2 | 15.9 Ų | 15.9 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | trans | 90 | 26.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | P284 G312 | P284-G310 CarbonylContact O-C 3.09Å; P284-G310 WeakPolarHBondContact O-CA 3.29Å; G310-G312 VanDerWaalsContact C-N 3.26Å; G310-G312 PolarHBondContact O-N 3.34Å | ||
| 311 | H | 98.6 | Very high | 97.3 | Very high | 4 Ų | 4 | 11.6 Ų | 11.6 | 2% | 0.019 | 8% | 0.077 | C | C | . | . | trans | -80.5 | 8 | -173.9 | -46.2 | 83.2 | 0 | 0 | 0 | 115.6 | P284 N308 Y309 G313 F314 I318 | P284-H311 PolarHBondContact O-N 3.33Å; N308-H311 PolarHBondContact OD1-CE1 3.07Å; N308-H311 VanDerWaalsContact OD1-CE1 3.23Å; N308-H311 PolarHBondContact OD1-NE2 3.1Å; Y309-H311 WeakPolarHBondContact CA-CE1 3.29Å; H311-G313 PolarHBondContact O-N 3.42Å; H311-F314 WeakPolarHBondContact O-CD1 3.42Å; H311-F314 WeakPolarHBondContact O-CE1 3.31Å; H311-F314 WeakPolarHBondContact O-CG 3.49Å; H311-F314 PolarHBondContact O-N 2.64Å; H311-I318 HydrophobicContact CB-CG2 4.28Å | ||
| 312 | G | 97.6 | Very high | 98 | Very high | 8 Ų | 8 | 9.6 Ų | 9.6 | 8% | 0.082 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | -130.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | P284 G310 | P284-G312 WeakPolarHBondContact O-CA 3.4Å; P284-G312 PolarHBondContact O-N 3.31Å; G310-G312 VanDerWaalsContact C-N 3.26Å; G310-G312 PolarHBondContact O-N 3.34Å |
| 313 | G | 96.9 | Very high | 98.4 | Very high | 26 Ų | 26 | 6.1 Ų | 6.1 | 27% | 0.268 | 4% | 0.042 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 9.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y55 H311 | Y55-G313 PolarHBondContact OH-N 3.47Å; H311-G313 PolarHBondContact O-N 3.42Å |
| 314 | F | 97.4 | Very high | 98.5 | Very high | 13 Ų | 13 | 8.8 Ų | 8.8 | 6% | 0.057 | 5% | 0.054 | C | C | . | . | trans | -127.6 | 23.5 | -172.6 | 57.8 | -93.1 | 0 | 0 | 0 | 113.1 | Y55 V289 H311 L316 T317 I318 | Y55-F314 HydrophobicContact CD1-CD1 4.23Å; Y55-F314 AromaticContact CD2-CD1 3.87Å; Y55-F314 HydrophobicContact CD2-CD1 3.87Å; Y55-F314 AromaticContact CD2-CE1 3.72Å; Y55-F314 HydrophobicContact CD2-CE1 3.72Å; Y55-F314 AromaticContact CE1-CD1 3.97Å; Y55-F314 HydrophobicContact CE1-CD1 3.97Å; Y55-F314 AromaticContact CE2-CD1 3.61Å; Y55-F314 HydrophobicContact CE2-CD1 3.61Å; Y55-F314 AromaticContact CE2-CE1 3.41Å; Y55-F314 HydrophobicContact CE2-CE1 3.41Å; Y55-F314 VanDerWaalsContact CE2-CE1 3.41Å; Y55-F314 HydrophobicContact CG-CD1 4.19Å; Y55-F314 HydrophobicContact CG-CE1 4.46Å; Y55-F314 AromaticContact CZ-CD1 3.66Å; Y55-F314 AromaticContact CZ-CE1 3.9Å; V289-F314 HydrophobicContact CG2-CE2 4.21Å; V289-F314 HydrophobicContact CG2-CZ 4.43Å; H311-F314 WeakPolarHBondContact O-CD1 3.42Å; H311-F314 WeakPolarHBondContact O-CE1 3.31Å; H311-F314 WeakPolarHBondContact O-CG 3.49Å; H311-F314 PolarHBondContact O-N 2.64Å; F314-L316 PolarHBondContact O-N 3.16Å; F314-T317 WeakPolarHBondContact O-CA 3.25Å; F314-T317 WeakPolarHBondContact O-CB 3.49Å; F314-T317 PolarHBondContact O-N 3.1Å; F314-I318 HydrophobicContact CD2-CB 4.1Å; F314-I318 HydrophobicContact CD2-CD1 4.13Å; F314-I318 HydrophobicContact CD2-CG2 3.95Å; F314-I318 HydrophobicContact CE2-CD1 3.79Å; F314-I318 HydrophobicContact CE2-CG2 4.26Å; F314-I318 WeakPolarHBondContact O-CG2 3.39Å; F314-I318 PolarHBondContact O-N 3.18Å; F314-I318 VanDerWaalsContact O-N 3.13Å | ||
| 315 | G | 98.6 | Very high | 98.6 | Very high | 15 Ų | 15 | 9.7 Ų | 9.7 | 16% | 0.155 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -55.1 | -45 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | T317 I318 H319 | G315-T317 VanDerWaalsContact C-N 3.3Å; G315-T317 PolarHBondContact O-N 2.86Å; G315-I318 PolarHBondContact O-N 2.92Å; G315-H319 VanDerWaalsContact O-CB 3.31Å; G315-H319 WeakPolarHBondContact O-CB 3.23Å; G315-H319 PolarHBondContact O-N 3.38Å; G315-H319 VanDerWaalsContact O-N 3.09Å |
| 316 | L | 98.8 | Very high | 98.6 | Very high | 14 Ų | 14 | 9.7 Ų | 9.7 | 7% | 0.073 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -64.7 | -35.2 | 174.2 | -70.9 | 174.5 | 0 | 0 | 0 | 112.2 | V10 A48 V139 F314 I318 H319 | V10-L316 HydrophobicContact CB-CD2 4.06Å; V10-L316 HydrophobicContact CG1-CD2 4.17Å; V10-L316 HydrophobicContact CG2-CD2 3.92Å; A48-L316 HydrophobicContact CB-CD1 3.51Å; A48-L316 HydrophobicContact CB-CG 4.26Å; V139-L316 HydrophobicContact CG1-CD2 4.29Å; V139-L316 WeakPolarHBondContact O-CD1 3.35Å; F314-L316 PolarHBondContact O-N 3.16Å; L316-I318 VanDerWaalsContact C-N 3.3Å; L316-I318 PolarHBondContact O-N 3.46Å; L316-H319 PolarHBondContact O-ND1 2.88Å |
| 317 | T | 98.9 | Very high | 98.6 | Very high | 3 Ų | 3 | 9.7 Ų | 9.7 | 2% | 0.018 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -65.6 | -31.1 | -179.7 | -48.3 | 0 | 0 | 0 | 0 | 112.8 | W52 Q53 P54 N68 T71 F314 G315 | W52-T317 HydrophobicContact CD2-CG2 3.78Å; W52-T317 VanDerWaalsContact CE2-CG2 3.46Å; W52-T317 HydrophobicContact CE3-CG2 4.46Å; W52-T317 HydrophobicContact CG-CG2 3.99Å; W52-T317 HydrophobicContact CZ2-CG2 3.87Å; W52-T317 PolarHBondContact NE1-O 3.44Å; Q53-T317 PolarHBondContact N-OG1 3.03Å; Q53-T317 PolarHBondContact O-OG1 2.69Å; P54-T317 HydrophobicContact CB-CG2 4.41Å; P54-T317 HydrophobicContact CG-CG2 3.69Å; N68-T317 WeakPolarHBondContact OD1-CG2 3.32Å; T71-T317 WeakPolarHBondContact CB-O 3.2Å; T71-T317 WeakPolarHBondContact CG2-O 3.46Å; F314-T317 WeakPolarHBondContact O-CA 3.25Å; F314-T317 WeakPolarHBondContact O-CB 3.49Å; F314-T317 PolarHBondContact O-N 3.1Å; G315-T317 VanDerWaalsContact C-N 3.3Å; G315-T317 PolarHBondContact O-N 2.86Å |
| 318 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -115.5 | -9.4 | -168.1 | -155.3 | 169.4 | 0 | 0 | 0 | 114.7 | E64 W67 N68 T71 H311 F314 G315 L316 R320 G321 C322 | E64-I318 HydrophobicContact CB-CD1 3.91Å; E64-I318 HydrophobicContact CG-CD1 3.94Å; W67-I318 HydrophobicContact CB-CD1 4.01Å; W67-I318 HydrophobicContact CB-CG1 3.53Å; W67-I318 HydrophobicContact CE3-CD1 3.99Å; N68-I318 VanDerWaalsContact OD1-CB 3.26Å; N68-I318 WeakPolarHBondContact OD1-CB 3.44Å; N68-I318 WeakPolarHBondContact OD1-CG1 3.44Å; T71-I318 PolarHBondContact OG1-O 3.42Å; H311-I318 HydrophobicContact CB-CG2 4.28Å; F314-I318 HydrophobicContact CD2-CB 4.1Å; F314-I318 HydrophobicContact CD2-CD1 4.13Å; F314-I318 HydrophobicContact CD2-CG2 3.95Å; F314-I318 HydrophobicContact CE2-CD1 3.79Å; F314-I318 HydrophobicContact CE2-CG2 4.26Å; F314-I318 WeakPolarHBondContact O-CG2 3.39Å; F314-I318 PolarHBondContact O-N 3.18Å; F314-I318 VanDerWaalsContact O-N 3.13Å; G315-I318 PolarHBondContact O-N 2.92Å; L316-I318 VanDerWaalsContact C-N 3.3Å; L316-I318 PolarHBondContact O-N 3.46Å; I318-R320 VanDerWaalsContact C-N 3.27Å; I318-R320 PolarHBondContact O-N 3.43Å; I318-G321 PolarHBondContact O-N 2.93Å; I318-C322 PolarHBondContact O-N 3.05Å |
| 319 | H | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -54.6 | -34.4 | -164 | 71.1 | -81.7 | 0 | 0 | 0 | 115.5 | V10 I11 S14 T71 Y144 G315 L316 A323 | V10-H319 HydrophobicContact CG1-CB 4.13Å; V10-H319 HydrophobicContact CG2-CB 3.74Å; I11-H319 HydrophobicContact CD1-CB 3.85Å; S14-H319 PolarHBondContact OG-O 2.69Å; S14-H319 VanDerWaalsContact OG-O 3.09Å; T71-H319 VanDerWaalsContact CG2-CE1 3.5Å; T71-H319 WeakPolarHBondContact CG2-CE1 3.33Å; T71-H319 WeakPolarHBondContact CG2-ND1 3.45Å; Y144-H319 AromaticContact CE1-CD2 3.98Å; Y144-H319 AromaticContact CE1-CE1 3.74Å; Y144-H319 AromaticContact CE1-NE2 3.37Å; Y144-H319 WeakPolarHBondContact CE1-NE2 3.45Å; Y144-H319 AromaticContact CZ-NE2 3.53Å; Y144-H319 PolarHBondContact OH-NE2 2.86Å; G315-H319 VanDerWaalsContact O-CB 3.31Å; G315-H319 WeakPolarHBondContact O-CB 3.23Å; G315-H319 PolarHBondContact O-N 3.38Å; G315-H319 VanDerWaalsContact O-N 3.09Å; L316-H319 PolarHBondContact O-ND1 2.88Å; H319-A323 VanDerWaalsContact O-CB 3.24Å; H319-A323 WeakPolarHBondContact O-CB 3.25Å; H319-A323 PolarHBondContact O-N 2.74Å |
| 320 | R | 98.8 | Very high | 98.6 | Very high | 19 Ų | 19 | 15.7 Ų | 15.7 | 7% | 0.072 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -81.3 | -41.7 | -173.9 | -178.2 | 71.4 | 178.6 | -174.6 | 6 | 111.3 | E21 T71 Y74 I318 A323 Q324 | E21-R320 IonicContact OE1-NH1 3.3Å; E21-R320 IonicContact OE2-CZ 2.89Å; E21-R320 VanDerWaalsContact OE2-CZ 3.26Å; E21-R320 IonicContact OE2-NH1 3.87Å; E21-R320 PolarHBondContact OE2-NH1 3.26Å; E21-R320 IonicContact OE2-NH2 3.98Å; E21-R320 PolarHBondContact OE2-NH2 3.13Å; T71-R320 HydrophobicContact CG2-CB 3.98Å; T71-R320 PolarHBondContact OG1-N 2.78Å; T71-R320 VanDerWaalsContact OG1-N 3.13Å; Y74-R320 HydrophobicContact CD1-CB 4.11Å; Y74-R320 HydrophobicContact CD1-CG 3.75Å; Y74-R320 HydrophobicContact CD2-CG 4.02Å; Y74-R320 VanDerWaalsContact CD2-NE 3.34Å; Y74-R320 HydrophobicContact CE1-CG 4.36Å; Y74-R320 HydrophobicContact CG-CB 4.35Å; Y74-R320 HydrophobicContact CG-CG 3.57Å; I318-R320 VanDerWaalsContact C-N 3.27Å; I318-R320 PolarHBondContact O-N 3.43Å; R320-A323 WeakPolarHBondContact O-CB 3.34Å; R320-A323 PolarHBondContact O-N 3.36Å; R320-A323 VanDerWaalsContact O-N 3.13Å; R320-Q324 WeakPolarHBondContact O-CG 3.26Å; R320-Q324 PolarHBondContact O-N 2.99Å |
| 321 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.1 | -44.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E70 T71 I318 A323 Q324 E325 | E70-G321 VanDerWaalsContact OE2-CA 3.26Å; E70-G321 WeakPolarHBondContact OE2-CA 3.34Å; T71-G321 PolarHBondContact OG1-N 3.47Å; I318-G321 PolarHBondContact O-N 2.93Å; G321-A323 VanDerWaalsContact C-N 3.3Å; G321-A323 PolarHBondContact O-N 3.2Å; G321-Q324 PolarHBondContact O-N 2.65Å; G321-E325 PolarHBondContact O-N 2.84Å |
| 322 | C | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.8 | -34.8 | 173.1 | -67 | 0 | 0 | 0 | 0 | 112.9 | W67 L291 N308 I318 T326 | W67-C322 VanDerWaalsContact CE3-SG 3.52Å; L291-C322 HydrophobicContact CD2-CB 3.83Å; N308-C322 PolarHBondContact ND2-O 2.85Å; I318-C322 PolarHBondContact O-N 3.05Å; C322-T326 WeakPolarHBondContact O-CB 3.48Å; C322-T326 PolarHBondContact O-N 3.04Å; C322-T326 PolarHBondContact O-OG1 2.87Å |
| 323 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -69.9 | -36.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S14 S18 H319 R320 G321 T326 A327 | S14-A323 VanDerWaalsContact C-CB 3.45Å; S14-A323 WeakPolarHBondContact O-CB 3.45Å; S18-A323 VanDerWaalsContact CB-O 3.26Å; S18-A323 WeakPolarHBondContact CB-O 3.22Å; S18-A323 VanDerWaalsContact OG-C 3.32Å; S18-A323 PolarHBondContact OG-O 2.85Å; H319-A323 VanDerWaalsContact O-CB 3.24Å; H319-A323 WeakPolarHBondContact O-CB 3.25Å; H319-A323 PolarHBondContact O-N 2.74Å; R320-A323 WeakPolarHBondContact O-CB 3.34Å; R320-A323 PolarHBondContact O-N 3.36Å; R320-A323 VanDerWaalsContact O-N 3.13Å; G321-A323 VanDerWaalsContact C-N 3.3Å; G321-A323 PolarHBondContact O-N 3.2Å; A323-T326 PolarHBondContact O-N 3.08Å; A323-A327 PolarHBondContact O-N 3.08Å |
| 324 | Q | 98.8 | Very high | 98.3 | Very high | 63 Ų | 63 | 18.8 Ų | 18.8 | 29% | 0.294 | 9% | 0.09 | S | C | . | . | H | α-helix | trans | -63.6 | -43.5 | 173.3 | -74.7 | 176.1 | -30.4 | 0 | 0 | 110.9 | S18 E70 R320 G321 A327 R328 | S18-Q324 WeakPolarHBondContact OG-CA 3.21Å; E70-Q324 PolarHBondContact OE2-OE1 3.07Å; R320-Q324 WeakPolarHBondContact O-CG 3.26Å; R320-Q324 PolarHBondContact O-N 2.99Å; G321-Q324 PolarHBondContact O-N 2.65Å; Q324-A327 PolarHBondContact O-N 2.82Å; Q324-R328 PolarHBondContact O-N 3.12Å |
| 325 | E | 98.9 | Very high | 98.1 | Very high | 36 Ų | 36 | 21.8 Ų | 21.8 | 17% | 0.168 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66.8 | -38 | 175.4 | 176.5 | 61.9 | -162.4 | 0 | 0 | 112.6 | W67 L291 G321 A327 R328 L329 | W67-E325 HydrophobicContact CZ2-CB 4.3Å; W67-E325 HydrophobicContact CZ2-CG 3.89Å; L291-E325 HydrophobicContact CD2-CB 3.7Å; L291-E325 HydrophobicContact CD2-CG 3.54Å; L291-E325 HydrophobicContact CG-CB 4.48Å; L291-E325 HydrophobicContact CG-CG 3.85Å; G321-E325 PolarHBondContact O-N 2.84Å; E325-A327 VanDerWaalsContact C-N 3.32Å; E325-A327 PolarHBondContact O-N 3.12Å; E325-R328 VanDerWaalsContact CD-NE 3.27Å; E325-R328 WeakPolarHBondContact O-CB 3.41Å; E325-R328 PolarHBondContact O-N 3.38Å; E325-R328 VanDerWaalsContact O-N 3.17Å; E325-R328 IonicContact OE1-CZ 2.71Å; E325-R328 VanDerWaalsContact OE1-CZ 3.26Å; E325-R328 IonicContact OE1-NE 3.94Å; E325-R328 PolarHBondContact OE1-NE 3.48Å; E325-R328 IonicContact OE1-NH2 2.93Å; E325-R328 PolarHBondContact OE1-NH2 3.1Å; E325-R328 WeakPolarHBondContact OE2-CD 3.14Å; E325-R328 IonicContact OE2-CZ 3.5Å; E325-R328 IonicContact OE2-NE 3.76Å; E325-R328 PolarHBondContact OE2-NE 3.42Å; E325-R328 IonicContact OE2-NH2 3.79Å; E325-L329 WeakPolarHBondContact O-CG 3.36Å; E325-L329 PolarHBondContact O-N 3.17Å |
| 326 | T | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -57.7 | -45.9 | 172.2 | -60.1 | 0 | 0 | 0 | 0 | 111.3 | A15 I19 I179 I306 N308 C322 A323 R328 L329 F330 | A15-T326 HydrophobicContact CB-CG2 4.06Å; I19-T326 HydrophobicContact CD1-CG2 4.24Å; I179-T326 HydrophobicContact CD1-CG2 4.19Å; I179-T326 HydrophobicContact CG2-CG2 3.69Å; I306-T326 HydrophobicContact CG2-CG2 4.02Å; N308-T326 PolarHBondContact ND2-OG1 3.2Å; C322-T326 WeakPolarHBondContact O-CB 3.48Å; C322-T326 PolarHBondContact O-N 3.04Å; C322-T326 PolarHBondContact O-OG1 2.87Å; A323-T326 PolarHBondContact O-N 3.08Å; T326-R328 VanDerWaalsContact C-N 3.35Å; T326-L329 PolarHBondContact O-N 3.4Å; T326-F330 PolarHBondContact O-N 2.85Å |
| 327 | A | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.4 | -39.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S18 I19 Y23 A323 Q324 E325 L329 F330 G331 | S18-A327 WeakPolarHBondContact OG-CB 2.96Å; I19-A327 HydrophobicContact CG1-CB 4.17Å; Y23-A327 HydrophobicContact CE2-CB 4.11Å; Y23-A327 WeakPolarHBondContact CE2-O 3.17Å; Y23-A327 PolarHBondContact OH-O 3.32Å; A323-A327 PolarHBondContact O-N 3.08Å; Q324-A327 PolarHBondContact O-N 2.82Å; E325-A327 VanDerWaalsContact C-N 3.32Å; E325-A327 PolarHBondContact O-N 3.12Å; A327-L329 PolarHBondContact O-N 3.15Å; A327-F330 WeakPolarHBondContact O-CB 3.27Å; A327-F330 PolarHBondContact O-N 3.15Å; A327-G331 PolarHBondContact O-N 2.99Å |
| 328 | R | 98.6 | Very high | 95.8 | Very high | 115 Ų | 115 | 31.4 Ų | 31.4 | 43% | 0.434 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -59.1 | -46.5 | 174.1 | -167.7 | -166.9 | 72.6 | 87 | 5.2 | 112 | Q324 E325 T326 F330 G331 Q332 | Q324-R328 PolarHBondContact O-N 3.12Å; E325-R328 VanDerWaalsContact CD-NE 3.27Å; E325-R328 WeakPolarHBondContact O-CB 3.41Å; E325-R328 PolarHBondContact O-N 3.38Å; E325-R328 VanDerWaalsContact O-N 3.17Å; E325-R328 IonicContact OE1-CZ 2.71Å; E325-R328 VanDerWaalsContact OE1-CZ 3.26Å; E325-R328 IonicContact OE1-NE 3.94Å; E325-R328 PolarHBondContact OE1-NE 3.48Å; E325-R328 IonicContact OE1-NH2 2.93Å; E325-R328 PolarHBondContact OE1-NH2 3.1Å; E325-R328 WeakPolarHBondContact OE2-CD 3.14Å; E325-R328 IonicContact OE2-CZ 3.5Å; E325-R328 IonicContact OE2-NE 3.76Å; E325-R328 PolarHBondContact OE2-NE 3.42Å; E325-R328 IonicContact OE2-NH2 3.79Å; T326-R328 VanDerWaalsContact C-N 3.35Å; R328-F330 VanDerWaalsContact C-N 3.34Å; R328-G331 PolarHBondContact O-N 3.17Å; R328-Q332 PolarHBondContact O-N 2.68Å |
| 329 | L | 98.8 | Very high | 93.8 | Very high | 12 Ų | 12 | 39.5 Ų | 39.5 | 6% | 0.063 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.1 | -39.9 | 175.7 | -67.8 | 175.6 | 0 | 0 | 0 | 111.7 | L291 I306 E325 T326 A327 G331 Q332 I333 | L291-L329 HydrophobicContact CD1-CD1 4.22Å; I306-L329 HydrophobicContact CD1-CB 3.84Å; I306-L329 HydrophobicContact CG1-CB 4.28Å; I306-L329 HydrophobicContact CG2-CB 4.33Å; I306-L329 HydrophobicContact CG2-CD1 3.87Å; E325-L329 WeakPolarHBondContact O-CG 3.36Å; E325-L329 PolarHBondContact O-N 3.17Å; T326-L329 PolarHBondContact O-N 3.4Å; A327-L329 PolarHBondContact O-N 3.15Å; L329-G331 VanDerWaalsContact C-N 3.35Å; L329-G331 PolarHBondContact O-N 2.97Å; L329-Q332 WeakPolarHBondContact O-CB 3.41Å; L329-Q332 PolarHBondContact O-N 2.91Å; L329-I333 PolarHBondContact O-N 2.84Å |
| 330 | F | 98.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.5 | -43.8 | 172.9 | 176.6 | -99.2 | 0 | 0 | 0 | 111.9 | M1 V3 I19 Y23 L30 V177 I306 T326 A327 R328 Q332 I333 V334 | M1-F330 HydrophobicContact CE-CE2 4.1Å; M1-F330 HydrophobicContact CE-CZ 4.32Å; M1-F330 HydrophobicContact SD-CZ 4.32Å; V3-F330 HydrophobicContact CG2-CD2 4.31Å; V3-F330 HydrophobicContact CG2-CE2 3.41Å; V3-F330 VanDerWaalsContact CG2-CE2 3.41Å; V3-F330 HydrophobicContact CG2-CZ 3.77Å; I19-F330 HydrophobicContact CG1-CB 4.4Å; I19-F330 HydrophobicContact CG1-CG 4.48Å; I19-F330 HydrophobicContact CG2-CD1 3.95Å; I19-F330 HydrophobicContact CG2-CE1 3.97Å; I19-F330 HydrophobicContact CG2-CG 4.34Å; I19-F330 HydrophobicContact CG2-CZ 4.4Å; Y23-F330 HydrophobicContact CD1-CD1 4.4Å; Y23-F330 HydrophobicContact CD1-CE1 4.39Å; Y23-F330 AromaticContact CD2-CD1 3.62Å; Y23-F330 HydrophobicContact CD2-CD1 3.62Å; Y23-F330 HydrophobicContact CD2-CE1 4.05Å; Y23-F330 AromaticContact CE2-CD1 3.98Å; Y23-F330 HydrophobicContact CE2-CD1 3.98Å; Y23-F330 AromaticContact CG-CD1 3.86Å; Y23-F330 HydrophobicContact CG-CD1 3.86Å; Y23-F330 AromaticContact CG-CE1 3.85Å; Y23-F330 HydrophobicContact CG-CE1 3.85Å; L30-F330 HydrophobicContact CD1-CE1 4.48Å; L30-F330 HydrophobicContact CD1-CZ 3.98Å; V177-F330 HydrophobicContact CB-CD2 4.32Å; V177-F330 HydrophobicContact CB-CE2 4.25Å; V177-F330 HydrophobicContact CG1-CD2 4.17Å; V177-F330 HydrophobicContact CG2-CD2 4.17Å; V177-F330 HydrophobicContact CG2-CE2 3.96Å; I306-F330 HydrophobicContact CD1-CB 4.01Å; T326-F330 PolarHBondContact O-N 2.85Å; A327-F330 WeakPolarHBondContact O-CB 3.27Å; A327-F330 PolarHBondContact O-N 3.15Å; R328-F330 VanDerWaalsContact C-N 3.34Å; F330-Q332 VanDerWaalsContact C-N 3.26Å; F330-Q332 PolarHBondContact O-N 2.88Å; F330-I333 WeakPolarHBondContact O-CA 3.14Å; F330-I333 WeakPolarHBondContact O-CB 3.34Å; F330-I333 PolarHBondContact O-N 2.91Å; F330-V334 HydrophobicContact CD1-CG2 3.92Å; F330-V334 HydrophobicContact CE1-CG2 3.48Å; F330-V334 VanDerWaalsContact CE1-CG2 3.48Å; F330-V334 HydrophobicContact CE2-CG2 4.42Å; F330-V334 HydrophobicContact CZ-CG2 3.76Å; F330-V334 WeakPolarHBondContact O-CG2 3.5Å; F330-V334 PolarHBondContact O-N 2.93Å |
| 331 | G | 97.9 | Very high | 88.5 | Confident | 6 Ų | 6 | 52.9 Ų | 52.9 | 6% | 0.062 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59 | -32.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y23 A327 R328 L329 I333 V334 T335 | Y23-G331 VanDerWaalsContact CZ-CA 3.45Å; Y23-G331 VanDerWaalsContact OH-CA 3.22Å; Y23-G331 WeakPolarHBondContact OH-CA 3.39Å; A327-G331 PolarHBondContact O-N 2.99Å; R328-G331 PolarHBondContact O-N 3.17Å; L329-G331 VanDerWaalsContact C-N 3.35Å; L329-G331 PolarHBondContact O-N 2.97Å; G331-I333 VanDerWaalsContact C-N 3.35Å; G331-V334 PolarHBondContact O-N 3.12Å; G331-T335 WeakPolarHBondContact O-CB 3.44Å; G331-T335 PolarHBondContact O-N 3.17Å; G331-T335 PolarHBondContact O-OG1 3.37Å |
| 332 | Q | 97.4 | Very high | 85.8 | Confident | 71 Ų | 71 | 62.6 Ų | 62.6 | 33% | 0.332 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.7 | -41 | 172.8 | -62.3 | 178.5 | -3.6 | 0 | 0 | 111.3 | R328 L329 F330 T335 Q336 | R328-Q332 PolarHBondContact O-N 2.68Å; L329-Q332 WeakPolarHBondContact O-CB 3.41Å; L329-Q332 PolarHBondContact O-N 2.91Å; F330-Q332 VanDerWaalsContact C-N 3.26Å; F330-Q332 PolarHBondContact O-N 2.88Å; Q332-T335 PolarHBondContact O-N 3.15Å; Q332-Q336 WeakPolarHBondContact O-CB 3.14Å; Q332-Q336 VanDerWaalsContact O-CG 3.29Å; Q332-Q336 WeakPolarHBondContact O-CG 3.5Å; Q332-Q336 PolarHBondContact O-N 2.96Å |
| 333 | I | 95.9 | Very high | 82.9 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.2 | -46.8 | 175.5 | -59 | 169 | 0 | 0 | 0 | 110.1 | M1 V177 R293 E304 I306 L329 F330 G331 T335 Q336 K337 | M1-I333 HydrophobicContact CE-CG2 4.16Å; V177-I333 HydrophobicContact CG1-CD1 3.76Å; V177-I333 HydrophobicContact CG2-CD1 4Å; V177-I333 HydrophobicContact CG2-CG2 3.89Å; R293-I333 HydrophobicContact CG-CD1 4.48Å; R293-I333 VanDerWaalsContact CZ-CG1 3.48Å; E304-I333 HydrophobicContact CB-CD1 4.34Å; I306-I333 HydrophobicContact CD1-CD1 3.79Å; I306-I333 HydrophobicContact CG1-CD1 4.1Å; L329-I333 PolarHBondContact O-N 2.84Å; F330-I333 WeakPolarHBondContact O-CA 3.14Å; F330-I333 WeakPolarHBondContact O-CB 3.34Å; F330-I333 PolarHBondContact O-N 2.91Å; G331-I333 VanDerWaalsContact C-N 3.35Å; I333-T335 VanDerWaalsContact C-N 3.31Å; I333-T335 PolarHBondContact O-N 3.07Å; I333-Q336 PolarHBondContact O-N 2.88Å; I333-K337 HydrophobicContact CG2-CD 4.07Å; I333-K337 HydrophobicContact CG2-CG 4.3Å; I333-K337 WeakPolarHBondContact O-CB 3.37Å; I333-K337 PolarHBondContact O-N 2.77Å |
| 334 | V | 94.9 | Very high | 80 | Confident | 27 Ų | 27 | 78.5 Ų | 78.5 | 16% | 0.164 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -54.9 | -48.5 | 176.9 | 174.4 | 0 | 0 | 0 | 0 | 110.5 | M1 V27 F330 G331 Q336 K337 G338 | M1-V334 HydrophobicContact CE-CG2 4.45Å; M1-V334 HydrophobicContact SD-CB 4.45Å; M1-V334 HydrophobicContact SD-CG2 3.74Å; V27-V334 HydrophobicContact CG2-CG1 3.74Å; V27-V334 HydrophobicContact CG2-CG2 3.92Å; F330-V334 HydrophobicContact CD1-CG2 3.92Å; F330-V334 HydrophobicContact CE1-CG2 3.48Å; F330-V334 VanDerWaalsContact CE1-CG2 3.48Å; F330-V334 HydrophobicContact CE2-CG2 4.42Å; F330-V334 HydrophobicContact CZ-CG2 3.76Å; F330-V334 WeakPolarHBondContact O-CG2 3.5Å; F330-V334 PolarHBondContact O-N 2.93Å; G331-V334 PolarHBondContact O-N 3.12Å; V334-Q336 PolarHBondContact O-N 2.83Å; V334-K337 PolarHBondContact O-N 3.36Å; V334-G338 PolarHBondContact O-N 3.39Å |
| 335 | T | 93.5 | Very high | 77 | Confident | 77 Ų | 77 | 87.2 Ų | 87.2 | 47% | 0.472 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.4 | -42.8 | -179.6 | -57 | 0 | 0 | 0 | 0 | 111.9 | G331 Q332 I333 G338 K339 | G331-T335 WeakPolarHBondContact O-CB 3.44Å; G331-T335 PolarHBondContact O-N 3.17Å; G331-T335 PolarHBondContact O-OG1 3.37Å; Q332-T335 PolarHBondContact O-N 3.15Å; I333-T335 VanDerWaalsContact C-N 3.31Å; I333-T335 PolarHBondContact O-N 3.07Å; T335-G338 PolarHBondContact O-N 3.12Å; T335-K339 HydrophobicContact CG2-CD 4.37Å; T335-K339 WeakPolarHBondContact O-CG 3.45Å; T335-K339 PolarHBondContact O-N 3.33Å; T335-K339 VanDerWaalsContact O-N 3.15Å |
| 336 | Q | 90.7 | Very high | 75.9 | Confident | 100 Ų | 100 | 89.8 Ų | 89.8 | 47% | 0.467 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -68 | -43.2 | 179.2 | -73.7 | 175.3 | 2.6 | 0 | 0 | 112.3 | R293 Q332 I333 V334 K339 | R293-Q336 VanDerWaalsContact CZ-OE1 3.26Å; R293-Q336 VanDerWaalsContact NH1-CD 3.32Å; Q332-Q336 WeakPolarHBondContact O-CB 3.14Å; Q332-Q336 VanDerWaalsContact O-CG 3.29Å; Q332-Q336 WeakPolarHBondContact O-CG 3.5Å; Q332-Q336 PolarHBondContact O-N 2.96Å; I333-Q336 PolarHBondContact O-N 2.88Å; V334-Q336 PolarHBondContact O-N 2.83Å; Q336-K339 PolarHBondContact O-N 3.31Å |
| 337 | K | 84.3 | Confident | 74.7 | Confident | 68 Ų | 68 | 94.5 Ų | 94.5 | 30% | 0.296 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.6 | -35.4 | 176.5 | -74.7 | -172.2 | 172.9 | -176.4 | 0 | 111.6 | M1 D176 I333 V334 K339 R340 | M1-K337 HydrophobicContact CE-CD 3.99Å; D176-K337 PolarHBondContact O-NZ 3.01Å; D176-K337 IonicContact OD1-NZ 3.11Å; I333-K337 HydrophobicContact CG2-CD 4.07Å; I333-K337 HydrophobicContact CG2-CG 4.3Å; I333-K337 WeakPolarHBondContact O-CB 3.37Å; I333-K337 PolarHBondContact O-N 2.77Å; V334-K337 PolarHBondContact O-N 3.36Å; K337-K339 VanDerWaalsContact C-N 3.33Å; K337-K339 PolarHBondContact O-N 2.98Å; K337-R340 PolarHBondContact O-N 3.23Å |
| 338 | G | 71.8 | Confident | 73.3 | Confident | 66 Ų | 66 | 99.7 Ų | 99.7 | 68% | 0.68 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -69.7 | -23.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115 | V334 T335 | V334-G338 PolarHBondContact O-N 3.39Å; T335-G338 PolarHBondContact O-N 3.12Å |
| 339 | K | 57.4 | Low | 71.9 | Confident | 169 Ų | 169 | 98.8 Ų | 98.8 | 74% | 0.735 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -8.4 | 176.2 | -75.9 | -179.9 | 178.8 | -175.8 | 0 | 114.4 | T335 Q336 K337 | T335-K339 HydrophobicContact CG2-CD 4.37Å; T335-K339 WeakPolarHBondContact O-CG 3.45Å; T335-K339 PolarHBondContact O-N 3.33Å; T335-K339 VanDerWaalsContact O-N 3.15Å; Q336-K339 PolarHBondContact O-N 3.31Å; K337-K339 VanDerWaalsContact C-N 3.33Å; K337-K339 PolarHBondContact O-N 2.98Å |
| 340 | R | 47.7 | Very low | 70.2 | Confident | 178 Ų | 178 | 104.3 Ų | 104.3 | 67% | 0.672 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -67.8 | 128.3 | 173.6 | -71.2 | -174.4 | 179.1 | -175.7 | 0.1 | 108.3 | K337 K342 | K337-R340 PolarHBondContact O-N 3.23Å; R340-K342 PolarHBondContact O-N 3.03Å |
| 341 | P | 39.1 | Very low | 68.3 | Low | 122 Ų | 122 | 111.2 Ų | 111.2 | 79% | 0.792 | 57% | 0.568 | S | S | * | * | trans | -53 | 128.8 | 171.7 | -18.5 | 28.5 | 0 | 0 | 0 | 107.5 | A343 | P341-A343 PolarHBondContact O-N 3.32Š| ||
| 342 | K | 41.4 | Very low | 66.2 | Low | 204 Ų | 204 | 118.7 Ų | 118.7 | 89% | 0.887 | 60% | 0.604 | S | S | * | * | trans | -53.5 | 111.5 | 165.3 | -76.2 | -174.7 | 177.3 | -178.8 | 0 | 105.4 | R340 R344 | R340-K342 PolarHBondContact O-N 3.03Å; K342-R344 PolarHBondContact O-N 2.64Å | ||
| 343 | A | 39.2 | Very low | 63.8 | Low | 91 Ų | 91 | 122.4 Ų | 122.4 | 75% | 0.752 | 63% | 0.625 | S | S | * | * | trans | -52.4 | 113.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 105.5 | P341 L345 | P341-A343 PolarHBondContact O-N 3.32Å; A343-L345 PolarHBondContact O-N 2.51Å | ||
| 344 | R | 37.6 | Very low | 61.1 | Low | 244 Ų | 244 | 132.6 Ų | 132.6 | 92% | 0.921 | 68% | 0.677 | S | S | * | * | trans | -61.6 | 111 | 173.9 | -76.2 | -179.2 | 173.8 | -177.1 | -2.8 | 105.2 | K342 | K342-R344 PolarHBondContact O-N 2.64Š| ||
| 345 | L | 35.6 | Very low | 58 | Low | 245 Ų | 245 | 142.2 Ų | 142.2 | 100% | 1.283 | 72% | 0.723 | S | S | * | * | trans | -65.8 | 0 | 161.6 | -82.4 | 164 | 0 | 0 | 0 | 108.9 | A343 | A343-L345 PolarHBondContact O-N 2.51Š|
Retrieved 345 of 345 residues in 552.4 ms
(Link to these results)